USER MOD reduce.3.24.130724 H: found=0, std=0, add=1576, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 10 ASN : amide:sc= -4.87! C(o=-4.9!,f=-7.2!) USER MOD Set 1.2: B 85 SER OG : rot 140:sc= 0 USER MOD Set 2.1: B 43 CYS SG : rot 73:sc= 1.21! USER MOD Set 2.2: B 52 SER OG : rot 72:sc= 1.1! USER MOD Set 3.1: A 28 CYS SG : rot -174:sc= 0.576! USER MOD Set 3.2: B 28 CYS SG : rot -173:sc= 0.6! USER MOD Set 4.1: B 16 THR OG1 : rot -89:sc= 0.829 USER MOD Set 4.2: B 53 HIS : no HE2:sc= -0.46 K(o=0.37,f=-5.6!) USER MOD Set 5.1: B 6 THR OG1 : rot 164:sc= 0.836 USER MOD Set 5.2: B 8 HIS : no HD1:sc= 0.789 K(o=1.6,f=-2.2) USER MOD Set 6.1: A 16 THR OG1 : rot -85:sc= 0.876 USER MOD Set 6.2: A 53 HIS : no HE2:sc= -0.531 K(o=0.35,f=-5.4!) USER MOD Set 7.1: A 43 CYS SG : rot 71:sc= 1.12! USER MOD Set 7.2: A 52 SER OG : rot 74:sc= 0.65! USER MOD Set 8.1: A 10 ASN : amide:sc= -5.39! C(o=-5.4!,f=-8.6!) USER MOD Set 8.2: A 85 SER OG : rot 140:sc= 0 USER MOD Set 9.1: A 6 THR OG1 : rot 42:sc= 0.188 USER MOD Set 9.2: A 8 HIS : no HD1:sc= -0.908 X(o=-0.72,f=-0.26) USER MOD Single : A 1 GLY N :NH3+ 146:sc= 1.26 (180deg=0.102) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.032) USER MOD Single : A 5 ASN : amide:sc= -0.749 K(o=-0.75,f=-0.19) USER MOD Single : A 7 THR OG1 : rot -29:sc= 0.338 USER MOD Single : A 19 ASN : amide:sc= -0.0566 K(o=-0.057,f=-1.4!) USER MOD Single : A 20 HIS : no HD1:sc= -0.98 K(o=-0.98,f=-2!) USER MOD Single : A 24 MET CE :methyl -117:sc= -1.68 (180deg=-2.31!) USER MOD Single : A 25 THR OG1 : rot -88:sc= 0.997 USER MOD Single : A 26 HIS : no HD1:sc=-0.00946 X(o=-0.0095,f=-0.46) USER MOD Single : A 37 ASN : amide:sc= -0.0753 K(o=-0.075,f=-7.5!) USER MOD Single : A 47 GLN : amide:sc=-0.00569 X(o=-0.0057,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.502 K(o=-0.5,f=-2.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.033) USER MOD Single : A 67 MET CE :methyl -132:sc= -0.317 (180deg=-1.62!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.22) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 0.348 (180deg=0.256) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.19) USER MOD Single : A 83 ASN : amide:sc= -0.0749 K(o=-0.075,f=-0.65) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 88 THR OG1 : rot -66:sc= 0.609 USER MOD Single : A 89 MET CE :methyl -132:sc= -0.0552 (180deg=-1.92!) USER MOD Single : A 91 ASN : amide:sc= -2.51 K(o=-2.5,f=-0.43) USER MOD Single : A 92 LYS NZ :NH3+ 173:sc=-0.00113 (180deg=-0.0811) USER MOD Single : A 98 GLN : amide:sc= 0.064 X(o=0.064,f=-0.013) USER MOD Single : B 1 GLY N :NH3+ 177:sc= -0.0838 (180deg=-0.0865) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.055) USER MOD Single : B 5 ASN : amide:sc= 0.012 K(o=0.012,f=-1.5) USER MOD Single : B 7 THR OG1 : rot -48:sc= 0.0076 USER MOD Single : B 19 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.5!) USER MOD Single : B 20 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : B 24 MET CE :methyl -122:sc= -1.93 (180deg=-2.62!) USER MOD Single : B 25 THR OG1 : rot -87:sc= 0.883 USER MOD Single : B 26 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.47) USER MOD Single : B 37 ASN : amide:sc= -0.0144 K(o=-0.014,f=-6.9!) USER MOD Single : B 47 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.081) USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= -0.0437 K(o=-0.044,f=-2.2) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 GLN : amide:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : B 67 MET CE :methyl -129:sc= -0.235 (180deg=-1.42!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.28) USER MOD Single : B 73 LYS NZ :NH3+ 164:sc= 0.167 (180deg=0.0965) USER MOD Single : B 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 81 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.2) USER MOD Single : B 83 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.78) USER MOD Single : B 84 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 88 THR OG1 : rot -66:sc= 0.567 USER MOD Single : B 89 MET CE :methyl -142:sc= -0.0348 (180deg=-1.76!) USER MOD Single : B 91 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.37) USER MOD Single : B 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.075) USER MOD Single : B 98 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.640 4.441 -18.035 1.00 31.13 N ATOM 2 CA GLY A 1 0.408 5.058 -18.883 1.00 41.40 C ATOM 3 C GLY A 1 1.290 4.017 -19.542 1.00 61.11 C ATOM 4 O GLY A 1 0.778 3.001 -20.034 1.00 55.51 O ATOM 0 H1 GLY A 1 -0.824 5.050 -17.213 1.00 31.13 H new ATOM 0 H2 GLY A 1 -1.514 4.332 -18.588 1.00 31.13 H new ATOM 0 H3 GLY A 1 -0.318 3.508 -17.709 1.00 31.13 H new ATOM 0 HA2 GLY A 1 -0.062 5.673 -19.650 1.00 41.40 H new ATOM 0 HA3 GLY A 1 1.023 5.721 -18.275 1.00 41.40 H new ATOM 10 N SER A 2 2.612 4.273 -19.569 1.00 73.14 N ATOM 11 CA SER A 2 3.594 3.314 -20.072 1.00 52.40 C ATOM 12 C SER A 2 3.623 2.091 -19.141 1.00 13.22 C ATOM 13 O SER A 2 4.051 2.190 -17.984 1.00 33.03 O ATOM 14 CB SER A 2 4.984 3.974 -20.167 1.00 60.33 C ATOM 15 OG SER A 2 5.924 3.113 -20.789 1.00 54.33 O ATOM 0 H SER A 2 3.020 5.149 -19.243 1.00 73.14 H new ATOM 0 HA SER A 2 3.313 2.988 -21.074 1.00 52.40 H new ATOM 0 HB2 SER A 2 4.910 4.903 -20.732 1.00 60.33 H new ATOM 0 HB3 SER A 2 5.333 4.236 -19.168 1.00 60.33 H new ATOM 0 HG SER A 2 6.795 3.559 -20.836 1.00 54.33 H new ATOM 21 N MET A 3 3.108 0.958 -19.652 1.00 33.44 N ATOM 22 CA MET A 3 2.942 -0.279 -18.880 1.00 45.35 C ATOM 23 C MET A 3 4.317 -0.936 -18.614 1.00 43.24 C ATOM 24 O MET A 3 4.759 -1.830 -19.344 1.00 41.54 O ATOM 25 CB MET A 3 1.967 -1.237 -19.624 1.00 11.24 C ATOM 26 CG MET A 3 0.570 -0.647 -19.883 1.00 14.24 C ATOM 27 SD MET A 3 -0.539 -1.816 -20.703 1.00 42.43 S ATOM 28 CE MET A 3 -2.098 -0.921 -20.693 1.00 3.14 C ATOM 0 H MET A 3 2.794 0.878 -20.619 1.00 33.44 H new ATOM 0 HA MET A 3 2.504 -0.049 -17.909 1.00 45.35 H new ATOM 0 HB2 MET A 3 2.412 -1.519 -20.578 1.00 11.24 H new ATOM 0 HB3 MET A 3 1.859 -2.151 -19.040 1.00 11.24 H new ATOM 0 HG2 MET A 3 0.129 -0.338 -18.935 1.00 14.24 H new ATOM 0 HG3 MET A 3 0.666 0.248 -20.497 1.00 14.24 H new ATOM 0 HE1 MET A 3 -2.869 -1.527 -21.169 1.00 3.14 H new ATOM 0 HE2 MET A 3 -2.388 -0.707 -19.664 1.00 3.14 H new ATOM 0 HE3 MET A 3 -1.984 0.015 -21.240 1.00 3.14 H new ATOM 38 N GLN A 4 5.014 -0.417 -17.591 1.00 62.33 N ATOM 39 CA GLN A 4 6.371 -0.854 -17.209 1.00 54.21 C ATOM 40 C GLN A 4 6.324 -1.653 -15.897 1.00 4.15 C ATOM 41 O GLN A 4 7.110 -1.403 -14.975 1.00 61.23 O ATOM 42 CB GLN A 4 7.301 0.395 -17.080 1.00 11.12 C ATOM 43 CG GLN A 4 7.486 1.218 -18.372 1.00 24.24 C ATOM 44 CD GLN A 4 8.100 0.418 -19.524 1.00 43.23 C ATOM 45 OE1 GLN A 4 9.319 0.330 -19.656 1.00 72.34 O ATOM 46 NE2 GLN A 4 7.260 -0.147 -20.381 1.00 11.13 N ATOM 0 H GLN A 4 4.649 0.327 -16.997 1.00 62.33 H new ATOM 0 HA GLN A 4 6.775 -1.509 -17.980 1.00 54.21 H new ATOM 0 HB2 GLN A 4 6.897 1.049 -16.307 1.00 11.12 H new ATOM 0 HB3 GLN A 4 8.281 0.063 -16.737 1.00 11.12 H new ATOM 0 HG2 GLN A 4 6.518 1.608 -18.687 1.00 24.24 H new ATOM 0 HG3 GLN A 4 8.121 2.077 -18.158 1.00 24.24 H new ATOM 0 HE21 GLN A 4 6.253 -0.056 -20.244 1.00 11.13 H new ATOM 0 HE22 GLN A 4 7.621 -0.673 -21.177 1.00 11.13 H new ATOM 55 N ASN A 5 5.391 -2.628 -15.828 1.00 11.42 N ATOM 56 CA ASN A 5 5.288 -3.558 -14.678 1.00 33.33 C ATOM 57 C ASN A 5 6.425 -4.597 -14.758 1.00 2.31 C ATOM 58 O ASN A 5 6.213 -5.769 -15.078 1.00 63.43 O ATOM 59 CB ASN A 5 3.898 -4.246 -14.635 1.00 4.44 C ATOM 60 CG ASN A 5 2.757 -3.271 -14.386 1.00 23.02 C ATOM 61 OD1 ASN A 5 2.387 -2.996 -13.245 1.00 74.14 O ATOM 62 ND2 ASN A 5 2.199 -2.718 -15.449 1.00 32.54 N ATOM 0 H ASN A 5 4.696 -2.793 -16.556 1.00 11.42 H new ATOM 0 HA ASN A 5 5.391 -2.991 -13.753 1.00 33.33 H new ATOM 0 HB2 ASN A 5 3.726 -4.764 -15.579 1.00 4.44 H new ATOM 0 HB3 ASN A 5 3.898 -5.004 -13.851 1.00 4.44 H new ATOM 0 HD21 ASN A 5 1.441 -2.045 -15.335 1.00 32.54 H new ATOM 0 HD22 ASN A 5 2.526 -2.965 -16.383 1.00 32.54 H new ATOM 69 N THR A 6 7.641 -4.111 -14.490 1.00 62.42 N ATOM 70 CA THR A 6 8.901 -4.843 -14.670 1.00 23.14 C ATOM 71 C THR A 6 9.914 -4.291 -13.645 1.00 12.13 C ATOM 72 O THR A 6 10.248 -3.097 -13.689 1.00 71.40 O ATOM 73 CB THR A 6 9.465 -4.669 -16.131 1.00 41.24 C ATOM 74 OG1 THR A 6 9.424 -3.280 -16.506 1.00 14.23 O ATOM 75 CG2 THR A 6 8.708 -5.506 -17.186 1.00 74.04 C ATOM 0 H THR A 6 7.781 -3.167 -14.130 1.00 62.42 H new ATOM 0 HA THR A 6 8.729 -5.908 -14.515 1.00 23.14 H new ATOM 0 HB THR A 6 10.491 -5.035 -16.112 1.00 41.24 H new ATOM 0 HG1 THR A 6 9.718 -2.729 -15.751 1.00 14.23 H new ATOM 0 HG21 THR A 6 9.149 -5.338 -18.169 1.00 74.04 H new ATOM 0 HG22 THR A 6 8.780 -6.563 -16.932 1.00 74.04 H new ATOM 0 HG23 THR A 6 7.660 -5.208 -17.203 1.00 74.04 H new ATOM 83 N THR A 7 10.391 -5.166 -12.738 1.00 24.33 N ATOM 84 CA THR A 7 11.246 -4.765 -11.617 1.00 10.42 C ATOM 85 C THR A 7 12.697 -4.462 -12.084 1.00 62.42 C ATOM 86 O THR A 7 13.591 -5.314 -12.009 1.00 51.23 O ATOM 87 CB THR A 7 11.210 -5.854 -10.500 1.00 3.14 C ATOM 88 OG1 THR A 7 9.842 -6.213 -10.238 1.00 55.45 O ATOM 89 CG2 THR A 7 11.854 -5.368 -9.190 1.00 75.51 C ATOM 0 H THR A 7 10.192 -6.166 -12.767 1.00 24.33 H new ATOM 0 HA THR A 7 10.855 -3.837 -11.199 1.00 10.42 H new ATOM 0 HB THR A 7 11.781 -6.711 -10.856 1.00 3.14 H new ATOM 0 HG1 THR A 7 9.261 -5.446 -10.426 1.00 55.45 H new ATOM 0 HG21 THR A 7 11.804 -6.161 -8.444 1.00 75.51 H new ATOM 0 HG22 THR A 7 12.896 -5.106 -9.372 1.00 75.51 H new ATOM 0 HG23 THR A 7 11.318 -4.492 -8.824 1.00 75.51 H new ATOM 97 N HIS A 8 12.872 -3.232 -12.620 1.00 42.25 N ATOM 98 CA HIS A 8 14.167 -2.680 -13.084 1.00 73.42 C ATOM 99 C HIS A 8 13.951 -1.224 -13.548 1.00 33.23 C ATOM 100 O HIS A 8 14.775 -0.348 -13.278 1.00 4.23 O ATOM 101 CB HIS A 8 14.805 -3.522 -14.238 1.00 22.44 C ATOM 102 CG HIS A 8 14.047 -3.476 -15.545 1.00 12.32 C ATOM 103 ND1 HIS A 8 14.375 -2.618 -16.580 1.00 54.11 N ATOM 104 CD2 HIS A 8 12.960 -4.156 -15.967 1.00 15.23 C ATOM 105 CE1 HIS A 8 13.517 -2.772 -17.564 1.00 24.52 C ATOM 106 NE2 HIS A 8 12.654 -3.694 -17.219 1.00 64.45 N ATOM 0 H HIS A 8 12.098 -2.580 -12.745 1.00 42.25 H new ATOM 0 HA HIS A 8 14.865 -2.718 -12.248 1.00 73.42 H new ATOM 0 HB2 HIS A 8 15.821 -3.167 -14.410 1.00 22.44 H new ATOM 0 HB3 HIS A 8 14.881 -4.560 -13.914 1.00 22.44 H new ATOM 0 HD2 HIS A 8 12.431 -4.922 -15.419 1.00 15.23 H new ATOM 0 HE1 HIS A 8 13.523 -2.230 -18.498 1.00 24.52 H new ATOM 0 HE2 HIS A 8 11.875 -4.018 -17.793 1.00 64.45 H new ATOM 115 N ASP A 9 12.825 -0.995 -14.263 1.00 44.35 N ATOM 116 CA ASP A 9 12.454 0.330 -14.818 1.00 5.33 C ATOM 117 C ASP A 9 11.742 1.166 -13.746 1.00 22.43 C ATOM 118 O ASP A 9 11.761 2.404 -13.768 1.00 31.22 O ATOM 119 CB ASP A 9 11.560 0.158 -16.075 1.00 24.11 C ATOM 120 CG ASP A 9 11.473 1.452 -16.905 1.00 74.44 C ATOM 121 OD1 ASP A 9 12.452 1.764 -17.618 1.00 65.34 O ATOM 122 OD2 ASP A 9 10.463 2.180 -16.831 1.00 62.13 O ATOM 0 H ASP A 9 12.145 -1.726 -14.473 1.00 44.35 H new ATOM 0 HA ASP A 9 13.360 0.856 -15.119 1.00 5.33 H new ATOM 0 HB2 ASP A 9 11.959 -0.644 -16.696 1.00 24.11 H new ATOM 0 HB3 ASP A 9 10.558 -0.144 -15.769 1.00 24.11 H new ATOM 127 N ASN A 10 11.149 0.454 -12.790 1.00 12.31 N ATOM 128 CA ASN A 10 10.503 1.046 -11.623 1.00 20.13 C ATOM 129 C ASN A 10 11.560 1.496 -10.597 1.00 13.25 C ATOM 130 O ASN A 10 12.733 1.101 -10.670 1.00 71.12 O ATOM 131 CB ASN A 10 9.501 0.028 -11.001 1.00 13.45 C ATOM 132 CG ASN A 10 10.158 -1.262 -10.503 1.00 20.24 C ATOM 133 OD1 ASN A 10 11.244 -1.641 -10.933 1.00 30.00 O ATOM 134 ND2 ASN A 10 9.483 -1.975 -9.633 1.00 50.24 N ATOM 0 H ASN A 10 11.104 -0.565 -12.806 1.00 12.31 H new ATOM 0 HA ASN A 10 9.943 1.930 -11.929 1.00 20.13 H new ATOM 0 HB2 ASN A 10 8.983 0.505 -10.169 1.00 13.45 H new ATOM 0 HB3 ASN A 10 8.745 -0.224 -11.745 1.00 13.45 H new ATOM 0 HD21 ASN A 10 9.859 -2.863 -9.301 1.00 50.24 H new ATOM 0 HD22 ASN A 10 8.583 -1.641 -9.289 1.00 50.24 H new ATOM 141 N VAL A 11 11.131 2.333 -9.655 1.00 33.21 N ATOM 142 CA VAL A 11 11.996 2.934 -8.627 1.00 70.00 C ATOM 143 C VAL A 11 11.326 2.774 -7.271 1.00 40.53 C ATOM 144 O VAL A 11 10.092 2.786 -7.175 1.00 61.35 O ATOM 145 CB VAL A 11 12.311 4.463 -8.895 1.00 71.43 C ATOM 146 CG1 VAL A 11 13.292 4.635 -10.077 1.00 65.35 C ATOM 147 CG2 VAL A 11 11.013 5.276 -9.124 1.00 24.12 C ATOM 0 H VAL A 11 10.156 2.622 -9.578 1.00 33.21 H new ATOM 0 HA VAL A 11 12.953 2.413 -8.655 1.00 70.00 H new ATOM 0 HB VAL A 11 12.794 4.858 -8.002 1.00 71.43 H new ATOM 0 HG11 VAL A 11 13.488 5.695 -10.236 1.00 65.35 H new ATOM 0 HG12 VAL A 11 14.227 4.123 -9.851 1.00 65.35 H new ATOM 0 HG13 VAL A 11 12.853 4.208 -10.979 1.00 65.35 H new ATOM 0 HG21 VAL A 11 11.265 6.321 -9.305 1.00 24.12 H new ATOM 0 HG22 VAL A 11 10.481 4.876 -9.987 1.00 24.12 H new ATOM 0 HG23 VAL A 11 10.378 5.204 -8.241 1.00 24.12 H new ATOM 157 N ILE A 12 12.163 2.614 -6.243 1.00 60.14 N ATOM 158 CA ILE A 12 11.743 2.443 -4.860 1.00 14.01 C ATOM 159 C ILE A 12 11.608 3.826 -4.191 1.00 15.50 C ATOM 160 O ILE A 12 12.571 4.359 -3.620 1.00 15.04 O ATOM 161 CB ILE A 12 12.784 1.575 -4.059 1.00 3.31 C ATOM 162 CG1 ILE A 12 13.127 0.252 -4.783 1.00 50.41 C ATOM 163 CG2 ILE A 12 12.286 1.278 -2.648 1.00 21.25 C ATOM 164 CD1 ILE A 12 11.974 -0.714 -4.934 1.00 21.31 C ATOM 0 H ILE A 12 13.176 2.600 -6.358 1.00 60.14 H new ATOM 0 HA ILE A 12 10.783 1.927 -4.851 1.00 14.01 H new ATOM 0 HB ILE A 12 13.696 2.169 -3.997 1.00 3.31 H new ATOM 0 HG12 ILE A 12 13.515 0.488 -5.774 1.00 50.41 H new ATOM 0 HG13 ILE A 12 13.929 -0.246 -4.237 1.00 50.41 H new ATOM 0 HG21 ILE A 12 13.026 0.677 -2.120 1.00 21.25 H new ATOM 0 HG22 ILE A 12 12.130 2.215 -2.113 1.00 21.25 H new ATOM 0 HG23 ILE A 12 11.345 0.730 -2.702 1.00 21.25 H new ATOM 0 HD11 ILE A 12 12.315 -1.609 -5.453 1.00 21.31 H new ATOM 0 HD12 ILE A 12 11.597 -0.988 -3.949 1.00 21.31 H new ATOM 0 HD13 ILE A 12 11.177 -0.242 -5.509 1.00 21.31 H new ATOM 176 N LEU A 13 10.427 4.423 -4.307 1.00 31.54 N ATOM 177 CA LEU A 13 10.124 5.703 -3.657 1.00 74.43 C ATOM 178 C LEU A 13 9.570 5.421 -2.269 1.00 33.31 C ATOM 179 O LEU A 13 8.366 5.239 -2.087 1.00 60.43 O ATOM 180 CB LEU A 13 9.138 6.526 -4.522 1.00 52.01 C ATOM 181 CG LEU A 13 9.626 6.804 -5.973 1.00 41.24 C ATOM 182 CD1 LEU A 13 8.601 7.620 -6.765 1.00 42.40 C ATOM 183 CD2 LEU A 13 11.011 7.482 -5.976 1.00 22.32 C ATOM 0 H LEU A 13 9.653 4.040 -4.850 1.00 31.54 H new ATOM 0 HA LEU A 13 11.029 6.302 -3.556 1.00 74.43 H new ATOM 0 HB2 LEU A 13 8.186 5.997 -4.568 1.00 52.01 H new ATOM 0 HB3 LEU A 13 8.949 7.479 -4.027 1.00 52.01 H new ATOM 0 HG LEU A 13 9.729 5.841 -6.474 1.00 41.24 H new ATOM 0 HD11 LEU A 13 8.976 7.795 -7.773 1.00 42.40 H new ATOM 0 HD12 LEU A 13 7.661 7.071 -6.818 1.00 42.40 H new ATOM 0 HD13 LEU A 13 8.435 8.576 -6.269 1.00 42.40 H new ATOM 0 HD21 LEU A 13 11.325 7.663 -7.004 1.00 22.32 H new ATOM 0 HD22 LEU A 13 10.953 8.430 -5.442 1.00 22.32 H new ATOM 0 HD23 LEU A 13 11.735 6.832 -5.485 1.00 22.32 H new ATOM 195 N GLU A 14 10.478 5.322 -1.295 1.00 4.34 N ATOM 196 CA GLU A 14 10.128 4.946 0.074 1.00 0.23 C ATOM 197 C GLU A 14 9.797 6.184 0.927 1.00 61.12 C ATOM 198 O GLU A 14 10.667 6.985 1.291 1.00 63.43 O ATOM 199 CB GLU A 14 11.233 4.078 0.725 1.00 35.32 C ATOM 200 CG GLU A 14 12.668 4.589 0.560 1.00 11.01 C ATOM 201 CD GLU A 14 13.671 3.846 1.452 1.00 2.12 C ATOM 202 OE1 GLU A 14 14.051 2.707 1.121 1.00 21.11 O ATOM 203 OE2 GLU A 14 14.046 4.377 2.512 1.00 13.15 O ATOM 0 H GLU A 14 11.473 5.500 -1.434 1.00 4.34 H new ATOM 0 HA GLU A 14 9.227 4.334 0.027 1.00 0.23 H new ATOM 0 HB2 GLU A 14 11.019 3.990 1.790 1.00 35.32 H new ATOM 0 HB3 GLU A 14 11.175 3.074 0.305 1.00 35.32 H new ATOM 0 HG2 GLU A 14 12.969 4.484 -0.482 1.00 11.01 H new ATOM 0 HG3 GLU A 14 12.699 5.653 0.795 1.00 11.01 H new ATOM 210 N LEU A 15 8.501 6.338 1.191 1.00 45.12 N ATOM 211 CA LEU A 15 7.962 7.366 2.075 1.00 52.44 C ATOM 212 C LEU A 15 7.783 6.769 3.471 1.00 10.43 C ATOM 213 O LEU A 15 6.962 5.866 3.658 1.00 44.24 O ATOM 214 CB LEU A 15 6.601 7.894 1.537 1.00 63.23 C ATOM 215 CG LEU A 15 6.639 8.851 0.304 1.00 45.10 C ATOM 216 CD1 LEU A 15 7.394 10.148 0.620 1.00 2.41 C ATOM 217 CD2 LEU A 15 7.182 8.175 -0.975 1.00 73.14 C ATOM 0 H LEU A 15 7.782 5.738 0.787 1.00 45.12 H new ATOM 0 HA LEU A 15 8.654 8.207 2.118 1.00 52.44 H new ATOM 0 HB2 LEU A 15 5.985 7.033 1.277 1.00 63.23 H new ATOM 0 HB3 LEU A 15 6.095 8.413 2.351 1.00 63.23 H new ATOM 0 HG LEU A 15 5.602 9.110 0.091 1.00 45.10 H new ATOM 0 HD11 LEU A 15 7.400 10.789 -0.261 1.00 2.41 H new ATOM 0 HD12 LEU A 15 6.900 10.666 1.442 1.00 2.41 H new ATOM 0 HD13 LEU A 15 8.420 9.912 0.904 1.00 2.41 H new ATOM 0 HD21 LEU A 15 7.182 8.894 -1.794 1.00 73.14 H new ATOM 0 HD22 LEU A 15 8.199 7.826 -0.798 1.00 73.14 H new ATOM 0 HD23 LEU A 15 6.548 7.328 -1.236 1.00 73.14 H new ATOM 229 N THR A 16 8.561 7.252 4.442 1.00 72.34 N ATOM 230 CA THR A 16 8.350 6.915 5.848 1.00 32.20 C ATOM 231 C THR A 16 7.351 7.919 6.410 1.00 5.23 C ATOM 232 O THR A 16 7.715 9.053 6.707 1.00 73.24 O ATOM 233 CB THR A 16 9.665 6.959 6.687 1.00 41.31 C ATOM 234 OG1 THR A 16 10.655 6.116 6.087 1.00 12.01 O ATOM 235 CG2 THR A 16 9.419 6.522 8.146 1.00 0.52 C ATOM 0 H THR A 16 9.347 7.881 4.277 1.00 72.34 H new ATOM 0 HA THR A 16 7.980 5.891 5.910 1.00 32.20 H new ATOM 0 HB THR A 16 10.021 7.989 6.700 1.00 41.31 H new ATOM 0 HG1 THR A 16 10.533 5.195 6.399 1.00 12.01 H new ATOM 0 HG21 THR A 16 10.356 6.565 8.701 1.00 0.52 H new ATOM 0 HG22 THR A 16 8.692 7.190 8.608 1.00 0.52 H new ATOM 0 HG23 THR A 16 9.035 5.502 8.160 1.00 0.52 H new ATOM 243 N VAL A 17 6.083 7.522 6.482 1.00 24.31 N ATOM 244 CA VAL A 17 5.011 8.365 7.001 1.00 62.31 C ATOM 245 C VAL A 17 4.553 7.803 8.351 1.00 55.25 C ATOM 246 O VAL A 17 4.600 6.601 8.564 1.00 30.32 O ATOM 247 CB VAL A 17 3.807 8.481 5.980 1.00 52.31 C ATOM 248 CG1 VAL A 17 4.320 8.647 4.528 1.00 25.20 C ATOM 249 CG2 VAL A 17 2.808 7.308 6.080 1.00 21.32 C ATOM 0 H VAL A 17 5.769 6.600 6.180 1.00 24.31 H new ATOM 0 HA VAL A 17 5.389 9.378 7.140 1.00 62.31 H new ATOM 0 HB VAL A 17 3.257 9.379 6.262 1.00 52.31 H new ATOM 0 HG11 VAL A 17 3.471 8.724 3.849 1.00 25.20 H new ATOM 0 HG12 VAL A 17 4.925 9.551 4.457 1.00 25.20 H new ATOM 0 HG13 VAL A 17 4.926 7.783 4.255 1.00 25.20 H new ATOM 0 HG21 VAL A 17 2.008 7.449 5.354 1.00 21.32 H new ATOM 0 HG22 VAL A 17 3.325 6.371 5.873 1.00 21.32 H new ATOM 0 HG23 VAL A 17 2.385 7.275 7.084 1.00 21.32 H new ATOM 259 N ARG A 18 4.168 8.663 9.290 1.00 13.45 N ATOM 260 CA ARG A 18 3.578 8.208 10.565 1.00 65.51 C ATOM 261 C ARG A 18 2.046 8.310 10.465 1.00 61.01 C ATOM 262 O ARG A 18 1.515 9.360 10.079 1.00 43.31 O ATOM 263 CB ARG A 18 4.183 8.984 11.775 1.00 42.41 C ATOM 264 CG ARG A 18 4.003 10.510 11.777 1.00 25.13 C ATOM 265 CD ARG A 18 4.771 11.189 12.927 1.00 55.34 C ATOM 266 NE ARG A 18 4.440 10.645 14.265 1.00 30.23 N ATOM 267 CZ ARG A 18 4.751 11.237 15.435 1.00 11.04 C ATOM 268 NH1 ARG A 18 5.395 12.406 15.466 1.00 10.41 N ATOM 269 NH2 ARG A 18 4.430 10.645 16.576 1.00 55.21 N ATOM 0 H ARG A 18 4.250 9.676 9.202 1.00 13.45 H new ATOM 0 HA ARG A 18 3.828 7.163 10.748 1.00 65.51 H new ATOM 0 HB2 ARG A 18 3.740 8.588 12.689 1.00 42.41 H new ATOM 0 HB3 ARG A 18 5.250 8.767 11.819 1.00 42.41 H new ATOM 0 HG2 ARG A 18 4.346 10.915 10.825 1.00 25.13 H new ATOM 0 HG3 ARG A 18 2.943 10.748 11.861 1.00 25.13 H new ATOM 0 HD2 ARG A 18 5.841 11.077 12.753 1.00 55.34 H new ATOM 0 HD3 ARG A 18 4.556 12.257 12.915 1.00 55.34 H new ATOM 0 HE ARG A 18 3.940 9.757 14.303 1.00 30.23 H new ATOM 0 HH11 ARG A 18 5.660 12.866 14.595 1.00 10.41 H new ATOM 0 HH12 ARG A 18 5.622 12.840 16.361 1.00 10.41 H new ATOM 0 HH21 ARG A 18 3.950 9.745 16.566 1.00 55.21 H new ATOM 0 HH22 ARG A 18 4.663 11.089 17.464 1.00 55.21 H new ATOM 283 N ASN A 19 1.358 7.184 10.781 1.00 43.14 N ATOM 284 CA ASN A 19 -0.074 6.977 10.494 1.00 35.20 C ATOM 285 C ASN A 19 -0.986 7.977 11.226 1.00 61.51 C ATOM 286 O ASN A 19 -1.384 7.770 12.376 1.00 40.52 O ATOM 287 CB ASN A 19 -0.515 5.500 10.785 1.00 22.15 C ATOM 288 CG ASN A 19 -0.188 4.517 9.648 1.00 43.41 C ATOM 289 OD1 ASN A 19 -0.109 4.898 8.481 1.00 51.51 O ATOM 290 ND2 ASN A 19 -0.044 3.239 9.968 1.00 23.44 N ATOM 0 H ASN A 19 1.792 6.388 11.248 1.00 43.14 H new ATOM 0 HA ASN A 19 -0.195 7.166 9.427 1.00 35.20 H new ATOM 0 HB2 ASN A 19 -0.028 5.159 11.698 1.00 22.15 H new ATOM 0 HB3 ASN A 19 -1.589 5.482 10.971 1.00 22.15 H new ATOM 0 HD21 ASN A 19 0.136 2.548 9.240 1.00 23.44 H new ATOM 0 HD22 ASN A 19 -0.114 2.946 10.943 1.00 23.44 H new ATOM 297 N HIS A 20 -1.226 9.094 10.539 1.00 42.01 N ATOM 298 CA HIS A 20 -2.324 10.029 10.843 1.00 10.30 C ATOM 299 C HIS A 20 -3.555 9.584 10.004 1.00 30.20 C ATOM 300 O HIS A 20 -3.367 8.836 9.034 1.00 55.45 O ATOM 301 CB HIS A 20 -1.905 11.493 10.498 1.00 52.31 C ATOM 302 CG HIS A 20 -0.583 11.935 11.071 1.00 14.32 C ATOM 303 ND1 HIS A 20 0.308 12.716 10.372 1.00 71.34 N ATOM 304 CD2 HIS A 20 -0.011 11.714 12.280 1.00 33.40 C ATOM 305 CE1 HIS A 20 1.365 12.947 11.120 1.00 73.32 C ATOM 306 NE2 HIS A 20 1.195 12.354 12.280 1.00 51.22 N ATOM 0 H HIS A 20 -0.658 9.384 9.743 1.00 42.01 H new ATOM 0 HA HIS A 20 -2.567 10.010 11.905 1.00 10.30 H new ATOM 0 HB2 HIS A 20 -1.865 11.596 9.414 1.00 52.31 H new ATOM 0 HB3 HIS A 20 -2.682 12.170 10.855 1.00 52.31 H new ATOM 0 HD2 HIS A 20 -0.431 11.139 13.092 1.00 33.40 H new ATOM 0 HE1 HIS A 20 2.228 13.527 10.829 1.00 73.32 H new ATOM 0 HE2 HIS A 20 1.857 12.369 13.056 1.00 51.22 H new ATOM 315 N PRO A 21 -4.819 10.006 10.364 1.00 42.43 N ATOM 316 CA PRO A 21 -6.061 9.621 9.620 1.00 15.41 C ATOM 317 C PRO A 21 -5.976 9.746 8.068 1.00 54.33 C ATOM 318 O PRO A 21 -6.037 10.850 7.512 1.00 0.34 O ATOM 319 CB PRO A 21 -7.118 10.589 10.200 1.00 72.25 C ATOM 320 CG PRO A 21 -6.666 10.829 11.611 1.00 53.21 C ATOM 321 CD PRO A 21 -5.151 10.852 11.554 1.00 63.42 C ATOM 0 HA PRO A 21 -6.281 8.562 9.756 1.00 15.41 H new ATOM 0 HB2 PRO A 21 -7.160 11.519 9.632 1.00 72.25 H new ATOM 0 HB3 PRO A 21 -8.116 10.152 10.171 1.00 72.25 H new ATOM 0 HG2 PRO A 21 -7.058 11.771 11.994 1.00 53.21 H new ATOM 0 HG3 PRO A 21 -7.022 10.042 12.276 1.00 53.21 H new ATOM 0 HD2 PRO A 21 -4.771 11.867 11.440 1.00 63.42 H new ATOM 0 HD3 PRO A 21 -4.711 10.448 12.466 1.00 63.42 H new ATOM 329 N GLY A 22 -5.784 8.588 7.400 1.00 64.41 N ATOM 330 CA GLY A 22 -5.804 8.485 5.936 1.00 2.55 C ATOM 331 C GLY A 22 -4.579 9.081 5.235 1.00 52.34 C ATOM 332 O GLY A 22 -4.713 9.867 4.296 1.00 74.11 O ATOM 0 H GLY A 22 -5.611 7.699 7.868 1.00 64.41 H new ATOM 0 HA2 GLY A 22 -5.887 7.434 5.661 1.00 2.55 H new ATOM 0 HA3 GLY A 22 -6.698 8.984 5.562 1.00 2.55 H new ATOM 336 N VAL A 23 -3.378 8.731 5.708 1.00 34.35 N ATOM 337 CA VAL A 23 -2.100 9.189 5.092 1.00 73.32 C ATOM 338 C VAL A 23 -1.619 8.271 3.953 1.00 25.02 C ATOM 339 O VAL A 23 -0.895 8.710 3.057 1.00 41.15 O ATOM 340 CB VAL A 23 -0.987 9.373 6.169 1.00 54.51 C ATOM 341 CG1 VAL A 23 -1.389 10.506 7.130 1.00 45.33 C ATOM 342 CG2 VAL A 23 -0.699 8.054 6.922 1.00 12.25 C ATOM 0 H VAL A 23 -3.250 8.128 6.521 1.00 34.35 H new ATOM 0 HA VAL A 23 -2.309 10.160 4.642 1.00 73.32 H new ATOM 0 HB VAL A 23 -0.057 9.650 5.673 1.00 54.51 H new ATOM 0 HG11 VAL A 23 -0.613 10.636 7.884 1.00 45.33 H new ATOM 0 HG12 VAL A 23 -1.510 11.433 6.569 1.00 45.33 H new ATOM 0 HG13 VAL A 23 -2.330 10.252 7.618 1.00 45.33 H new ATOM 0 HG21 VAL A 23 0.082 8.222 7.664 1.00 12.25 H new ATOM 0 HG22 VAL A 23 -1.607 7.714 7.421 1.00 12.25 H new ATOM 0 HG23 VAL A 23 -0.369 7.295 6.213 1.00 12.25 H new ATOM 352 N MET A 24 -1.997 6.992 4.021 1.00 53.44 N ATOM 353 CA MET A 24 -1.694 5.991 2.970 1.00 13.30 C ATOM 354 C MET A 24 -2.297 6.393 1.591 1.00 21.52 C ATOM 355 O MET A 24 -1.766 6.028 0.530 1.00 33.34 O ATOM 356 CB MET A 24 -2.164 4.577 3.420 1.00 14.14 C ATOM 357 CG MET A 24 -3.653 4.459 3.805 1.00 2.43 C ATOM 358 SD MET A 24 -4.090 5.350 5.325 1.00 4.11 S ATOM 359 CE MET A 24 -3.092 4.502 6.552 1.00 64.42 C ATOM 0 H MET A 24 -2.525 6.610 4.806 1.00 53.44 H new ATOM 0 HA MET A 24 -0.613 5.961 2.834 1.00 13.30 H new ATOM 0 HB2 MET A 24 -1.959 3.872 2.614 1.00 14.14 H new ATOM 0 HB3 MET A 24 -1.561 4.268 4.274 1.00 14.14 H new ATOM 0 HG2 MET A 24 -4.262 4.839 2.985 1.00 2.43 H new ATOM 0 HG3 MET A 24 -3.905 3.406 3.927 1.00 2.43 H new ATOM 0 HE1 MET A 24 -3.743 4.021 7.282 1.00 64.42 H new ATOM 0 HE2 MET A 24 -2.476 3.748 6.062 1.00 64.42 H new ATOM 0 HE3 MET A 24 -2.449 5.222 7.059 1.00 64.42 H new ATOM 369 N THR A 25 -3.395 7.170 1.625 1.00 12.12 N ATOM 370 CA THR A 25 -4.032 7.723 0.416 1.00 14.43 C ATOM 371 C THR A 25 -3.083 8.680 -0.349 1.00 11.13 C ATOM 372 O THR A 25 -3.217 8.839 -1.560 1.00 52.53 O ATOM 373 CB THR A 25 -5.341 8.486 0.780 1.00 34.44 C ATOM 374 OG1 THR A 25 -5.019 9.596 1.629 1.00 71.23 O ATOM 375 CG2 THR A 25 -6.361 7.574 1.494 1.00 61.12 C ATOM 0 H THR A 25 -3.865 7.432 2.491 1.00 12.12 H new ATOM 0 HA THR A 25 -4.268 6.878 -0.231 1.00 14.43 H new ATOM 0 HB THR A 25 -5.797 8.832 -0.147 1.00 34.44 H new ATOM 0 HG1 THR A 25 -5.015 9.302 2.564 1.00 71.23 H new ATOM 0 HG21 THR A 25 -7.258 8.146 1.730 1.00 61.12 H new ATOM 0 HG22 THR A 25 -6.623 6.741 0.842 1.00 61.12 H new ATOM 0 HG23 THR A 25 -5.923 7.190 2.415 1.00 61.12 H new ATOM 383 N HIS A 26 -2.145 9.326 0.389 1.00 51.11 N ATOM 384 CA HIS A 26 -1.187 10.300 -0.183 1.00 13.43 C ATOM 385 C HIS A 26 -0.218 9.610 -1.154 1.00 44.33 C ATOM 386 O HIS A 26 -0.073 10.045 -2.302 1.00 43.34 O ATOM 387 CB HIS A 26 -0.388 11.027 0.940 1.00 4.35 C ATOM 388 CG HIS A 26 -1.235 11.773 1.945 1.00 24.25 C ATOM 389 ND1 HIS A 26 -0.746 12.210 3.159 1.00 63.11 N ATOM 390 CD2 HIS A 26 -2.541 12.149 1.921 1.00 75.22 C ATOM 391 CE1 HIS A 26 -1.709 12.811 3.827 1.00 71.01 C ATOM 392 NE2 HIS A 26 -2.798 12.786 3.100 1.00 24.12 N ATOM 0 H HIS A 26 -2.034 9.186 1.393 1.00 51.11 H new ATOM 0 HA HIS A 26 -1.764 11.043 -0.734 1.00 13.43 H new ATOM 0 HB2 HIS A 26 0.215 10.291 1.471 1.00 4.35 H new ATOM 0 HB3 HIS A 26 0.303 11.731 0.476 1.00 4.35 H new ATOM 0 HD2 HIS A 26 -3.244 11.976 1.119 1.00 75.22 H new ATOM 0 HE1 HIS A 26 -1.616 13.251 4.809 1.00 71.01 H new ATOM 0 HE2 HIS A 26 -3.698 13.181 3.373 1.00 24.12 H new ATOM 401 N VAL A 27 0.420 8.510 -0.696 1.00 4.34 N ATOM 402 CA VAL A 27 1.384 7.757 -1.525 1.00 24.41 C ATOM 403 C VAL A 27 0.680 7.165 -2.768 1.00 60.30 C ATOM 404 O VAL A 27 1.169 7.303 -3.916 1.00 61.50 O ATOM 405 CB VAL A 27 2.144 6.641 -0.697 1.00 63.41 C ATOM 406 CG1 VAL A 27 2.914 7.259 0.495 1.00 1.12 C ATOM 407 CG2 VAL A 27 1.218 5.505 -0.206 1.00 11.51 C ATOM 0 H VAL A 27 0.285 8.126 0.239 1.00 4.34 H new ATOM 0 HA VAL A 27 2.146 8.458 -1.865 1.00 24.41 H new ATOM 0 HB VAL A 27 2.856 6.190 -1.388 1.00 63.41 H new ATOM 0 HG11 VAL A 27 3.426 6.470 1.046 1.00 1.12 H new ATOM 0 HG12 VAL A 27 3.646 7.976 0.123 1.00 1.12 H new ATOM 0 HG13 VAL A 27 2.213 7.767 1.157 1.00 1.12 H new ATOM 0 HG21 VAL A 27 1.803 4.775 0.354 1.00 11.51 H new ATOM 0 HG22 VAL A 27 0.443 5.920 0.438 1.00 11.51 H new ATOM 0 HG23 VAL A 27 0.754 5.018 -1.063 1.00 11.51 H new ATOM 417 N CYS A 28 -0.521 6.606 -2.528 1.00 35.03 N ATOM 418 CA CYS A 28 -1.353 6.015 -3.574 1.00 51.04 C ATOM 419 C CYS A 28 -1.813 7.066 -4.604 1.00 33.33 C ATOM 420 O CYS A 28 -1.747 6.828 -5.814 1.00 21.11 O ATOM 421 CB CYS A 28 -2.556 5.314 -2.910 1.00 61.45 C ATOM 422 SG CYS A 28 -2.076 3.901 -1.899 1.00 15.20 S ATOM 0 H CYS A 28 -0.936 6.555 -1.598 1.00 35.03 H new ATOM 0 HA CYS A 28 -0.764 5.284 -4.128 1.00 51.04 H new ATOM 0 HB2 CYS A 28 -3.091 6.033 -2.290 1.00 61.45 H new ATOM 0 HB3 CYS A 28 -3.249 4.982 -3.683 1.00 61.45 H new ATOM 0 HG CYS A 28 -3.142 3.289 -1.475 1.00 15.20 H new ATOM 428 N GLY A 29 -2.205 8.247 -4.100 1.00 0.30 N ATOM 429 CA GLY A 29 -2.765 9.308 -4.926 1.00 2.32 C ATOM 430 C GLY A 29 -1.737 9.929 -5.858 1.00 74.21 C ATOM 431 O GLY A 29 -1.970 10.013 -7.068 1.00 13.54 O ATOM 0 H GLY A 29 -2.140 8.485 -3.110 1.00 0.30 H new ATOM 0 HA2 GLY A 29 -3.589 8.907 -5.516 1.00 2.32 H new ATOM 0 HA3 GLY A 29 -3.181 10.083 -4.282 1.00 2.32 H new ATOM 435 N LEU A 30 -0.574 10.301 -5.291 1.00 42.02 N ATOM 436 CA LEU A 30 0.475 11.043 -6.009 1.00 3.44 C ATOM 437 C LEU A 30 1.105 10.220 -7.143 1.00 41.15 C ATOM 438 O LEU A 30 1.312 10.746 -8.245 1.00 32.51 O ATOM 439 CB LEU A 30 1.576 11.566 -5.027 1.00 34.23 C ATOM 440 CG LEU A 30 1.327 12.981 -4.398 1.00 21.22 C ATOM 441 CD1 LEU A 30 1.240 14.077 -5.491 1.00 22.23 C ATOM 442 CD2 LEU A 30 0.078 13.010 -3.485 1.00 64.42 C ATOM 0 H LEU A 30 -0.337 10.094 -4.321 1.00 42.02 H new ATOM 0 HA LEU A 30 -0.013 11.903 -6.468 1.00 3.44 H new ATOM 0 HB2 LEU A 30 1.683 10.845 -4.217 1.00 34.23 H new ATOM 0 HB3 LEU A 30 2.527 11.590 -5.560 1.00 34.23 H new ATOM 0 HG LEU A 30 2.189 13.197 -3.767 1.00 21.22 H new ATOM 0 HD11 LEU A 30 1.067 15.046 -5.022 1.00 22.23 H new ATOM 0 HD12 LEU A 30 2.174 14.107 -6.051 1.00 22.23 H new ATOM 0 HD13 LEU A 30 0.417 13.850 -6.169 1.00 22.23 H new ATOM 0 HD21 LEU A 30 -0.050 14.012 -3.075 1.00 64.42 H new ATOM 0 HD22 LEU A 30 -0.804 12.741 -4.066 1.00 64.42 H new ATOM 0 HD23 LEU A 30 0.207 12.298 -2.670 1.00 64.42 H new ATOM 454 N PHE A 31 1.438 8.947 -6.880 1.00 11.23 N ATOM 455 CA PHE A 31 2.159 8.132 -7.886 1.00 10.11 C ATOM 456 C PHE A 31 1.218 7.519 -8.944 1.00 53.23 C ATOM 457 O PHE A 31 1.640 7.294 -10.085 1.00 25.41 O ATOM 458 CB PHE A 31 3.062 7.098 -7.183 1.00 4.43 C ATOM 459 CG PHE A 31 4.048 7.769 -6.211 1.00 42.45 C ATOM 460 CD1 PHE A 31 4.874 8.815 -6.642 1.00 14.51 C ATOM 461 CD2 PHE A 31 4.117 7.395 -4.873 1.00 73.10 C ATOM 462 CE1 PHE A 31 5.734 9.449 -5.763 1.00 62.11 C ATOM 463 CE2 PHE A 31 4.974 8.033 -3.995 1.00 3.11 C ATOM 464 CZ PHE A 31 5.783 9.058 -4.440 1.00 32.22 C ATOM 0 H PHE A 31 1.229 8.464 -6.006 1.00 11.23 H new ATOM 0 HA PHE A 31 2.811 8.792 -8.458 1.00 10.11 H new ATOM 0 HB2 PHE A 31 2.443 6.385 -6.638 1.00 4.43 H new ATOM 0 HB3 PHE A 31 3.617 6.532 -7.931 1.00 4.43 H new ATOM 0 HD1 PHE A 31 4.839 9.131 -7.674 1.00 14.51 H new ATOM 0 HD2 PHE A 31 3.490 6.592 -4.514 1.00 73.10 H new ATOM 0 HE1 PHE A 31 6.368 10.251 -6.112 1.00 62.11 H new ATOM 0 HE2 PHE A 31 5.010 7.728 -2.959 1.00 3.11 H new ATOM 0 HZ PHE A 31 6.454 9.554 -3.754 1.00 32.22 H new ATOM 474 N ALA A 32 -0.056 7.269 -8.572 1.00 60.12 N ATOM 475 CA ALA A 32 -1.080 6.770 -9.521 1.00 25.22 C ATOM 476 C ALA A 32 -1.450 7.831 -10.580 1.00 12.00 C ATOM 477 O ALA A 32 -1.563 7.517 -11.772 1.00 63.35 O ATOM 478 CB ALA A 32 -2.336 6.322 -8.768 1.00 54.10 C ATOM 0 H ALA A 32 -0.402 7.404 -7.622 1.00 60.12 H new ATOM 0 HA ALA A 32 -0.649 5.915 -10.042 1.00 25.22 H new ATOM 0 HB1 ALA A 32 -3.077 5.959 -9.480 1.00 54.10 H new ATOM 0 HB2 ALA A 32 -2.078 5.523 -8.073 1.00 54.10 H new ATOM 0 HB3 ALA A 32 -2.748 7.165 -8.214 1.00 54.10 H new ATOM 484 N ARG A 33 -1.617 9.096 -10.125 1.00 61.04 N ATOM 485 CA ARG A 33 -2.131 10.203 -10.969 1.00 34.54 C ATOM 486 C ARG A 33 -1.151 10.628 -12.077 1.00 11.44 C ATOM 487 O ARG A 33 -1.553 11.358 -12.989 1.00 5.13 O ATOM 488 CB ARG A 33 -2.478 11.441 -10.095 1.00 32.01 C ATOM 489 CG ARG A 33 -1.257 12.097 -9.417 1.00 32.35 C ATOM 490 CD ARG A 33 -1.626 13.239 -8.460 1.00 14.33 C ATOM 491 NE ARG A 33 -2.147 14.431 -9.160 1.00 54.45 N ATOM 492 CZ ARG A 33 -2.648 15.523 -8.551 1.00 52.31 C ATOM 493 NH1 ARG A 33 -2.715 15.590 -7.220 1.00 53.32 N ATOM 494 NH2 ARG A 33 -3.078 16.550 -9.280 1.00 10.33 N ATOM 0 H ARG A 33 -1.401 9.377 -9.169 1.00 61.04 H new ATOM 0 HA ARG A 33 -3.028 9.818 -11.454 1.00 34.54 H new ATOM 0 HB2 ARG A 33 -2.976 12.184 -10.718 1.00 32.01 H new ATOM 0 HB3 ARG A 33 -3.189 11.141 -9.326 1.00 32.01 H new ATOM 0 HG2 ARG A 33 -0.706 11.336 -8.865 1.00 32.35 H new ATOM 0 HG3 ARG A 33 -0.587 12.481 -10.186 1.00 32.35 H new ATOM 0 HD2 ARG A 33 -2.374 12.884 -7.751 1.00 14.33 H new ATOM 0 HD3 ARG A 33 -0.746 13.520 -7.881 1.00 14.33 H new ATOM 0 HE ARG A 33 -2.126 14.427 -10.180 1.00 54.45 H new ATOM 0 HH11 ARG A 33 -2.385 14.809 -6.653 1.00 53.32 H new ATOM 0 HH12 ARG A 33 -3.096 16.422 -6.770 1.00 53.32 H new ATOM 0 HH21 ARG A 33 -3.028 16.509 -10.298 1.00 10.33 H new ATOM 0 HH22 ARG A 33 -3.458 17.378 -8.821 1.00 10.33 H new ATOM 508 N ARG A 34 0.129 10.193 -11.975 1.00 71.32 N ATOM 509 CA ARG A 34 1.180 10.568 -12.930 1.00 51.11 C ATOM 510 C ARG A 34 0.812 10.067 -14.335 1.00 31.14 C ATOM 511 O ARG A 34 0.578 10.873 -15.245 1.00 65.41 O ATOM 512 CB ARG A 34 2.563 10.008 -12.468 1.00 31.25 C ATOM 513 CG ARG A 34 3.765 10.229 -13.438 1.00 13.24 C ATOM 514 CD ARG A 34 4.102 11.716 -13.713 1.00 13.01 C ATOM 515 NE ARG A 34 3.088 12.393 -14.569 1.00 43.21 N ATOM 516 CZ ARG A 34 3.215 12.661 -15.886 1.00 44.34 C ATOM 517 NH1 ARG A 34 4.312 12.342 -16.557 1.00 22.10 N ATOM 518 NH2 ARG A 34 2.207 13.225 -16.535 1.00 23.25 N ATOM 0 H ARG A 34 0.452 9.576 -11.230 1.00 71.32 H new ATOM 0 HA ARG A 34 1.261 11.654 -12.966 1.00 51.11 H new ATOM 0 HB2 ARG A 34 2.811 10.462 -11.509 1.00 31.25 H new ATOM 0 HB3 ARG A 34 2.457 8.937 -12.296 1.00 31.25 H new ATOM 0 HG2 ARG A 34 4.646 9.741 -13.022 1.00 13.24 H new ATOM 0 HG3 ARG A 34 3.546 9.738 -14.386 1.00 13.24 H new ATOM 0 HD2 ARG A 34 4.181 12.247 -12.764 1.00 13.01 H new ATOM 0 HD3 ARG A 34 5.077 11.779 -14.196 1.00 13.01 H new ATOM 0 HE ARG A 34 2.219 12.680 -14.119 1.00 43.21 H new ATOM 0 HH11 ARG A 34 5.087 11.882 -16.079 1.00 22.10 H new ATOM 0 HH12 ARG A 34 4.382 12.556 -17.552 1.00 22.10 H new ATOM 0 HH21 ARG A 34 1.345 13.453 -16.039 1.00 23.25 H new ATOM 0 HH22 ARG A 34 2.293 13.432 -17.530 1.00 23.25 H new ATOM 532 N ALA A 35 0.715 8.739 -14.468 1.00 44.33 N ATOM 533 CA ALA A 35 0.393 8.066 -15.731 1.00 51.54 C ATOM 534 C ALA A 35 0.304 6.567 -15.473 1.00 74.12 C ATOM 535 O ALA A 35 -0.733 5.932 -15.701 1.00 43.45 O ATOM 536 CB ALA A 35 1.454 8.372 -16.816 1.00 13.10 C ATOM 0 H ALA A 35 0.860 8.094 -13.691 1.00 44.33 H new ATOM 0 HA ALA A 35 -0.563 8.436 -16.103 1.00 51.54 H new ATOM 0 HB1 ALA A 35 1.188 7.859 -17.740 1.00 13.10 H new ATOM 0 HB2 ALA A 35 1.492 9.447 -16.995 1.00 13.10 H new ATOM 0 HB3 ALA A 35 2.431 8.026 -16.478 1.00 13.10 H new ATOM 542 N PHE A 36 1.421 6.014 -14.986 1.00 23.43 N ATOM 543 CA PHE A 36 1.547 4.593 -14.659 1.00 3.22 C ATOM 544 C PHE A 36 1.109 4.367 -13.203 1.00 2.42 C ATOM 545 O PHE A 36 1.458 5.157 -12.318 1.00 21.35 O ATOM 546 CB PHE A 36 3.015 4.143 -14.882 1.00 35.34 C ATOM 547 CG PHE A 36 3.333 2.694 -14.495 1.00 72.21 C ATOM 548 CD1 PHE A 36 2.684 1.626 -15.108 1.00 3.43 C ATOM 549 CD2 PHE A 36 4.289 2.402 -13.515 1.00 51.23 C ATOM 550 CE1 PHE A 36 2.978 0.326 -14.754 1.00 44.03 C ATOM 551 CE2 PHE A 36 4.582 1.100 -13.165 1.00 5.52 C ATOM 552 CZ PHE A 36 3.926 0.064 -13.783 1.00 15.30 C ATOM 0 H PHE A 36 2.271 6.548 -14.807 1.00 23.43 H new ATOM 0 HA PHE A 36 0.905 3.997 -15.307 1.00 3.22 H new ATOM 0 HB2 PHE A 36 3.262 4.281 -15.935 1.00 35.34 H new ATOM 0 HB3 PHE A 36 3.669 4.804 -14.312 1.00 35.34 H new ATOM 0 HD1 PHE A 36 1.942 1.818 -15.869 1.00 3.43 H new ATOM 0 HD2 PHE A 36 4.807 3.212 -13.023 1.00 51.23 H new ATOM 0 HE1 PHE A 36 2.465 -0.492 -15.238 1.00 44.03 H new ATOM 0 HE2 PHE A 36 5.325 0.896 -12.408 1.00 5.52 H new ATOM 0 HZ PHE A 36 4.151 -0.956 -13.510 1.00 15.30 H new ATOM 562 N ASN A 37 0.330 3.293 -12.977 1.00 3.20 N ATOM 563 CA ASN A 37 -0.087 2.874 -11.626 1.00 64.20 C ATOM 564 C ASN A 37 1.101 2.281 -10.880 1.00 63.34 C ATOM 565 O ASN A 37 2.033 1.774 -11.501 1.00 0.11 O ATOM 566 CB ASN A 37 -1.214 1.823 -11.687 1.00 51.42 C ATOM 567 CG ASN A 37 -2.464 2.344 -12.381 1.00 74.21 C ATOM 568 OD1 ASN A 37 -3.280 2.998 -11.757 1.00 51.12 O ATOM 569 ND2 ASN A 37 -2.627 2.058 -13.668 1.00 61.42 N ATOM 0 H ASN A 37 -0.027 2.694 -13.722 1.00 3.20 H new ATOM 0 HA ASN A 37 -0.459 3.756 -11.104 1.00 64.20 H new ATOM 0 HB2 ASN A 37 -0.853 0.939 -12.213 1.00 51.42 H new ATOM 0 HB3 ASN A 37 -1.469 1.510 -10.674 1.00 51.42 H new ATOM 0 HD21 ASN A 37 -3.455 2.389 -14.163 1.00 61.42 H new ATOM 0 HD22 ASN A 37 -1.924 1.508 -14.161 1.00 61.42 H new ATOM 576 N VAL A 38 1.050 2.334 -9.549 1.00 20.24 N ATOM 577 CA VAL A 38 2.107 1.782 -8.706 1.00 11.41 C ATOM 578 C VAL A 38 2.188 0.245 -8.897 1.00 53.41 C ATOM 579 O VAL A 38 1.227 -0.476 -8.596 1.00 13.43 O ATOM 580 CB VAL A 38 1.885 2.136 -7.192 1.00 34.45 C ATOM 581 CG1 VAL A 38 3.089 1.686 -6.346 1.00 1.31 C ATOM 582 CG2 VAL A 38 1.592 3.644 -6.996 1.00 23.01 C ATOM 0 H VAL A 38 0.281 2.757 -9.030 1.00 20.24 H new ATOM 0 HA VAL A 38 3.051 2.232 -9.012 1.00 11.41 H new ATOM 0 HB VAL A 38 1.006 1.591 -6.848 1.00 34.45 H new ATOM 0 HG11 VAL A 38 2.915 1.941 -5.301 1.00 1.31 H new ATOM 0 HG12 VAL A 38 3.217 0.608 -6.440 1.00 1.31 H new ATOM 0 HG13 VAL A 38 3.989 2.190 -6.697 1.00 1.31 H new ATOM 0 HG21 VAL A 38 1.444 3.851 -5.936 1.00 23.01 H new ATOM 0 HG22 VAL A 38 2.434 4.229 -7.366 1.00 23.01 H new ATOM 0 HG23 VAL A 38 0.692 3.914 -7.548 1.00 23.01 H new ATOM 592 N GLU A 39 3.332 -0.208 -9.445 1.00 70.22 N ATOM 593 CA GLU A 39 3.622 -1.626 -9.723 1.00 23.34 C ATOM 594 C GLU A 39 3.527 -2.461 -8.436 1.00 14.22 C ATOM 595 O GLU A 39 2.858 -3.502 -8.406 1.00 21.33 O ATOM 596 CB GLU A 39 5.047 -1.744 -10.333 1.00 14.22 C ATOM 597 CG GLU A 39 5.474 -3.171 -10.749 1.00 3.32 C ATOM 598 CD GLU A 39 6.940 -3.256 -11.209 1.00 13.45 C ATOM 599 OE1 GLU A 39 7.331 -2.482 -12.107 1.00 52.53 O ATOM 600 OE2 GLU A 39 7.706 -4.080 -10.660 1.00 44.21 O ATOM 0 H GLU A 39 4.095 0.415 -9.712 1.00 70.22 H new ATOM 0 HA GLU A 39 2.887 -2.009 -10.431 1.00 23.34 H new ATOM 0 HB2 GLU A 39 5.104 -1.096 -11.208 1.00 14.22 H new ATOM 0 HB3 GLU A 39 5.767 -1.364 -9.608 1.00 14.22 H new ATOM 0 HG2 GLU A 39 5.324 -3.848 -9.908 1.00 3.32 H new ATOM 0 HG3 GLU A 39 4.827 -3.516 -11.555 1.00 3.32 H new ATOM 607 N GLY A 40 4.171 -1.962 -7.363 1.00 4.32 N ATOM 608 CA GLY A 40 4.209 -2.673 -6.084 1.00 33.02 C ATOM 609 C GLY A 40 4.295 -1.729 -4.902 1.00 5.15 C ATOM 610 O GLY A 40 4.857 -0.653 -5.010 1.00 4.20 O ATOM 0 H GLY A 40 4.669 -1.072 -7.363 1.00 4.32 H new ATOM 0 HA2 GLY A 40 3.316 -3.291 -5.988 1.00 33.02 H new ATOM 0 HA3 GLY A 40 5.066 -3.347 -6.071 1.00 33.02 H new ATOM 614 N ILE A 41 3.734 -2.142 -3.762 1.00 11.21 N ATOM 615 CA ILE A 41 3.699 -1.349 -2.508 1.00 34.14 C ATOM 616 C ILE A 41 4.123 -2.271 -1.350 1.00 24.33 C ATOM 617 O ILE A 41 3.866 -3.470 -1.402 1.00 2.31 O ATOM 618 CB ILE A 41 2.242 -0.787 -2.219 1.00 34.35 C ATOM 619 CG1 ILE A 41 1.711 0.071 -3.408 1.00 70.33 C ATOM 620 CG2 ILE A 41 2.165 0.008 -0.902 1.00 33.32 C ATOM 621 CD1 ILE A 41 0.283 0.572 -3.248 1.00 12.25 C ATOM 0 H ILE A 41 3.281 -3.051 -3.672 1.00 11.21 H new ATOM 0 HA ILE A 41 4.374 -0.499 -2.605 1.00 34.14 H new ATOM 0 HB ILE A 41 1.597 -1.659 -2.110 1.00 34.35 H new ATOM 0 HG12 ILE A 41 2.369 0.930 -3.540 1.00 70.33 H new ATOM 0 HG13 ILE A 41 1.773 -0.521 -4.321 1.00 70.33 H new ATOM 0 HG21 ILE A 41 1.147 0.369 -0.754 1.00 33.32 H new ATOM 0 HG22 ILE A 41 2.446 -0.638 -0.070 1.00 33.32 H new ATOM 0 HG23 ILE A 41 2.848 0.856 -0.949 1.00 33.32 H new ATOM 0 HD11 ILE A 41 0.003 1.158 -4.123 1.00 12.25 H new ATOM 0 HD12 ILE A 41 -0.392 -0.278 -3.149 1.00 12.25 H new ATOM 0 HD13 ILE A 41 0.214 1.195 -2.357 1.00 12.25 H new ATOM 633 N LEU A 42 4.783 -1.720 -0.326 1.00 34.35 N ATOM 634 CA LEU A 42 5.017 -2.437 0.941 1.00 3.13 C ATOM 635 C LEU A 42 5.092 -1.429 2.091 1.00 53.35 C ATOM 636 O LEU A 42 6.015 -0.653 2.184 1.00 34.04 O ATOM 637 CB LEU A 42 6.290 -3.341 0.866 1.00 3.23 C ATOM 638 CG LEU A 42 6.719 -4.116 2.177 1.00 2.54 C ATOM 639 CD1 LEU A 42 5.519 -4.724 2.932 1.00 61.42 C ATOM 640 CD2 LEU A 42 7.747 -5.212 1.845 1.00 24.41 C ATOM 0 H LEU A 42 5.168 -0.776 -0.346 1.00 34.35 H new ATOM 0 HA LEU A 42 4.180 -3.110 1.127 1.00 3.13 H new ATOM 0 HB2 LEU A 42 6.133 -4.077 0.077 1.00 3.23 H new ATOM 0 HB3 LEU A 42 7.128 -2.716 0.556 1.00 3.23 H new ATOM 0 HG LEU A 42 7.174 -3.380 2.840 1.00 2.54 H new ATOM 0 HD11 LEU A 42 5.874 -5.243 3.822 1.00 61.42 H new ATOM 0 HD12 LEU A 42 4.833 -3.929 3.225 1.00 61.42 H new ATOM 0 HD13 LEU A 42 5.001 -5.430 2.283 1.00 61.42 H new ATOM 0 HD21 LEU A 42 8.030 -5.734 2.759 1.00 24.41 H new ATOM 0 HD22 LEU A 42 7.309 -5.921 1.143 1.00 24.41 H new ATOM 0 HD23 LEU A 42 8.631 -4.758 1.398 1.00 24.41 H new ATOM 652 N CYS A 43 4.060 -1.430 2.927 1.00 13.21 N ATOM 653 CA CYS A 43 4.002 -0.652 4.163 1.00 72.33 C ATOM 654 C CYS A 43 4.419 -1.538 5.344 1.00 2.32 C ATOM 655 O CYS A 43 3.679 -2.445 5.751 1.00 24.15 O ATOM 656 CB CYS A 43 2.582 -0.119 4.354 1.00 62.31 C ATOM 657 SG CYS A 43 2.233 0.610 5.952 1.00 32.43 S ATOM 0 H CYS A 43 3.220 -1.984 2.762 1.00 13.21 H new ATOM 0 HA CYS A 43 4.688 0.193 4.108 1.00 72.33 H new ATOM 0 HB2 CYS A 43 2.388 0.628 3.584 1.00 62.31 H new ATOM 0 HB3 CYS A 43 1.881 -0.937 4.188 1.00 62.31 H new ATOM 0 HG CYS A 43 2.864 1.741 6.060 1.00 32.43 H new ATOM 663 N LEU A 44 5.635 -1.295 5.844 1.00 11.01 N ATOM 664 CA LEU A 44 6.198 -2.010 6.994 1.00 63.11 C ATOM 665 C LEU A 44 6.041 -1.113 8.236 1.00 45.44 C ATOM 666 O LEU A 44 6.673 -0.045 8.296 1.00 31.14 O ATOM 667 CB LEU A 44 7.691 -2.312 6.722 1.00 51.25 C ATOM 668 CG LEU A 44 8.398 -3.365 7.628 1.00 15.45 C ATOM 669 CD1 LEU A 44 7.868 -4.789 7.364 1.00 50.40 C ATOM 670 CD2 LEU A 44 9.924 -3.301 7.426 1.00 70.33 C ATOM 0 H LEU A 44 6.262 -0.589 5.458 1.00 11.01 H new ATOM 0 HA LEU A 44 5.681 -2.955 7.160 1.00 63.11 H new ATOM 0 HB2 LEU A 44 7.782 -2.645 5.688 1.00 51.25 H new ATOM 0 HB3 LEU A 44 8.242 -1.375 6.805 1.00 51.25 H new ATOM 0 HG LEU A 44 8.171 -3.123 8.666 1.00 15.45 H new ATOM 0 HD11 LEU A 44 8.384 -5.496 8.014 1.00 50.40 H new ATOM 0 HD12 LEU A 44 6.798 -4.823 7.569 1.00 50.40 H new ATOM 0 HD13 LEU A 44 8.047 -5.056 6.323 1.00 50.40 H new ATOM 0 HD21 LEU A 44 10.407 -4.041 8.064 1.00 70.33 H new ATOM 0 HD22 LEU A 44 10.162 -3.510 6.383 1.00 70.33 H new ATOM 0 HD23 LEU A 44 10.284 -2.306 7.688 1.00 70.33 H new ATOM 682 N PRO A 45 5.152 -1.480 9.208 1.00 13.41 N ATOM 683 CA PRO A 45 5.013 -0.719 10.470 1.00 42.42 C ATOM 684 C PRO A 45 6.295 -0.819 11.328 1.00 1.04 C ATOM 685 O PRO A 45 6.667 -1.912 11.780 1.00 25.15 O ATOM 686 CB PRO A 45 3.787 -1.379 11.163 1.00 12.15 C ATOM 687 CG PRO A 45 3.696 -2.760 10.571 1.00 1.03 C ATOM 688 CD PRO A 45 4.202 -2.633 9.146 1.00 41.44 C ATOM 0 HA PRO A 45 4.869 0.350 10.312 1.00 42.42 H new ATOM 0 HB2 PRO A 45 3.921 -1.422 12.244 1.00 12.15 H new ATOM 0 HB3 PRO A 45 2.876 -0.810 10.977 1.00 12.15 H new ATOM 0 HG2 PRO A 45 4.299 -3.469 11.138 1.00 1.03 H new ATOM 0 HG3 PRO A 45 2.670 -3.127 10.590 1.00 1.03 H new ATOM 0 HD2 PRO A 45 4.700 -3.545 8.815 1.00 41.44 H new ATOM 0 HD3 PRO A 45 3.387 -2.443 8.447 1.00 41.44 H new ATOM 696 N ILE A 46 6.977 0.332 11.506 1.00 25.33 N ATOM 697 CA ILE A 46 8.259 0.407 12.226 1.00 21.42 C ATOM 698 C ILE A 46 8.059 0.012 13.704 1.00 12.35 C ATOM 699 O ILE A 46 7.204 0.572 14.395 1.00 60.55 O ATOM 700 CB ILE A 46 8.891 1.845 12.127 1.00 50.11 C ATOM 701 CG1 ILE A 46 9.063 2.289 10.634 1.00 71.33 C ATOM 702 CG2 ILE A 46 10.242 1.918 12.882 1.00 33.43 C ATOM 703 CD1 ILE A 46 9.944 1.389 9.787 1.00 74.22 C ATOM 0 H ILE A 46 6.652 1.233 11.154 1.00 25.33 H new ATOM 0 HA ILE A 46 8.950 -0.293 11.757 1.00 21.42 H new ATOM 0 HB ILE A 46 8.201 2.539 12.606 1.00 50.11 H new ATOM 0 HG12 ILE A 46 8.077 2.343 10.172 1.00 71.33 H new ATOM 0 HG13 ILE A 46 9.479 3.297 10.617 1.00 71.33 H new ATOM 0 HG21 ILE A 46 10.653 2.924 12.795 1.00 33.43 H new ATOM 0 HG22 ILE A 46 10.084 1.680 13.934 1.00 33.43 H new ATOM 0 HG23 ILE A 46 10.940 1.202 12.449 1.00 33.43 H new ATOM 0 HD11 ILE A 46 9.998 1.783 8.772 1.00 74.22 H new ATOM 0 HD12 ILE A 46 10.945 1.352 10.216 1.00 74.22 H new ATOM 0 HD13 ILE A 46 9.522 0.384 9.764 1.00 74.22 H new ATOM 715 N GLN A 47 8.858 -0.961 14.171 1.00 22.13 N ATOM 716 CA GLN A 47 8.740 -1.546 15.527 1.00 72.05 C ATOM 717 C GLN A 47 9.180 -0.571 16.641 1.00 60.00 C ATOM 718 O GLN A 47 8.800 -0.739 17.807 1.00 12.21 O ATOM 719 CB GLN A 47 9.595 -2.835 15.604 1.00 23.20 C ATOM 720 CG GLN A 47 11.112 -2.592 15.463 1.00 42.34 C ATOM 721 CD GLN A 47 11.930 -3.871 15.393 1.00 35.44 C ATOM 722 OE1 GLN A 47 12.377 -4.398 16.411 1.00 31.01 O ATOM 723 NE2 GLN A 47 12.134 -4.375 14.187 1.00 4.41 N ATOM 0 H GLN A 47 9.611 -1.370 13.618 1.00 22.13 H new ATOM 0 HA GLN A 47 7.686 -1.769 15.693 1.00 72.05 H new ATOM 0 HB2 GLN A 47 9.404 -3.329 16.557 1.00 23.20 H new ATOM 0 HB3 GLN A 47 9.273 -3.520 14.819 1.00 23.20 H new ATOM 0 HG2 GLN A 47 11.295 -2.004 14.564 1.00 42.34 H new ATOM 0 HG3 GLN A 47 11.456 -1.997 16.309 1.00 42.34 H new ATOM 0 HE21 GLN A 47 11.746 -3.908 13.367 1.00 4.41 H new ATOM 0 HE22 GLN A 47 12.679 -5.230 14.077 1.00 4.41 H new ATOM 732 N ASP A 48 10.006 0.415 16.271 1.00 32.04 N ATOM 733 CA ASP A 48 10.650 1.328 17.230 1.00 61.31 C ATOM 734 C ASP A 48 9.702 2.467 17.652 1.00 5.54 C ATOM 735 O ASP A 48 9.639 2.835 18.829 1.00 61.52 O ATOM 736 CB ASP A 48 11.939 1.919 16.597 1.00 30.35 C ATOM 737 CG ASP A 48 12.940 0.837 16.142 1.00 21.23 C ATOM 738 OD1 ASP A 48 13.728 0.357 16.977 1.00 65.12 O ATOM 739 OD2 ASP A 48 12.938 0.463 14.948 1.00 52.24 O ATOM 0 H ASP A 48 10.248 0.605 15.299 1.00 32.04 H new ATOM 0 HA ASP A 48 10.904 0.759 18.124 1.00 61.31 H new ATOM 0 HB2 ASP A 48 11.666 2.536 15.741 1.00 30.35 H new ATOM 0 HB3 ASP A 48 12.425 2.574 17.320 1.00 30.35 H new ATOM 744 N SER A 49 8.962 3.011 16.681 1.00 12.24 N ATOM 745 CA SER A 49 8.081 4.183 16.889 1.00 5.23 C ATOM 746 C SER A 49 6.802 4.042 16.062 1.00 40.30 C ATOM 747 O SER A 49 6.710 3.149 15.216 1.00 25.42 O ATOM 748 CB SER A 49 8.834 5.479 16.502 1.00 54.40 C ATOM 749 OG SER A 49 10.009 5.651 17.279 1.00 71.31 O ATOM 0 H SER A 49 8.951 2.657 15.725 1.00 12.24 H new ATOM 0 HA SER A 49 7.804 4.235 17.942 1.00 5.23 H new ATOM 0 HB2 SER A 49 9.098 5.446 15.445 1.00 54.40 H new ATOM 0 HB3 SER A 49 8.177 6.338 16.640 1.00 54.40 H new ATOM 0 HG SER A 49 10.462 6.477 17.009 1.00 71.31 H new ATOM 755 N ASP A 50 5.814 4.935 16.306 1.00 15.15 N ATOM 756 CA ASP A 50 4.562 4.959 15.531 1.00 11.03 C ATOM 757 C ASP A 50 4.840 5.525 14.121 1.00 35.24 C ATOM 758 O ASP A 50 4.633 6.702 13.840 1.00 43.30 O ATOM 759 CB ASP A 50 3.430 5.741 16.287 1.00 44.54 C ATOM 760 CG ASP A 50 3.730 7.238 16.560 1.00 72.24 C ATOM 761 OD1 ASP A 50 4.640 7.533 17.365 1.00 73.35 O ATOM 762 OD2 ASP A 50 3.065 8.123 15.965 1.00 54.21 O ATOM 0 H ASP A 50 5.865 5.647 17.035 1.00 15.15 H new ATOM 0 HA ASP A 50 4.191 3.940 15.417 1.00 11.03 H new ATOM 0 HB2 ASP A 50 2.511 5.672 15.704 1.00 44.54 H new ATOM 0 HB3 ASP A 50 3.242 5.245 17.239 1.00 44.54 H new ATOM 767 N LYS A 51 5.394 4.666 13.252 1.00 55.21 N ATOM 768 CA LYS A 51 5.771 5.020 11.881 1.00 4.24 C ATOM 769 C LYS A 51 5.369 3.887 10.943 1.00 51.41 C ATOM 770 O LYS A 51 5.098 2.757 11.375 1.00 64.34 O ATOM 771 CB LYS A 51 7.298 5.301 11.776 1.00 11.04 C ATOM 772 CG LYS A 51 7.800 6.531 12.565 1.00 64.34 C ATOM 773 CD LYS A 51 9.337 6.687 12.482 1.00 13.12 C ATOM 774 CE LYS A 51 9.862 7.879 13.292 1.00 42.24 C ATOM 775 NZ LYS A 51 11.348 7.980 13.252 1.00 73.30 N ATOM 0 H LYS A 51 5.594 3.694 13.488 1.00 55.21 H new ATOM 0 HA LYS A 51 5.249 5.933 11.594 1.00 4.24 H new ATOM 0 HB2 LYS A 51 7.837 4.421 12.126 1.00 11.04 H new ATOM 0 HB3 LYS A 51 7.554 5.435 10.725 1.00 11.04 H new ATOM 0 HG2 LYS A 51 7.323 7.430 12.176 1.00 64.34 H new ATOM 0 HG3 LYS A 51 7.501 6.438 13.609 1.00 64.34 H new ATOM 0 HD2 LYS A 51 9.810 5.773 12.842 1.00 13.12 H new ATOM 0 HD3 LYS A 51 9.629 6.807 11.439 1.00 13.12 H new ATOM 0 HE2 LYS A 51 9.427 8.800 12.903 1.00 42.24 H new ATOM 0 HE3 LYS A 51 9.534 7.784 14.327 1.00 42.24 H new ATOM 0 HZ1 LYS A 51 11.655 8.800 13.813 1.00 73.30 H new ATOM 0 HZ2 LYS A 51 11.766 7.114 13.647 1.00 73.30 H new ATOM 0 HZ3 LYS A 51 11.662 8.097 12.267 1.00 73.30 H new ATOM 789 N SER A 52 5.361 4.207 9.661 1.00 34.53 N ATOM 790 CA SER A 52 4.875 3.338 8.600 1.00 73.03 C ATOM 791 C SER A 52 5.712 3.631 7.357 1.00 13.22 C ATOM 792 O SER A 52 5.602 4.707 6.774 1.00 41.25 O ATOM 793 CB SER A 52 3.372 3.634 8.366 1.00 21.31 C ATOM 794 OG SER A 52 2.829 2.819 7.365 1.00 23.13 O ATOM 0 H SER A 52 5.702 5.105 9.318 1.00 34.53 H new ATOM 0 HA SER A 52 4.969 2.282 8.854 1.00 73.03 H new ATOM 0 HB2 SER A 52 2.823 3.482 9.295 1.00 21.31 H new ATOM 0 HB3 SER A 52 3.247 4.681 8.089 1.00 21.31 H new ATOM 0 HG SER A 52 2.717 1.908 7.710 1.00 23.13 H new ATOM 800 N HIS A 53 6.597 2.707 6.989 1.00 12.25 N ATOM 801 CA HIS A 53 7.555 2.922 5.895 1.00 22.25 C ATOM 802 C HIS A 53 7.043 2.214 4.632 1.00 14.33 C ATOM 803 O HIS A 53 7.144 0.993 4.522 1.00 44.23 O ATOM 804 CB HIS A 53 8.944 2.387 6.332 1.00 15.23 C ATOM 805 CG HIS A 53 10.113 2.805 5.480 1.00 72.51 C ATOM 806 ND1 HIS A 53 11.267 3.318 6.019 1.00 52.10 N ATOM 807 CD2 HIS A 53 10.333 2.724 4.150 1.00 53.42 C ATOM 808 CE1 HIS A 53 12.140 3.524 5.064 1.00 44.20 C ATOM 809 NE2 HIS A 53 11.604 3.169 3.921 1.00 41.41 N ATOM 0 H HIS A 53 6.674 1.793 7.434 1.00 12.25 H new ATOM 0 HA HIS A 53 7.655 3.983 5.668 1.00 22.25 H new ATOM 0 HB2 HIS A 53 9.131 2.713 7.355 1.00 15.23 H new ATOM 0 HB3 HIS A 53 8.903 1.298 6.347 1.00 15.23 H new ATOM 0 HD1 HIS A 53 11.421 3.509 7.009 1.00 52.10 H new ATOM 0 HD2 HIS A 53 9.634 2.373 3.406 1.00 53.42 H new ATOM 0 HE1 HIS A 53 13.136 3.920 5.196 1.00 44.20 H new ATOM 818 N ILE A 54 6.476 2.993 3.701 1.00 12.21 N ATOM 819 CA ILE A 54 5.894 2.465 2.463 1.00 44.01 C ATOM 820 C ILE A 54 6.908 2.601 1.300 1.00 62.42 C ATOM 821 O ILE A 54 7.309 3.713 0.970 1.00 31.03 O ATOM 822 CB ILE A 54 4.540 3.185 2.061 1.00 12.25 C ATOM 823 CG1 ILE A 54 3.505 3.268 3.238 1.00 21.21 C ATOM 824 CG2 ILE A 54 3.904 2.454 0.870 1.00 4.20 C ATOM 825 CD1 ILE A 54 3.739 4.387 4.224 1.00 40.35 C ATOM 0 H ILE A 54 6.409 4.007 3.786 1.00 12.21 H new ATOM 0 HA ILE A 54 5.664 1.416 2.649 1.00 44.01 H new ATOM 0 HB ILE A 54 4.797 4.210 1.795 1.00 12.25 H new ATOM 0 HG12 ILE A 54 2.507 3.381 2.815 1.00 21.21 H new ATOM 0 HG13 ILE A 54 3.517 2.321 3.778 1.00 21.21 H new ATOM 0 HG21 ILE A 54 2.973 2.949 0.594 1.00 4.20 H new ATOM 0 HG22 ILE A 54 4.590 2.473 0.023 1.00 4.20 H new ATOM 0 HG23 ILE A 54 3.697 1.420 1.146 1.00 4.20 H new ATOM 0 HD11 ILE A 54 2.971 4.357 4.997 1.00 40.35 H new ATOM 0 HD12 ILE A 54 4.721 4.268 4.683 1.00 40.35 H new ATOM 0 HD13 ILE A 54 3.695 5.344 3.705 1.00 40.35 H new ATOM 837 N TRP A 55 7.323 1.463 0.699 1.00 1.31 N ATOM 838 CA TRP A 55 8.138 1.443 -0.538 1.00 43.44 C ATOM 839 C TRP A 55 7.184 1.435 -1.760 1.00 75.00 C ATOM 840 O TRP A 55 6.415 0.481 -1.931 1.00 21.42 O ATOM 841 CB TRP A 55 9.073 0.191 -0.566 1.00 73.04 C ATOM 842 CG TRP A 55 10.115 0.154 0.547 1.00 50.21 C ATOM 843 CD1 TRP A 55 11.384 0.646 0.507 1.00 74.04 C ATOM 844 CD2 TRP A 55 9.976 -0.410 1.848 1.00 30.02 C ATOM 845 NE1 TRP A 55 12.021 0.451 1.695 1.00 73.21 N ATOM 846 CE2 TRP A 55 11.182 -0.199 2.538 1.00 32.35 C ATOM 847 CE3 TRP A 55 8.948 -1.051 2.499 1.00 14.11 C ATOM 848 CZ2 TRP A 55 11.379 -0.614 3.845 1.00 30.14 C ATOM 849 CZ3 TRP A 55 9.137 -1.470 3.784 1.00 50.20 C ATOM 850 CH2 TRP A 55 10.343 -1.242 4.457 1.00 54.34 C ATOM 0 H TRP A 55 7.103 0.534 1.057 1.00 1.31 H new ATOM 0 HA TRP A 55 8.772 2.329 -0.570 1.00 43.44 H new ATOM 0 HB2 TRP A 55 8.459 -0.707 -0.501 1.00 73.04 H new ATOM 0 HB3 TRP A 55 9.586 0.158 -1.527 1.00 73.04 H new ATOM 0 HD1 TRP A 55 11.827 1.127 -0.353 1.00 74.04 H new ATOM 0 HE1 TRP A 55 12.973 0.746 1.914 1.00 73.21 H new ATOM 0 HE3 TRP A 55 8.005 -1.220 2.001 1.00 14.11 H new ATOM 0 HZ2 TRP A 55 12.316 -0.445 4.355 1.00 30.14 H new ATOM 0 HZ3 TRP A 55 8.338 -1.989 4.293 1.00 50.20 H new ATOM 0 HH2 TRP A 55 10.451 -1.571 5.480 1.00 54.34 H new ATOM 861 N LEU A 56 7.211 2.518 -2.572 1.00 2.02 N ATOM 862 CA LEU A 56 6.348 2.655 -3.770 1.00 13.21 C ATOM 863 C LEU A 56 7.162 2.379 -5.042 1.00 21.34 C ATOM 864 O LEU A 56 8.008 3.181 -5.429 1.00 35.10 O ATOM 865 CB LEU A 56 5.704 4.072 -3.874 1.00 31.52 C ATOM 866 CG LEU A 56 4.639 4.460 -2.796 1.00 75.32 C ATOM 867 CD1 LEU A 56 3.527 3.396 -2.686 1.00 52.03 C ATOM 868 CD2 LEU A 56 5.288 4.780 -1.433 1.00 14.21 C ATOM 0 H LEU A 56 7.827 3.316 -2.417 1.00 2.02 H new ATOM 0 HA LEU A 56 5.545 1.925 -3.670 1.00 13.21 H new ATOM 0 HB2 LEU A 56 6.506 4.810 -3.836 1.00 31.52 H new ATOM 0 HB3 LEU A 56 5.237 4.158 -4.855 1.00 31.52 H new ATOM 0 HG LEU A 56 4.159 5.380 -3.130 1.00 75.32 H new ATOM 0 HD11 LEU A 56 2.806 3.700 -1.927 1.00 52.03 H new ATOM 0 HD12 LEU A 56 3.022 3.296 -3.647 1.00 52.03 H new ATOM 0 HD13 LEU A 56 3.966 2.438 -2.406 1.00 52.03 H new ATOM 0 HD21 LEU A 56 4.513 5.044 -0.714 1.00 14.21 H new ATOM 0 HD22 LEU A 56 5.832 3.906 -1.075 1.00 14.21 H new ATOM 0 HD23 LEU A 56 5.978 5.616 -1.546 1.00 14.21 H new ATOM 880 N LEU A 57 6.881 1.243 -5.681 1.00 50.32 N ATOM 881 CA LEU A 57 7.503 0.844 -6.946 1.00 64.41 C ATOM 882 C LEU A 57 6.671 1.392 -8.111 1.00 71.03 C ATOM 883 O LEU A 57 5.583 0.889 -8.381 1.00 23.04 O ATOM 884 CB LEU A 57 7.617 -0.704 -7.052 1.00 11.42 C ATOM 885 CG LEU A 57 8.707 -1.394 -6.174 1.00 74.13 C ATOM 886 CD1 LEU A 57 8.452 -1.224 -4.664 1.00 41.32 C ATOM 887 CD2 LEU A 57 8.856 -2.877 -6.557 1.00 12.15 C ATOM 0 H LEU A 57 6.206 0.564 -5.330 1.00 50.32 H new ATOM 0 HA LEU A 57 8.511 1.256 -6.986 1.00 64.41 H new ATOM 0 HB2 LEU A 57 6.650 -1.134 -6.792 1.00 11.42 H new ATOM 0 HB3 LEU A 57 7.809 -0.959 -8.094 1.00 11.42 H new ATOM 0 HG LEU A 57 9.650 -0.888 -6.381 1.00 74.13 H new ATOM 0 HD11 LEU A 57 9.241 -1.724 -4.103 1.00 41.32 H new ATOM 0 HD12 LEU A 57 8.445 -0.163 -4.413 1.00 41.32 H new ATOM 0 HD13 LEU A 57 7.489 -1.664 -4.406 1.00 41.32 H new ATOM 0 HD21 LEU A 57 9.621 -3.339 -5.933 1.00 12.15 H new ATOM 0 HD22 LEU A 57 7.906 -3.389 -6.405 1.00 12.15 H new ATOM 0 HD23 LEU A 57 9.147 -2.955 -7.605 1.00 12.15 H new ATOM 899 N VAL A 58 7.195 2.436 -8.764 1.00 14.25 N ATOM 900 CA VAL A 58 6.576 3.070 -9.964 1.00 54.35 C ATOM 901 C VAL A 58 7.701 3.407 -10.948 1.00 51.54 C ATOM 902 O VAL A 58 8.818 3.647 -10.505 1.00 33.33 O ATOM 903 CB VAL A 58 5.779 4.378 -9.574 1.00 31.41 C ATOM 904 CG1 VAL A 58 6.706 5.482 -9.027 1.00 22.42 C ATOM 905 CG2 VAL A 58 4.896 4.900 -10.740 1.00 35.01 C ATOM 0 H VAL A 58 8.069 2.879 -8.482 1.00 14.25 H new ATOM 0 HA VAL A 58 5.862 2.381 -10.416 1.00 54.35 H new ATOM 0 HB VAL A 58 5.104 4.096 -8.766 1.00 31.41 H new ATOM 0 HG11 VAL A 58 6.114 6.361 -8.773 1.00 22.42 H new ATOM 0 HG12 VAL A 58 7.218 5.119 -8.136 1.00 22.42 H new ATOM 0 HG13 VAL A 58 7.442 5.748 -9.785 1.00 22.42 H new ATOM 0 HG21 VAL A 58 4.369 5.800 -10.423 1.00 35.01 H new ATOM 0 HG22 VAL A 58 5.527 5.133 -11.598 1.00 35.01 H new ATOM 0 HG23 VAL A 58 4.172 4.135 -11.019 1.00 35.01 H new ATOM 915 N ASN A 59 7.441 3.407 -12.266 1.00 61.22 N ATOM 916 CA ASN A 59 8.500 3.721 -13.245 1.00 3.44 C ATOM 917 C ASN A 59 8.865 5.210 -13.165 1.00 10.13 C ATOM 918 O ASN A 59 7.986 6.082 -13.065 1.00 25.44 O ATOM 919 CB ASN A 59 8.143 3.300 -14.693 1.00 45.03 C ATOM 920 CG ASN A 59 7.004 4.094 -15.345 1.00 20.55 C ATOM 921 OD1 ASN A 59 6.128 4.631 -14.678 1.00 63.05 O ATOM 922 ND2 ASN A 59 7.003 4.166 -16.664 1.00 20.51 N ATOM 0 H ASN A 59 6.529 3.199 -12.673 1.00 61.22 H new ATOM 0 HA ASN A 59 9.372 3.125 -12.976 1.00 3.44 H new ATOM 0 HB2 ASN A 59 9.034 3.399 -15.313 1.00 45.03 H new ATOM 0 HB3 ASN A 59 7.873 2.244 -14.691 1.00 45.03 H new ATOM 0 HD21 ASN A 59 6.263 4.676 -17.146 1.00 20.51 H new ATOM 0 HD22 ASN A 59 7.742 3.711 -17.200 1.00 20.51 H new ATOM 929 N ASP A 60 10.173 5.474 -13.144 1.00 0.34 N ATOM 930 CA ASP A 60 10.722 6.825 -13.051 1.00 72.40 C ATOM 931 C ASP A 60 10.310 7.665 -14.268 1.00 63.42 C ATOM 932 O ASP A 60 10.321 7.181 -15.407 1.00 1.54 O ATOM 933 CB ASP A 60 12.258 6.772 -12.933 1.00 24.51 C ATOM 934 CG ASP A 60 12.886 8.168 -12.743 1.00 73.44 C ATOM 935 OD1 ASP A 60 12.771 8.729 -11.635 1.00 12.31 O ATOM 936 OD2 ASP A 60 13.468 8.717 -13.707 1.00 33.11 O ATOM 0 H ASP A 60 10.887 4.747 -13.192 1.00 0.34 H new ATOM 0 HA ASP A 60 10.318 7.298 -12.156 1.00 72.40 H new ATOM 0 HB2 ASP A 60 12.532 6.136 -12.091 1.00 24.51 H new ATOM 0 HB3 ASP A 60 12.672 6.310 -13.829 1.00 24.51 H new ATOM 941 N ASP A 61 9.941 8.918 -13.998 1.00 43.21 N ATOM 942 CA ASP A 61 9.483 9.866 -15.006 1.00 44.25 C ATOM 943 C ASP A 61 10.005 11.265 -14.628 1.00 75.11 C ATOM 944 O ASP A 61 10.261 11.532 -13.445 1.00 73.41 O ATOM 945 CB ASP A 61 7.937 9.813 -15.080 1.00 33.22 C ATOM 946 CG ASP A 61 7.333 10.815 -16.068 1.00 4.24 C ATOM 947 OD1 ASP A 61 7.274 10.535 -17.277 1.00 71.45 O ATOM 948 OD2 ASP A 61 6.922 11.895 -15.637 1.00 52.33 O ATOM 0 H ASP A 61 9.954 9.306 -13.055 1.00 43.21 H new ATOM 0 HA ASP A 61 9.867 9.617 -15.995 1.00 44.25 H new ATOM 0 HB2 ASP A 61 7.630 8.806 -15.364 1.00 33.22 H new ATOM 0 HB3 ASP A 61 7.528 10.003 -14.088 1.00 33.22 H new ATOM 953 N GLN A 62 10.168 12.144 -15.628 1.00 63.12 N ATOM 954 CA GLN A 62 10.716 13.508 -15.429 1.00 51.44 C ATOM 955 C GLN A 62 9.810 14.349 -14.511 1.00 44.44 C ATOM 956 O GLN A 62 10.286 15.080 -13.641 1.00 64.42 O ATOM 957 CB GLN A 62 10.909 14.202 -16.799 1.00 53.11 C ATOM 958 CG GLN A 62 11.952 13.517 -17.700 1.00 15.32 C ATOM 959 CD GLN A 62 12.060 14.154 -19.087 1.00 4.42 C ATOM 960 OE1 GLN A 62 12.819 15.103 -19.297 1.00 21.23 O ATOM 961 NE2 GLN A 62 11.299 13.636 -20.044 1.00 43.22 N ATOM 0 H GLN A 62 9.927 11.937 -16.597 1.00 63.12 H new ATOM 0 HA GLN A 62 11.685 13.421 -14.937 1.00 51.44 H new ATOM 0 HB2 GLN A 62 9.952 14.228 -17.321 1.00 53.11 H new ATOM 0 HB3 GLN A 62 11.209 15.237 -16.633 1.00 53.11 H new ATOM 0 HG2 GLN A 62 12.926 13.556 -17.212 1.00 15.32 H new ATOM 0 HG3 GLN A 62 11.693 12.464 -17.810 1.00 15.32 H new ATOM 0 HE21 GLN A 62 10.682 12.851 -19.836 1.00 43.22 H new ATOM 0 HE22 GLN A 62 11.331 14.023 -20.987 1.00 43.22 H new ATOM 970 N ARG A 63 8.498 14.183 -14.704 1.00 61.55 N ATOM 971 CA ARG A 63 7.456 14.910 -13.958 1.00 2.22 C ATOM 972 C ARG A 63 7.219 14.254 -12.581 1.00 54.23 C ATOM 973 O ARG A 63 6.779 14.926 -11.647 1.00 41.23 O ATOM 974 CB ARG A 63 6.148 14.958 -14.794 1.00 32.32 C ATOM 975 CG ARG A 63 4.981 15.750 -14.158 1.00 43.15 C ATOM 976 CD ARG A 63 5.281 17.251 -13.975 1.00 31.51 C ATOM 977 NE ARG A 63 4.163 17.960 -13.320 1.00 13.22 N ATOM 978 CZ ARG A 63 3.838 19.253 -13.508 1.00 24.24 C ATOM 979 NH1 ARG A 63 4.540 20.024 -14.342 1.00 74.43 N ATOM 980 NH2 ARG A 63 2.803 19.770 -12.855 1.00 13.23 N ATOM 0 H ARG A 63 8.120 13.531 -15.392 1.00 61.55 H new ATOM 0 HA ARG A 63 7.789 15.933 -13.782 1.00 2.22 H new ATOM 0 HB2 ARG A 63 6.374 15.396 -15.766 1.00 32.32 H new ATOM 0 HB3 ARG A 63 5.815 13.936 -14.975 1.00 32.32 H new ATOM 0 HG2 ARG A 63 4.095 15.639 -14.782 1.00 43.15 H new ATOM 0 HG3 ARG A 63 4.744 15.314 -13.187 1.00 43.15 H new ATOM 0 HD2 ARG A 63 6.186 17.370 -13.379 1.00 31.51 H new ATOM 0 HD3 ARG A 63 5.478 17.703 -14.947 1.00 31.51 H new ATOM 0 HE ARG A 63 3.588 17.424 -12.670 1.00 13.22 H new ATOM 0 HH11 ARG A 63 5.336 19.635 -14.848 1.00 74.43 H new ATOM 0 HH12 ARG A 63 4.280 21.002 -14.473 1.00 74.43 H new ATOM 0 HH21 ARG A 63 2.261 19.188 -12.216 1.00 13.23 H new ATOM 0 HH22 ARG A 63 2.551 20.749 -12.992 1.00 13.23 H new ATOM 994 N LEU A 64 7.504 12.932 -12.485 1.00 24.42 N ATOM 995 CA LEU A 64 7.327 12.122 -11.246 1.00 42.23 C ATOM 996 C LEU A 64 7.978 12.792 -10.007 1.00 43.51 C ATOM 997 O LEU A 64 7.441 12.701 -8.900 1.00 44.53 O ATOM 998 CB LEU A 64 7.944 10.719 -11.453 1.00 43.11 C ATOM 999 CG LEU A 64 7.665 9.644 -10.352 1.00 71.42 C ATOM 1000 CD1 LEU A 64 6.230 9.092 -10.443 1.00 55.31 C ATOM 1001 CD2 LEU A 64 8.690 8.502 -10.424 1.00 65.43 C ATOM 0 H LEU A 64 7.866 12.390 -13.270 1.00 24.42 H new ATOM 0 HA LEU A 64 6.257 12.044 -11.056 1.00 42.23 H new ATOM 0 HB2 LEU A 64 7.583 10.329 -12.405 1.00 43.11 H new ATOM 0 HB3 LEU A 64 9.024 10.835 -11.545 1.00 43.11 H new ATOM 0 HG LEU A 64 7.768 10.138 -9.386 1.00 71.42 H new ATOM 0 HD11 LEU A 64 6.076 8.348 -9.661 1.00 55.31 H new ATOM 0 HD12 LEU A 64 5.518 9.907 -10.314 1.00 55.31 H new ATOM 0 HD13 LEU A 64 6.079 8.630 -11.419 1.00 55.31 H new ATOM 0 HD21 LEU A 64 8.473 7.769 -9.647 1.00 65.43 H new ATOM 0 HD22 LEU A 64 8.633 8.023 -11.402 1.00 65.43 H new ATOM 0 HD23 LEU A 64 9.692 8.903 -10.274 1.00 65.43 H new ATOM 1013 N GLU A 65 9.118 13.491 -10.228 1.00 30.12 N ATOM 1014 CA GLU A 65 9.874 14.192 -9.167 1.00 74.12 C ATOM 1015 C GLU A 65 9.037 15.280 -8.469 1.00 74.10 C ATOM 1016 O GLU A 65 9.241 15.563 -7.287 1.00 75.24 O ATOM 1017 CB GLU A 65 11.152 14.824 -9.754 1.00 45.14 C ATOM 1018 CG GLU A 65 12.108 13.821 -10.418 1.00 43.34 C ATOM 1019 CD GLU A 65 13.410 14.479 -10.895 1.00 15.54 C ATOM 1020 OE1 GLU A 65 14.321 14.697 -10.062 1.00 2.32 O ATOM 1021 OE2 GLU A 65 13.517 14.824 -12.084 1.00 42.41 O ATOM 0 H GLU A 65 9.539 13.583 -11.152 1.00 30.12 H new ATOM 0 HA GLU A 65 10.136 13.445 -8.418 1.00 74.12 H new ATOM 0 HB2 GLU A 65 10.866 15.576 -10.489 1.00 45.14 H new ATOM 0 HB3 GLU A 65 11.685 15.343 -8.957 1.00 45.14 H new ATOM 0 HG2 GLU A 65 12.344 13.026 -9.711 1.00 43.34 H new ATOM 0 HG3 GLU A 65 11.608 13.354 -11.267 1.00 43.34 H new ATOM 1028 N GLN A 66 8.100 15.875 -9.216 1.00 32.21 N ATOM 1029 CA GLN A 66 7.199 16.917 -8.697 1.00 63.32 C ATOM 1030 C GLN A 66 6.152 16.310 -7.743 1.00 51.32 C ATOM 1031 O GLN A 66 5.726 16.972 -6.794 1.00 50.03 O ATOM 1032 CB GLN A 66 6.515 17.671 -9.867 1.00 43.44 C ATOM 1033 CG GLN A 66 7.496 18.317 -10.875 1.00 60.12 C ATOM 1034 CD GLN A 66 8.526 19.257 -10.234 1.00 43.30 C ATOM 1035 OE1 GLN A 66 9.637 18.850 -9.875 1.00 72.11 O ATOM 1036 NE2 GLN A 66 8.153 20.515 -10.059 1.00 3.43 N ATOM 0 H GLN A 66 7.943 15.649 -10.198 1.00 32.21 H new ATOM 0 HA GLN A 66 7.791 17.634 -8.129 1.00 63.32 H new ATOM 0 HB2 GLN A 66 5.869 16.975 -10.403 1.00 43.44 H new ATOM 0 HB3 GLN A 66 5.873 18.449 -9.455 1.00 43.44 H new ATOM 0 HG2 GLN A 66 8.024 17.527 -11.409 1.00 60.12 H new ATOM 0 HG3 GLN A 66 6.923 18.874 -11.616 1.00 60.12 H new ATOM 0 HE21 GLN A 66 7.230 20.821 -10.366 1.00 3.43 H new ATOM 0 HE22 GLN A 66 8.789 21.179 -9.617 1.00 3.43 H new ATOM 1045 N MET A 67 5.753 15.045 -8.006 1.00 43.25 N ATOM 1046 CA MET A 67 4.854 14.276 -7.112 1.00 10.35 C ATOM 1047 C MET A 67 5.588 13.902 -5.813 1.00 41.53 C ATOM 1048 O MET A 67 5.007 13.969 -4.726 1.00 54.22 O ATOM 1049 CB MET A 67 4.316 12.990 -7.805 1.00 23.52 C ATOM 1050 CG MET A 67 3.376 13.244 -8.988 1.00 22.10 C ATOM 1051 SD MET A 67 4.173 14.122 -10.346 1.00 10.00 S ATOM 1052 CE MET A 67 2.782 14.406 -11.427 1.00 3.14 C ATOM 0 H MET A 67 6.042 14.530 -8.838 1.00 43.25 H new ATOM 0 HA MET A 67 4.001 14.913 -6.877 1.00 10.35 H new ATOM 0 HB2 MET A 67 5.164 12.400 -8.153 1.00 23.52 H new ATOM 0 HB3 MET A 67 3.790 12.388 -7.064 1.00 23.52 H new ATOM 0 HG2 MET A 67 2.995 12.290 -9.353 1.00 22.10 H new ATOM 0 HG3 MET A 67 2.517 13.820 -8.645 1.00 22.10 H new ATOM 0 HE1 MET A 67 3.047 14.119 -12.444 1.00 3.14 H new ATOM 0 HE2 MET A 67 1.933 13.810 -11.092 1.00 3.14 H new ATOM 0 HE3 MET A 67 2.515 15.463 -11.406 1.00 3.14 H new ATOM 1062 N ILE A 68 6.874 13.524 -5.962 1.00 41.54 N ATOM 1063 CA ILE A 68 7.783 13.207 -4.841 1.00 10.44 C ATOM 1064 C ILE A 68 7.978 14.449 -3.937 1.00 5.13 C ATOM 1065 O ILE A 68 7.919 14.360 -2.704 1.00 21.14 O ATOM 1066 CB ILE A 68 9.176 12.712 -5.397 1.00 72.03 C ATOM 1067 CG1 ILE A 68 8.993 11.449 -6.295 1.00 53.11 C ATOM 1068 CG2 ILE A 68 10.194 12.439 -4.264 1.00 4.42 C ATOM 1069 CD1 ILE A 68 10.247 11.003 -7.029 1.00 11.40 C ATOM 0 H ILE A 68 7.316 13.429 -6.876 1.00 41.54 H new ATOM 0 HA ILE A 68 7.338 12.411 -4.244 1.00 10.44 H new ATOM 0 HB ILE A 68 9.585 13.518 -6.007 1.00 72.03 H new ATOM 0 HG12 ILE A 68 8.641 10.626 -5.673 1.00 53.11 H new ATOM 0 HG13 ILE A 68 8.212 11.652 -7.028 1.00 53.11 H new ATOM 0 HG21 ILE A 68 11.136 12.101 -4.695 1.00 4.42 H new ATOM 0 HG22 ILE A 68 10.362 13.355 -3.697 1.00 4.42 H new ATOM 0 HG23 ILE A 68 9.802 11.669 -3.600 1.00 4.42 H new ATOM 0 HD11 ILE A 68 10.024 10.119 -7.627 1.00 11.40 H new ATOM 0 HD12 ILE A 68 10.591 11.805 -7.682 1.00 11.40 H new ATOM 0 HD13 ILE A 68 11.026 10.764 -6.306 1.00 11.40 H new ATOM 1081 N SER A 69 8.171 15.609 -4.591 1.00 33.13 N ATOM 1082 CA SER A 69 8.371 16.901 -3.923 1.00 34.11 C ATOM 1083 C SER A 69 7.070 17.377 -3.244 1.00 74.10 C ATOM 1084 O SER A 69 7.116 17.956 -2.158 1.00 40.54 O ATOM 1085 CB SER A 69 8.872 17.947 -4.949 1.00 12.12 C ATOM 1086 OG SER A 69 9.152 19.197 -4.337 1.00 32.03 O ATOM 0 H SER A 69 8.192 15.673 -5.609 1.00 33.13 H new ATOM 0 HA SER A 69 9.125 16.781 -3.145 1.00 34.11 H new ATOM 0 HB2 SER A 69 9.771 17.573 -5.439 1.00 12.12 H new ATOM 0 HB3 SER A 69 8.119 18.083 -5.725 1.00 12.12 H new ATOM 0 HG SER A 69 9.467 19.830 -5.015 1.00 32.03 H new ATOM 1092 N GLN A 70 5.915 17.099 -3.893 1.00 12.03 N ATOM 1093 CA GLN A 70 4.582 17.494 -3.394 1.00 14.04 C ATOM 1094 C GLN A 70 4.291 16.777 -2.074 1.00 70.21 C ATOM 1095 O GLN A 70 3.959 17.412 -1.065 1.00 71.13 O ATOM 1096 CB GLN A 70 3.492 17.157 -4.463 1.00 21.45 C ATOM 1097 CG GLN A 70 2.105 17.845 -4.293 1.00 0.43 C ATOM 1098 CD GLN A 70 1.240 17.388 -3.102 1.00 41.22 C ATOM 1099 OE1 GLN A 70 0.491 18.179 -2.533 1.00 40.11 O ATOM 1100 NE2 GLN A 70 1.298 16.111 -2.735 1.00 21.53 N ATOM 0 H GLN A 70 5.884 16.594 -4.778 1.00 12.03 H new ATOM 0 HA GLN A 70 4.565 18.569 -3.215 1.00 14.04 H new ATOM 0 HB2 GLN A 70 3.885 17.423 -5.444 1.00 21.45 H new ATOM 0 HB3 GLN A 70 3.338 16.078 -4.463 1.00 21.45 H new ATOM 0 HG2 GLN A 70 2.268 18.919 -4.201 1.00 0.43 H new ATOM 0 HG3 GLN A 70 1.534 17.687 -5.208 1.00 0.43 H new ATOM 0 HE21 GLN A 70 1.926 15.469 -3.219 1.00 21.53 H new ATOM 0 HE22 GLN A 70 0.715 15.773 -1.969 1.00 21.53 H new ATOM 1109 N ILE A 71 4.421 15.438 -2.105 1.00 62.53 N ATOM 1110 CA ILE A 71 4.080 14.582 -0.968 1.00 15.51 C ATOM 1111 C ILE A 71 5.056 14.802 0.211 1.00 24.02 C ATOM 1112 O ILE A 71 4.664 14.685 1.366 1.00 71.02 O ATOM 1113 CB ILE A 71 4.021 13.066 -1.381 1.00 2.01 C ATOM 1114 CG1 ILE A 71 3.387 12.216 -0.238 1.00 61.43 C ATOM 1115 CG2 ILE A 71 5.411 12.526 -1.794 1.00 55.43 C ATOM 1116 CD1 ILE A 71 3.371 10.728 -0.484 1.00 60.43 C ATOM 0 H ILE A 71 4.764 14.927 -2.918 1.00 62.53 H new ATOM 0 HA ILE A 71 3.083 14.868 -0.634 1.00 15.51 H new ATOM 0 HB ILE A 71 3.383 12.982 -2.260 1.00 2.01 H new ATOM 0 HG12 ILE A 71 3.933 12.411 0.685 1.00 61.43 H new ATOM 0 HG13 ILE A 71 2.363 12.554 -0.080 1.00 61.43 H new ATOM 0 HG21 ILE A 71 5.325 11.475 -2.072 1.00 55.43 H new ATOM 0 HG22 ILE A 71 5.785 13.097 -2.644 1.00 55.43 H new ATOM 0 HG23 ILE A 71 6.103 12.625 -0.958 1.00 55.43 H new ATOM 0 HD11 ILE A 71 2.911 10.224 0.366 1.00 60.43 H new ATOM 0 HD12 ILE A 71 2.798 10.515 -1.386 1.00 60.43 H new ATOM 0 HD13 ILE A 71 4.392 10.369 -0.610 1.00 60.43 H new ATOM 1128 N ASP A 72 6.314 15.174 -0.110 1.00 13.33 N ATOM 1129 CA ASP A 72 7.351 15.479 0.892 1.00 13.55 C ATOM 1130 C ASP A 72 6.929 16.645 1.812 1.00 32.03 C ATOM 1131 O ASP A 72 7.312 16.692 2.987 1.00 43.11 O ATOM 1132 CB ASP A 72 8.697 15.795 0.176 1.00 11.12 C ATOM 1133 CG ASP A 72 9.843 16.258 1.110 1.00 22.35 C ATOM 1134 OD1 ASP A 72 10.054 15.636 2.162 1.00 15.34 O ATOM 1135 OD2 ASP A 72 10.549 17.243 0.787 1.00 34.44 O ATOM 0 H ASP A 72 6.637 15.271 -1.073 1.00 13.33 H new ATOM 0 HA ASP A 72 7.482 14.603 1.527 1.00 13.55 H new ATOM 0 HB2 ASP A 72 9.023 14.904 -0.361 1.00 11.12 H new ATOM 0 HB3 ASP A 72 8.521 16.570 -0.570 1.00 11.12 H new ATOM 1140 N LYS A 73 6.124 17.582 1.266 1.00 14.44 N ATOM 1141 CA LYS A 73 5.662 18.769 2.007 1.00 4.11 C ATOM 1142 C LYS A 73 4.599 18.406 3.078 1.00 60.32 C ATOM 1143 O LYS A 73 4.325 19.205 3.979 1.00 61.42 O ATOM 1144 CB LYS A 73 5.090 19.838 1.032 1.00 55.55 C ATOM 1145 CG LYS A 73 6.002 20.293 -0.145 1.00 25.20 C ATOM 1146 CD LYS A 73 7.426 20.792 0.268 1.00 74.41 C ATOM 1147 CE LYS A 73 8.490 19.689 0.197 1.00 74.20 C ATOM 1148 NZ LYS A 73 9.839 20.146 0.600 1.00 24.45 N ATOM 0 H LYS A 73 5.780 17.535 0.307 1.00 14.44 H new ATOM 0 HA LYS A 73 6.529 19.182 2.523 1.00 4.11 H new ATOM 0 HB2 LYS A 73 4.164 19.448 0.610 1.00 55.55 H new ATOM 0 HB3 LYS A 73 4.827 20.720 1.616 1.00 55.55 H new ATOM 0 HG2 LYS A 73 6.114 19.460 -0.839 1.00 25.20 H new ATOM 0 HG3 LYS A 73 5.497 21.093 -0.686 1.00 25.20 H new ATOM 0 HD2 LYS A 73 7.720 21.615 -0.383 1.00 74.41 H new ATOM 0 HD3 LYS A 73 7.387 21.187 1.283 1.00 74.41 H new ATOM 0 HE2 LYS A 73 8.188 18.861 0.839 1.00 74.20 H new ATOM 0 HE3 LYS A 73 8.535 19.303 -0.821 1.00 74.20 H new ATOM 0 HZ1 LYS A 73 10.447 19.321 0.775 1.00 24.45 H new ATOM 0 HZ2 LYS A 73 10.251 20.724 -0.160 1.00 24.45 H new ATOM 0 HZ3 LYS A 73 9.768 20.714 1.468 1.00 24.45 H new ATOM 1162 N LEU A 74 4.011 17.196 2.968 1.00 54.12 N ATOM 1163 CA LEU A 74 2.999 16.685 3.922 1.00 63.20 C ATOM 1164 C LEU A 74 3.662 16.319 5.262 1.00 51.54 C ATOM 1165 O LEU A 74 4.791 15.819 5.297 1.00 45.14 O ATOM 1166 CB LEU A 74 2.235 15.459 3.321 1.00 40.12 C ATOM 1167 CG LEU A 74 1.064 15.774 2.331 1.00 21.34 C ATOM 1168 CD1 LEU A 74 -0.083 16.525 3.043 1.00 61.54 C ATOM 1169 CD2 LEU A 74 1.552 16.546 1.084 1.00 74.12 C ATOM 0 H LEU A 74 4.224 16.543 2.214 1.00 54.12 H new ATOM 0 HA LEU A 74 2.270 17.474 4.106 1.00 63.20 H new ATOM 0 HB2 LEU A 74 2.958 14.829 2.803 1.00 40.12 H new ATOM 0 HB3 LEU A 74 1.833 14.871 4.146 1.00 40.12 H new ATOM 0 HG LEU A 74 0.673 14.818 1.982 1.00 21.34 H new ATOM 0 HD11 LEU A 74 -0.882 16.730 2.330 1.00 61.54 H new ATOM 0 HD12 LEU A 74 -0.471 15.911 3.856 1.00 61.54 H new ATOM 0 HD13 LEU A 74 0.293 17.465 3.447 1.00 61.54 H new ATOM 0 HD21 LEU A 74 0.707 16.743 0.424 1.00 74.12 H new ATOM 0 HD22 LEU A 74 2.000 17.491 1.393 1.00 74.12 H new ATOM 0 HD23 LEU A 74 2.294 15.949 0.554 1.00 74.12 H new ATOM 1181 N GLU A 75 2.918 16.555 6.354 1.00 40.52 N ATOM 1182 CA GLU A 75 3.423 16.449 7.739 1.00 62.25 C ATOM 1183 C GLU A 75 3.601 14.989 8.190 1.00 3.42 C ATOM 1184 O GLU A 75 4.388 14.709 9.099 1.00 71.12 O ATOM 1185 CB GLU A 75 2.459 17.204 8.683 1.00 1.11 C ATOM 1186 CG GLU A 75 2.279 18.695 8.315 1.00 31.53 C ATOM 1187 CD GLU A 75 1.295 19.436 9.232 1.00 52.21 C ATOM 1188 OE1 GLU A 75 0.076 19.385 8.971 1.00 33.10 O ATOM 1189 OE2 GLU A 75 1.728 20.063 10.222 1.00 33.24 O ATOM 0 H GLU A 75 1.937 16.828 6.303 1.00 40.52 H new ATOM 0 HA GLU A 75 4.413 16.903 7.778 1.00 62.25 H new ATOM 0 HB2 GLU A 75 1.486 16.713 8.664 1.00 1.11 H new ATOM 0 HB3 GLU A 75 2.833 17.132 9.704 1.00 1.11 H new ATOM 0 HG2 GLU A 75 3.248 19.192 8.358 1.00 31.53 H new ATOM 0 HG3 GLU A 75 1.929 18.768 7.285 1.00 31.53 H new ATOM 1196 N ASP A 76 2.855 14.072 7.560 1.00 50.30 N ATOM 1197 CA ASP A 76 2.989 12.626 7.814 1.00 61.31 C ATOM 1198 C ASP A 76 4.334 12.105 7.322 1.00 74.34 C ATOM 1199 O ASP A 76 4.968 11.318 8.026 1.00 63.34 O ATOM 1200 CB ASP A 76 1.832 11.832 7.173 1.00 41.05 C ATOM 1201 CG ASP A 76 1.593 12.159 5.683 1.00 51.22 C ATOM 1202 OD1 ASP A 76 1.029 13.232 5.405 1.00 1.22 O ATOM 1203 OD2 ASP A 76 1.945 11.354 4.796 1.00 33.05 O ATOM 0 H ASP A 76 2.146 14.306 6.865 1.00 50.30 H new ATOM 0 HA ASP A 76 2.940 12.479 8.893 1.00 61.31 H new ATOM 0 HB2 ASP A 76 2.039 10.766 7.271 1.00 41.05 H new ATOM 0 HB3 ASP A 76 0.916 12.032 7.729 1.00 41.05 H new ATOM 1208 N VAL A 77 4.754 12.555 6.119 1.00 35.32 N ATOM 1209 CA VAL A 77 6.041 12.182 5.525 1.00 41.02 C ATOM 1210 C VAL A 77 7.202 12.655 6.425 1.00 42.04 C ATOM 1211 O VAL A 77 7.606 13.821 6.395 1.00 45.14 O ATOM 1212 CB VAL A 77 6.169 12.745 4.057 1.00 10.14 C ATOM 1213 CG1 VAL A 77 7.580 12.528 3.463 1.00 2.02 C ATOM 1214 CG2 VAL A 77 5.102 12.102 3.147 1.00 54.24 C ATOM 0 H VAL A 77 4.204 13.188 5.538 1.00 35.32 H new ATOM 0 HA VAL A 77 6.094 11.095 5.457 1.00 41.02 H new ATOM 0 HB VAL A 77 6.004 13.821 4.108 1.00 10.14 H new ATOM 0 HG11 VAL A 77 7.615 12.933 2.452 1.00 2.02 H new ATOM 0 HG12 VAL A 77 8.318 13.036 4.083 1.00 2.02 H new ATOM 0 HG13 VAL A 77 7.803 11.461 3.435 1.00 2.02 H new ATOM 0 HG21 VAL A 77 5.200 12.498 2.136 1.00 54.24 H new ATOM 0 HG22 VAL A 77 5.243 11.021 3.129 1.00 54.24 H new ATOM 0 HG23 VAL A 77 4.109 12.332 3.532 1.00 54.24 H new ATOM 1224 N VAL A 78 7.644 11.731 7.296 1.00 34.53 N ATOM 1225 CA VAL A 78 8.797 11.920 8.190 1.00 54.32 C ATOM 1226 C VAL A 78 10.095 11.896 7.360 1.00 1.23 C ATOM 1227 O VAL A 78 11.045 12.636 7.654 1.00 44.04 O ATOM 1228 CB VAL A 78 8.862 10.806 9.318 1.00 15.34 C ATOM 1229 CG1 VAL A 78 9.883 11.170 10.422 1.00 74.00 C ATOM 1230 CG2 VAL A 78 7.472 10.520 9.930 1.00 14.53 C ATOM 0 H VAL A 78 7.202 10.818 7.399 1.00 34.53 H new ATOM 0 HA VAL A 78 8.684 12.884 8.686 1.00 54.32 H new ATOM 0 HB VAL A 78 9.203 9.891 8.833 1.00 15.34 H new ATOM 0 HG11 VAL A 78 9.899 10.383 11.176 1.00 74.00 H new ATOM 0 HG12 VAL A 78 10.875 11.271 9.981 1.00 74.00 H new ATOM 0 HG13 VAL A 78 9.595 12.113 10.887 1.00 74.00 H new ATOM 0 HG21 VAL A 78 7.564 9.751 10.697 1.00 14.53 H new ATOM 0 HG22 VAL A 78 7.076 11.432 10.376 1.00 14.53 H new ATOM 0 HG23 VAL A 78 6.795 10.174 9.149 1.00 14.53 H new ATOM 1240 N LYS A 79 10.110 11.028 6.317 1.00 52.13 N ATOM 1241 CA LYS A 79 11.233 10.882 5.368 1.00 14.11 C ATOM 1242 C LYS A 79 10.705 10.568 3.959 1.00 24.15 C ATOM 1243 O LYS A 79 9.701 9.866 3.807 1.00 11.03 O ATOM 1244 CB LYS A 79 12.221 9.752 5.798 1.00 4.21 C ATOM 1245 CG LYS A 79 13.110 10.091 7.010 1.00 20.01 C ATOM 1246 CD LYS A 79 14.192 9.015 7.279 1.00 31.22 C ATOM 1247 CE LYS A 79 15.094 9.372 8.472 1.00 60.34 C ATOM 1248 NZ LYS A 79 16.112 8.326 8.750 1.00 23.02 N ATOM 0 H LYS A 79 9.330 10.403 6.112 1.00 52.13 H new ATOM 0 HA LYS A 79 11.771 11.830 5.367 1.00 14.11 H new ATOM 0 HB2 LYS A 79 11.646 8.855 6.028 1.00 4.21 H new ATOM 0 HB3 LYS A 79 12.864 9.510 4.951 1.00 4.21 H new ATOM 0 HG2 LYS A 79 13.594 11.053 6.842 1.00 20.01 H new ATOM 0 HG3 LYS A 79 12.484 10.200 7.895 1.00 20.01 H new ATOM 0 HD2 LYS A 79 13.708 8.057 7.468 1.00 31.22 H new ATOM 0 HD3 LYS A 79 14.807 8.891 6.387 1.00 31.22 H new ATOM 0 HE2 LYS A 79 15.596 10.319 8.273 1.00 60.34 H new ATOM 0 HE3 LYS A 79 14.477 9.518 9.359 1.00 60.34 H new ATOM 0 HZ1 LYS A 79 16.694 8.615 9.562 1.00 23.02 H new ATOM 0 HZ2 LYS A 79 15.636 7.427 8.967 1.00 23.02 H new ATOM 0 HZ3 LYS A 79 16.720 8.203 7.915 1.00 23.02 H new ATOM 1262 N VAL A 80 11.414 11.086 2.944 1.00 52.32 N ATOM 1263 CA VAL A 80 11.224 10.722 1.529 1.00 33.23 C ATOM 1264 C VAL A 80 12.591 10.292 0.970 1.00 55.31 C ATOM 1265 O VAL A 80 13.596 10.999 1.161 1.00 23.30 O ATOM 1266 CB VAL A 80 10.632 11.911 0.670 1.00 50.02 C ATOM 1267 CG1 VAL A 80 11.527 13.165 0.694 1.00 64.41 C ATOM 1268 CG2 VAL A 80 10.360 11.469 -0.787 1.00 20.00 C ATOM 0 H VAL A 80 12.147 11.781 3.084 1.00 52.32 H new ATOM 0 HA VAL A 80 10.498 9.911 1.468 1.00 33.23 H new ATOM 0 HB VAL A 80 9.685 12.183 1.136 1.00 50.02 H new ATOM 0 HG11 VAL A 80 11.072 13.948 0.088 1.00 64.41 H new ATOM 0 HG12 VAL A 80 11.634 13.516 1.720 1.00 64.41 H new ATOM 0 HG13 VAL A 80 12.509 12.919 0.290 1.00 64.41 H new ATOM 0 HG21 VAL A 80 9.954 12.308 -1.352 1.00 20.00 H new ATOM 0 HG22 VAL A 80 11.291 11.139 -1.247 1.00 20.00 H new ATOM 0 HG23 VAL A 80 9.643 10.648 -0.790 1.00 20.00 H new ATOM 1278 N GLN A 81 12.657 9.123 0.322 1.00 12.22 N ATOM 1279 CA GLN A 81 13.920 8.620 -0.278 1.00 42.43 C ATOM 1280 C GLN A 81 13.644 7.996 -1.646 1.00 50.42 C ATOM 1281 O GLN A 81 12.642 7.299 -1.835 1.00 51.10 O ATOM 1282 CB GLN A 81 14.638 7.605 0.658 1.00 75.01 C ATOM 1283 CG GLN A 81 15.099 8.197 2.007 1.00 55.33 C ATOM 1284 CD GLN A 81 15.792 7.205 2.937 1.00 72.15 C ATOM 1285 OE1 GLN A 81 16.479 6.285 2.499 1.00 74.23 O ATOM 1286 NE2 GLN A 81 15.615 7.389 4.236 1.00 52.54 N ATOM 0 H GLN A 81 11.858 8.502 0.194 1.00 12.22 H new ATOM 0 HA GLN A 81 14.590 9.470 -0.408 1.00 42.43 H new ATOM 0 HB2 GLN A 81 13.965 6.770 0.853 1.00 75.01 H new ATOM 0 HB3 GLN A 81 15.506 7.200 0.137 1.00 75.01 H new ATOM 0 HG2 GLN A 81 15.779 9.026 1.811 1.00 55.33 H new ATOM 0 HG3 GLN A 81 14.232 8.611 2.521 1.00 55.33 H new ATOM 0 HE21 GLN A 81 15.039 8.162 4.568 1.00 52.54 H new ATOM 0 HE22 GLN A 81 16.055 6.757 4.905 1.00 52.54 H new ATOM 1295 N ARG A 82 14.560 8.260 -2.587 1.00 44.43 N ATOM 1296 CA ARG A 82 14.460 7.824 -3.982 1.00 32.34 C ATOM 1297 C ARG A 82 15.567 6.796 -4.253 1.00 50.12 C ATOM 1298 O ARG A 82 16.738 7.152 -4.411 1.00 13.52 O ATOM 1299 CB ARG A 82 14.589 9.054 -4.912 1.00 54.52 C ATOM 1300 CG ARG A 82 13.474 10.111 -4.723 1.00 24.25 C ATOM 1301 CD ARG A 82 13.773 11.421 -5.461 1.00 72.55 C ATOM 1302 NE ARG A 82 14.020 11.224 -6.899 1.00 55.42 N ATOM 1303 CZ ARG A 82 14.265 12.203 -7.779 1.00 3.31 C ATOM 1304 NH1 ARG A 82 14.290 13.482 -7.399 1.00 40.41 N ATOM 1305 NH2 ARG A 82 14.509 11.893 -9.043 1.00 14.20 N ATOM 0 H ARG A 82 15.408 8.794 -2.394 1.00 44.43 H new ATOM 0 HA ARG A 82 13.495 7.356 -4.175 1.00 32.34 H new ATOM 0 HB2 ARG A 82 15.556 9.527 -4.739 1.00 54.52 H new ATOM 0 HB3 ARG A 82 14.581 8.715 -5.948 1.00 54.52 H new ATOM 0 HG2 ARG A 82 12.528 9.704 -5.081 1.00 24.25 H new ATOM 0 HG3 ARG A 82 13.350 10.317 -3.660 1.00 24.25 H new ATOM 0 HD2 ARG A 82 12.934 12.105 -5.332 1.00 72.55 H new ATOM 0 HD3 ARG A 82 14.644 11.896 -5.009 1.00 72.55 H new ATOM 0 HE ARG A 82 14.003 10.267 -7.252 1.00 55.42 H new ATOM 0 HH11 ARG A 82 14.121 13.728 -6.424 1.00 40.41 H new ATOM 0 HH12 ARG A 82 14.478 14.214 -8.084 1.00 40.41 H new ATOM 0 HH21 ARG A 82 14.509 10.917 -9.338 1.00 14.20 H new ATOM 0 HH22 ARG A 82 14.697 12.631 -9.722 1.00 14.20 H new ATOM 1319 N ASN A 83 15.186 5.522 -4.253 1.00 65.22 N ATOM 1320 CA ASN A 83 16.107 4.374 -4.408 1.00 54.21 C ATOM 1321 C ASN A 83 15.802 3.626 -5.709 1.00 1.31 C ATOM 1322 O ASN A 83 14.708 3.752 -6.262 1.00 41.25 O ATOM 1323 CB ASN A 83 16.012 3.423 -3.180 1.00 72.31 C ATOM 1324 CG ASN A 83 16.499 4.065 -1.877 1.00 33.31 C ATOM 1325 OD1 ASN A 83 17.358 4.951 -1.882 1.00 34.04 O ATOM 1326 ND2 ASN A 83 15.980 3.614 -0.759 1.00 34.40 N ATOM 0 H ASN A 83 14.212 5.241 -4.144 1.00 65.22 H new ATOM 0 HA ASN A 83 17.129 4.749 -4.459 1.00 54.21 H new ATOM 0 HB2 ASN A 83 14.977 3.104 -3.055 1.00 72.31 H new ATOM 0 HB3 ASN A 83 16.600 2.527 -3.377 1.00 72.31 H new ATOM 0 HD21 ASN A 83 16.285 3.997 0.136 1.00 34.40 H new ATOM 0 HD22 ASN A 83 15.271 2.881 -0.785 1.00 34.40 H new ATOM 1333 N GLN A 84 16.802 2.899 -6.222 1.00 24.41 N ATOM 1334 CA GLN A 84 16.671 2.081 -7.444 1.00 52.44 C ATOM 1335 C GLN A 84 16.131 0.693 -7.077 1.00 12.23 C ATOM 1336 O GLN A 84 16.492 0.133 -6.035 1.00 43.45 O ATOM 1337 CB GLN A 84 18.048 1.956 -8.144 1.00 63.41 C ATOM 1338 CG GLN A 84 18.645 3.313 -8.553 1.00 62.42 C ATOM 1339 CD GLN A 84 20.027 3.224 -9.205 1.00 33.21 C ATOM 1340 OE1 GLN A 84 20.815 2.327 -8.911 1.00 0.52 O ATOM 1341 NE2 GLN A 84 20.344 4.173 -10.075 1.00 14.11 N ATOM 0 H GLN A 84 17.731 2.858 -5.803 1.00 24.41 H new ATOM 0 HA GLN A 84 15.974 2.562 -8.130 1.00 52.44 H new ATOM 0 HB2 GLN A 84 18.743 1.447 -7.476 1.00 63.41 H new ATOM 0 HB3 GLN A 84 17.942 1.331 -9.031 1.00 63.41 H new ATOM 0 HG2 GLN A 84 17.961 3.804 -9.245 1.00 62.42 H new ATOM 0 HG3 GLN A 84 18.714 3.947 -7.669 1.00 62.42 H new ATOM 0 HE21 GLN A 84 19.670 4.905 -10.300 1.00 14.11 H new ATOM 0 HE22 GLN A 84 21.262 4.171 -10.520 1.00 14.11 H new ATOM 1350 N SER A 85 15.260 0.153 -7.939 1.00 71.14 N ATOM 1351 CA SER A 85 14.539 -1.103 -7.675 1.00 64.54 C ATOM 1352 C SER A 85 15.361 -2.337 -8.047 1.00 61.30 C ATOM 1353 O SER A 85 16.146 -2.317 -9.006 1.00 4.55 O ATOM 1354 CB SER A 85 13.181 -1.092 -8.397 1.00 43.05 C ATOM 1355 OG SER A 85 12.438 -2.279 -8.168 1.00 70.44 O ATOM 0 H SER A 85 15.034 0.573 -8.840 1.00 71.14 H new ATOM 0 HA SER A 85 14.365 -1.167 -6.601 1.00 64.54 H new ATOM 0 HB2 SER A 85 12.601 -0.233 -8.061 1.00 43.05 H new ATOM 0 HB3 SER A 85 13.343 -0.968 -9.468 1.00 43.05 H new ATOM 0 HG SER A 85 11.492 -2.054 -8.043 1.00 70.44 H new ATOM 1361 N ASP A 86 15.138 -3.414 -7.273 1.00 74.15 N ATOM 1362 CA ASP A 86 15.849 -4.690 -7.410 1.00 63.34 C ATOM 1363 C ASP A 86 14.846 -5.841 -7.176 1.00 55.24 C ATOM 1364 O ASP A 86 13.975 -5.708 -6.314 1.00 14.44 O ATOM 1365 CB ASP A 86 17.019 -4.748 -6.381 1.00 40.35 C ATOM 1366 CG ASP A 86 18.017 -5.906 -6.633 1.00 44.34 C ATOM 1367 OD1 ASP A 86 17.733 -7.058 -6.247 1.00 3.35 O ATOM 1368 OD2 ASP A 86 19.089 -5.667 -7.233 1.00 44.10 O ATOM 0 H ASP A 86 14.446 -3.418 -6.523 1.00 74.15 H new ATOM 0 HA ASP A 86 16.273 -4.786 -8.410 1.00 63.34 H new ATOM 0 HB2 ASP A 86 17.560 -3.802 -6.407 1.00 40.35 H new ATOM 0 HB3 ASP A 86 16.604 -4.850 -5.378 1.00 40.35 H new ATOM 1373 N PRO A 87 14.923 -6.967 -7.956 1.00 5.11 N ATOM 1374 CA PRO A 87 14.037 -8.158 -7.775 1.00 32.51 C ATOM 1375 C PRO A 87 13.903 -8.670 -6.316 1.00 43.22 C ATOM 1376 O PRO A 87 12.825 -9.127 -5.911 1.00 4.31 O ATOM 1377 CB PRO A 87 14.704 -9.223 -8.673 1.00 51.20 C ATOM 1378 CG PRO A 87 15.328 -8.429 -9.783 1.00 42.53 C ATOM 1379 CD PRO A 87 15.828 -7.154 -9.134 1.00 4.05 C ATOM 0 HA PRO A 87 13.007 -7.913 -8.036 1.00 32.51 H new ATOM 0 HB2 PRO A 87 15.451 -9.796 -8.124 1.00 51.20 H new ATOM 0 HB3 PRO A 87 13.974 -9.936 -9.055 1.00 51.20 H new ATOM 0 HG2 PRO A 87 16.145 -8.980 -10.248 1.00 42.53 H new ATOM 0 HG3 PRO A 87 14.602 -8.212 -10.567 1.00 42.53 H new ATOM 0 HD2 PRO A 87 16.870 -7.245 -8.826 1.00 4.05 H new ATOM 0 HD3 PRO A 87 15.771 -6.308 -9.819 1.00 4.05 H new ATOM 1387 N THR A 88 14.993 -8.584 -5.534 1.00 32.22 N ATOM 1388 CA THR A 88 15.036 -9.124 -4.155 1.00 31.02 C ATOM 1389 C THR A 88 14.462 -8.145 -3.107 1.00 22.22 C ATOM 1390 O THR A 88 14.398 -8.508 -1.930 1.00 41.40 O ATOM 1391 CB THR A 88 16.493 -9.529 -3.742 1.00 75.14 C ATOM 1392 OG1 THR A 88 17.324 -8.359 -3.632 1.00 51.03 O ATOM 1393 CG2 THR A 88 17.123 -10.515 -4.747 1.00 4.34 C ATOM 0 H THR A 88 15.863 -8.144 -5.832 1.00 32.22 H new ATOM 0 HA THR A 88 14.402 -10.011 -4.168 1.00 31.02 H new ATOM 0 HB THR A 88 16.428 -10.027 -2.775 1.00 75.14 H new ATOM 0 HG1 THR A 88 17.426 -7.946 -4.515 1.00 51.03 H new ATOM 0 HG21 THR A 88 18.132 -10.770 -4.423 1.00 4.34 H new ATOM 0 HG22 THR A 88 16.518 -11.421 -4.796 1.00 4.34 H new ATOM 0 HG23 THR A 88 17.164 -10.053 -5.733 1.00 4.34 H new ATOM 1401 N MET A 89 14.036 -6.932 -3.553 1.00 60.04 N ATOM 1402 CA MET A 89 13.607 -5.826 -2.663 1.00 52.54 C ATOM 1403 C MET A 89 12.567 -6.272 -1.611 1.00 4.33 C ATOM 1404 O MET A 89 12.912 -6.316 -0.425 1.00 50.45 O ATOM 1405 CB MET A 89 13.034 -4.646 -3.494 1.00 20.12 C ATOM 1406 CG MET A 89 12.604 -3.401 -2.678 1.00 2.34 C ATOM 1407 SD MET A 89 13.983 -2.323 -2.190 1.00 14.33 S ATOM 1408 CE MET A 89 14.624 -3.099 -0.704 1.00 64.11 C ATOM 0 H MET A 89 13.982 -6.697 -4.544 1.00 60.04 H new ATOM 0 HA MET A 89 14.498 -5.501 -2.125 1.00 52.54 H new ATOM 0 HB2 MET A 89 13.785 -4.340 -4.223 1.00 20.12 H new ATOM 0 HB3 MET A 89 12.172 -5.005 -4.056 1.00 20.12 H new ATOM 0 HG2 MET A 89 11.894 -2.821 -3.267 1.00 2.34 H new ATOM 0 HG3 MET A 89 12.079 -3.731 -1.781 1.00 2.34 H new ATOM 0 HE1 MET A 89 14.754 -2.346 0.073 1.00 64.11 H new ATOM 0 HE2 MET A 89 13.923 -3.859 -0.359 1.00 64.11 H new ATOM 0 HE3 MET A 89 15.585 -3.564 -0.922 1.00 64.11 H new ATOM 1418 N PHE A 90 11.331 -6.652 -2.071 1.00 11.44 N ATOM 1419 CA PHE A 90 10.202 -7.047 -1.182 1.00 52.10 C ATOM 1420 C PHE A 90 10.628 -8.085 -0.127 1.00 4.34 C ATOM 1421 O PHE A 90 10.338 -7.928 1.069 1.00 70.41 O ATOM 1422 CB PHE A 90 9.010 -7.624 -2.000 1.00 11.33 C ATOM 1423 CG PHE A 90 8.211 -6.595 -2.799 1.00 4.53 C ATOM 1424 CD1 PHE A 90 7.450 -5.624 -2.145 1.00 31.22 C ATOM 1425 CD2 PHE A 90 8.187 -6.619 -4.198 1.00 41.43 C ATOM 1426 CE1 PHE A 90 6.696 -4.713 -2.857 1.00 31.13 C ATOM 1427 CE2 PHE A 90 7.432 -5.703 -4.905 1.00 42.32 C ATOM 1428 CZ PHE A 90 6.689 -4.753 -4.233 1.00 55.15 C ATOM 0 H PHE A 90 11.098 -6.691 -3.063 1.00 11.44 H new ATOM 0 HA PHE A 90 9.889 -6.136 -0.672 1.00 52.10 H new ATOM 0 HB2 PHE A 90 9.393 -8.377 -2.689 1.00 11.33 H new ATOM 0 HB3 PHE A 90 8.333 -8.134 -1.315 1.00 11.33 H new ATOM 0 HD1 PHE A 90 7.451 -5.585 -1.066 1.00 31.22 H new ATOM 0 HD2 PHE A 90 8.764 -7.361 -4.730 1.00 41.43 H new ATOM 0 HE1 PHE A 90 6.112 -3.969 -2.335 1.00 31.13 H new ATOM 0 HE2 PHE A 90 7.423 -5.730 -5.985 1.00 42.32 H new ATOM 0 HZ PHE A 90 6.100 -4.039 -4.789 1.00 55.15 H new ATOM 1438 N ASN A 91 11.380 -9.098 -0.600 1.00 24.22 N ATOM 1439 CA ASN A 91 11.857 -10.211 0.222 1.00 44.50 C ATOM 1440 C ASN A 91 12.825 -9.701 1.305 1.00 60.44 C ATOM 1441 O ASN A 91 12.678 -10.037 2.475 1.00 21.33 O ATOM 1442 CB ASN A 91 12.550 -11.262 -0.680 1.00 61.23 C ATOM 1443 CG ASN A 91 12.971 -12.531 0.069 1.00 3.54 C ATOM 1444 OD1 ASN A 91 14.064 -12.614 0.627 1.00 54.33 O ATOM 1445 ND2 ASN A 91 12.110 -13.528 0.085 1.00 22.41 N ATOM 0 H ASN A 91 11.673 -9.161 -1.575 1.00 24.22 H new ATOM 0 HA ASN A 91 11.008 -10.678 0.721 1.00 44.50 H new ATOM 0 HB2 ASN A 91 11.874 -11.536 -1.490 1.00 61.23 H new ATOM 0 HB3 ASN A 91 13.431 -10.811 -1.138 1.00 61.23 H new ATOM 0 HD21 ASN A 91 12.343 -14.395 0.568 1.00 22.41 H new ATOM 0 HD22 ASN A 91 11.210 -13.432 -0.386 1.00 22.41 H new ATOM 1452 N LYS A 92 13.765 -8.836 0.877 1.00 54.11 N ATOM 1453 CA LYS A 92 14.834 -8.286 1.728 1.00 23.14 C ATOM 1454 C LYS A 92 14.298 -7.605 3.009 1.00 54.25 C ATOM 1455 O LYS A 92 14.639 -8.032 4.122 1.00 43.34 O ATOM 1456 CB LYS A 92 15.706 -7.301 0.905 1.00 72.52 C ATOM 1457 CG LYS A 92 16.842 -6.647 1.709 1.00 21.20 C ATOM 1458 CD LYS A 92 17.720 -5.704 0.868 1.00 33.44 C ATOM 1459 CE LYS A 92 18.781 -4.993 1.720 1.00 41.31 C ATOM 1460 NZ LYS A 92 19.659 -5.946 2.461 1.00 15.13 N ATOM 0 H LYS A 92 13.802 -8.496 -0.084 1.00 54.11 H new ATOM 0 HA LYS A 92 15.444 -9.125 2.063 1.00 23.14 H new ATOM 0 HB2 LYS A 92 16.136 -7.834 0.057 1.00 72.52 H new ATOM 0 HB3 LYS A 92 15.066 -6.518 0.498 1.00 72.52 H new ATOM 0 HG2 LYS A 92 16.413 -6.088 2.541 1.00 21.20 H new ATOM 0 HG3 LYS A 92 17.469 -7.428 2.140 1.00 21.20 H new ATOM 0 HD2 LYS A 92 18.211 -6.273 0.079 1.00 33.44 H new ATOM 0 HD3 LYS A 92 17.089 -4.961 0.380 1.00 33.44 H new ATOM 0 HE2 LYS A 92 19.396 -4.364 1.076 1.00 41.31 H new ATOM 0 HE3 LYS A 92 18.286 -4.333 2.432 1.00 41.31 H new ATOM 0 HZ1 LYS A 92 20.428 -5.421 2.924 1.00 15.13 H new ATOM 0 HZ2 LYS A 92 19.099 -6.446 3.181 1.00 15.13 H new ATOM 0 HZ3 LYS A 92 20.062 -6.636 1.795 1.00 15.13 H new ATOM 1474 N ILE A 93 13.445 -6.570 2.857 1.00 13.12 N ATOM 1475 CA ILE A 93 12.953 -5.796 4.017 1.00 23.11 C ATOM 1476 C ILE A 93 11.904 -6.579 4.820 1.00 71.13 C ATOM 1477 O ILE A 93 11.680 -6.277 5.990 1.00 65.41 O ATOM 1478 CB ILE A 93 12.428 -4.355 3.673 1.00 62.32 C ATOM 1479 CG1 ILE A 93 11.123 -4.359 2.804 1.00 23.24 C ATOM 1480 CG2 ILE A 93 13.548 -3.520 2.998 1.00 42.12 C ATOM 1481 CD1 ILE A 93 11.308 -4.432 1.308 1.00 61.34 C ATOM 0 H ILE A 93 13.087 -6.254 1.956 1.00 13.12 H new ATOM 0 HA ILE A 93 13.837 -5.646 4.637 1.00 23.11 H new ATOM 0 HB ILE A 93 12.154 -3.887 4.619 1.00 62.32 H new ATOM 0 HG12 ILE A 93 10.510 -5.206 3.113 1.00 23.24 H new ATOM 0 HG13 ILE A 93 10.558 -3.456 3.034 1.00 23.24 H new ATOM 0 HG21 ILE A 93 13.170 -2.525 2.766 1.00 42.12 H new ATOM 0 HG22 ILE A 93 14.398 -3.436 3.675 1.00 42.12 H new ATOM 0 HG23 ILE A 93 13.864 -4.012 2.078 1.00 42.12 H new ATOM 0 HD11 ILE A 93 10.333 -4.428 0.820 1.00 61.34 H new ATOM 0 HD12 ILE A 93 11.886 -3.572 0.971 1.00 61.34 H new ATOM 0 HD13 ILE A 93 11.838 -5.349 1.051 1.00 61.34 H new ATOM 1493 N ALA A 94 11.225 -7.540 4.167 1.00 44.11 N ATOM 1494 CA ALA A 94 10.313 -8.479 4.849 1.00 71.41 C ATOM 1495 C ALA A 94 11.077 -9.422 5.806 1.00 72.42 C ATOM 1496 O ALA A 94 10.548 -9.821 6.851 1.00 43.04 O ATOM 1497 CB ALA A 94 9.536 -9.283 3.813 1.00 5.25 C ATOM 0 H ALA A 94 11.291 -7.688 3.160 1.00 44.11 H new ATOM 0 HA ALA A 94 9.616 -7.899 5.454 1.00 71.41 H new ATOM 0 HB1 ALA A 94 8.864 -9.975 4.319 1.00 5.25 H new ATOM 0 HB2 ALA A 94 8.955 -8.605 3.187 1.00 5.25 H new ATOM 0 HB3 ALA A 94 10.233 -9.844 3.190 1.00 5.25 H new ATOM 1503 N VAL A 95 12.314 -9.789 5.420 1.00 42.14 N ATOM 1504 CA VAL A 95 13.223 -10.600 6.264 1.00 3.14 C ATOM 1505 C VAL A 95 13.893 -9.714 7.337 1.00 61.31 C ATOM 1506 O VAL A 95 14.234 -10.185 8.428 1.00 74.51 O ATOM 1507 CB VAL A 95 14.308 -11.342 5.382 1.00 43.10 C ATOM 1508 CG1 VAL A 95 15.345 -12.118 6.230 1.00 34.45 C ATOM 1509 CG2 VAL A 95 13.628 -12.298 4.374 1.00 13.44 C ATOM 0 H VAL A 95 12.714 -9.534 4.517 1.00 42.14 H new ATOM 0 HA VAL A 95 12.631 -11.363 6.769 1.00 3.14 H new ATOM 0 HB VAL A 95 14.851 -10.566 4.842 1.00 43.10 H new ATOM 0 HG11 VAL A 95 16.063 -12.606 5.570 1.00 34.45 H new ATOM 0 HG12 VAL A 95 15.869 -11.425 6.887 1.00 34.45 H new ATOM 0 HG13 VAL A 95 14.834 -12.871 6.830 1.00 34.45 H new ATOM 0 HG21 VAL A 95 14.390 -12.799 3.777 1.00 13.44 H new ATOM 0 HG22 VAL A 95 13.044 -13.042 4.915 1.00 13.44 H new ATOM 0 HG23 VAL A 95 12.970 -11.727 3.718 1.00 13.44 H new ATOM 1519 N PHE A 96 14.048 -8.425 7.031 1.00 11.15 N ATOM 1520 CA PHE A 96 14.685 -7.458 7.936 1.00 14.10 C ATOM 1521 C PHE A 96 13.683 -6.944 8.990 1.00 12.55 C ATOM 1522 O PHE A 96 14.069 -6.694 10.136 1.00 43.33 O ATOM 1523 CB PHE A 96 15.261 -6.287 7.106 1.00 25.02 C ATOM 1524 CG PHE A 96 16.104 -5.281 7.892 1.00 24.03 C ATOM 1525 CD1 PHE A 96 17.063 -5.720 8.810 1.00 4.21 C ATOM 1526 CD2 PHE A 96 15.959 -3.906 7.701 1.00 40.54 C ATOM 1527 CE1 PHE A 96 17.841 -4.822 9.508 1.00 0.52 C ATOM 1528 CE2 PHE A 96 16.743 -3.008 8.406 1.00 65.04 C ATOM 1529 CZ PHE A 96 17.681 -3.467 9.308 1.00 30.44 C ATOM 0 H PHE A 96 13.736 -8.018 6.149 1.00 11.15 H new ATOM 0 HA PHE A 96 15.496 -7.952 8.471 1.00 14.10 H new ATOM 0 HB2 PHE A 96 15.872 -6.699 6.303 1.00 25.02 H new ATOM 0 HB3 PHE A 96 14.434 -5.755 6.637 1.00 25.02 H new ATOM 0 HD1 PHE A 96 17.196 -6.779 8.975 1.00 4.21 H new ATOM 0 HD2 PHE A 96 15.228 -3.539 6.996 1.00 40.54 H new ATOM 0 HE1 PHE A 96 18.577 -5.180 10.213 1.00 0.52 H new ATOM 0 HE2 PHE A 96 16.620 -1.946 8.250 1.00 65.04 H new ATOM 0 HZ PHE A 96 18.290 -2.765 9.858 1.00 30.44 H new ATOM 1539 N PHE A 97 12.397 -6.832 8.563 1.00 1.24 N ATOM 1540 CA PHE A 97 11.257 -6.281 9.346 1.00 73.24 C ATOM 1541 C PHE A 97 11.650 -5.125 10.300 1.00 74.10 C ATOM 1542 O PHE A 97 11.583 -5.252 11.530 1.00 72.55 O ATOM 1543 CB PHE A 97 10.419 -7.413 10.044 1.00 31.31 C ATOM 1544 CG PHE A 97 11.234 -8.532 10.694 1.00 73.42 C ATOM 1545 CD1 PHE A 97 11.898 -8.332 11.902 1.00 22.22 C ATOM 1546 CD2 PHE A 97 11.343 -9.781 10.089 1.00 55.25 C ATOM 1547 CE1 PHE A 97 12.645 -9.337 12.482 1.00 53.44 C ATOM 1548 CE2 PHE A 97 12.092 -10.785 10.672 1.00 10.31 C ATOM 1549 CZ PHE A 97 12.739 -10.563 11.868 1.00 32.10 C ATOM 0 H PHE A 97 12.115 -7.134 7.630 1.00 1.24 H new ATOM 0 HA PHE A 97 10.594 -5.812 8.619 1.00 73.24 H new ATOM 0 HB2 PHE A 97 9.789 -6.956 10.807 1.00 31.31 H new ATOM 0 HB3 PHE A 97 9.753 -7.856 9.304 1.00 31.31 H new ATOM 0 HD1 PHE A 97 11.827 -7.373 12.394 1.00 22.22 H new ATOM 0 HD2 PHE A 97 10.836 -9.967 9.154 1.00 55.25 H new ATOM 0 HE1 PHE A 97 13.155 -9.160 13.417 1.00 53.44 H new ATOM 0 HE2 PHE A 97 12.171 -11.747 10.188 1.00 10.31 H new ATOM 0 HZ PHE A 97 13.320 -11.352 12.323 1.00 32.10 H new ATOM 1559 N GLN A 98 12.111 -4.014 9.696 1.00 20.13 N ATOM 1560 CA GLN A 98 12.467 -2.776 10.422 1.00 52.53 C ATOM 1561 C GLN A 98 11.213 -2.133 11.083 1.00 62.25 C ATOM 1562 O GLN A 98 11.206 -1.957 12.313 1.00 65.43 O ATOM 1563 CB GLN A 98 13.173 -1.769 9.462 1.00 3.12 C ATOM 1564 CG GLN A 98 13.632 -0.441 10.121 1.00 41.33 C ATOM 1565 CD GLN A 98 14.584 -0.636 11.308 1.00 23.05 C ATOM 1566 OE1 GLN A 98 15.805 -0.696 11.142 1.00 43.24 O ATOM 1567 NE2 GLN A 98 14.035 -0.733 12.516 1.00 15.54 N ATOM 1568 OXT GLN A 98 10.238 -1.852 10.366 1.00 37.26 O ATOM 0 H GLN A 98 12.248 -3.947 8.687 1.00 20.13 H new ATOM 0 HA GLN A 98 13.162 -3.035 11.220 1.00 52.53 H new ATOM 0 HB2 GLN A 98 14.043 -2.258 9.023 1.00 3.12 H new ATOM 0 HB3 GLN A 98 12.493 -1.534 8.643 1.00 3.12 H new ATOM 0 HG2 GLN A 98 14.125 0.175 9.369 1.00 41.33 H new ATOM 0 HG3 GLN A 98 12.754 0.109 10.458 1.00 41.33 H new ATOM 0 HE21 GLN A 98 13.022 -0.680 12.622 1.00 15.54 H new ATOM 0 HE22 GLN A 98 14.627 -0.861 13.337 1.00 15.54 H new TER 1577 GLN A 98 ATOM 1578 N GLY B 1 -7.919 8.565 17.195 1.00 34.12 N ATOM 1579 CA GLY B 1 -9.119 8.104 17.937 1.00 74.25 C ATOM 1580 C GLY B 1 -9.086 6.621 18.298 1.00 11.32 C ATOM 1581 O GLY B 1 -9.903 6.164 19.105 1.00 45.25 O ATOM 0 H1 GLY B 1 -8.033 9.567 16.939 1.00 34.12 H new ATOM 0 H2 GLY B 1 -7.076 8.454 17.794 1.00 34.12 H new ATOM 0 H3 GLY B 1 -7.806 7.998 16.331 1.00 34.12 H new ATOM 0 HA2 GLY B 1 -9.217 8.689 18.851 1.00 74.25 H new ATOM 0 HA3 GLY B 1 -10.006 8.303 17.335 1.00 74.25 H new ATOM 1587 N SER B 2 -8.137 5.866 17.702 1.00 74.15 N ATOM 1588 CA SER B 2 -7.978 4.426 17.952 1.00 43.35 C ATOM 1589 C SER B 2 -6.532 4.016 17.627 1.00 72.22 C ATOM 1590 O SER B 2 -6.152 3.943 16.457 1.00 32.44 O ATOM 1591 CB SER B 2 -8.980 3.612 17.092 1.00 24.25 C ATOM 1592 OG SER B 2 -8.884 2.220 17.360 1.00 62.53 O ATOM 0 H SER B 2 -7.463 6.242 17.035 1.00 74.15 H new ATOM 0 HA SER B 2 -8.187 4.215 19.001 1.00 43.35 H new ATOM 0 HB2 SER B 2 -9.995 3.953 17.293 1.00 24.25 H new ATOM 0 HB3 SER B 2 -8.786 3.794 16.035 1.00 24.25 H new ATOM 0 HG SER B 2 -9.529 1.735 16.804 1.00 62.53 H new ATOM 1598 N MET B 3 -5.717 3.804 18.672 1.00 51.24 N ATOM 1599 CA MET B 3 -4.314 3.342 18.535 1.00 53.12 C ATOM 1600 C MET B 3 -4.151 1.947 19.170 1.00 0.43 C ATOM 1601 O MET B 3 -3.027 1.495 19.410 1.00 22.53 O ATOM 1602 CB MET B 3 -3.338 4.367 19.187 1.00 23.23 C ATOM 1603 CG MET B 3 -3.357 5.761 18.551 1.00 33.15 C ATOM 1604 SD MET B 3 -2.218 6.905 19.362 1.00 53.31 S ATOM 1605 CE MET B 3 -2.553 8.440 18.494 1.00 75.41 C ATOM 0 H MET B 3 -6.006 3.946 19.640 1.00 51.24 H new ATOM 0 HA MET B 3 -4.069 3.268 17.476 1.00 53.12 H new ATOM 0 HB2 MET B 3 -3.585 4.461 20.245 1.00 23.23 H new ATOM 0 HB3 MET B 3 -2.324 3.970 19.130 1.00 23.23 H new ATOM 0 HG2 MET B 3 -3.095 5.679 17.496 1.00 33.15 H new ATOM 0 HG3 MET B 3 -4.368 6.165 18.598 1.00 33.15 H new ATOM 0 HE1 MET B 3 -1.918 9.230 18.895 1.00 75.41 H new ATOM 0 HE2 MET B 3 -2.345 8.310 17.432 1.00 75.41 H new ATOM 0 HE3 MET B 3 -3.600 8.713 18.628 1.00 75.41 H new ATOM 1615 N GLN B 4 -5.291 1.272 19.430 1.00 71.50 N ATOM 1616 CA GLN B 4 -5.320 -0.083 19.996 1.00 65.43 C ATOM 1617 C GLN B 4 -5.183 -1.111 18.861 1.00 64.40 C ATOM 1618 O GLN B 4 -6.120 -1.302 18.074 1.00 34.53 O ATOM 1619 CB GLN B 4 -6.640 -0.311 20.787 1.00 51.52 C ATOM 1620 CG GLN B 4 -6.758 0.498 22.092 1.00 54.40 C ATOM 1621 CD GLN B 4 -5.701 0.121 23.139 1.00 42.22 C ATOM 1622 OE1 GLN B 4 -5.901 -0.778 23.954 1.00 34.33 O ATOM 1623 NE2 GLN B 4 -4.570 0.807 23.127 1.00 61.04 N ATOM 0 H GLN B 4 -6.218 1.658 19.251 1.00 71.50 H new ATOM 0 HA GLN B 4 -4.487 -0.204 20.689 1.00 65.43 H new ATOM 0 HB2 GLN B 4 -7.482 -0.059 20.142 1.00 51.52 H new ATOM 0 HB3 GLN B 4 -6.727 -1.371 21.024 1.00 51.52 H new ATOM 0 HG2 GLN B 4 -6.669 1.560 21.862 1.00 54.40 H new ATOM 0 HG3 GLN B 4 -7.750 0.346 22.517 1.00 54.40 H new ATOM 0 HE21 GLN B 4 -4.430 1.548 22.440 1.00 61.04 H new ATOM 0 HE22 GLN B 4 -3.838 0.595 23.805 1.00 61.04 H new ATOM 1632 N ASN B 5 -3.998 -1.737 18.776 1.00 32.12 N ATOM 1633 CA ASN B 5 -3.686 -2.744 17.749 1.00 3.51 C ATOM 1634 C ASN B 5 -2.529 -3.641 18.194 1.00 63.51 C ATOM 1635 O ASN B 5 -1.656 -3.221 18.965 1.00 0.43 O ATOM 1636 CB ASN B 5 -3.310 -2.086 16.402 1.00 15.42 C ATOM 1637 CG ASN B 5 -2.023 -1.234 16.429 1.00 20.23 C ATOM 1638 OD1 ASN B 5 -1.736 -0.524 17.398 1.00 1.51 O ATOM 1639 ND2 ASN B 5 -1.230 -1.315 15.372 1.00 45.15 N ATOM 0 H ASN B 5 -3.227 -1.558 19.420 1.00 32.12 H new ATOM 0 HA ASN B 5 -4.587 -3.343 17.615 1.00 3.51 H new ATOM 0 HB2 ASN B 5 -3.194 -2.869 15.652 1.00 15.42 H new ATOM 0 HB3 ASN B 5 -4.138 -1.456 16.079 1.00 15.42 H new ATOM 0 HD21 ASN B 5 -0.360 -0.784 15.346 1.00 45.15 H new ATOM 0 HD22 ASN B 5 -1.489 -1.909 14.584 1.00 45.15 H new ATOM 1646 N THR B 6 -2.540 -4.869 17.674 1.00 72.12 N ATOM 1647 CA THR B 6 -1.474 -5.869 17.837 1.00 22.33 C ATOM 1648 C THR B 6 -1.511 -6.789 16.605 1.00 4.14 C ATOM 1649 O THR B 6 -2.552 -6.863 15.932 1.00 34.12 O ATOM 1650 CB THR B 6 -1.666 -6.721 19.140 1.00 22.23 C ATOM 1651 OG1 THR B 6 -3.025 -7.165 19.230 1.00 22.45 O ATOM 1652 CG2 THR B 6 -1.291 -5.965 20.428 1.00 22.31 C ATOM 0 H THR B 6 -3.316 -5.210 17.107 1.00 72.12 H new ATOM 0 HA THR B 6 -0.514 -5.361 17.926 1.00 22.33 H new ATOM 0 HB THR B 6 -0.985 -7.568 19.060 1.00 22.23 H new ATOM 0 HG1 THR B 6 -3.088 -7.896 19.879 1.00 22.45 H new ATOM 0 HG21 THR B 6 -1.448 -6.614 21.290 1.00 22.31 H new ATOM 0 HG22 THR B 6 -0.243 -5.668 20.384 1.00 22.31 H new ATOM 0 HG23 THR B 6 -1.916 -5.077 20.524 1.00 22.31 H new ATOM 1660 N THR B 7 -0.400 -7.504 16.323 1.00 64.14 N ATOM 1661 CA THR B 7 -0.322 -8.425 15.171 1.00 73.34 C ATOM 1662 C THR B 7 -1.023 -9.778 15.500 1.00 13.00 C ATOM 1663 O THR B 7 -0.380 -10.811 15.723 1.00 0.43 O ATOM 1664 CB THR B 7 1.160 -8.621 14.705 1.00 12.34 C ATOM 1665 OG1 THR B 7 1.791 -7.329 14.596 1.00 5.03 O ATOM 1666 CG2 THR B 7 1.257 -9.346 13.342 1.00 54.43 C ATOM 0 H THR B 7 0.454 -7.460 16.878 1.00 64.14 H new ATOM 0 HA THR B 7 -0.858 -7.979 14.334 1.00 73.34 H new ATOM 0 HB THR B 7 1.662 -9.243 15.447 1.00 12.34 H new ATOM 0 HG1 THR B 7 1.208 -6.721 14.095 1.00 5.03 H new ATOM 0 HG21 THR B 7 2.305 -9.458 13.063 1.00 54.43 H new ATOM 0 HG22 THR B 7 0.795 -10.330 13.420 1.00 54.43 H new ATOM 0 HG23 THR B 7 0.739 -8.762 12.581 1.00 54.43 H new ATOM 1674 N HIS B 8 -2.365 -9.684 15.601 1.00 14.21 N ATOM 1675 CA HIS B 8 -3.319 -10.794 15.843 1.00 31.45 C ATOM 1676 C HIS B 8 -4.733 -10.191 15.935 1.00 21.12 C ATOM 1677 O HIS B 8 -5.715 -10.819 15.544 1.00 25.51 O ATOM 1678 CB HIS B 8 -3.014 -11.632 17.127 1.00 24.25 C ATOM 1679 CG HIS B 8 -3.133 -10.882 18.435 1.00 63.11 C ATOM 1680 ND1 HIS B 8 -4.335 -10.701 19.096 1.00 51.03 N ATOM 1681 CD2 HIS B 8 -2.197 -10.295 19.212 1.00 1.21 C ATOM 1682 CE1 HIS B 8 -4.130 -10.038 20.211 1.00 4.24 C ATOM 1683 NE2 HIS B 8 -2.845 -9.781 20.305 1.00 0.54 N ATOM 0 H HIS B 8 -2.841 -8.786 15.512 1.00 14.21 H new ATOM 0 HA HIS B 8 -3.226 -11.493 15.012 1.00 31.45 H new ATOM 0 HB2 HIS B 8 -3.693 -12.484 17.154 1.00 24.25 H new ATOM 0 HB3 HIS B 8 -2.003 -12.032 17.048 1.00 24.25 H new ATOM 0 HD2 HIS B 8 -1.137 -10.241 19.010 1.00 1.21 H new ATOM 0 HE1 HIS B 8 -4.887 -9.753 20.927 1.00 4.24 H new ATOM 0 HE2 HIS B 8 -2.399 -9.277 21.072 1.00 0.54 H new ATOM 1692 N ASP B 9 -4.801 -8.967 16.510 1.00 35.12 N ATOM 1693 CA ASP B 9 -6.041 -8.165 16.630 1.00 4.32 C ATOM 1694 C ASP B 9 -6.379 -7.528 15.274 1.00 1.11 C ATOM 1695 O ASP B 9 -7.552 -7.261 14.969 1.00 20.13 O ATOM 1696 CB ASP B 9 -5.859 -7.090 17.738 1.00 11.34 C ATOM 1697 CG ASP B 9 -7.158 -6.349 18.101 1.00 12.21 C ATOM 1698 OD1 ASP B 9 -7.988 -6.921 18.839 1.00 3.44 O ATOM 1699 OD2 ASP B 9 -7.355 -5.199 17.661 1.00 41.32 O ATOM 0 H ASP B 9 -3.985 -8.503 16.909 1.00 35.12 H new ATOM 0 HA ASP B 9 -6.875 -8.807 16.915 1.00 4.32 H new ATOM 0 HB2 ASP B 9 -5.461 -7.568 18.633 1.00 11.34 H new ATOM 0 HB3 ASP B 9 -5.117 -6.363 17.408 1.00 11.34 H new ATOM 1704 N ASN B 10 -5.329 -7.308 14.462 1.00 1.34 N ATOM 1705 CA ASN B 10 -5.472 -6.917 13.058 1.00 34.02 C ATOM 1706 C ASN B 10 -5.828 -8.154 12.204 1.00 51.24 C ATOM 1707 O ASN B 10 -5.658 -9.303 12.642 1.00 52.51 O ATOM 1708 CB ASN B 10 -4.179 -6.218 12.545 1.00 13.52 C ATOM 1709 CG ASN B 10 -2.940 -7.116 12.552 1.00 1.00 C ATOM 1710 OD1 ASN B 10 -2.859 -8.096 13.284 1.00 3.25 O ATOM 1711 ND2 ASN B 10 -1.947 -6.766 11.770 1.00 44.24 N ATOM 0 H ASN B 10 -4.360 -7.398 14.766 1.00 1.34 H new ATOM 0 HA ASN B 10 -6.285 -6.196 12.969 1.00 34.02 H new ATOM 0 HB2 ASN B 10 -4.350 -5.861 11.530 1.00 13.52 H new ATOM 0 HB3 ASN B 10 -3.983 -5.341 13.162 1.00 13.52 H new ATOM 0 HD21 ASN B 10 -1.086 -7.313 11.763 1.00 44.24 H new ATOM 0 HD22 ASN B 10 -2.036 -5.947 11.169 1.00 44.24 H new ATOM 1718 N VAL B 11 -6.330 -7.905 10.992 1.00 25.11 N ATOM 1719 CA VAL B 11 -6.807 -8.948 10.068 1.00 73.35 C ATOM 1720 C VAL B 11 -6.224 -8.693 8.682 1.00 32.31 C ATOM 1721 O VAL B 11 -6.014 -7.543 8.291 1.00 22.02 O ATOM 1722 CB VAL B 11 -8.385 -9.015 9.977 1.00 15.12 C ATOM 1723 CG1 VAL B 11 -8.991 -9.619 11.263 1.00 73.52 C ATOM 1724 CG2 VAL B 11 -8.994 -7.623 9.673 1.00 11.21 C ATOM 0 H VAL B 11 -6.420 -6.961 10.616 1.00 25.11 H new ATOM 0 HA VAL B 11 -6.471 -9.908 10.459 1.00 73.35 H new ATOM 0 HB VAL B 11 -8.639 -9.673 9.146 1.00 15.12 H new ATOM 0 HG11 VAL B 11 -10.077 -9.653 11.172 1.00 73.52 H new ATOM 0 HG12 VAL B 11 -8.607 -10.629 11.407 1.00 73.52 H new ATOM 0 HG13 VAL B 11 -8.717 -9.002 12.119 1.00 73.52 H new ATOM 0 HG21 VAL B 11 -10.079 -7.705 9.617 1.00 11.21 H new ATOM 0 HG22 VAL B 11 -8.723 -6.926 10.466 1.00 11.21 H new ATOM 0 HG23 VAL B 11 -8.608 -7.257 8.721 1.00 11.21 H new ATOM 1734 N ILE B 12 -5.971 -9.780 7.960 1.00 22.02 N ATOM 1735 CA ILE B 12 -5.415 -9.748 6.613 1.00 71.04 C ATOM 1736 C ILE B 12 -6.558 -9.647 5.587 1.00 22.42 C ATOM 1737 O ILE B 12 -7.098 -10.664 5.125 1.00 71.53 O ATOM 1738 CB ILE B 12 -4.566 -11.039 6.332 1.00 13.04 C ATOM 1739 CG1 ILE B 12 -3.522 -11.304 7.441 1.00 3.13 C ATOM 1740 CG2 ILE B 12 -3.876 -10.964 4.974 1.00 52.22 C ATOM 1741 CD1 ILE B 12 -2.441 -10.256 7.573 1.00 42.41 C ATOM 0 H ILE B 12 -6.150 -10.724 8.301 1.00 22.02 H new ATOM 0 HA ILE B 12 -4.763 -8.879 6.525 1.00 71.04 H new ATOM 0 HB ILE B 12 -5.267 -11.874 6.325 1.00 13.04 H new ATOM 0 HG12 ILE B 12 -4.043 -11.388 8.395 1.00 3.13 H new ATOM 0 HG13 ILE B 12 -3.050 -12.268 7.250 1.00 3.13 H new ATOM 0 HG21 ILE B 12 -3.297 -11.872 4.810 1.00 52.22 H new ATOM 0 HG22 ILE B 12 -4.626 -10.865 4.190 1.00 52.22 H new ATOM 0 HG23 ILE B 12 -3.211 -10.100 4.951 1.00 52.22 H new ATOM 0 HD11 ILE B 12 -1.760 -10.535 8.377 1.00 42.41 H new ATOM 0 HD12 ILE B 12 -1.887 -10.185 6.637 1.00 42.41 H new ATOM 0 HD13 ILE B 12 -2.895 -9.291 7.800 1.00 42.41 H new ATOM 1753 N LEU B 13 -6.960 -8.419 5.269 1.00 53.03 N ATOM 1754 CA LEU B 13 -7.982 -8.166 4.248 1.00 23.30 C ATOM 1755 C LEU B 13 -7.296 -8.032 2.899 1.00 22.00 C ATOM 1756 O LEU B 13 -6.881 -6.946 2.497 1.00 62.33 O ATOM 1757 CB LEU B 13 -8.810 -6.910 4.608 1.00 25.45 C ATOM 1758 CG LEU B 13 -9.497 -6.964 6.003 1.00 73.41 C ATOM 1759 CD1 LEU B 13 -10.293 -5.688 6.290 1.00 50.54 C ATOM 1760 CD2 LEU B 13 -10.380 -8.224 6.146 1.00 22.20 C ATOM 0 H LEU B 13 -6.592 -7.574 5.706 1.00 53.03 H new ATOM 0 HA LEU B 13 -8.684 -8.999 4.201 1.00 23.30 H new ATOM 0 HB2 LEU B 13 -8.157 -6.038 4.573 1.00 25.45 H new ATOM 0 HB3 LEU B 13 -9.576 -6.765 3.846 1.00 25.45 H new ATOM 0 HG LEU B 13 -8.708 -7.028 6.752 1.00 73.41 H new ATOM 0 HD11 LEU B 13 -10.758 -5.763 7.273 1.00 50.54 H new ATOM 0 HD12 LEU B 13 -9.623 -4.829 6.270 1.00 50.54 H new ATOM 0 HD13 LEU B 13 -11.066 -5.563 5.531 1.00 50.54 H new ATOM 0 HD21 LEU B 13 -10.846 -8.232 7.131 1.00 22.20 H new ATOM 0 HD22 LEU B 13 -11.154 -8.215 5.379 1.00 22.20 H new ATOM 0 HD23 LEU B 13 -9.764 -9.115 6.029 1.00 22.20 H new ATOM 1772 N GLU B 14 -7.128 -9.171 2.224 1.00 43.15 N ATOM 1773 CA GLU B 14 -6.393 -9.235 0.963 1.00 20.51 C ATOM 1774 C GLU B 14 -7.331 -9.013 -0.235 1.00 2.23 C ATOM 1775 O GLU B 14 -8.180 -9.847 -0.566 1.00 71.22 O ATOM 1776 CB GLU B 14 -5.592 -10.552 0.838 1.00 73.32 C ATOM 1777 CG GLU B 14 -6.351 -11.836 1.192 1.00 51.34 C ATOM 1778 CD GLU B 14 -5.596 -13.103 0.773 1.00 55.32 C ATOM 1779 OE1 GLU B 14 -4.606 -13.469 1.437 1.00 44.31 O ATOM 1780 OE2 GLU B 14 -5.952 -13.699 -0.257 1.00 65.35 O ATOM 0 H GLU B 14 -7.496 -10.070 2.536 1.00 43.15 H new ATOM 0 HA GLU B 14 -5.665 -8.424 0.959 1.00 20.51 H new ATOM 0 HB2 GLU B 14 -5.230 -10.638 -0.187 1.00 73.32 H new ATOM 0 HB3 GLU B 14 -4.715 -10.483 1.481 1.00 73.32 H new ATOM 0 HG2 GLU B 14 -6.530 -11.863 2.267 1.00 51.34 H new ATOM 0 HG3 GLU B 14 -7.327 -11.822 0.707 1.00 51.34 H new ATOM 1787 N LEU B 15 -7.188 -7.832 -0.835 1.00 62.13 N ATOM 1788 CA LEU B 15 -7.877 -7.446 -2.062 1.00 44.22 C ATOM 1789 C LEU B 15 -6.949 -7.703 -3.248 1.00 12.01 C ATOM 1790 O LEU B 15 -5.904 -7.054 -3.366 1.00 32.32 O ATOM 1791 CB LEU B 15 -8.285 -5.946 -2.014 1.00 75.10 C ATOM 1792 CG LEU B 15 -9.495 -5.559 -1.104 1.00 31.25 C ATOM 1793 CD1 LEU B 15 -10.789 -6.238 -1.568 1.00 1.51 C ATOM 1794 CD2 LEU B 15 -9.228 -5.807 0.398 1.00 3.23 C ATOM 0 H LEU B 15 -6.576 -7.102 -0.472 1.00 62.13 H new ATOM 0 HA LEU B 15 -8.786 -8.038 -2.168 1.00 44.22 H new ATOM 0 HB2 LEU B 15 -7.419 -5.372 -1.685 1.00 75.10 H new ATOM 0 HB3 LEU B 15 -8.512 -5.626 -3.031 1.00 75.10 H new ATOM 0 HG LEU B 15 -9.625 -4.482 -1.214 1.00 31.25 H new ATOM 0 HD11 LEU B 15 -11.609 -5.946 -0.912 1.00 1.51 H new ATOM 0 HD12 LEU B 15 -11.015 -5.931 -2.589 1.00 1.51 H new ATOM 0 HD13 LEU B 15 -10.665 -7.320 -1.533 1.00 1.51 H new ATOM 0 HD21 LEU B 15 -10.106 -5.518 0.976 1.00 3.23 H new ATOM 0 HD22 LEU B 15 -9.018 -6.864 0.561 1.00 3.23 H new ATOM 0 HD23 LEU B 15 -8.372 -5.214 0.718 1.00 3.23 H new ATOM 1806 N THR B 16 -7.312 -8.657 -4.108 1.00 43.31 N ATOM 1807 CA THR B 16 -6.626 -8.857 -5.382 1.00 32.44 C ATOM 1808 C THR B 16 -7.294 -7.947 -6.407 1.00 42.42 C ATOM 1809 O THR B 16 -8.374 -8.259 -6.904 1.00 42.43 O ATOM 1810 CB THR B 16 -6.684 -10.334 -5.880 1.00 12.52 C ATOM 1811 OG1 THR B 16 -6.164 -11.209 -4.874 1.00 53.24 O ATOM 1812 CG2 THR B 16 -5.890 -10.524 -7.187 1.00 31.23 C ATOM 0 H THR B 16 -8.082 -9.305 -3.942 1.00 43.31 H new ATOM 0 HA THR B 16 -5.571 -8.619 -5.249 1.00 32.44 H new ATOM 0 HB THR B 16 -7.728 -10.576 -6.078 1.00 12.52 H new ATOM 0 HG1 THR B 16 -5.197 -11.311 -4.997 1.00 53.24 H new ATOM 0 HG21 THR B 16 -5.953 -11.565 -7.503 1.00 31.23 H new ATOM 0 HG22 THR B 16 -6.308 -9.883 -7.963 1.00 31.23 H new ATOM 0 HG23 THR B 16 -4.846 -10.258 -7.020 1.00 31.23 H new ATOM 1820 N VAL B 17 -6.688 -6.789 -6.656 1.00 13.03 N ATOM 1821 CA VAL B 17 -7.196 -5.814 -7.615 1.00 22.14 C ATOM 1822 C VAL B 17 -6.265 -5.795 -8.831 1.00 13.14 C ATOM 1823 O VAL B 17 -5.072 -6.021 -8.697 1.00 31.33 O ATOM 1824 CB VAL B 17 -7.344 -4.378 -6.968 1.00 4.24 C ATOM 1825 CG1 VAL B 17 -7.927 -4.467 -5.536 1.00 71.22 C ATOM 1826 CG2 VAL B 17 -6.030 -3.567 -6.976 1.00 65.40 C ATOM 0 H VAL B 17 -5.825 -6.500 -6.195 1.00 13.03 H new ATOM 0 HA VAL B 17 -8.197 -6.106 -7.931 1.00 22.14 H new ATOM 0 HB VAL B 17 -8.046 -3.834 -7.599 1.00 4.24 H new ATOM 0 HG11 VAL B 17 -8.017 -3.465 -5.117 1.00 71.22 H new ATOM 0 HG12 VAL B 17 -8.911 -4.935 -5.572 1.00 71.22 H new ATOM 0 HG13 VAL B 17 -7.264 -5.064 -4.910 1.00 71.22 H new ATOM 0 HG21 VAL B 17 -6.201 -2.593 -6.518 1.00 65.40 H new ATOM 0 HG22 VAL B 17 -5.267 -4.104 -6.412 1.00 65.40 H new ATOM 0 HG23 VAL B 17 -5.693 -3.431 -8.004 1.00 65.40 H new ATOM 1836 N ARG B 18 -6.807 -5.592 -10.026 1.00 45.23 N ATOM 1837 CA ARG B 18 -5.978 -5.412 -11.233 1.00 24.33 C ATOM 1838 C ARG B 18 -5.840 -3.904 -11.507 1.00 40.30 C ATOM 1839 O ARG B 18 -6.846 -3.180 -11.536 1.00 53.21 O ATOM 1840 CB ARG B 18 -6.549 -6.223 -12.433 1.00 21.35 C ATOM 1841 CG ARG B 18 -7.977 -5.883 -12.881 1.00 33.13 C ATOM 1842 CD ARG B 18 -8.494 -6.842 -13.972 1.00 65.53 C ATOM 1843 NE ARG B 18 -7.603 -6.920 -15.159 1.00 62.21 N ATOM 1844 CZ ARG B 18 -7.942 -7.475 -16.341 1.00 73.12 C ATOM 1845 NH1 ARG B 18 -9.150 -8.002 -16.531 1.00 65.50 N ATOM 1846 NH2 ARG B 18 -7.052 -7.528 -17.326 1.00 71.10 N ATOM 0 H ARG B 18 -7.812 -5.546 -10.195 1.00 45.23 H new ATOM 0 HA ARG B 18 -4.977 -5.814 -11.077 1.00 24.33 H new ATOM 0 HB2 ARG B 18 -5.883 -6.083 -13.285 1.00 21.35 H new ATOM 0 HB3 ARG B 18 -6.517 -7.281 -12.174 1.00 21.35 H new ATOM 0 HG2 ARG B 18 -8.644 -5.923 -12.020 1.00 33.13 H new ATOM 0 HG3 ARG B 18 -8.003 -4.860 -13.258 1.00 33.13 H new ATOM 0 HD2 ARG B 18 -8.607 -7.839 -13.546 1.00 65.53 H new ATOM 0 HD3 ARG B 18 -9.485 -6.518 -14.291 1.00 65.53 H new ATOM 0 HE ARG B 18 -6.666 -6.525 -15.074 1.00 62.21 H new ATOM 0 HH11 ARG B 18 -9.836 -7.990 -15.776 1.00 65.50 H new ATOM 0 HH12 ARG B 18 -9.389 -8.418 -17.431 1.00 65.50 H new ATOM 0 HH21 ARG B 18 -6.115 -7.150 -17.188 1.00 71.10 H new ATOM 0 HH22 ARG B 18 -7.306 -7.947 -18.221 1.00 71.10 H new ATOM 1860 N ASN B 19 -4.572 -3.444 -11.650 1.00 54.15 N ATOM 1861 CA ASN B 19 -4.206 -2.017 -11.669 1.00 63.22 C ATOM 1862 C ASN B 19 -4.848 -1.252 -12.835 1.00 21.04 C ATOM 1863 O ASN B 19 -4.350 -1.250 -13.957 1.00 43.51 O ATOM 1864 CB ASN B 19 -2.654 -1.814 -11.654 1.00 61.13 C ATOM 1865 CG ASN B 19 -2.035 -1.911 -10.247 1.00 14.42 C ATOM 1866 OD1 ASN B 19 -2.688 -1.618 -9.246 1.00 21.22 O ATOM 1867 ND2 ASN B 19 -0.769 -2.276 -10.157 1.00 53.11 N ATOM 0 H ASN B 19 -3.770 -4.066 -11.756 1.00 54.15 H new ATOM 0 HA ASN B 19 -4.611 -1.592 -10.750 1.00 63.22 H new ATOM 0 HB2 ASN B 19 -2.192 -2.562 -12.298 1.00 61.13 H new ATOM 0 HB3 ASN B 19 -2.419 -0.838 -12.079 1.00 61.13 H new ATOM 0 HD21 ASN B 19 -0.314 -2.319 -9.245 1.00 53.11 H new ATOM 0 HD22 ASN B 19 -0.246 -2.515 -10.999 1.00 53.11 H new ATOM 1874 N HIS B 20 -6.016 -0.696 -12.536 1.00 71.22 N ATOM 1875 CA HIS B 20 -6.656 0.363 -13.335 1.00 2.11 C ATOM 1876 C HIS B 20 -6.234 1.724 -12.718 1.00 44.25 C ATOM 1877 O HIS B 20 -5.786 1.730 -11.561 1.00 15.11 O ATOM 1878 CB HIS B 20 -8.200 0.188 -13.309 1.00 71.32 C ATOM 1879 CG HIS B 20 -8.697 -1.193 -13.651 1.00 15.43 C ATOM 1880 ND1 HIS B 20 -9.744 -1.787 -12.987 1.00 44.53 N ATOM 1881 CD2 HIS B 20 -8.304 -2.085 -14.593 1.00 25.32 C ATOM 1882 CE1 HIS B 20 -9.972 -2.973 -13.501 1.00 61.02 C ATOM 1883 NE2 HIS B 20 -9.113 -3.177 -14.478 1.00 31.11 N ATOM 0 H HIS B 20 -6.562 -0.968 -11.718 1.00 71.22 H new ATOM 0 HA HIS B 20 -6.343 0.314 -14.378 1.00 2.11 H new ATOM 0 HB2 HIS B 20 -8.562 0.451 -12.315 1.00 71.32 H new ATOM 0 HB3 HIS B 20 -8.642 0.899 -14.008 1.00 71.32 H new ATOM 0 HD2 HIS B 20 -7.500 -1.955 -15.302 1.00 25.32 H new ATOM 0 HE1 HIS B 20 -10.735 -3.665 -13.177 1.00 61.02 H new ATOM 0 HE2 HIS B 20 -9.061 -4.016 -15.056 1.00 31.11 H new ATOM 1892 N PRO B 21 -6.338 2.879 -13.463 1.00 10.11 N ATOM 1893 CA PRO B 21 -5.945 4.229 -12.949 1.00 22.21 C ATOM 1894 C PRO B 21 -6.441 4.568 -11.509 1.00 73.14 C ATOM 1895 O PRO B 21 -7.615 4.887 -11.294 1.00 24.03 O ATOM 1896 CB PRO B 21 -6.565 5.183 -13.996 1.00 51.33 C ATOM 1897 CG PRO B 21 -6.525 4.404 -15.279 1.00 62.24 C ATOM 1898 CD PRO B 21 -6.802 2.965 -14.885 1.00 53.42 C ATOM 0 HA PRO B 21 -4.863 4.303 -12.841 1.00 22.21 H new ATOM 0 HB2 PRO B 21 -7.586 5.457 -13.729 1.00 51.33 H new ATOM 0 HB3 PRO B 21 -5.996 6.110 -14.076 1.00 51.33 H new ATOM 0 HG2 PRO B 21 -7.272 4.769 -15.984 1.00 62.24 H new ATOM 0 HG3 PRO B 21 -5.554 4.498 -15.766 1.00 62.24 H new ATOM 0 HD2 PRO B 21 -7.861 2.724 -14.974 1.00 53.42 H new ATOM 0 HD3 PRO B 21 -6.262 2.266 -15.523 1.00 53.42 H new ATOM 1906 N GLY B 22 -5.516 4.450 -10.530 1.00 4.42 N ATOM 1907 CA GLY B 22 -5.757 4.838 -9.136 1.00 44.02 C ATOM 1908 C GLY B 22 -6.706 3.917 -8.368 1.00 73.34 C ATOM 1909 O GLY B 22 -7.667 4.381 -7.747 1.00 35.12 O ATOM 0 H GLY B 22 -4.579 4.080 -10.693 1.00 4.42 H new ATOM 0 HA2 GLY B 22 -4.802 4.870 -8.612 1.00 44.02 H new ATOM 0 HA3 GLY B 22 -6.163 5.849 -9.120 1.00 44.02 H new ATOM 1913 N VAL B 23 -6.462 2.605 -8.439 1.00 45.22 N ATOM 1914 CA VAL B 23 -7.252 1.590 -7.692 1.00 3.24 C ATOM 1915 C VAL B 23 -6.711 1.339 -6.274 1.00 50.45 C ATOM 1916 O VAL B 23 -7.457 0.929 -5.381 1.00 60.13 O ATOM 1917 CB VAL B 23 -7.362 0.254 -8.489 1.00 23.10 C ATOM 1918 CG1 VAL B 23 -8.157 0.498 -9.782 1.00 3.42 C ATOM 1919 CG2 VAL B 23 -5.970 -0.354 -8.777 1.00 52.05 C ATOM 0 H VAL B 23 -5.717 2.206 -9.010 1.00 45.22 H new ATOM 0 HA VAL B 23 -8.253 2.006 -7.579 1.00 3.24 H new ATOM 0 HB VAL B 23 -7.896 -0.477 -7.882 1.00 23.10 H new ATOM 0 HG11 VAL B 23 -8.236 -0.434 -10.342 1.00 3.42 H new ATOM 0 HG12 VAL B 23 -9.155 0.857 -9.533 1.00 3.42 H new ATOM 0 HG13 VAL B 23 -7.644 1.244 -10.389 1.00 3.42 H new ATOM 0 HG21 VAL B 23 -6.087 -1.284 -9.334 1.00 52.05 H new ATOM 0 HG22 VAL B 23 -5.380 0.349 -9.365 1.00 52.05 H new ATOM 0 HG23 VAL B 23 -5.460 -0.557 -7.835 1.00 52.05 H new ATOM 1929 N MET B 24 -5.404 1.556 -6.092 1.00 2.15 N ATOM 1930 CA MET B 24 -4.731 1.438 -4.779 1.00 71.22 C ATOM 1931 C MET B 24 -5.322 2.419 -3.732 1.00 43.21 C ATOM 1932 O MET B 24 -5.256 2.166 -2.529 1.00 3.11 O ATOM 1933 CB MET B 24 -3.196 1.621 -4.928 1.00 75.33 C ATOM 1934 CG MET B 24 -2.747 2.938 -5.588 1.00 65.43 C ATOM 1935 SD MET B 24 -3.172 3.053 -7.347 1.00 53.33 S ATOM 1936 CE MET B 24 -2.249 1.679 -8.039 1.00 54.12 C ATOM 0 H MET B 24 -4.774 1.820 -6.850 1.00 2.15 H new ATOM 0 HA MET B 24 -4.916 0.431 -4.405 1.00 71.22 H new ATOM 0 HB2 MET B 24 -2.742 1.557 -3.939 1.00 75.33 H new ATOM 0 HB3 MET B 24 -2.803 0.789 -5.513 1.00 75.33 H new ATOM 0 HG2 MET B 24 -3.203 3.774 -5.058 1.00 65.43 H new ATOM 0 HG3 MET B 24 -1.668 3.041 -5.477 1.00 65.43 H new ATOM 0 HE1 MET B 24 -1.568 2.048 -8.806 1.00 54.12 H new ATOM 0 HE2 MET B 24 -1.677 1.191 -7.250 1.00 54.12 H new ATOM 0 HE3 MET B 24 -2.941 0.963 -8.482 1.00 54.12 H new ATOM 1946 N THR B 25 -5.893 3.538 -4.209 1.00 33.44 N ATOM 1947 CA THR B 25 -6.597 4.516 -3.357 1.00 2.31 C ATOM 1948 C THR B 25 -7.851 3.906 -2.681 1.00 2.34 C ATOM 1949 O THR B 25 -8.266 4.376 -1.623 1.00 21.24 O ATOM 1950 CB THR B 25 -7.024 5.755 -4.189 1.00 13.20 C ATOM 1951 OG1 THR B 25 -7.926 5.329 -5.219 1.00 4.12 O ATOM 1952 CG2 THR B 25 -5.812 6.464 -4.824 1.00 61.04 C ATOM 0 H THR B 25 -5.880 3.792 -5.197 1.00 33.44 H new ATOM 0 HA THR B 25 -5.897 4.814 -2.576 1.00 2.31 H new ATOM 0 HB THR B 25 -7.509 6.468 -3.522 1.00 13.20 H new ATOM 0 HG1 THR B 25 -7.415 5.052 -6.008 1.00 4.12 H new ATOM 0 HG21 THR B 25 -6.154 7.325 -5.398 1.00 61.04 H new ATOM 0 HG22 THR B 25 -5.133 6.797 -4.039 1.00 61.04 H new ATOM 0 HG23 THR B 25 -5.291 5.772 -5.485 1.00 61.04 H new ATOM 1960 N HIS B 26 -8.462 2.888 -3.331 1.00 31.45 N ATOM 1961 CA HIS B 26 -9.685 2.220 -2.829 1.00 21.51 C ATOM 1962 C HIS B 26 -9.403 1.479 -1.514 1.00 12.43 C ATOM 1963 O HIS B 26 -10.103 1.688 -0.517 1.00 51.12 O ATOM 1964 CB HIS B 26 -10.254 1.231 -3.887 1.00 11.23 C ATOM 1965 CG HIS B 26 -10.599 1.853 -5.217 1.00 4.42 C ATOM 1966 ND1 HIS B 26 -10.808 1.108 -6.354 1.00 20.34 N ATOM 1967 CD2 HIS B 26 -10.767 3.150 -5.592 1.00 70.32 C ATOM 1968 CE1 HIS B 26 -11.081 1.908 -7.356 1.00 11.21 C ATOM 1969 NE2 HIS B 26 -11.064 3.144 -6.920 1.00 34.42 N ATOM 0 H HIS B 26 -8.122 2.508 -4.215 1.00 31.45 H new ATOM 0 HA HIS B 26 -10.430 2.993 -2.641 1.00 21.51 H new ATOM 0 HB2 HIS B 26 -9.524 0.438 -4.052 1.00 11.23 H new ATOM 0 HB3 HIS B 26 -11.149 0.761 -3.479 1.00 11.23 H new ATOM 0 HD2 HIS B 26 -10.681 4.019 -4.957 1.00 70.32 H new ATOM 0 HE1 HIS B 26 -11.286 1.600 -8.371 1.00 11.21 H new ATOM 0 HE2 HIS B 26 -11.245 3.972 -7.487 1.00 34.42 H new ATOM 1978 N VAL B 27 -8.345 0.641 -1.510 1.00 53.42 N ATOM 1979 CA VAL B 27 -7.968 -0.150 -0.319 1.00 23.42 C ATOM 1980 C VAL B 27 -7.533 0.776 0.836 1.00 31.10 C ATOM 1981 O VAL B 27 -7.870 0.541 2.000 1.00 24.42 O ATOM 1982 CB VAL B 27 -6.845 -1.218 -0.638 1.00 5.33 C ATOM 1983 CG1 VAL B 27 -7.295 -2.203 -1.743 1.00 75.42 C ATOM 1984 CG2 VAL B 27 -5.492 -0.571 -1.009 1.00 61.23 C ATOM 0 H VAL B 27 -7.738 0.495 -2.316 1.00 53.42 H new ATOM 0 HA VAL B 27 -8.854 -0.703 -0.008 1.00 23.42 H new ATOM 0 HB VAL B 27 -6.692 -1.778 0.284 1.00 5.33 H new ATOM 0 HG11 VAL B 27 -6.499 -2.922 -1.936 1.00 75.42 H new ATOM 0 HG12 VAL B 27 -8.190 -2.732 -1.416 1.00 75.42 H new ATOM 0 HG13 VAL B 27 -7.513 -1.650 -2.656 1.00 75.42 H new ATOM 0 HG21 VAL B 27 -4.760 -1.352 -1.217 1.00 61.23 H new ATOM 0 HG22 VAL B 27 -5.618 0.054 -1.893 1.00 61.23 H new ATOM 0 HG23 VAL B 27 -5.142 0.042 -0.178 1.00 61.23 H new ATOM 1994 N CYS B 28 -6.830 1.858 0.476 1.00 64.21 N ATOM 1995 CA CYS B 28 -6.352 2.862 1.424 1.00 52.32 C ATOM 1996 C CYS B 28 -7.502 3.714 1.986 1.00 2.15 C ATOM 1997 O CYS B 28 -7.500 4.055 3.169 1.00 41.14 O ATOM 1998 CB CYS B 28 -5.303 3.744 0.721 1.00 1.14 C ATOM 1999 SG CYS B 28 -3.806 2.843 0.279 1.00 40.40 S ATOM 0 H CYS B 28 -6.577 2.059 -0.491 1.00 64.21 H new ATOM 0 HA CYS B 28 -5.898 2.356 2.276 1.00 52.32 H new ATOM 0 HB2 CYS B 28 -5.742 4.172 -0.180 1.00 1.14 H new ATOM 0 HB3 CYS B 28 -5.040 4.576 1.374 1.00 1.14 H new ATOM 0 HG CYS B 28 -2.920 3.674 -0.183 1.00 40.40 H new ATOM 2005 N GLY B 29 -8.490 4.016 1.131 1.00 32.11 N ATOM 2006 CA GLY B 29 -9.602 4.883 1.495 1.00 55.20 C ATOM 2007 C GLY B 29 -10.574 4.213 2.452 1.00 14.22 C ATOM 2008 O GLY B 29 -10.892 4.773 3.505 1.00 4.14 O ATOM 0 H GLY B 29 -8.534 3.664 0.175 1.00 32.11 H new ATOM 0 HA2 GLY B 29 -9.214 5.792 1.954 1.00 55.20 H new ATOM 0 HA3 GLY B 29 -10.135 5.183 0.593 1.00 55.20 H new ATOM 2012 N LEU B 30 -10.994 2.984 2.100 1.00 41.30 N ATOM 2013 CA LEU B 30 -12.058 2.252 2.815 1.00 32.24 C ATOM 2014 C LEU B 30 -11.659 1.874 4.254 1.00 13.53 C ATOM 2015 O LEU B 30 -12.464 2.023 5.179 1.00 53.13 O ATOM 2016 CB LEU B 30 -12.504 0.985 2.010 1.00 4.42 C ATOM 2017 CG LEU B 30 -13.661 1.194 0.974 1.00 25.31 C ATOM 2018 CD1 LEU B 30 -14.954 1.690 1.670 1.00 32.33 C ATOM 2019 CD2 LEU B 30 -13.258 2.140 -0.181 1.00 63.42 C ATOM 0 H LEU B 30 -10.605 2.469 1.310 1.00 41.30 H new ATOM 0 HA LEU B 30 -12.905 2.933 2.893 1.00 32.24 H new ATOM 0 HB2 LEU B 30 -11.636 0.593 1.480 1.00 4.42 H new ATOM 0 HB3 LEU B 30 -12.815 0.220 2.721 1.00 4.42 H new ATOM 0 HG LEU B 30 -13.862 0.219 0.530 1.00 25.31 H new ATOM 0 HD11 LEU B 30 -15.739 1.826 0.926 1.00 32.33 H new ATOM 0 HD12 LEU B 30 -15.276 0.954 2.407 1.00 32.33 H new ATOM 0 HD13 LEU B 30 -14.758 2.640 2.168 1.00 32.33 H new ATOM 0 HD21 LEU B 30 -14.095 2.250 -0.870 1.00 63.42 H new ATOM 0 HD22 LEU B 30 -12.991 3.116 0.224 1.00 63.42 H new ATOM 0 HD23 LEU B 30 -12.403 1.722 -0.713 1.00 63.42 H new ATOM 2031 N PHE B 31 -10.440 1.361 4.441 1.00 64.32 N ATOM 2032 CA PHE B 31 -10.009 0.841 5.758 1.00 42.40 C ATOM 2033 C PHE B 31 -9.505 1.955 6.697 1.00 52.54 C ATOM 2034 O PHE B 31 -9.615 1.829 7.924 1.00 53.10 O ATOM 2035 CB PHE B 31 -8.995 -0.307 5.566 1.00 23.25 C ATOM 2036 CG PHE B 31 -9.566 -1.444 4.698 1.00 43.54 C ATOM 2037 CD1 PHE B 31 -10.806 -2.021 5.003 1.00 75.13 C ATOM 2038 CD2 PHE B 31 -8.898 -1.900 3.567 1.00 73.40 C ATOM 2039 CE1 PHE B 31 -11.341 -3.015 4.205 1.00 53.32 C ATOM 2040 CE2 PHE B 31 -9.438 -2.892 2.768 1.00 35.02 C ATOM 2041 CZ PHE B 31 -10.658 -3.449 3.088 1.00 20.13 C ATOM 0 H PHE B 31 -9.733 1.291 3.709 1.00 64.32 H new ATOM 0 HA PHE B 31 -10.879 0.426 6.267 1.00 42.40 H new ATOM 0 HB2 PHE B 31 -8.089 0.083 5.102 1.00 23.25 H new ATOM 0 HB3 PHE B 31 -8.708 -0.704 6.540 1.00 23.25 H new ATOM 0 HD1 PHE B 31 -11.351 -1.685 5.873 1.00 75.13 H new ATOM 0 HD2 PHE B 31 -7.941 -1.472 3.308 1.00 73.40 H new ATOM 0 HE1 PHE B 31 -12.296 -3.453 4.457 1.00 53.32 H new ATOM 0 HE2 PHE B 31 -8.903 -3.230 1.893 1.00 35.02 H new ATOM 0 HZ PHE B 31 -11.078 -4.224 2.465 1.00 20.13 H new ATOM 2051 N ALA B 32 -8.971 3.047 6.116 1.00 1.52 N ATOM 2052 CA ALA B 32 -8.524 4.229 6.887 1.00 52.34 C ATOM 2053 C ALA B 32 -9.715 4.994 7.498 1.00 73.25 C ATOM 2054 O ALA B 32 -9.667 5.408 8.663 1.00 53.15 O ATOM 2055 CB ALA B 32 -7.699 5.166 5.999 1.00 42.00 C ATOM 0 H ALA B 32 -8.837 3.137 5.109 1.00 1.52 H new ATOM 0 HA ALA B 32 -7.901 3.869 7.706 1.00 52.34 H new ATOM 0 HB1 ALA B 32 -7.378 6.030 6.581 1.00 42.00 H new ATOM 0 HB2 ALA B 32 -6.824 4.635 5.625 1.00 42.00 H new ATOM 0 HB3 ALA B 32 -8.308 5.500 5.159 1.00 42.00 H new ATOM 2061 N ARG B 33 -10.796 5.156 6.697 1.00 12.20 N ATOM 2062 CA ARG B 33 -11.963 5.985 7.073 1.00 12.12 C ATOM 2063 C ARG B 33 -12.786 5.380 8.223 1.00 73.10 C ATOM 2064 O ARG B 33 -13.622 6.083 8.798 1.00 5.01 O ATOM 2065 CB ARG B 33 -12.891 6.212 5.849 1.00 23.45 C ATOM 2066 CG ARG B 33 -13.570 4.930 5.325 1.00 10.15 C ATOM 2067 CD ARG B 33 -14.376 5.142 4.039 1.00 30.15 C ATOM 2068 NE ARG B 33 -15.596 5.944 4.245 1.00 10.14 N ATOM 2069 CZ ARG B 33 -16.406 6.369 3.259 1.00 11.12 C ATOM 2070 NH1 ARG B 33 -16.136 6.084 1.977 1.00 21.14 N ATOM 2071 NH2 ARG B 33 -17.500 7.069 3.552 1.00 13.45 N ATOM 0 H ARG B 33 -10.882 4.719 5.780 1.00 12.20 H new ATOM 0 HA ARG B 33 -11.558 6.935 7.420 1.00 12.12 H new ATOM 0 HB2 ARG B 33 -13.662 6.933 6.120 1.00 23.45 H new ATOM 0 HB3 ARG B 33 -12.308 6.657 5.043 1.00 23.45 H new ATOM 0 HG2 ARG B 33 -12.807 4.173 5.144 1.00 10.15 H new ATOM 0 HG3 ARG B 33 -14.231 4.538 6.098 1.00 10.15 H new ATOM 0 HD2 ARG B 33 -13.745 5.635 3.299 1.00 30.15 H new ATOM 0 HD3 ARG B 33 -14.652 4.172 3.626 1.00 30.15 H new ATOM 0 HE ARG B 33 -15.843 6.194 5.203 1.00 10.14 H new ATOM 0 HH11 ARG B 33 -15.308 5.538 1.739 1.00 21.14 H new ATOM 0 HH12 ARG B 33 -16.759 6.413 1.239 1.00 21.14 H new ATOM 0 HH21 ARG B 33 -17.724 7.283 4.524 1.00 13.45 H new ATOM 0 HH22 ARG B 33 -18.115 7.392 2.804 1.00 13.45 H new ATOM 2085 N ARG B 34 -12.554 4.081 8.535 1.00 73.02 N ATOM 2086 CA ARG B 34 -13.308 3.362 9.565 1.00 23.23 C ATOM 2087 C ARG B 34 -13.093 4.031 10.933 1.00 15.30 C ATOM 2088 O ARG B 34 -14.036 4.574 11.515 1.00 11.11 O ATOM 2089 CB ARG B 34 -12.898 1.855 9.597 1.00 0.45 C ATOM 2090 CG ARG B 34 -13.544 0.984 10.716 1.00 12.12 C ATOM 2091 CD ARG B 34 -15.089 0.890 10.642 1.00 24.12 C ATOM 2092 NE ARG B 34 -15.771 2.151 11.027 1.00 65.33 N ATOM 2093 CZ ARG B 34 -16.379 2.391 12.205 1.00 42.50 C ATOM 2094 NH1 ARG B 34 -16.428 1.472 13.165 1.00 23.32 N ATOM 2095 NH2 ARG B 34 -16.922 3.573 12.417 1.00 15.53 N ATOM 0 H ARG B 34 -11.841 3.514 8.076 1.00 73.02 H new ATOM 0 HA ARG B 34 -14.370 3.407 9.325 1.00 23.23 H new ATOM 0 HB2 ARG B 34 -13.148 1.413 8.633 1.00 0.45 H new ATOM 0 HB3 ARG B 34 -11.815 1.798 9.703 1.00 0.45 H new ATOM 0 HG2 ARG B 34 -13.128 -0.022 10.662 1.00 12.12 H new ATOM 0 HG3 ARG B 34 -13.263 1.394 11.686 1.00 12.12 H new ATOM 0 HD2 ARG B 34 -15.382 0.621 9.627 1.00 24.12 H new ATOM 0 HD3 ARG B 34 -15.429 0.086 11.295 1.00 24.12 H new ATOM 0 HE ARG B 34 -15.780 2.903 10.338 1.00 65.33 H new ATOM 0 HH11 ARG B 34 -15.999 0.558 13.019 1.00 23.32 H new ATOM 0 HH12 ARG B 34 -16.895 1.681 14.047 1.00 23.32 H new ATOM 0 HH21 ARG B 34 -16.878 4.291 11.694 1.00 15.53 H new ATOM 0 HH22 ARG B 34 -17.386 3.769 13.304 1.00 15.53 H new ATOM 2109 N ALA B 35 -11.834 4.024 11.392 1.00 72.33 N ATOM 2110 CA ALA B 35 -11.431 4.601 12.683 1.00 43.23 C ATOM 2111 C ALA B 35 -9.920 4.466 12.833 1.00 72.23 C ATOM 2112 O ALA B 35 -9.192 5.452 12.994 1.00 64.14 O ATOM 2113 CB ALA B 35 -12.156 3.907 13.862 1.00 64.25 C ATOM 0 H ALA B 35 -11.058 3.613 10.872 1.00 72.33 H new ATOM 0 HA ALA B 35 -11.713 5.654 12.704 1.00 43.23 H new ATOM 0 HB1 ALA B 35 -11.836 4.357 14.802 1.00 64.25 H new ATOM 0 HB2 ALA B 35 -13.233 4.030 13.750 1.00 64.25 H new ATOM 0 HB3 ALA B 35 -11.910 2.845 13.866 1.00 64.25 H new ATOM 2119 N PHE B 36 -9.465 3.215 12.768 1.00 65.51 N ATOM 2120 CA PHE B 36 -8.050 2.862 12.873 1.00 55.22 C ATOM 2121 C PHE B 36 -7.423 2.871 11.469 1.00 23.11 C ATOM 2122 O PHE B 36 -8.033 2.378 10.513 1.00 63.34 O ATOM 2123 CB PHE B 36 -7.921 1.465 13.538 1.00 31.22 C ATOM 2124 CG PHE B 36 -6.496 0.910 13.618 1.00 70.04 C ATOM 2125 CD1 PHE B 36 -5.501 1.595 14.310 1.00 42.42 C ATOM 2126 CD2 PHE B 36 -6.149 -0.285 12.979 1.00 40.22 C ATOM 2127 CE1 PHE B 36 -4.212 1.104 14.364 1.00 23.41 C ATOM 2128 CE2 PHE B 36 -4.861 -0.774 13.034 1.00 1.32 C ATOM 2129 CZ PHE B 36 -3.893 -0.075 13.720 1.00 51.45 C ATOM 0 H PHE B 36 -10.076 2.409 12.639 1.00 65.51 H new ATOM 0 HA PHE B 36 -7.520 3.587 13.491 1.00 55.22 H new ATOM 0 HB2 PHE B 36 -8.329 1.522 14.547 1.00 31.22 H new ATOM 0 HB3 PHE B 36 -8.539 0.758 12.984 1.00 31.22 H new ATOM 0 HD1 PHE B 36 -5.740 2.522 14.811 1.00 42.42 H new ATOM 0 HD2 PHE B 36 -6.902 -0.834 12.434 1.00 40.22 H new ATOM 0 HE1 PHE B 36 -3.452 1.643 14.911 1.00 23.41 H new ATOM 0 HE2 PHE B 36 -4.612 -1.702 12.541 1.00 1.32 H new ATOM 0 HZ PHE B 36 -2.881 -0.450 13.754 1.00 51.45 H new ATOM 2139 N ASN B 37 -6.207 3.442 11.362 1.00 12.52 N ATOM 2140 CA ASN B 37 -5.429 3.449 10.108 1.00 13.20 C ATOM 2141 C ASN B 37 -4.878 2.053 9.838 1.00 44.12 C ATOM 2142 O ASN B 37 -4.677 1.277 10.766 1.00 73.22 O ATOM 2143 CB ASN B 37 -4.255 4.447 10.183 1.00 25.00 C ATOM 2144 CG ASN B 37 -4.711 5.885 10.413 1.00 72.33 C ATOM 2145 OD1 ASN B 37 -5.054 6.579 9.467 1.00 71.43 O ATOM 2146 ND2 ASN B 37 -4.712 6.344 11.660 1.00 12.13 N ATOM 0 H ASN B 37 -5.739 3.909 12.138 1.00 12.52 H new ATOM 0 HA ASN B 37 -6.095 3.755 9.301 1.00 13.20 H new ATOM 0 HB2 ASN B 37 -3.584 4.151 10.989 1.00 25.00 H new ATOM 0 HB3 ASN B 37 -3.682 4.397 9.257 1.00 25.00 H new ATOM 0 HD21 ASN B 37 -5.005 7.302 11.851 1.00 12.13 H new ATOM 0 HD22 ASN B 37 -4.420 5.738 12.427 1.00 12.13 H new ATOM 2153 N VAL B 38 -4.610 1.754 8.567 1.00 50.25 N ATOM 2154 CA VAL B 38 -4.061 0.456 8.170 1.00 14.24 C ATOM 2155 C VAL B 38 -2.648 0.266 8.783 1.00 74.50 C ATOM 2156 O VAL B 38 -1.730 1.040 8.488 1.00 65.44 O ATOM 2157 CB VAL B 38 -4.012 0.303 6.608 1.00 52.31 C ATOM 2158 CG1 VAL B 38 -3.588 -1.123 6.217 1.00 11.12 C ATOM 2159 CG2 VAL B 38 -5.367 0.680 5.957 1.00 63.42 C ATOM 0 H VAL B 38 -4.765 2.397 7.790 1.00 50.25 H new ATOM 0 HA VAL B 38 -4.722 -0.321 8.553 1.00 14.24 H new ATOM 0 HB VAL B 38 -3.264 0.999 6.228 1.00 52.31 H new ATOM 0 HG11 VAL B 38 -3.560 -1.209 5.131 1.00 11.12 H new ATOM 0 HG12 VAL B 38 -2.599 -1.333 6.623 1.00 11.12 H new ATOM 0 HG13 VAL B 38 -4.305 -1.839 6.619 1.00 11.12 H new ATOM 0 HG21 VAL B 38 -5.296 0.562 4.876 1.00 63.42 H new ATOM 0 HG22 VAL B 38 -6.150 0.027 6.343 1.00 63.42 H new ATOM 0 HG23 VAL B 38 -5.609 1.716 6.194 1.00 63.42 H new ATOM 2169 N GLU B 39 -2.531 -0.743 9.673 1.00 2.44 N ATOM 2170 CA GLU B 39 -1.285 -1.091 10.384 1.00 53.44 C ATOM 2171 C GLU B 39 -0.158 -1.414 9.385 1.00 13.24 C ATOM 2172 O GLU B 39 0.952 -0.878 9.491 1.00 32.22 O ATOM 2173 CB GLU B 39 -1.550 -2.311 11.322 1.00 33.01 C ATOM 2174 CG GLU B 39 -0.361 -2.745 12.210 1.00 24.21 C ATOM 2175 CD GLU B 39 -0.641 -4.017 13.043 1.00 3.12 C ATOM 2176 OE1 GLU B 39 -1.622 -4.016 13.826 1.00 44.30 O ATOM 2177 OE2 GLU B 39 0.104 -5.019 12.906 1.00 70.05 O ATOM 0 H GLU B 39 -3.314 -1.348 9.921 1.00 2.44 H new ATOM 0 HA GLU B 39 -0.966 -0.238 10.982 1.00 53.44 H new ATOM 0 HB2 GLU B 39 -2.394 -2.072 11.969 1.00 33.01 H new ATOM 0 HB3 GLU B 39 -1.850 -3.160 10.707 1.00 33.01 H new ATOM 0 HG2 GLU B 39 0.509 -2.920 11.577 1.00 24.21 H new ATOM 0 HG3 GLU B 39 -0.105 -1.928 12.885 1.00 24.21 H new ATOM 2184 N GLY B 40 -0.482 -2.255 8.389 1.00 22.15 N ATOM 2185 CA GLY B 40 0.489 -2.702 7.391 1.00 42.41 C ATOM 2186 C GLY B 40 -0.162 -3.006 6.056 1.00 34.41 C ATOM 2187 O GLY B 40 -1.316 -3.409 6.007 1.00 42.24 O ATOM 0 H GLY B 40 -1.418 -2.638 8.258 1.00 22.15 H new ATOM 0 HA2 GLY B 40 1.249 -1.933 7.256 1.00 42.41 H new ATOM 0 HA3 GLY B 40 0.999 -3.593 7.756 1.00 42.41 H new ATOM 2191 N ILE B 41 0.587 -2.814 4.968 1.00 42.42 N ATOM 2192 CA ILE B 41 0.120 -3.035 3.576 1.00 21.35 C ATOM 2193 C ILE B 41 1.205 -3.833 2.834 1.00 74.13 C ATOM 2194 O ILE B 41 2.384 -3.687 3.140 1.00 63.21 O ATOM 2195 CB ILE B 41 -0.115 -1.655 2.822 1.00 51.14 C ATOM 2196 CG1 ILE B 41 -1.127 -0.746 3.585 1.00 41.24 C ATOM 2197 CG2 ILE B 41 -0.560 -1.851 1.361 1.00 20.53 C ATOM 2198 CD1 ILE B 41 -1.334 0.634 2.973 1.00 11.34 C ATOM 0 H ILE B 41 1.554 -2.495 5.019 1.00 42.42 H new ATOM 0 HA ILE B 41 -0.827 -3.575 3.597 1.00 21.35 H new ATOM 0 HB ILE B 41 0.851 -1.151 2.804 1.00 51.14 H new ATOM 0 HG12 ILE B 41 -2.089 -1.256 3.630 1.00 41.24 H new ATOM 0 HG13 ILE B 41 -0.782 -0.625 4.612 1.00 41.24 H new ATOM 0 HG21 ILE B 41 -0.707 -0.878 0.892 1.00 20.53 H new ATOM 0 HG22 ILE B 41 0.207 -2.404 0.818 1.00 20.53 H new ATOM 0 HG23 ILE B 41 -1.495 -2.410 1.337 1.00 20.53 H new ATOM 0 HD11 ILE B 41 -2.053 1.193 3.571 1.00 11.34 H new ATOM 0 HD12 ILE B 41 -0.385 1.169 2.953 1.00 11.34 H new ATOM 0 HD13 ILE B 41 -1.712 0.528 1.956 1.00 11.34 H new ATOM 2210 N LEU B 42 0.809 -4.681 1.877 1.00 15.24 N ATOM 2211 CA LEU B 42 1.750 -5.318 0.944 1.00 30.32 C ATOM 2212 C LEU B 42 1.034 -5.592 -0.383 1.00 42.03 C ATOM 2213 O LEU B 42 0.153 -6.418 -0.459 1.00 44.44 O ATOM 2214 CB LEU B 42 2.380 -6.611 1.549 1.00 72.13 C ATOM 2215 CG LEU B 42 3.356 -7.451 0.629 1.00 24.31 C ATOM 2216 CD1 LEU B 42 4.315 -6.563 -0.188 1.00 53.32 C ATOM 2217 CD2 LEU B 42 4.154 -8.461 1.470 1.00 51.23 C ATOM 0 H LEU B 42 -0.165 -4.944 1.727 1.00 15.24 H new ATOM 0 HA LEU B 42 2.582 -4.639 0.759 1.00 30.32 H new ATOM 0 HB2 LEU B 42 2.927 -6.329 2.449 1.00 72.13 H new ATOM 0 HB3 LEU B 42 1.567 -7.266 1.862 1.00 72.13 H new ATOM 0 HG LEU B 42 2.731 -7.988 -0.084 1.00 24.31 H new ATOM 0 HD11 LEU B 42 4.961 -7.192 -0.800 1.00 53.32 H new ATOM 0 HD12 LEU B 42 3.737 -5.900 -0.832 1.00 53.32 H new ATOM 0 HD13 LEU B 42 4.926 -5.967 0.490 1.00 53.32 H new ATOM 0 HD21 LEU B 42 4.820 -9.030 0.821 1.00 51.23 H new ATOM 0 HD22 LEU B 42 4.743 -7.928 2.216 1.00 51.23 H new ATOM 0 HD23 LEU B 42 3.466 -9.142 1.970 1.00 51.23 H new ATOM 2229 N CYS B 43 1.403 -4.830 -1.404 1.00 63.20 N ATOM 2230 CA CYS B 43 0.952 -5.025 -2.781 1.00 3.44 C ATOM 2231 C CYS B 43 2.006 -5.833 -3.550 1.00 31.42 C ATOM 2232 O CYS B 43 3.093 -5.325 -3.859 1.00 44.22 O ATOM 2233 CB CYS B 43 0.721 -3.659 -3.429 1.00 21.10 C ATOM 2234 SG CYS B 43 0.457 -3.668 -5.200 1.00 61.20 S ATOM 0 H CYS B 43 2.039 -4.040 -1.298 1.00 63.20 H new ATOM 0 HA CYS B 43 0.014 -5.580 -2.800 1.00 3.44 H new ATOM 0 HB2 CYS B 43 -0.144 -3.195 -2.955 1.00 21.10 H new ATOM 0 HB3 CYS B 43 1.581 -3.026 -3.213 1.00 21.10 H new ATOM 0 HG CYS B 43 -0.725 -4.143 -5.460 1.00 61.20 H new ATOM 2240 N LEU B 44 1.689 -7.112 -3.795 1.00 61.50 N ATOM 2241 CA LEU B 44 2.544 -8.028 -4.559 1.00 2.10 C ATOM 2242 C LEU B 44 1.997 -8.098 -5.996 1.00 34.43 C ATOM 2243 O LEU B 44 0.877 -8.599 -6.191 1.00 24.34 O ATOM 2244 CB LEU B 44 2.524 -9.430 -3.897 1.00 3.52 C ATOM 2245 CG LEU B 44 3.632 -10.450 -4.321 1.00 14.41 C ATOM 2246 CD1 LEU B 44 5.017 -10.020 -3.797 1.00 65.31 C ATOM 2247 CD2 LEU B 44 3.277 -11.875 -3.832 1.00 41.10 C ATOM 0 H LEU B 44 0.825 -7.542 -3.465 1.00 61.50 H new ATOM 0 HA LEU B 44 3.575 -7.675 -4.574 1.00 2.10 H new ATOM 0 HB2 LEU B 44 2.590 -9.292 -2.818 1.00 3.52 H new ATOM 0 HB3 LEU B 44 1.554 -9.884 -4.102 1.00 3.52 H new ATOM 0 HG LEU B 44 3.678 -10.462 -5.410 1.00 14.41 H new ATOM 0 HD11 LEU B 44 5.766 -10.749 -4.108 1.00 65.31 H new ATOM 0 HD12 LEU B 44 5.272 -9.041 -4.204 1.00 65.31 H new ATOM 0 HD13 LEU B 44 4.993 -9.966 -2.709 1.00 65.31 H new ATOM 0 HD21 LEU B 44 4.060 -12.570 -4.137 1.00 41.10 H new ATOM 0 HD22 LEU B 44 3.193 -11.876 -2.745 1.00 41.10 H new ATOM 0 HD23 LEU B 44 2.327 -12.184 -4.269 1.00 41.10 H new ATOM 2259 N PRO B 45 2.728 -7.544 -7.011 1.00 23.10 N ATOM 2260 CA PRO B 45 2.320 -7.673 -8.428 1.00 15.31 C ATOM 2261 C PRO B 45 2.400 -9.144 -8.892 1.00 64.54 C ATOM 2262 O PRO B 45 3.487 -9.741 -8.909 1.00 74.13 O ATOM 2263 CB PRO B 45 3.317 -6.754 -9.186 1.00 63.21 C ATOM 2264 CG PRO B 45 4.513 -6.635 -8.280 1.00 74.34 C ATOM 2265 CD PRO B 45 3.974 -6.733 -6.866 1.00 24.45 C ATOM 0 HA PRO B 45 1.285 -7.381 -8.608 1.00 15.31 H new ATOM 0 HB2 PRO B 45 3.594 -7.183 -10.149 1.00 63.21 H new ATOM 0 HB3 PRO B 45 2.877 -5.777 -9.387 1.00 63.21 H new ATOM 0 HG2 PRO B 45 5.234 -7.428 -8.479 1.00 74.34 H new ATOM 0 HG3 PRO B 45 5.029 -5.688 -8.437 1.00 74.34 H new ATOM 0 HD2 PRO B 45 4.689 -7.215 -6.199 1.00 24.45 H new ATOM 0 HD3 PRO B 45 3.763 -5.748 -6.450 1.00 24.45 H new ATOM 2273 N ILE B 46 1.228 -9.724 -9.217 1.00 50.11 N ATOM 2274 CA ILE B 46 1.106 -11.136 -9.616 1.00 4.12 C ATOM 2275 C ILE B 46 1.865 -11.377 -10.933 1.00 55.25 C ATOM 2276 O ILE B 46 1.633 -10.681 -11.923 1.00 4.53 O ATOM 2277 CB ILE B 46 -0.400 -11.558 -9.778 1.00 53.10 C ATOM 2278 CG1 ILE B 46 -1.210 -11.264 -8.473 1.00 74.10 C ATOM 2279 CG2 ILE B 46 -0.532 -13.048 -10.189 1.00 62.22 C ATOM 2280 CD1 ILE B 46 -0.705 -11.966 -7.228 1.00 20.25 C ATOM 0 H ILE B 46 0.339 -9.224 -9.210 1.00 50.11 H new ATOM 0 HA ILE B 46 1.544 -11.748 -8.828 1.00 4.12 H new ATOM 0 HB ILE B 46 -0.824 -10.956 -10.582 1.00 53.10 H new ATOM 0 HG12 ILE B 46 -1.201 -10.189 -8.293 1.00 74.10 H new ATOM 0 HG13 ILE B 46 -2.249 -11.551 -8.637 1.00 74.10 H new ATOM 0 HG21 ILE B 46 -1.586 -13.305 -10.292 1.00 62.22 H new ATOM 0 HG22 ILE B 46 -0.025 -13.209 -11.140 1.00 62.22 H new ATOM 0 HG23 ILE B 46 -0.078 -13.678 -9.424 1.00 62.22 H new ATOM 0 HD11 ILE B 46 -1.333 -11.697 -6.379 1.00 20.25 H new ATOM 0 HD12 ILE B 46 -0.741 -13.045 -7.379 1.00 20.25 H new ATOM 0 HD13 ILE B 46 0.323 -11.661 -7.030 1.00 20.25 H new ATOM 2292 N GLN B 47 2.770 -12.369 -10.925 1.00 24.35 N ATOM 2293 CA GLN B 47 3.666 -12.672 -12.061 1.00 11.22 C ATOM 2294 C GLN B 47 2.914 -13.295 -13.253 1.00 32.15 C ATOM 2295 O GLN B 47 3.408 -13.271 -14.380 1.00 73.14 O ATOM 2296 CB GLN B 47 4.788 -13.635 -11.598 1.00 43.23 C ATOM 2297 CG GLN B 47 4.298 -15.039 -11.172 1.00 61.35 C ATOM 2298 CD GLN B 47 5.402 -15.916 -10.588 1.00 41.42 C ATOM 2299 OE1 GLN B 47 6.089 -16.644 -11.305 1.00 51.41 O ATOM 2300 NE2 GLN B 47 5.590 -15.839 -9.286 1.00 64.45 N ATOM 0 H GLN B 47 2.904 -12.989 -10.127 1.00 24.35 H new ATOM 0 HA GLN B 47 4.092 -11.727 -12.399 1.00 11.22 H new ATOM 0 HB2 GLN B 47 5.509 -13.747 -12.407 1.00 43.23 H new ATOM 0 HB3 GLN B 47 5.317 -13.180 -10.760 1.00 43.23 H new ATOM 0 HG2 GLN B 47 3.503 -14.930 -10.434 1.00 61.35 H new ATOM 0 HG3 GLN B 47 3.864 -15.542 -12.036 1.00 61.35 H new ATOM 0 HE21 GLN B 47 5.003 -15.225 -8.721 1.00 64.45 H new ATOM 0 HE22 GLN B 47 6.323 -16.393 -8.843 1.00 64.45 H new ATOM 2309 N ASP B 48 1.736 -13.870 -12.986 1.00 34.11 N ATOM 2310 CA ASP B 48 0.980 -14.641 -13.984 1.00 33.33 C ATOM 2311 C ASP B 48 0.150 -13.730 -14.906 1.00 32.24 C ATOM 2312 O ASP B 48 0.071 -13.958 -16.116 1.00 43.13 O ATOM 2313 CB ASP B 48 0.050 -15.647 -13.265 1.00 61.41 C ATOM 2314 CG ASP B 48 0.808 -16.600 -12.321 1.00 11.34 C ATOM 2315 OD1 ASP B 48 1.307 -17.640 -12.797 1.00 30.22 O ATOM 2316 OD2 ASP B 48 0.907 -16.308 -11.107 1.00 11.43 O ATOM 0 H ASP B 48 1.280 -13.815 -12.075 1.00 34.11 H new ATOM 0 HA ASP B 48 1.697 -15.175 -14.608 1.00 33.33 H new ATOM 0 HB2 ASP B 48 -0.698 -15.097 -12.693 1.00 61.41 H new ATOM 0 HB3 ASP B 48 -0.487 -16.234 -14.010 1.00 61.41 H new ATOM 2321 N SER B 49 -0.470 -12.703 -14.321 1.00 43.51 N ATOM 2322 CA SER B 49 -1.398 -11.802 -15.040 1.00 20.30 C ATOM 2323 C SER B 49 -1.258 -10.374 -14.509 1.00 34.21 C ATOM 2324 O SER B 49 -0.597 -10.159 -13.489 1.00 2.44 O ATOM 2325 CB SER B 49 -2.853 -12.308 -14.869 1.00 24.43 C ATOM 2326 OG SER B 49 -3.015 -13.627 -15.382 1.00 22.13 O ATOM 0 H SER B 49 -0.349 -12.465 -13.336 1.00 43.51 H new ATOM 0 HA SER B 49 -1.150 -11.800 -16.101 1.00 20.30 H new ATOM 0 HB2 SER B 49 -3.122 -12.293 -13.813 1.00 24.43 H new ATOM 0 HB3 SER B 49 -3.536 -11.631 -15.382 1.00 24.43 H new ATOM 0 HG SER B 49 -3.943 -13.915 -15.256 1.00 22.13 H new ATOM 2332 N ASP B 50 -1.887 -9.395 -15.205 1.00 33.41 N ATOM 2333 CA ASP B 50 -1.870 -7.987 -14.771 1.00 24.14 C ATOM 2334 C ASP B 50 -2.783 -7.820 -13.538 1.00 4.35 C ATOM 2335 O ASP B 50 -3.942 -7.422 -13.632 1.00 52.22 O ATOM 2336 CB ASP B 50 -2.253 -7.018 -15.943 1.00 45.05 C ATOM 2337 CG ASP B 50 -3.670 -7.231 -16.522 1.00 41.00 C ATOM 2338 OD1 ASP B 50 -3.890 -8.233 -17.221 1.00 0.14 O ATOM 2339 OD2 ASP B 50 -4.575 -6.414 -16.261 1.00 53.03 O ATOM 0 H ASP B 50 -2.409 -9.560 -16.066 1.00 33.41 H new ATOM 0 HA ASP B 50 -0.856 -7.712 -14.480 1.00 24.14 H new ATOM 0 HB2 ASP B 50 -2.171 -5.991 -15.588 1.00 45.05 H new ATOM 0 HB3 ASP B 50 -1.526 -7.136 -16.746 1.00 45.05 H new ATOM 2344 N LYS B 51 -2.257 -8.216 -12.374 1.00 12.25 N ATOM 2345 CA LYS B 51 -2.977 -8.184 -11.099 1.00 35.24 C ATOM 2346 C LYS B 51 -2.040 -7.668 -10.012 1.00 30.31 C ATOM 2347 O LYS B 51 -0.812 -7.656 -10.173 1.00 44.24 O ATOM 2348 CB LYS B 51 -3.523 -9.594 -10.729 1.00 73.21 C ATOM 2349 CG LYS B 51 -4.601 -10.152 -11.682 1.00 10.15 C ATOM 2350 CD LYS B 51 -5.024 -11.590 -11.315 1.00 75.24 C ATOM 2351 CE LYS B 51 -6.061 -12.174 -12.284 1.00 51.44 C ATOM 2352 NZ LYS B 51 -6.425 -13.575 -11.934 1.00 40.40 N ATOM 0 H LYS B 51 -1.305 -8.573 -12.291 1.00 12.25 H new ATOM 0 HA LYS B 51 -3.833 -7.516 -11.190 1.00 35.24 H new ATOM 0 HB2 LYS B 51 -2.688 -10.294 -10.702 1.00 73.21 H new ATOM 0 HB3 LYS B 51 -3.937 -9.553 -9.722 1.00 73.21 H new ATOM 0 HG2 LYS B 51 -5.475 -9.502 -11.658 1.00 10.15 H new ATOM 0 HG3 LYS B 51 -4.221 -10.137 -12.704 1.00 10.15 H new ATOM 0 HD2 LYS B 51 -4.142 -12.231 -11.305 1.00 75.24 H new ATOM 0 HD3 LYS B 51 -5.434 -11.596 -10.305 1.00 75.24 H new ATOM 0 HE2 LYS B 51 -6.957 -11.553 -12.273 1.00 51.44 H new ATOM 0 HE3 LYS B 51 -5.665 -12.145 -13.299 1.00 51.44 H new ATOM 0 HZ1 LYS B 51 -7.127 -13.931 -12.613 1.00 40.40 H new ATOM 0 HZ2 LYS B 51 -5.575 -14.174 -11.969 1.00 40.40 H new ATOM 0 HZ3 LYS B 51 -6.827 -13.600 -10.975 1.00 40.40 H new ATOM 2366 N SER B 52 -2.645 -7.279 -8.901 1.00 42.15 N ATOM 2367 CA SER B 52 -1.979 -6.619 -7.790 1.00 72.15 C ATOM 2368 C SER B 52 -2.691 -7.064 -6.511 1.00 13.10 C ATOM 2369 O SER B 52 -3.839 -6.691 -6.278 1.00 21.31 O ATOM 2370 CB SER B 52 -2.068 -5.085 -7.998 1.00 32.13 C ATOM 2371 OG SER B 52 -1.432 -4.380 -6.969 1.00 71.31 O ATOM 0 H SER B 52 -3.643 -7.418 -8.743 1.00 42.15 H new ATOM 0 HA SER B 52 -0.923 -6.882 -7.723 1.00 72.15 H new ATOM 0 HB2 SER B 52 -1.614 -4.821 -8.953 1.00 32.13 H new ATOM 0 HB3 SER B 52 -3.115 -4.786 -8.050 1.00 32.13 H new ATOM 0 HG SER B 52 -0.461 -4.483 -7.053 1.00 71.31 H new ATOM 2377 N HIS B 53 -2.043 -7.916 -5.716 1.00 63.43 N ATOM 2378 CA HIS B 53 -2.666 -8.523 -4.530 1.00 10.55 C ATOM 2379 C HIS B 53 -2.196 -7.772 -3.276 1.00 31.43 C ATOM 2380 O HIS B 53 -1.070 -7.968 -2.821 1.00 41.24 O ATOM 2381 CB HIS B 53 -2.284 -10.029 -4.479 1.00 42.23 C ATOM 2382 CG HIS B 53 -3.088 -10.881 -3.530 1.00 2.34 C ATOM 2383 ND1 HIS B 53 -3.636 -12.087 -3.902 1.00 54.12 N ATOM 2384 CD2 HIS B 53 -3.343 -10.755 -2.210 1.00 44.21 C ATOM 2385 CE1 HIS B 53 -4.206 -12.647 -2.863 1.00 14.04 C ATOM 2386 NE2 HIS B 53 -4.033 -11.868 -1.823 1.00 4.22 N ATOM 0 H HIS B 53 -1.077 -8.206 -5.871 1.00 63.43 H new ATOM 0 HA HIS B 53 -3.752 -8.448 -4.578 1.00 10.55 H new ATOM 0 HB2 HIS B 53 -2.384 -10.443 -5.482 1.00 42.23 H new ATOM 0 HB3 HIS B 53 -1.232 -10.108 -4.205 1.00 42.23 H new ATOM 0 HD1 HIS B 53 -3.604 -12.484 -4.841 1.00 54.12 H new ATOM 0 HD2 HIS B 53 -3.055 -9.928 -1.578 1.00 44.21 H new ATOM 0 HE1 HIS B 53 -4.730 -13.591 -2.864 1.00 14.04 H new ATOM 2395 N ILE B 54 -3.060 -6.894 -2.748 1.00 33.22 N ATOM 2396 CA ILE B 54 -2.747 -6.063 -1.582 1.00 53.51 C ATOM 2397 C ILE B 54 -3.317 -6.714 -0.297 1.00 64.54 C ATOM 2398 O ILE B 54 -4.526 -6.903 -0.198 1.00 35.23 O ATOM 2399 CB ILE B 54 -3.309 -4.587 -1.713 1.00 44.41 C ATOM 2400 CG1 ILE B 54 -2.941 -3.899 -3.075 1.00 11.21 C ATOM 2401 CG2 ILE B 54 -2.782 -3.736 -0.550 1.00 14.13 C ATOM 2402 CD1 ILE B 54 -3.822 -4.268 -4.244 1.00 45.43 C ATOM 0 H ILE B 54 -3.997 -6.741 -3.120 1.00 33.22 H new ATOM 0 HA ILE B 54 -1.660 -5.998 -1.525 1.00 53.51 H new ATOM 0 HB ILE B 54 -4.396 -4.659 -1.681 1.00 44.41 H new ATOM 0 HG12 ILE B 54 -2.980 -2.818 -2.939 1.00 11.21 H new ATOM 0 HG13 ILE B 54 -1.910 -4.152 -3.324 1.00 11.21 H new ATOM 0 HG21 ILE B 54 -3.168 -2.720 -0.638 1.00 14.13 H new ATOM 0 HG22 ILE B 54 -3.111 -4.168 0.395 1.00 14.13 H new ATOM 0 HG23 ILE B 54 -1.693 -3.714 -0.579 1.00 14.13 H new ATOM 0 HD11 ILE B 54 -3.484 -3.740 -5.135 1.00 45.43 H new ATOM 0 HD12 ILE B 54 -3.767 -5.343 -4.416 1.00 45.43 H new ATOM 0 HD13 ILE B 54 -4.853 -3.988 -4.025 1.00 45.43 H new ATOM 2414 N TRP B 55 -2.438 -7.064 0.670 1.00 42.41 N ATOM 2415 CA TRP B 55 -2.845 -7.527 2.018 1.00 24.15 C ATOM 2416 C TRP B 55 -2.972 -6.301 2.957 1.00 5.31 C ATOM 2417 O TRP B 55 -1.969 -5.634 3.233 1.00 11.34 O ATOM 2418 CB TRP B 55 -1.804 -8.543 2.589 1.00 74.15 C ATOM 2419 CG TRP B 55 -1.683 -9.838 1.794 1.00 0.42 C ATOM 2420 CD1 TRP B 55 -2.375 -10.992 1.989 1.00 43.33 C ATOM 2421 CD2 TRP B 55 -0.817 -10.105 0.692 1.00 44.05 C ATOM 2422 NE1 TRP B 55 -2.019 -11.937 1.075 1.00 60.24 N ATOM 2423 CE2 TRP B 55 -1.057 -11.425 0.270 1.00 22.01 C ATOM 2424 CE3 TRP B 55 0.126 -9.359 0.024 1.00 42.03 C ATOM 2425 CZ2 TRP B 55 -0.392 -12.001 -0.800 1.00 2.50 C ATOM 2426 CZ3 TRP B 55 0.792 -9.923 -1.027 1.00 73.21 C ATOM 2427 CH2 TRP B 55 0.533 -11.236 -1.438 1.00 5.31 C ATOM 0 H TRP B 55 -1.427 -7.034 0.538 1.00 42.41 H new ATOM 0 HA TRP B 55 -3.807 -8.035 1.949 1.00 24.15 H new ATOM 0 HB2 TRP B 55 -0.827 -8.061 2.625 1.00 74.15 H new ATOM 0 HB3 TRP B 55 -2.078 -8.786 3.616 1.00 74.15 H new ATOM 0 HD1 TRP B 55 -3.110 -11.140 2.766 1.00 43.33 H new ATOM 0 HE1 TRP B 55 -2.412 -12.876 1.008 1.00 60.24 H new ATOM 0 HE3 TRP B 55 0.337 -8.344 0.326 1.00 42.03 H new ATOM 0 HZ2 TRP B 55 -0.599 -13.013 -1.114 1.00 2.50 H new ATOM 0 HZ3 TRP B 55 1.536 -9.343 -1.553 1.00 73.21 H new ATOM 0 HH2 TRP B 55 1.077 -11.648 -2.275 1.00 5.31 H new ATOM 2438 N LEU B 56 -4.204 -5.990 3.415 1.00 62.33 N ATOM 2439 CA LEU B 56 -4.470 -4.829 4.302 1.00 35.32 C ATOM 2440 C LEU B 56 -4.639 -5.297 5.754 1.00 1.23 C ATOM 2441 O LEU B 56 -5.638 -5.923 6.096 1.00 13.13 O ATOM 2442 CB LEU B 56 -5.745 -4.038 3.868 1.00 2.44 C ATOM 2443 CG LEU B 56 -5.683 -3.264 2.511 1.00 12.33 C ATOM 2444 CD1 LEU B 56 -4.453 -2.338 2.439 1.00 12.32 C ATOM 2445 CD2 LEU B 56 -5.778 -4.215 1.299 1.00 51.43 C ATOM 0 H LEU B 56 -5.038 -6.530 3.184 1.00 62.33 H new ATOM 0 HA LEU B 56 -3.611 -4.162 4.221 1.00 35.32 H new ATOM 0 HB2 LEU B 56 -6.577 -4.741 3.817 1.00 2.44 H new ATOM 0 HB3 LEU B 56 -5.981 -3.321 4.654 1.00 2.44 H new ATOM 0 HG LEU B 56 -6.562 -2.620 2.466 1.00 12.33 H new ATOM 0 HD11 LEU B 56 -4.445 -1.818 1.481 1.00 12.32 H new ATOM 0 HD12 LEU B 56 -4.499 -1.609 3.248 1.00 12.32 H new ATOM 0 HD13 LEU B 56 -3.544 -2.932 2.537 1.00 12.32 H new ATOM 0 HD21 LEU B 56 -5.731 -3.635 0.377 1.00 51.43 H new ATOM 0 HD22 LEU B 56 -4.949 -4.922 1.326 1.00 51.43 H new ATOM 0 HD23 LEU B 56 -6.721 -4.760 1.337 1.00 51.43 H new ATOM 2457 N LEU B 57 -3.656 -4.970 6.594 1.00 42.14 N ATOM 2458 CA LEU B 57 -3.676 -5.275 8.027 1.00 5.52 C ATOM 2459 C LEU B 57 -4.342 -4.115 8.780 1.00 75.44 C ATOM 2460 O LEU B 57 -3.759 -3.049 8.912 1.00 52.11 O ATOM 2461 CB LEU B 57 -2.234 -5.512 8.565 1.00 42.24 C ATOM 2462 CG LEU B 57 -1.545 -6.860 8.176 1.00 3.51 C ATOM 2463 CD1 LEU B 57 -1.311 -6.996 6.657 1.00 11.13 C ATOM 2464 CD2 LEU B 57 -0.237 -7.058 8.968 1.00 31.15 C ATOM 0 H LEU B 57 -2.813 -4.480 6.296 1.00 42.14 H new ATOM 0 HA LEU B 57 -4.246 -6.190 8.187 1.00 5.52 H new ATOM 0 HB2 LEU B 57 -1.603 -4.695 8.214 1.00 42.24 H new ATOM 0 HB3 LEU B 57 -2.263 -5.448 9.653 1.00 42.24 H new ATOM 0 HG LEU B 57 -2.236 -7.658 8.450 1.00 3.51 H new ATOM 0 HD11 LEU B 57 -0.830 -7.951 6.447 1.00 11.13 H new ATOM 0 HD12 LEU B 57 -2.267 -6.949 6.136 1.00 11.13 H new ATOM 0 HD13 LEU B 57 -0.670 -6.184 6.313 1.00 11.13 H new ATOM 0 HD21 LEU B 57 0.224 -8.003 8.680 1.00 31.15 H new ATOM 0 HD22 LEU B 57 0.448 -6.239 8.750 1.00 31.15 H new ATOM 0 HD23 LEU B 57 -0.457 -7.072 10.036 1.00 31.15 H new ATOM 2476 N VAL B 58 -5.575 -4.336 9.237 1.00 73.41 N ATOM 2477 CA VAL B 58 -6.354 -3.362 10.042 1.00 24.11 C ATOM 2478 C VAL B 58 -7.089 -4.144 11.130 1.00 54.33 C ATOM 2479 O VAL B 58 -7.394 -5.314 10.915 1.00 45.13 O ATOM 2480 CB VAL B 58 -7.383 -2.571 9.143 1.00 24.43 C ATOM 2481 CG1 VAL B 58 -8.469 -3.491 8.548 1.00 54.21 C ATOM 2482 CG2 VAL B 58 -8.004 -1.364 9.896 1.00 53.13 C ATOM 0 H VAL B 58 -6.078 -5.206 9.062 1.00 73.41 H new ATOM 0 HA VAL B 58 -5.683 -2.626 10.484 1.00 24.11 H new ATOM 0 HB VAL B 58 -6.815 -2.170 8.304 1.00 24.43 H new ATOM 0 HG11 VAL B 58 -9.152 -2.900 7.938 1.00 54.21 H new ATOM 0 HG12 VAL B 58 -7.999 -4.256 7.930 1.00 54.21 H new ATOM 0 HG13 VAL B 58 -9.024 -3.968 9.356 1.00 54.21 H new ATOM 0 HG21 VAL B 58 -8.706 -0.848 9.241 1.00 53.13 H new ATOM 0 HG22 VAL B 58 -8.529 -1.719 10.782 1.00 53.13 H new ATOM 0 HG23 VAL B 58 -7.213 -0.676 10.195 1.00 53.13 H new ATOM 2492 N ASN B 59 -7.354 -3.542 12.300 1.00 61.43 N ATOM 2493 CA ASN B 59 -8.063 -4.266 13.370 1.00 23.13 C ATOM 2494 C ASN B 59 -9.531 -4.492 12.974 1.00 42.44 C ATOM 2495 O ASN B 59 -10.193 -3.597 12.432 1.00 34.31 O ATOM 2496 CB ASN B 59 -7.946 -3.589 14.757 1.00 45.11 C ATOM 2497 CG ASN B 59 -8.684 -2.253 14.893 1.00 64.04 C ATOM 2498 OD1 ASN B 59 -8.897 -1.530 13.927 1.00 3.05 O ATOM 2499 ND2 ASN B 59 -9.078 -1.919 16.105 1.00 74.34 N ATOM 0 H ASN B 59 -7.097 -2.582 12.528 1.00 61.43 H new ATOM 0 HA ASN B 59 -7.571 -5.232 13.478 1.00 23.13 H new ATOM 0 HB2 ASN B 59 -8.328 -4.276 15.512 1.00 45.11 H new ATOM 0 HB3 ASN B 59 -6.891 -3.427 14.977 1.00 45.11 H new ATOM 0 HD21 ASN B 59 -9.573 -1.040 16.256 1.00 74.34 H new ATOM 0 HD22 ASN B 59 -8.888 -2.539 16.892 1.00 74.34 H new ATOM 2506 N ASP B 60 -9.996 -5.725 13.189 1.00 43.12 N ATOM 2507 CA ASP B 60 -11.363 -6.143 12.880 1.00 63.13 C ATOM 2508 C ASP B 60 -12.382 -5.315 13.683 1.00 23.20 C ATOM 2509 O ASP B 60 -12.178 -5.032 14.868 1.00 62.42 O ATOM 2510 CB ASP B 60 -11.530 -7.652 13.168 1.00 24.04 C ATOM 2511 CG ASP B 60 -12.904 -8.208 12.742 1.00 63.25 C ATOM 2512 OD1 ASP B 60 -13.069 -8.565 11.568 1.00 33.33 O ATOM 2513 OD2 ASP B 60 -13.821 -8.291 13.583 1.00 44.54 O ATOM 0 H ASP B 60 -9.425 -6.470 13.588 1.00 43.12 H new ATOM 0 HA ASP B 60 -11.553 -5.967 11.821 1.00 63.13 H new ATOM 0 HB2 ASP B 60 -10.746 -8.203 12.648 1.00 24.04 H new ATOM 0 HB3 ASP B 60 -11.390 -7.829 14.234 1.00 24.04 H new ATOM 2518 N ASP B 61 -13.457 -4.911 13.006 1.00 11.13 N ATOM 2519 CA ASP B 61 -14.525 -4.103 13.583 1.00 15.21 C ATOM 2520 C ASP B 61 -15.864 -4.567 12.976 1.00 62.23 C ATOM 2521 O ASP B 61 -15.884 -5.082 11.851 1.00 14.03 O ATOM 2522 CB ASP B 61 -14.207 -2.609 13.297 1.00 55.43 C ATOM 2523 CG ASP B 61 -15.278 -1.639 13.796 1.00 1.24 C ATOM 2524 OD1 ASP B 61 -15.211 -1.181 14.955 1.00 43.22 O ATOM 2525 OD2 ASP B 61 -16.192 -1.326 13.026 1.00 21.54 O ATOM 0 H ASP B 61 -13.610 -5.141 12.024 1.00 11.13 H new ATOM 0 HA ASP B 61 -14.601 -4.221 14.664 1.00 15.21 H new ATOM 0 HB2 ASP B 61 -13.255 -2.355 13.764 1.00 55.43 H new ATOM 0 HB3 ASP B 61 -14.081 -2.474 12.223 1.00 55.43 H new ATOM 2530 N GLN B 62 -16.967 -4.390 13.720 1.00 43.42 N ATOM 2531 CA GLN B 62 -18.316 -4.839 13.294 1.00 32.01 C ATOM 2532 C GLN B 62 -18.765 -4.120 12.006 1.00 4.30 C ATOM 2533 O GLN B 62 -19.350 -4.729 11.107 1.00 63.54 O ATOM 2534 CB GLN B 62 -19.337 -4.603 14.438 1.00 61.01 C ATOM 2535 CG GLN B 62 -19.052 -5.420 15.716 1.00 63.41 C ATOM 2536 CD GLN B 62 -20.004 -5.081 16.872 1.00 1.31 C ATOM 2537 OE1 GLN B 62 -21.082 -5.661 17.005 1.00 50.34 O ATOM 2538 NE2 GLN B 62 -19.607 -4.137 17.714 1.00 2.22 N ATOM 0 H GLN B 62 -16.957 -3.934 14.632 1.00 43.42 H new ATOM 0 HA GLN B 62 -18.269 -5.906 13.075 1.00 32.01 H new ATOM 0 HB2 GLN B 62 -19.344 -3.543 14.691 1.00 61.01 H new ATOM 0 HB3 GLN B 62 -20.335 -4.851 14.076 1.00 61.01 H new ATOM 0 HG2 GLN B 62 -19.133 -6.482 15.486 1.00 63.41 H new ATOM 0 HG3 GLN B 62 -18.025 -5.240 16.034 1.00 63.41 H new ATOM 0 HE21 GLN B 62 -18.708 -3.676 17.576 1.00 2.22 H new ATOM 0 HE22 GLN B 62 -20.201 -3.872 18.500 1.00 2.22 H new ATOM 2547 N ARG B 63 -18.433 -2.827 11.934 1.00 33.35 N ATOM 2548 CA ARG B 63 -18.777 -1.948 10.805 1.00 42.01 C ATOM 2549 C ARG B 63 -17.782 -2.146 9.635 1.00 63.35 C ATOM 2550 O ARG B 63 -18.132 -1.894 8.481 1.00 62.50 O ATOM 2551 CB ARG B 63 -18.799 -0.470 11.284 1.00 75.44 C ATOM 2552 CG ARG B 63 -19.207 0.564 10.211 1.00 15.32 C ATOM 2553 CD ARG B 63 -20.653 0.386 9.706 1.00 55.41 C ATOM 2554 NE ARG B 63 -20.987 1.365 8.653 1.00 15.23 N ATOM 2555 CZ ARG B 63 -22.206 1.882 8.417 1.00 53.12 C ATOM 2556 NH1 ARG B 63 -23.261 1.521 9.156 1.00 61.43 N ATOM 2557 NH2 ARG B 63 -22.363 2.754 7.424 1.00 52.10 N ATOM 0 H ARG B 63 -17.909 -2.351 12.669 1.00 33.35 H new ATOM 0 HA ARG B 63 -19.769 -2.208 10.437 1.00 42.01 H new ATOM 0 HB2 ARG B 63 -19.487 -0.388 12.125 1.00 75.44 H new ATOM 0 HB3 ARG B 63 -17.808 -0.211 11.657 1.00 75.44 H new ATOM 0 HG2 ARG B 63 -19.095 1.567 10.623 1.00 15.32 H new ATOM 0 HG3 ARG B 63 -18.523 0.488 9.366 1.00 15.32 H new ATOM 0 HD2 ARG B 63 -20.781 -0.624 9.318 1.00 55.41 H new ATOM 0 HD3 ARG B 63 -21.346 0.497 10.540 1.00 55.41 H new ATOM 0 HE ARG B 63 -20.225 1.677 8.051 1.00 15.23 H new ATOM 0 HH11 ARG B 63 -23.147 0.845 9.911 1.00 61.43 H new ATOM 0 HH12 ARG B 63 -24.179 1.922 8.965 1.00 61.43 H new ATOM 0 HH21 ARG B 63 -21.563 3.024 6.851 1.00 52.10 H new ATOM 0 HH22 ARG B 63 -23.283 3.152 7.236 1.00 52.10 H new ATOM 2571 N LEU B 64 -16.539 -2.585 9.962 1.00 51.22 N ATOM 2572 CA LEU B 64 -15.442 -2.821 8.977 1.00 1.43 C ATOM 2573 C LEU B 64 -15.899 -3.704 7.784 1.00 4.55 C ATOM 2574 O LEU B 64 -15.459 -3.490 6.650 1.00 40.30 O ATOM 2575 CB LEU B 64 -14.246 -3.503 9.687 1.00 63.32 C ATOM 2576 CG LEU B 64 -12.911 -3.637 8.882 1.00 15.04 C ATOM 2577 CD1 LEU B 64 -12.163 -2.294 8.786 1.00 13.01 C ATOM 2578 CD2 LEU B 64 -12.004 -4.720 9.491 1.00 71.35 C ATOM 0 H LEU B 64 -16.264 -2.788 10.923 1.00 51.22 H new ATOM 0 HA LEU B 64 -15.149 -1.850 8.578 1.00 1.43 H new ATOM 0 HB2 LEU B 64 -14.034 -2.946 10.600 1.00 63.32 H new ATOM 0 HB3 LEU B 64 -14.559 -4.503 9.989 1.00 63.32 H new ATOM 0 HG LEU B 64 -13.176 -3.940 7.869 1.00 15.04 H new ATOM 0 HD11 LEU B 64 -11.242 -2.430 8.220 1.00 13.01 H new ATOM 0 HD12 LEU B 64 -12.794 -1.561 8.282 1.00 13.01 H new ATOM 0 HD13 LEU B 64 -11.923 -1.938 9.788 1.00 13.01 H new ATOM 0 HD21 LEU B 64 -11.083 -4.792 8.912 1.00 71.35 H new ATOM 0 HD22 LEU B 64 -11.765 -4.457 10.521 1.00 71.35 H new ATOM 0 HD23 LEU B 64 -12.520 -5.680 9.472 1.00 71.35 H new ATOM 2590 N GLU B 65 -16.812 -4.671 8.063 1.00 65.04 N ATOM 2591 CA GLU B 65 -17.368 -5.605 7.053 1.00 65.54 C ATOM 2592 C GLU B 65 -18.096 -4.872 5.913 1.00 52.30 C ATOM 2593 O GLU B 65 -18.132 -5.354 4.779 1.00 54.10 O ATOM 2594 CB GLU B 65 -18.348 -6.599 7.715 1.00 3.04 C ATOM 2595 CG GLU B 65 -17.737 -7.454 8.827 1.00 23.40 C ATOM 2596 CD GLU B 65 -18.730 -8.487 9.380 1.00 14.40 C ATOM 2597 OE1 GLU B 65 -19.553 -8.132 10.223 1.00 51.02 O ATOM 2598 OE2 GLU B 65 -18.713 -9.650 8.947 1.00 54.14 O ATOM 0 H GLU B 65 -17.184 -4.824 9.000 1.00 65.04 H new ATOM 0 HA GLU B 65 -16.520 -6.140 6.627 1.00 65.54 H new ATOM 0 HB2 GLU B 65 -19.189 -6.040 8.125 1.00 3.04 H new ATOM 0 HB3 GLU B 65 -18.749 -7.259 6.946 1.00 3.04 H new ATOM 0 HG2 GLU B 65 -16.856 -7.969 8.444 1.00 23.40 H new ATOM 0 HG3 GLU B 65 -17.401 -6.807 9.637 1.00 23.40 H new ATOM 2605 N GLN B 66 -18.679 -3.715 6.239 1.00 1.51 N ATOM 2606 CA GLN B 66 -19.406 -2.878 5.276 1.00 1.52 C ATOM 2607 C GLN B 66 -18.431 -2.170 4.314 1.00 42.22 C ATOM 2608 O GLN B 66 -18.778 -1.905 3.162 1.00 61.54 O ATOM 2609 CB GLN B 66 -20.286 -1.852 6.027 1.00 13.13 C ATOM 2610 CG GLN B 66 -21.305 -2.472 7.007 1.00 21.33 C ATOM 2611 CD GLN B 66 -22.233 -3.507 6.363 1.00 53.41 C ATOM 2612 OE1 GLN B 66 -21.953 -4.706 6.364 1.00 33.30 O ATOM 2613 NE2 GLN B 66 -23.336 -3.046 5.794 1.00 70.54 N ATOM 0 H GLN B 66 -18.661 -3.329 7.183 1.00 1.51 H new ATOM 0 HA GLN B 66 -20.053 -3.518 4.676 1.00 1.52 H new ATOM 0 HB2 GLN B 66 -19.637 -1.173 6.580 1.00 13.13 H new ATOM 0 HB3 GLN B 66 -20.826 -1.251 5.295 1.00 13.13 H new ATOM 0 HG2 GLN B 66 -20.765 -2.944 7.828 1.00 21.33 H new ATOM 0 HG3 GLN B 66 -21.910 -1.675 7.440 1.00 21.33 H new ATOM 0 HE21 GLN B 66 -23.539 -2.047 5.811 1.00 70.54 H new ATOM 0 HE22 GLN B 66 -23.983 -3.690 5.339 1.00 70.54 H new ATOM 2622 N MET B 67 -17.211 -1.869 4.806 1.00 44.55 N ATOM 2623 CA MET B 67 -16.117 -1.319 3.973 1.00 1.14 C ATOM 2624 C MET B 67 -15.577 -2.400 3.022 1.00 64.24 C ATOM 2625 O MET B 67 -15.289 -2.121 1.855 1.00 54.14 O ATOM 2626 CB MET B 67 -14.966 -0.751 4.849 1.00 2.40 C ATOM 2627 CG MET B 67 -15.337 0.495 5.665 1.00 43.35 C ATOM 2628 SD MET B 67 -16.643 0.192 6.871 1.00 75.33 S ATOM 2629 CE MET B 67 -16.931 1.845 7.489 1.00 61.10 C ATOM 0 H MET B 67 -16.956 -1.999 5.785 1.00 44.55 H new ATOM 0 HA MET B 67 -16.526 -0.498 3.385 1.00 1.14 H new ATOM 0 HB2 MET B 67 -14.630 -1.530 5.533 1.00 2.40 H new ATOM 0 HB3 MET B 67 -14.122 -0.508 4.203 1.00 2.40 H new ATOM 0 HG2 MET B 67 -14.450 0.859 6.183 1.00 43.35 H new ATOM 0 HG3 MET B 67 -15.656 1.285 4.985 1.00 43.35 H new ATOM 0 HE1 MET B 67 -16.896 1.837 8.578 1.00 61.10 H new ATOM 0 HE2 MET B 67 -16.162 2.516 7.106 1.00 61.10 H new ATOM 0 HE3 MET B 67 -17.911 2.191 7.160 1.00 61.10 H new ATOM 2639 N ILE B 68 -15.465 -3.633 3.553 1.00 63.03 N ATOM 2640 CA ILE B 68 -15.054 -4.832 2.795 1.00 11.13 C ATOM 2641 C ILE B 68 -16.071 -5.135 1.669 1.00 24.01 C ATOM 2642 O ILE B 68 -15.691 -5.436 0.530 1.00 12.45 O ATOM 2643 CB ILE B 68 -14.939 -6.070 3.762 1.00 2.40 C ATOM 2644 CG1 ILE B 68 -13.906 -5.785 4.891 1.00 53.34 C ATOM 2645 CG2 ILE B 68 -14.588 -7.378 3.008 1.00 42.04 C ATOM 2646 CD1 ILE B 68 -13.855 -6.845 5.972 1.00 52.02 C ATOM 0 H ILE B 68 -15.660 -3.827 4.535 1.00 63.03 H new ATOM 0 HA ILE B 68 -14.080 -4.640 2.344 1.00 11.13 H new ATOM 0 HB ILE B 68 -15.920 -6.220 4.212 1.00 2.40 H new ATOM 0 HG12 ILE B 68 -12.916 -5.689 4.446 1.00 53.34 H new ATOM 0 HG13 ILE B 68 -14.143 -4.825 5.350 1.00 53.34 H new ATOM 0 HG21 ILE B 68 -14.520 -8.201 3.719 1.00 42.04 H new ATOM 0 HG22 ILE B 68 -15.365 -7.595 2.275 1.00 42.04 H new ATOM 0 HG23 ILE B 68 -13.632 -7.259 2.499 1.00 42.04 H new ATOM 0 HD11 ILE B 68 -13.110 -6.568 6.718 1.00 52.02 H new ATOM 0 HD12 ILE B 68 -14.832 -6.927 6.448 1.00 52.02 H new ATOM 0 HD13 ILE B 68 -13.586 -7.804 5.529 1.00 52.02 H new ATOM 2658 N SER B 69 -17.367 -5.015 2.016 1.00 31.23 N ATOM 2659 CA SER B 69 -18.481 -5.258 1.094 1.00 23.02 C ATOM 2660 C SER B 69 -18.561 -4.152 0.029 1.00 54.45 C ATOM 2661 O SER B 69 -18.857 -4.434 -1.134 1.00 52.02 O ATOM 2662 CB SER B 69 -19.812 -5.365 1.878 1.00 11.11 C ATOM 2663 OG SER B 69 -20.891 -5.717 1.026 1.00 12.23 O ATOM 0 H SER B 69 -17.667 -4.744 2.953 1.00 31.23 H new ATOM 0 HA SER B 69 -18.305 -6.204 0.581 1.00 23.02 H new ATOM 0 HB2 SER B 69 -19.712 -6.111 2.667 1.00 11.11 H new ATOM 0 HB3 SER B 69 -20.027 -4.413 2.364 1.00 11.11 H new ATOM 0 HG SER B 69 -21.716 -5.778 1.551 1.00 12.23 H new ATOM 2669 N GLN B 70 -18.271 -2.897 0.443 1.00 53.30 N ATOM 2670 CA GLN B 70 -18.316 -1.718 -0.442 1.00 41.33 C ATOM 2671 C GLN B 70 -17.266 -1.866 -1.549 1.00 44.41 C ATOM 2672 O GLN B 70 -17.584 -1.774 -2.740 1.00 42.11 O ATOM 2673 CB GLN B 70 -18.070 -0.420 0.391 1.00 4.21 C ATOM 2674 CG GLN B 70 -18.441 0.931 -0.293 1.00 72.21 C ATOM 2675 CD GLN B 70 -17.555 1.387 -1.472 1.00 42.00 C ATOM 2676 OE1 GLN B 70 -18.030 2.023 -2.412 1.00 54.21 O ATOM 2677 NE2 GLN B 70 -16.259 1.107 -1.423 1.00 3.14 N ATOM 0 H GLN B 70 -17.999 -2.677 1.401 1.00 53.30 H new ATOM 0 HA GLN B 70 -19.300 -1.645 -0.905 1.00 41.33 H new ATOM 0 HB2 GLN B 70 -18.637 -0.499 1.319 1.00 4.21 H new ATOM 0 HB3 GLN B 70 -17.015 -0.385 0.663 1.00 4.21 H new ATOM 0 HG2 GLN B 70 -19.468 0.859 -0.650 1.00 72.21 H new ATOM 0 HG3 GLN B 70 -18.421 1.712 0.467 1.00 72.21 H new ATOM 0 HE21 GLN B 70 -15.881 0.579 -0.637 1.00 3.14 H new ATOM 0 HE22 GLN B 70 -15.641 1.420 -2.172 1.00 3.14 H new ATOM 2686 N ILE B 71 -16.009 -2.106 -1.125 1.00 11.50 N ATOM 2687 CA ILE B 71 -14.860 -2.171 -2.035 1.00 62.24 C ATOM 2688 C ILE B 71 -14.952 -3.389 -2.977 1.00 32.12 C ATOM 2689 O ILE B 71 -14.493 -3.329 -4.115 1.00 72.21 O ATOM 2690 CB ILE B 71 -13.495 -2.163 -1.252 1.00 24.32 C ATOM 2691 CG1 ILE B 71 -12.311 -1.943 -2.240 1.00 65.14 C ATOM 2692 CG2 ILE B 71 -13.302 -3.445 -0.406 1.00 24.25 C ATOM 2693 CD1 ILE B 71 -10.939 -2.016 -1.617 1.00 75.52 C ATOM 0 H ILE B 71 -15.768 -2.259 -0.146 1.00 11.50 H new ATOM 0 HA ILE B 71 -14.890 -1.272 -2.651 1.00 62.24 H new ATOM 0 HB ILE B 71 -13.516 -1.331 -0.548 1.00 24.32 H new ATOM 0 HG12 ILE B 71 -12.374 -2.690 -3.031 1.00 65.14 H new ATOM 0 HG13 ILE B 71 -12.428 -0.967 -2.712 1.00 65.14 H new ATOM 0 HG21 ILE B 71 -12.347 -3.396 0.117 1.00 24.25 H new ATOM 0 HG22 ILE B 71 -14.110 -3.526 0.321 1.00 24.25 H new ATOM 0 HG23 ILE B 71 -13.313 -4.317 -1.060 1.00 24.25 H new ATOM 0 HD11 ILE B 71 -10.182 -1.850 -2.384 1.00 75.52 H new ATOM 0 HD12 ILE B 71 -10.848 -1.251 -0.846 1.00 75.52 H new ATOM 0 HD13 ILE B 71 -10.794 -3.000 -1.171 1.00 75.52 H new ATOM 2705 N ASP B 72 -15.597 -4.471 -2.495 1.00 44.32 N ATOM 2706 CA ASP B 72 -15.827 -5.689 -3.284 1.00 61.33 C ATOM 2707 C ASP B 72 -16.674 -5.395 -4.542 1.00 33.03 C ATOM 2708 O ASP B 72 -16.520 -6.056 -5.570 1.00 13.23 O ATOM 2709 CB ASP B 72 -16.501 -6.778 -2.400 1.00 73.12 C ATOM 2710 CG ASP B 72 -16.885 -8.076 -3.156 1.00 61.43 C ATOM 2711 OD1 ASP B 72 -16.078 -8.572 -3.966 1.00 41.45 O ATOM 2712 OD2 ASP B 72 -17.996 -8.604 -2.948 1.00 44.35 O ATOM 0 H ASP B 72 -15.971 -4.521 -1.547 1.00 44.32 H new ATOM 0 HA ASP B 72 -14.861 -6.063 -3.624 1.00 61.33 H new ATOM 0 HB2 ASP B 72 -15.825 -7.035 -1.584 1.00 73.12 H new ATOM 0 HB3 ASP B 72 -17.399 -6.356 -1.949 1.00 73.12 H new ATOM 2717 N LYS B 73 -17.560 -4.381 -4.461 1.00 62.02 N ATOM 2718 CA LYS B 73 -18.451 -4.014 -5.579 1.00 12.10 C ATOM 2719 C LYS B 73 -17.682 -3.320 -6.730 1.00 21.32 C ATOM 2720 O LYS B 73 -18.211 -3.188 -7.838 1.00 70.41 O ATOM 2721 CB LYS B 73 -19.613 -3.106 -5.087 1.00 53.12 C ATOM 2722 CG LYS B 73 -20.460 -3.643 -3.897 1.00 25.54 C ATOM 2723 CD LYS B 73 -21.076 -5.071 -4.107 1.00 31.44 C ATOM 2724 CE LYS B 73 -20.224 -6.200 -3.496 1.00 1.05 C ATOM 2725 NZ LYS B 73 -20.800 -7.555 -3.702 1.00 35.12 N ATOM 0 H LYS B 73 -17.677 -3.801 -3.630 1.00 62.02 H new ATOM 0 HA LYS B 73 -18.869 -4.942 -5.970 1.00 12.10 H new ATOM 0 HB2 LYS B 73 -19.194 -2.142 -4.799 1.00 53.12 H new ATOM 0 HB3 LYS B 73 -20.283 -2.924 -5.927 1.00 53.12 H new ATOM 0 HG2 LYS B 73 -19.833 -3.663 -3.005 1.00 25.54 H new ATOM 0 HG3 LYS B 73 -21.270 -2.940 -3.702 1.00 25.54 H new ATOM 0 HD2 LYS B 73 -22.072 -5.098 -3.665 1.00 31.44 H new ATOM 0 HD3 LYS B 73 -21.196 -5.254 -5.175 1.00 31.44 H new ATOM 0 HE2 LYS B 73 -19.226 -6.168 -3.932 1.00 1.05 H new ATOM 0 HE3 LYS B 73 -20.110 -6.021 -2.427 1.00 1.05 H new ATOM 0 HZ1 LYS B 73 -20.071 -8.274 -3.518 1.00 35.12 H new ATOM 0 HZ2 LYS B 73 -21.598 -7.696 -3.050 1.00 35.12 H new ATOM 0 HZ3 LYS B 73 -21.135 -7.645 -4.683 1.00 35.12 H new ATOM 2739 N LEU B 74 -16.436 -2.883 -6.452 1.00 41.42 N ATOM 2740 CA LEU B 74 -15.555 -2.227 -7.442 1.00 65.05 C ATOM 2741 C LEU B 74 -15.009 -3.258 -8.455 1.00 53.40 C ATOM 2742 O LEU B 74 -14.725 -4.409 -8.106 1.00 61.35 O ATOM 2743 CB LEU B 74 -14.387 -1.470 -6.731 1.00 64.54 C ATOM 2744 CG LEU B 74 -14.708 -0.048 -6.154 1.00 61.30 C ATOM 2745 CD1 LEU B 74 -15.073 0.943 -7.278 1.00 44.40 C ATOM 2746 CD2 LEU B 74 -15.809 -0.097 -5.070 1.00 14.11 C ATOM 0 H LEU B 74 -16.010 -2.976 -5.530 1.00 41.42 H new ATOM 0 HA LEU B 74 -16.146 -1.494 -7.991 1.00 65.05 H new ATOM 0 HB2 LEU B 74 -14.027 -2.094 -5.913 1.00 64.54 H new ATOM 0 HB3 LEU B 74 -13.566 -1.370 -7.441 1.00 64.54 H new ATOM 0 HG LEU B 74 -13.800 0.313 -5.671 1.00 61.30 H new ATOM 0 HD11 LEU B 74 -15.290 1.920 -6.846 1.00 44.40 H new ATOM 0 HD12 LEU B 74 -14.237 1.031 -7.971 1.00 44.40 H new ATOM 0 HD13 LEU B 74 -15.951 0.580 -7.813 1.00 44.40 H new ATOM 0 HD21 LEU B 74 -15.999 0.910 -4.698 1.00 14.11 H new ATOM 0 HD22 LEU B 74 -16.724 -0.504 -5.499 1.00 14.11 H new ATOM 0 HD23 LEU B 74 -15.481 -0.732 -4.247 1.00 14.11 H new ATOM 2758 N GLU B 75 -14.836 -2.796 -9.706 1.00 2.43 N ATOM 2759 CA GLU B 75 -14.494 -3.650 -10.865 1.00 51.42 C ATOM 2760 C GLU B 75 -13.016 -4.075 -10.870 1.00 41.43 C ATOM 2761 O GLU B 75 -12.647 -5.049 -11.538 1.00 3.44 O ATOM 2762 CB GLU B 75 -14.838 -2.903 -12.175 1.00 14.15 C ATOM 2763 CG GLU B 75 -16.318 -2.487 -12.281 1.00 42.54 C ATOM 2764 CD GLU B 75 -16.636 -1.706 -13.566 1.00 75.44 C ATOM 2765 OE1 GLU B 75 -16.978 -2.331 -14.590 1.00 12.35 O ATOM 2766 OE2 GLU B 75 -16.538 -0.462 -13.558 1.00 61.42 O ATOM 0 H GLU B 75 -14.930 -1.809 -9.947 1.00 2.43 H new ATOM 0 HA GLU B 75 -15.085 -4.563 -10.787 1.00 51.42 H new ATOM 0 HB2 GLU B 75 -14.213 -2.013 -12.250 1.00 14.15 H new ATOM 0 HB3 GLU B 75 -14.587 -3.541 -13.023 1.00 14.15 H new ATOM 0 HG2 GLU B 75 -16.943 -3.379 -12.241 1.00 42.54 H new ATOM 0 HG3 GLU B 75 -16.580 -1.876 -11.417 1.00 42.54 H new ATOM 2773 N ASP B 76 -12.175 -3.317 -10.157 1.00 65.21 N ATOM 2774 CA ASP B 76 -10.751 -3.656 -9.982 1.00 33.00 C ATOM 2775 C ASP B 76 -10.589 -4.869 -9.081 1.00 64.42 C ATOM 2776 O ASP B 76 -9.777 -5.743 -9.387 1.00 21.13 O ATOM 2777 CB ASP B 76 -9.952 -2.457 -9.431 1.00 44.44 C ATOM 2778 CG ASP B 76 -10.585 -1.792 -8.193 1.00 53.40 C ATOM 2779 OD1 ASP B 76 -11.574 -1.054 -8.372 1.00 23.04 O ATOM 2780 OD2 ASP B 76 -10.105 -1.985 -7.057 1.00 61.41 O ATOM 0 H ASP B 76 -12.456 -2.457 -9.687 1.00 65.21 H new ATOM 0 HA ASP B 76 -10.348 -3.903 -10.964 1.00 33.00 H new ATOM 0 HB2 ASP B 76 -8.946 -2.791 -9.176 1.00 44.44 H new ATOM 0 HB3 ASP B 76 -9.850 -1.710 -10.218 1.00 44.44 H new ATOM 2785 N VAL B 77 -11.369 -4.910 -7.979 1.00 61.21 N ATOM 2786 CA VAL B 77 -11.362 -6.024 -7.024 1.00 52.35 C ATOM 2787 C VAL B 77 -11.799 -7.332 -7.714 1.00 54.43 C ATOM 2788 O VAL B 77 -12.991 -7.617 -7.860 1.00 40.22 O ATOM 2789 CB VAL B 77 -12.264 -5.702 -5.771 1.00 41.25 C ATOM 2790 CG1 VAL B 77 -12.425 -6.922 -4.832 1.00 32.21 C ATOM 2791 CG2 VAL B 77 -11.686 -4.503 -4.995 1.00 64.34 C ATOM 0 H VAL B 77 -12.021 -4.166 -7.732 1.00 61.21 H new ATOM 0 HA VAL B 77 -10.342 -6.161 -6.664 1.00 52.35 H new ATOM 0 HB VAL B 77 -13.257 -5.450 -6.143 1.00 41.25 H new ATOM 0 HG11 VAL B 77 -13.054 -6.649 -3.985 1.00 32.21 H new ATOM 0 HG12 VAL B 77 -12.889 -7.743 -5.379 1.00 32.21 H new ATOM 0 HG13 VAL B 77 -11.445 -7.234 -4.470 1.00 32.21 H new ATOM 0 HG21 VAL B 77 -12.317 -4.290 -4.132 1.00 64.34 H new ATOM 0 HG22 VAL B 77 -10.677 -4.740 -4.657 1.00 64.34 H new ATOM 0 HG23 VAL B 77 -11.654 -3.629 -5.646 1.00 64.34 H new ATOM 2801 N VAL B 78 -10.795 -8.075 -8.193 1.00 13.24 N ATOM 2802 CA VAL B 78 -10.975 -9.403 -8.797 1.00 14.22 C ATOM 2803 C VAL B 78 -11.361 -10.415 -7.697 1.00 71.12 C ATOM 2804 O VAL B 78 -12.209 -11.290 -7.912 1.00 44.02 O ATOM 2805 CB VAL B 78 -9.669 -9.887 -9.545 1.00 34.21 C ATOM 2806 CG1 VAL B 78 -9.948 -11.115 -10.442 1.00 41.21 C ATOM 2807 CG2 VAL B 78 -9.012 -8.748 -10.360 1.00 30.30 C ATOM 0 H VAL B 78 -9.822 -7.769 -8.173 1.00 13.24 H new ATOM 0 HA VAL B 78 -11.771 -9.337 -9.538 1.00 14.22 H new ATOM 0 HB VAL B 78 -8.961 -10.189 -8.773 1.00 34.21 H new ATOM 0 HG11 VAL B 78 -9.027 -11.419 -10.940 1.00 41.21 H new ATOM 0 HG12 VAL B 78 -10.317 -11.937 -9.829 1.00 41.21 H new ATOM 0 HG13 VAL B 78 -10.697 -10.856 -11.191 1.00 41.21 H new ATOM 0 HG21 VAL B 78 -8.118 -9.125 -10.857 1.00 30.30 H new ATOM 0 HG22 VAL B 78 -9.716 -8.382 -11.107 1.00 30.30 H new ATOM 0 HG23 VAL B 78 -8.738 -7.933 -9.690 1.00 30.30 H new ATOM 2817 N LYS B 79 -10.739 -10.260 -6.502 1.00 54.53 N ATOM 2818 CA LYS B 79 -11.013 -11.098 -5.316 1.00 13.35 C ATOM 2819 C LYS B 79 -10.952 -10.254 -4.038 1.00 33.03 C ATOM 2820 O LYS B 79 -10.149 -9.323 -3.936 1.00 1.10 O ATOM 2821 CB LYS B 79 -10.017 -12.288 -5.185 1.00 20.22 C ATOM 2822 CG LYS B 79 -10.214 -13.417 -6.216 1.00 11.02 C ATOM 2823 CD LYS B 79 -9.312 -14.646 -5.943 1.00 23.04 C ATOM 2824 CE LYS B 79 -9.529 -15.772 -6.963 1.00 33.33 C ATOM 2825 NZ LYS B 79 -8.651 -16.939 -6.704 1.00 44.40 N ATOM 0 H LYS B 79 -10.030 -9.545 -6.337 1.00 54.53 H new ATOM 0 HA LYS B 79 -12.014 -11.507 -5.450 1.00 13.35 H new ATOM 0 HB2 LYS B 79 -9.001 -11.904 -5.278 1.00 20.22 H new ATOM 0 HB3 LYS B 79 -10.108 -12.710 -4.184 1.00 20.22 H new ATOM 0 HG2 LYS B 79 -11.258 -13.730 -6.209 1.00 11.02 H new ATOM 0 HG3 LYS B 79 -10.003 -13.032 -7.214 1.00 11.02 H new ATOM 0 HD2 LYS B 79 -8.267 -14.337 -5.964 1.00 23.04 H new ATOM 0 HD3 LYS B 79 -9.513 -15.024 -4.941 1.00 23.04 H new ATOM 0 HE2 LYS B 79 -10.571 -16.090 -6.934 1.00 33.33 H new ATOM 0 HE3 LYS B 79 -9.339 -15.392 -7.967 1.00 33.33 H new ATOM 0 HZ1 LYS B 79 -8.832 -17.674 -7.417 1.00 44.40 H new ATOM 0 HZ2 LYS B 79 -7.655 -16.643 -6.757 1.00 44.40 H new ATOM 0 HZ3 LYS B 79 -8.849 -17.319 -5.756 1.00 44.40 H new ATOM 2839 N VAL B 80 -11.807 -10.611 -3.069 1.00 11.53 N ATOM 2840 CA VAL B 80 -11.762 -10.092 -1.693 1.00 1.22 C ATOM 2841 C VAL B 80 -11.703 -11.304 -0.743 1.00 14.13 C ATOM 2842 O VAL B 80 -12.491 -12.253 -0.894 1.00 65.44 O ATOM 2843 CB VAL B 80 -13.012 -9.185 -1.357 1.00 15.11 C ATOM 2844 CG1 VAL B 80 -14.351 -9.937 -1.521 1.00 40.44 C ATOM 2845 CG2 VAL B 80 -12.886 -8.572 0.058 1.00 25.25 C ATOM 0 H VAL B 80 -12.562 -11.280 -3.221 1.00 11.53 H new ATOM 0 HA VAL B 80 -10.884 -9.458 -1.574 1.00 1.22 H new ATOM 0 HB VAL B 80 -13.019 -8.373 -2.085 1.00 15.11 H new ATOM 0 HG11 VAL B 80 -15.176 -9.268 -1.278 1.00 40.44 H new ATOM 0 HG12 VAL B 80 -14.453 -10.279 -2.551 1.00 40.44 H new ATOM 0 HG13 VAL B 80 -14.370 -10.796 -0.850 1.00 40.44 H new ATOM 0 HG21 VAL B 80 -13.758 -7.952 0.265 1.00 25.25 H new ATOM 0 HG22 VAL B 80 -12.825 -9.371 0.797 1.00 25.25 H new ATOM 0 HG23 VAL B 80 -11.986 -7.960 0.111 1.00 25.25 H new ATOM 2855 N GLN B 81 -10.747 -11.315 0.201 1.00 72.04 N ATOM 2856 CA GLN B 81 -10.617 -12.424 1.183 1.00 14.22 C ATOM 2857 C GLN B 81 -10.293 -11.867 2.575 1.00 41.44 C ATOM 2858 O GLN B 81 -9.479 -10.950 2.715 1.00 22.24 O ATOM 2859 CB GLN B 81 -9.547 -13.466 0.738 1.00 22.42 C ATOM 2860 CG GLN B 81 -9.873 -14.207 -0.581 1.00 52.30 C ATOM 2861 CD GLN B 81 -8.798 -15.201 -1.030 1.00 21.14 C ATOM 2862 OE1 GLN B 81 -8.125 -15.837 -0.218 1.00 52.11 O ATOM 2863 NE2 GLN B 81 -8.621 -15.328 -2.334 1.00 65.11 N ATOM 0 H GLN B 81 -10.052 -10.576 0.311 1.00 72.04 H new ATOM 0 HA GLN B 81 -11.574 -12.944 1.228 1.00 14.22 H new ATOM 0 HB2 GLN B 81 -8.589 -12.957 0.626 1.00 22.42 H new ATOM 0 HB3 GLN B 81 -9.425 -14.203 1.532 1.00 22.42 H new ATOM 0 HG2 GLN B 81 -10.816 -14.740 -0.461 1.00 52.30 H new ATOM 0 HG3 GLN B 81 -10.022 -13.470 -1.370 1.00 52.30 H new ATOM 0 HE21 GLN B 81 -9.194 -14.787 -2.982 1.00 65.11 H new ATOM 0 HE22 GLN B 81 -7.911 -15.967 -2.692 1.00 65.11 H new ATOM 2872 N ARG B 82 -10.951 -12.444 3.595 1.00 15.35 N ATOM 2873 CA ARG B 82 -10.842 -12.023 4.997 1.00 13.41 C ATOM 2874 C ARG B 82 -10.106 -13.112 5.787 1.00 52.40 C ATOM 2875 O ARG B 82 -10.685 -14.144 6.149 1.00 32.20 O ATOM 2876 CB ARG B 82 -12.257 -11.768 5.566 1.00 2.31 C ATOM 2877 CG ARG B 82 -13.030 -10.639 4.847 1.00 65.44 C ATOM 2878 CD ARG B 82 -14.505 -10.582 5.260 1.00 63.43 C ATOM 2879 NE ARG B 82 -14.683 -10.476 6.717 1.00 61.04 N ATOM 2880 CZ ARG B 82 -15.862 -10.400 7.346 1.00 32.30 C ATOM 2881 NH1 ARG B 82 -17.009 -10.406 6.664 1.00 62.03 N ATOM 2882 NH2 ARG B 82 -15.893 -10.348 8.672 1.00 31.04 N ATOM 0 H ARG B 82 -11.585 -13.232 3.462 1.00 15.35 H new ATOM 0 HA ARG B 82 -10.274 -11.096 5.077 1.00 13.41 H new ATOM 0 HB2 ARG B 82 -12.835 -12.689 5.500 1.00 2.31 H new ATOM 0 HB3 ARG B 82 -12.173 -11.520 6.624 1.00 2.31 H new ATOM 0 HG2 ARG B 82 -12.557 -9.682 5.067 1.00 65.44 H new ATOM 0 HG3 ARG B 82 -12.963 -10.787 3.769 1.00 65.44 H new ATOM 0 HD2 ARG B 82 -14.981 -9.728 4.777 1.00 63.43 H new ATOM 0 HD3 ARG B 82 -15.014 -11.476 4.900 1.00 63.43 H new ATOM 0 HE ARG B 82 -13.841 -10.459 7.293 1.00 61.04 H new ATOM 0 HH11 ARG B 82 -16.997 -10.469 5.646 1.00 62.03 H new ATOM 0 HH12 ARG B 82 -17.898 -10.347 7.161 1.00 62.03 H new ATOM 0 HH21 ARG B 82 -15.023 -10.366 9.204 1.00 31.04 H new ATOM 0 HH22 ARG B 82 -16.787 -10.290 9.159 1.00 31.04 H new ATOM 2896 N ASN B 83 -8.813 -12.879 6.002 1.00 31.14 N ATOM 2897 CA ASN B 83 -7.888 -13.829 6.645 1.00 54.40 C ATOM 2898 C ASN B 83 -7.425 -13.284 8.000 1.00 14.51 C ATOM 2899 O ASN B 83 -7.505 -12.083 8.247 1.00 21.31 O ATOM 2900 CB ASN B 83 -6.676 -14.115 5.711 1.00 0.42 C ATOM 2901 CG ASN B 83 -7.064 -14.859 4.432 1.00 41.03 C ATOM 2902 OD1 ASN B 83 -8.060 -15.587 4.393 1.00 62.22 O ATOM 2903 ND2 ASN B 83 -6.264 -14.726 3.397 1.00 35.11 N ATOM 0 H ASN B 83 -8.362 -12.006 5.730 1.00 31.14 H new ATOM 0 HA ASN B 83 -8.410 -14.770 6.820 1.00 54.40 H new ATOM 0 HB2 ASN B 83 -6.200 -13.171 5.445 1.00 0.42 H new ATOM 0 HB3 ASN B 83 -5.937 -14.702 6.255 1.00 0.42 H new ATOM 0 HD21 ASN B 83 -6.460 -15.232 2.533 1.00 35.11 H new ATOM 0 HD22 ASN B 83 -5.448 -14.117 3.458 1.00 35.11 H new ATOM 2910 N GLN B 84 -7.001 -14.190 8.895 1.00 64.35 N ATOM 2911 CA GLN B 84 -6.495 -13.831 10.238 1.00 64.35 C ATOM 2912 C GLN B 84 -4.988 -13.534 10.161 1.00 64.53 C ATOM 2913 O GLN B 84 -4.254 -14.222 9.441 1.00 41.44 O ATOM 2914 CB GLN B 84 -6.768 -14.991 11.230 1.00 40.22 C ATOM 2915 CG GLN B 84 -8.261 -15.334 11.384 1.00 52.22 C ATOM 2916 CD GLN B 84 -8.535 -16.503 12.335 1.00 74.12 C ATOM 2917 OE1 GLN B 84 -7.728 -17.426 12.464 1.00 54.21 O ATOM 2918 NE2 GLN B 84 -9.679 -16.479 13.003 1.00 1.51 N ATOM 0 H GLN B 84 -6.998 -15.193 8.712 1.00 64.35 H new ATOM 0 HA GLN B 84 -7.011 -12.939 10.594 1.00 64.35 H new ATOM 0 HB2 GLN B 84 -6.233 -15.879 10.893 1.00 40.22 H new ATOM 0 HB3 GLN B 84 -6.362 -14.726 12.206 1.00 40.22 H new ATOM 0 HG2 GLN B 84 -8.791 -14.453 11.746 1.00 52.22 H new ATOM 0 HG3 GLN B 84 -8.672 -15.573 10.403 1.00 52.22 H new ATOM 0 HE21 GLN B 84 -10.328 -15.702 12.876 1.00 1.51 H new ATOM 0 HE22 GLN B 84 -9.911 -17.237 13.644 1.00 1.51 H new ATOM 2927 N SER B 85 -4.536 -12.509 10.906 1.00 24.52 N ATOM 2928 CA SER B 85 -3.147 -12.014 10.829 1.00 30.34 C ATOM 2929 C SER B 85 -2.195 -12.837 11.692 1.00 62.34 C ATOM 2930 O SER B 85 -2.584 -13.354 12.742 1.00 54.44 O ATOM 2931 CB SER B 85 -3.086 -10.522 11.197 1.00 31.43 C ATOM 2932 OG SER B 85 -1.761 -10.007 11.154 1.00 40.12 O ATOM 0 H SER B 85 -5.117 -12.003 11.574 1.00 24.52 H new ATOM 0 HA SER B 85 -2.813 -12.129 9.798 1.00 30.34 H new ATOM 0 HB2 SER B 85 -3.716 -9.955 10.511 1.00 31.43 H new ATOM 0 HB3 SER B 85 -3.496 -10.380 12.197 1.00 31.43 H new ATOM 0 HG SER B 85 -1.772 -9.108 10.763 1.00 40.12 H new ATOM 2938 N ASP B 86 -0.937 -12.925 11.225 1.00 35.10 N ATOM 2939 CA ASP B 86 0.131 -13.704 11.861 1.00 42.44 C ATOM 2940 C ASP B 86 1.460 -12.922 11.727 1.00 70.25 C ATOM 2941 O ASP B 86 1.675 -12.278 10.696 1.00 24.42 O ATOM 2942 CB ASP B 86 0.227 -15.104 11.180 1.00 63.34 C ATOM 2943 CG ASP B 86 1.101 -16.117 11.956 1.00 24.34 C ATOM 2944 OD1 ASP B 86 2.349 -16.089 11.829 1.00 32.21 O ATOM 2945 OD2 ASP B 86 0.537 -16.951 12.702 1.00 72.22 O ATOM 0 H ASP B 86 -0.632 -12.446 10.378 1.00 35.10 H new ATOM 0 HA ASP B 86 -0.081 -13.857 12.919 1.00 42.44 H new ATOM 0 HB2 ASP B 86 -0.777 -15.514 11.070 1.00 63.34 H new ATOM 0 HB3 ASP B 86 0.633 -14.982 10.176 1.00 63.34 H new ATOM 2950 N PRO B 87 2.351 -12.926 12.769 1.00 62.34 N ATOM 2951 CA PRO B 87 3.685 -12.253 12.721 1.00 45.54 C ATOM 2952 C PRO B 87 4.545 -12.568 11.472 1.00 60.53 C ATOM 2953 O PRO B 87 5.278 -11.695 10.983 1.00 0.24 O ATOM 2954 CB PRO B 87 4.378 -12.766 14.001 1.00 62.42 C ATOM 2955 CG PRO B 87 3.247 -12.990 14.958 1.00 12.11 C ATOM 2956 CD PRO B 87 2.107 -13.518 14.117 1.00 14.02 C ATOM 0 HA PRO B 87 3.562 -11.172 12.661 1.00 45.54 H new ATOM 0 HB2 PRO B 87 4.932 -13.686 13.814 1.00 62.42 H new ATOM 0 HB3 PRO B 87 5.091 -12.038 14.388 1.00 62.42 H new ATOM 0 HG2 PRO B 87 3.525 -13.703 15.735 1.00 12.11 H new ATOM 0 HG3 PRO B 87 2.968 -12.064 15.460 1.00 12.11 H new ATOM 0 HD2 PRO B 87 2.108 -14.607 14.081 1.00 14.02 H new ATOM 0 HD3 PRO B 87 1.140 -13.213 14.518 1.00 14.02 H new ATOM 2964 N THR B 88 4.458 -13.810 10.959 1.00 61.43 N ATOM 2965 CA THR B 88 5.297 -14.261 9.827 1.00 3.22 C ATOM 2966 C THR B 88 4.690 -13.897 8.452 1.00 11.53 C ATOM 2967 O THR B 88 5.312 -14.200 7.427 1.00 64.51 O ATOM 2968 CB THR B 88 5.554 -15.808 9.879 1.00 61.10 C ATOM 2969 OG1 THR B 88 4.323 -16.527 9.665 1.00 14.32 O ATOM 2970 CG2 THR B 88 6.173 -16.244 11.224 1.00 24.21 C ATOM 0 H THR B 88 3.816 -14.521 11.309 1.00 61.43 H new ATOM 0 HA THR B 88 6.243 -13.731 9.935 1.00 3.22 H new ATOM 0 HB THR B 88 6.263 -16.043 9.086 1.00 61.10 H new ATOM 0 HG1 THR B 88 3.714 -16.363 10.415 1.00 14.32 H new ATOM 0 HG21 THR B 88 6.335 -17.322 11.218 1.00 24.21 H new ATOM 0 HG22 THR B 88 7.126 -15.735 11.368 1.00 24.21 H new ATOM 0 HG23 THR B 88 5.496 -15.983 12.038 1.00 24.21 H new ATOM 2978 N MET B 89 3.500 -13.231 8.447 1.00 50.12 N ATOM 2979 CA MET B 89 2.716 -12.950 7.221 1.00 52.43 C ATOM 2980 C MET B 89 3.559 -12.277 6.117 1.00 3.31 C ATOM 2981 O MET B 89 3.815 -12.922 5.102 1.00 2.43 O ATOM 2982 CB MET B 89 1.481 -12.065 7.543 1.00 74.20 C ATOM 2983 CG MET B 89 0.556 -11.744 6.340 1.00 51.04 C ATOM 2984 SD MET B 89 -0.592 -13.085 5.900 1.00 24.13 S ATOM 2985 CE MET B 89 0.396 -14.174 4.870 1.00 22.41 C ATOM 0 H MET B 89 3.062 -12.876 9.297 1.00 50.12 H new ATOM 0 HA MET B 89 2.384 -13.917 6.843 1.00 52.43 H new ATOM 0 HB2 MET B 89 0.889 -12.563 8.311 1.00 74.20 H new ATOM 0 HB3 MET B 89 1.831 -11.125 7.970 1.00 74.20 H new ATOM 0 HG2 MET B 89 -0.021 -10.848 6.569 1.00 51.04 H new ATOM 0 HG3 MET B 89 1.174 -11.512 5.473 1.00 51.04 H new ATOM 0 HE1 MET B 89 -0.219 -14.566 4.060 1.00 22.41 H new ATOM 0 HE2 MET B 89 1.235 -13.617 4.452 1.00 22.41 H new ATOM 0 HE3 MET B 89 0.773 -15.001 5.472 1.00 22.41 H new ATOM 2995 N PHE B 90 4.021 -11.012 6.362 1.00 33.41 N ATOM 2996 CA PHE B 90 4.789 -10.202 5.373 1.00 4.03 C ATOM 2997 C PHE B 90 5.962 -10.982 4.762 1.00 2.13 C ATOM 2998 O PHE B 90 6.173 -10.950 3.545 1.00 43.45 O ATOM 2999 CB PHE B 90 5.348 -8.900 6.012 1.00 12.25 C ATOM 3000 CG PHE B 90 4.310 -7.819 6.298 1.00 13.14 C ATOM 3001 CD1 PHE B 90 3.660 -7.164 5.249 1.00 2.02 C ATOM 3002 CD2 PHE B 90 4.012 -7.427 7.605 1.00 22.13 C ATOM 3003 CE1 PHE B 90 2.751 -6.157 5.496 1.00 13.20 C ATOM 3004 CE2 PHE B 90 3.097 -6.422 7.847 1.00 2.34 C ATOM 3005 CZ PHE B 90 2.469 -5.789 6.792 1.00 51.21 C ATOM 0 H PHE B 90 3.870 -10.531 7.248 1.00 33.41 H new ATOM 0 HA PHE B 90 4.079 -9.953 4.584 1.00 4.03 H new ATOM 0 HB2 PHE B 90 5.847 -9.158 6.946 1.00 12.25 H new ATOM 0 HB3 PHE B 90 6.107 -8.486 5.349 1.00 12.25 H new ATOM 0 HD1 PHE B 90 3.873 -7.451 4.230 1.00 2.02 H new ATOM 0 HD2 PHE B 90 4.502 -7.915 8.434 1.00 22.13 H new ATOM 0 HE1 PHE B 90 2.261 -5.658 4.673 1.00 13.20 H new ATOM 0 HE2 PHE B 90 2.872 -6.130 8.862 1.00 2.34 H new ATOM 0 HZ PHE B 90 1.754 -5.003 6.985 1.00 51.21 H new ATOM 3015 N ASN B 91 6.686 -11.699 5.639 1.00 41.14 N ATOM 3016 CA ASN B 91 7.864 -12.481 5.270 1.00 53.13 C ATOM 3017 C ASN B 91 7.467 -13.640 4.334 1.00 25.12 C ATOM 3018 O ASN B 91 8.084 -13.835 3.294 1.00 32.13 O ATOM 3019 CB ASN B 91 8.545 -13.019 6.551 1.00 53.31 C ATOM 3020 CG ASN B 91 9.870 -13.732 6.277 1.00 52.40 C ATOM 3021 OD1 ASN B 91 9.906 -14.930 6.009 1.00 45.11 O ATOM 3022 ND2 ASN B 91 10.965 -12.999 6.339 1.00 51.04 N ATOM 0 H ASN B 91 6.462 -11.748 6.633 1.00 41.14 H new ATOM 0 HA ASN B 91 8.568 -11.844 4.735 1.00 53.13 H new ATOM 0 HB2 ASN B 91 8.721 -12.190 7.236 1.00 53.31 H new ATOM 0 HB3 ASN B 91 7.866 -13.708 7.053 1.00 53.31 H new ATOM 0 HD21 ASN B 91 11.875 -13.425 6.162 1.00 51.04 H new ATOM 0 HD22 ASN B 91 10.902 -12.006 6.564 1.00 51.04 H new ATOM 3029 N LYS B 92 6.373 -14.336 4.705 1.00 3.21 N ATOM 3030 CA LYS B 92 5.887 -15.545 4.019 1.00 30.23 C ATOM 3031 C LYS B 92 5.619 -15.319 2.509 1.00 40.12 C ATOM 3032 O LYS B 92 6.217 -16.007 1.664 1.00 55.35 O ATOM 3033 CB LYS B 92 4.607 -16.069 4.730 1.00 22.12 C ATOM 3034 CG LYS B 92 3.986 -17.311 4.068 1.00 63.43 C ATOM 3035 CD LYS B 92 2.738 -17.836 4.802 1.00 12.24 C ATOM 3036 CE LYS B 92 2.079 -19.016 4.069 1.00 32.22 C ATOM 3037 NZ LYS B 92 3.034 -20.135 3.815 1.00 62.34 N ATOM 0 H LYS B 92 5.796 -14.068 5.502 1.00 3.21 H new ATOM 0 HA LYS B 92 6.678 -16.293 4.080 1.00 30.23 H new ATOM 0 HB2 LYS B 92 4.851 -16.306 5.766 1.00 22.12 H new ATOM 0 HB3 LYS B 92 3.864 -15.272 4.752 1.00 22.12 H new ATOM 0 HG2 LYS B 92 3.719 -17.070 3.039 1.00 63.43 H new ATOM 0 HG3 LYS B 92 4.734 -18.103 4.026 1.00 63.43 H new ATOM 0 HD2 LYS B 92 3.016 -18.147 5.809 1.00 12.24 H new ATOM 0 HD3 LYS B 92 2.015 -17.027 4.907 1.00 12.24 H new ATOM 0 HE2 LYS B 92 1.241 -19.385 4.660 1.00 32.22 H new ATOM 0 HE3 LYS B 92 1.671 -18.668 3.120 1.00 32.22 H new ATOM 0 HZ1 LYS B 92 2.521 -20.945 3.412 1.00 62.34 H new ATOM 0 HZ2 LYS B 92 3.766 -19.821 3.146 1.00 62.34 H new ATOM 0 HZ3 LYS B 92 3.481 -20.420 4.710 1.00 62.34 H new ATOM 3051 N ILE B 93 4.746 -14.345 2.169 1.00 44.10 N ATOM 3052 CA ILE B 93 4.349 -14.102 0.768 1.00 61.55 C ATOM 3053 C ILE B 93 5.460 -13.388 -0.016 1.00 52.24 C ATOM 3054 O ILE B 93 5.481 -13.444 -1.242 1.00 62.02 O ATOM 3055 CB ILE B 93 2.976 -13.350 0.599 1.00 14.24 C ATOM 3056 CG1 ILE B 93 3.006 -11.873 1.120 1.00 1.43 C ATOM 3057 CG2 ILE B 93 1.832 -14.153 1.271 1.00 33.14 C ATOM 3058 CD1 ILE B 93 2.697 -11.665 2.586 1.00 12.11 C ATOM 0 H ILE B 93 4.306 -13.718 2.843 1.00 44.10 H new ATOM 0 HA ILE B 93 4.195 -15.095 0.345 1.00 61.55 H new ATOM 0 HB ILE B 93 2.788 -13.286 -0.473 1.00 14.24 H new ATOM 0 HG12 ILE B 93 3.995 -11.461 0.919 1.00 1.43 H new ATOM 0 HG13 ILE B 93 2.293 -11.291 0.536 1.00 1.43 H new ATOM 0 HG21 ILE B 93 0.890 -13.619 1.145 1.00 33.14 H new ATOM 0 HG22 ILE B 93 1.757 -15.137 0.807 1.00 33.14 H new ATOM 0 HG23 ILE B 93 2.044 -14.268 2.334 1.00 33.14 H new ATOM 0 HD11 ILE B 93 2.750 -10.602 2.822 1.00 12.11 H new ATOM 0 HD12 ILE B 93 1.695 -12.035 2.803 1.00 12.11 H new ATOM 0 HD13 ILE B 93 3.423 -12.207 3.191 1.00 12.11 H new ATOM 3070 N ALA B 94 6.339 -12.668 0.701 1.00 53.40 N ATOM 3071 CA ALA B 94 7.545 -12.053 0.114 1.00 55.40 C ATOM 3072 C ALA B 94 8.551 -13.127 -0.357 1.00 21.51 C ATOM 3073 O ALA B 94 9.268 -12.932 -1.344 1.00 61.12 O ATOM 3074 CB ALA B 94 8.198 -11.121 1.128 1.00 52.34 C ATOM 0 H ALA B 94 6.236 -12.495 1.701 1.00 53.40 H new ATOM 0 HA ALA B 94 7.243 -11.476 -0.760 1.00 55.40 H new ATOM 0 HB1 ALA B 94 9.088 -10.671 0.688 1.00 52.34 H new ATOM 0 HB2 ALA B 94 7.494 -10.337 1.407 1.00 52.34 H new ATOM 0 HB3 ALA B 94 8.480 -11.688 2.015 1.00 52.34 H new ATOM 3080 N VAL B 95 8.611 -14.245 0.390 1.00 45.25 N ATOM 3081 CA VAL B 95 9.432 -15.422 0.032 1.00 42.52 C ATOM 3082 C VAL B 95 8.735 -16.261 -1.061 1.00 23.44 C ATOM 3083 O VAL B 95 9.393 -16.931 -1.863 1.00 43.33 O ATOM 3084 CB VAL B 95 9.743 -16.306 1.307 1.00 32.22 C ATOM 3085 CG1 VAL B 95 10.516 -17.599 0.962 1.00 32.44 C ATOM 3086 CG2 VAL B 95 10.521 -15.484 2.363 1.00 73.41 C ATOM 0 H VAL B 95 8.092 -14.360 1.260 1.00 45.25 H new ATOM 0 HA VAL B 95 10.381 -15.063 -0.366 1.00 42.52 H new ATOM 0 HB VAL B 95 8.781 -16.608 1.721 1.00 32.22 H new ATOM 0 HG11 VAL B 95 10.702 -18.166 1.874 1.00 32.44 H new ATOM 0 HG12 VAL B 95 9.926 -18.203 0.273 1.00 32.44 H new ATOM 0 HG13 VAL B 95 11.467 -17.341 0.495 1.00 32.44 H new ATOM 0 HG21 VAL B 95 10.725 -16.109 3.232 1.00 73.41 H new ATOM 0 HG22 VAL B 95 11.462 -15.139 1.935 1.00 73.41 H new ATOM 0 HG23 VAL B 95 9.924 -14.624 2.667 1.00 73.41 H new ATOM 3096 N PHE B 96 7.402 -16.206 -1.091 1.00 60.53 N ATOM 3097 CA PHE B 96 6.590 -16.969 -2.048 1.00 0.52 C ATOM 3098 C PHE B 96 6.539 -16.256 -3.418 1.00 11.13 C ATOM 3099 O PHE B 96 6.567 -16.924 -4.452 1.00 31.14 O ATOM 3100 CB PHE B 96 5.172 -17.170 -1.459 1.00 42.54 C ATOM 3101 CG PHE B 96 4.248 -18.102 -2.245 1.00 11.53 C ATOM 3102 CD1 PHE B 96 4.726 -19.303 -2.775 1.00 40.44 C ATOM 3103 CD2 PHE B 96 2.896 -17.793 -2.432 1.00 31.32 C ATOM 3104 CE1 PHE B 96 3.892 -20.156 -3.466 1.00 21.12 C ATOM 3105 CE2 PHE B 96 2.064 -18.655 -3.127 1.00 63.21 C ATOM 3106 CZ PHE B 96 2.564 -19.833 -3.644 1.00 24.23 C ATOM 0 H PHE B 96 6.852 -15.631 -0.453 1.00 60.53 H new ATOM 0 HA PHE B 96 7.044 -17.946 -2.215 1.00 0.52 H new ATOM 0 HB2 PHE B 96 5.272 -17.559 -0.446 1.00 42.54 H new ATOM 0 HB3 PHE B 96 4.691 -16.195 -1.380 1.00 42.54 H new ATOM 0 HD1 PHE B 96 5.765 -19.567 -2.641 1.00 40.44 H new ATOM 0 HD2 PHE B 96 2.497 -16.873 -2.030 1.00 31.32 H new ATOM 0 HE1 PHE B 96 4.280 -21.080 -3.869 1.00 21.12 H new ATOM 0 HE2 PHE B 96 1.022 -18.405 -3.265 1.00 63.21 H new ATOM 0 HZ PHE B 96 1.914 -20.502 -4.188 1.00 24.23 H new ATOM 3116 N PHE B 97 6.491 -14.895 -3.377 1.00 31.31 N ATOM 3117 CA PHE B 97 6.431 -13.970 -4.554 1.00 21.45 C ATOM 3118 C PHE B 97 5.621 -14.500 -5.768 1.00 72.24 C ATOM 3119 O PHE B 97 6.076 -14.432 -6.918 1.00 31.02 O ATOM 3120 CB PHE B 97 7.864 -13.462 -4.962 1.00 14.23 C ATOM 3121 CG PHE B 97 8.948 -14.538 -5.101 1.00 11.41 C ATOM 3122 CD1 PHE B 97 8.928 -15.459 -6.153 1.00 62.14 C ATOM 3123 CD2 PHE B 97 9.979 -14.636 -4.167 1.00 1.35 C ATOM 3124 CE1 PHE B 97 9.897 -16.435 -6.264 1.00 54.01 C ATOM 3125 CE2 PHE B 97 10.949 -15.616 -4.281 1.00 72.51 C ATOM 3126 CZ PHE B 97 10.905 -16.514 -5.327 1.00 61.02 C ATOM 0 H PHE B 97 6.493 -14.389 -2.491 1.00 31.31 H new ATOM 0 HA PHE B 97 5.853 -13.112 -4.210 1.00 21.45 H new ATOM 0 HB2 PHE B 97 7.783 -12.933 -5.911 1.00 14.23 H new ATOM 0 HB3 PHE B 97 8.195 -12.736 -4.219 1.00 14.23 H new ATOM 0 HD1 PHE B 97 8.141 -15.406 -6.891 1.00 62.14 H new ATOM 0 HD2 PHE B 97 10.021 -13.938 -3.344 1.00 1.35 H new ATOM 0 HE1 PHE B 97 9.866 -17.137 -7.084 1.00 54.01 H new ATOM 0 HE2 PHE B 97 11.742 -15.678 -3.550 1.00 72.51 H new ATOM 0 HZ PHE B 97 11.661 -17.280 -5.412 1.00 61.02 H new ATOM 3136 N GLN B 98 4.408 -15.008 -5.491 1.00 62.30 N ATOM 3137 CA GLN B 98 3.500 -15.543 -6.528 1.00 61.43 C ATOM 3138 C GLN B 98 2.665 -14.397 -7.144 1.00 44.21 C ATOM 3139 O GLN B 98 2.817 -14.116 -8.350 1.00 12.33 O ATOM 3140 CB GLN B 98 2.579 -16.645 -5.927 1.00 33.04 C ATOM 3141 CG GLN B 98 1.672 -17.389 -6.942 1.00 51.43 C ATOM 3142 CD GLN B 98 2.454 -18.173 -7.991 1.00 2.41 C ATOM 3143 OE1 GLN B 98 2.778 -19.344 -7.796 1.00 31.32 O ATOM 3144 NE2 GLN B 98 2.758 -17.538 -9.115 1.00 71.44 N ATOM 3145 OXT GLN B 98 1.882 -13.779 -6.396 1.00 37.26 O ATOM 0 H GLN B 98 4.027 -15.061 -4.546 1.00 62.30 H new ATOM 0 HA GLN B 98 4.095 -15.997 -7.320 1.00 61.43 H new ATOM 0 HB2 GLN B 98 3.205 -17.380 -5.420 1.00 33.04 H new ATOM 0 HB3 GLN B 98 1.945 -16.188 -5.167 1.00 33.04 H new ATOM 0 HG2 GLN B 98 1.018 -18.073 -6.401 1.00 51.43 H new ATOM 0 HG3 GLN B 98 1.030 -16.665 -7.444 1.00 51.43 H new ATOM 0 HE21 GLN B 98 2.474 -16.567 -9.245 1.00 71.44 H new ATOM 0 HE22 GLN B 98 3.275 -18.021 -9.850 1.00 71.44 H new TER 3154 GLN B 98