USER MOD reduce.3.24.130724 H: found=0, std=0, add=1214, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1212 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: A 24 CYS SG : rot -121:sc= -3.97! USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0.162 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: A 133 SER OG : rot 180:sc= -0.77 USER MOD Set 3.1: A 93 TYR OH : rot 180:sc= -0.943! USER MOD Set 3.2: A 131 ASN :FLIP amide:sc= -0.0117 F(o=-2.7!,f=-0.95) USER MOD Set 4.1: A 104 LYS NZ :NH3+ 179:sc= 1.18 (180deg=0) USER MOD Set 4.2: A 105 SER OG : rot 79:sc= 2.15 USER MOD Set 5.1: A 92 THR OG1 : rot 122:sc= -1.24 USER MOD Set 5.2: A 95 ASN : amide:sc= -1.4 K(o=-2.6,f=-5!) USER MOD Set 5.3: A 98 LYS NZ :NH3+ 178:sc= 0.041 (180deg=0) USER MOD Set 6.1: A 79 TYR OH : rot -128:sc= 1.23 USER MOD Set 6.2: A 106 HIS : no HD1:sc= -0.783! C(o=1.2!,f=-7.9!) USER MOD Set 6.3: A 110 ASN :FLIP amide:sc= 0.733 F(o=-2.6!,f=1.2) USER MOD Set 7.1: A 72 LYS NZ :NH3+ -178:sc= 0.424 (180deg=0.269) USER MOD Set 7.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 65 SER OG : rot 23:sc= 0.0676! USER MOD Set 8.2: A 85 LYS NZ :NH3+ -172:sc= 0.736 (180deg=-0.695) USER MOD Set 9.1: A 38 CYS SG : rot -120:sc= 0.104 USER MOD Set 9.2: A 63 LYS NZ :NH3+ 180:sc= -0.574! (180deg=-1.48!) USER MOD Single : A 1 GLU N :NH3+ -155:sc= -0.142 (180deg=-0.942) USER MOD Single : A 3 SER OG : rot 39:sc= 0.0088 USER MOD Single : A 4 SER OG : rot 42:sc= 0.515 USER MOD Single : A 6 ASN : amide:sc= -0.0531 K(o=-0.053,f=-1.3!) USER MOD Single : A 12 SER OG : rot -120:sc= 0.116 USER MOD Single : A 15 THR OG1 : rot -110:sc= -1.68! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 61:sc= 1 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 32 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.65) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.0972 USER MOD Single : A 35 SER OG : rot 134:sc= 1.28 USER MOD Single : A 40 MET CE :methyl -119:sc= -0.725 (180deg=-1.08) USER MOD Single : A 49 LYS NZ :NH3+ -138:sc= 0.373 (180deg=0.00889) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.0307 (180deg=0.00504) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.112 (180deg=-0.557) USER MOD Single : A 56 GLN : amide:sc= -0.643 X(o=-0.64,f=-0.51) USER MOD Single : A 60 ASN : amide:sc= 1.16 K(o=1.2,f=-0.029) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 130:sc=-0.00684 USER MOD Single : A 83 THR OG1 : rot -160:sc= -0.0115 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 0.828 (180deg=0.663) USER MOD Single : A 88 SER OG : rot -46:sc= 0.297 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -3.12 F(o=-3.7!,f=-3.1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0995 K(o=-0.099,f=-1.3) USER MOD Single : A 99 SER OG : rot 3:sc= 1.04 USER MOD Single : A 103 MET CE :methyl 146:sc= -2.2! (180deg=-3.42!) USER MOD Single : A 107 CYS SG : rot -66:sc= -7.03! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 52:sc= 0.601 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -160:sc= -0.155 (180deg=-0.686) USER MOD Single : A 122 CYS SG : rot 3:sc= 0.359 USER MOD Single : A 128 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.4) USER MOD Single : A 135 MET CE :methyl -163:sc= -0.949 (180deg=-1.51) USER MOD Single : A 143 THR OG1 : rot -12:sc= 0.982 USER MOD Single : A 146 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.22) USER MOD Single : A 148 THR OG1 : rot -120:sc= -2.22! USER MOD Single : A 151 THR OG1 : rot 43:sc= 0.0745 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -24.571 -6.476 10.160 1.00 34.04 N ATOM 2 CA GLU A 1 -24.258 -5.695 8.991 1.00 2.13 C ATOM 3 C GLU A 1 -22.771 -5.792 8.655 1.00 34.12 C ATOM 4 O GLU A 1 -21.923 -5.144 9.279 1.00 13.51 O ATOM 5 CB GLU A 1 -24.692 -4.248 9.221 1.00 31.40 C ATOM 6 CG GLU A 1 -26.175 -4.125 9.553 1.00 32.31 C ATOM 7 CD GLU A 1 -26.608 -2.717 9.872 1.00 41.03 C ATOM 8 OE1 GLU A 1 -26.483 -2.301 11.042 1.00 32.34 O ATOM 9 OE2 GLU A 1 -27.106 -2.002 8.955 1.00 40.34 O ATOM 0 H1 GLU A 1 -25.574 -6.750 10.136 1.00 34.04 H new ATOM 0 H2 GLU A 1 -23.979 -7.331 10.175 1.00 34.04 H new ATOM 0 H3 GLU A 1 -24.386 -5.912 11.014 1.00 34.04 H new ATOM 0 HA GLU A 1 -24.803 -6.089 8.134 1.00 2.13 H new ATOM 0 HB2 GLU A 1 -24.105 -3.822 10.035 1.00 31.40 H new ATOM 0 HB3 GLU A 1 -24.474 -3.661 8.329 1.00 31.40 H new ATOM 0 HG2 GLU A 1 -26.759 -4.493 8.710 1.00 32.31 H new ATOM 0 HG3 GLU A 1 -26.403 -4.768 10.403 1.00 32.31 H new ATOM 16 N ALA A 2 -22.477 -6.659 7.721 1.00 51.13 N ATOM 17 CA ALA A 2 -21.132 -6.921 7.248 1.00 3.15 C ATOM 18 C ALA A 2 -21.241 -7.551 5.873 1.00 4.44 C ATOM 19 O ALA A 2 -20.352 -8.284 5.427 1.00 35.22 O ATOM 20 CB ALA A 2 -20.434 -7.882 8.209 1.00 21.45 C ATOM 0 H ALA A 2 -23.185 -7.222 7.251 1.00 51.13 H new ATOM 0 HA ALA A 2 -20.553 -5.999 7.196 1.00 3.15 H new ATOM 0 HB1 ALA A 2 -19.422 -8.080 7.855 1.00 21.45 H new ATOM 0 HB2 ALA A 2 -20.390 -7.435 9.202 1.00 21.45 H new ATOM 0 HB3 ALA A 2 -20.991 -8.818 8.257 1.00 21.45 H new ATOM 26 N SER A 3 -22.332 -7.223 5.195 1.00 2.51 N ATOM 27 CA SER A 3 -22.675 -7.773 3.902 1.00 41.14 C ATOM 28 C SER A 3 -21.548 -7.604 2.872 1.00 52.15 C ATOM 29 O SER A 3 -21.045 -6.492 2.639 1.00 71.21 O ATOM 30 CB SER A 3 -23.985 -7.143 3.436 1.00 51.51 C ATOM 31 OG SER A 3 -23.935 -5.726 3.571 1.00 3.45 O ATOM 0 H SER A 3 -23.016 -6.550 5.542 1.00 2.51 H new ATOM 0 HA SER A 3 -22.809 -8.850 4.000 1.00 41.14 H new ATOM 0 HB2 SER A 3 -24.173 -7.408 2.396 1.00 51.51 H new ATOM 0 HB3 SER A 3 -24.814 -7.541 4.021 1.00 51.51 H new ATOM 0 HG SER A 3 -23.042 -5.405 3.327 1.00 3.45 H new ATOM 37 N SER A 4 -21.138 -8.706 2.292 1.00 43.14 N ATOM 38 CA SER A 4 -20.073 -8.703 1.338 1.00 24.01 C ATOM 39 C SER A 4 -20.607 -8.584 -0.083 1.00 73.44 C ATOM 40 O SER A 4 -21.090 -9.567 -0.667 1.00 15.54 O ATOM 41 CB SER A 4 -19.245 -9.970 1.505 1.00 64.31 C ATOM 42 OG SER A 4 -20.084 -11.113 1.418 1.00 61.24 O ATOM 0 H SER A 4 -21.538 -9.627 2.473 1.00 43.14 H new ATOM 0 HA SER A 4 -19.439 -7.835 1.518 1.00 24.01 H new ATOM 0 HB2 SER A 4 -18.474 -10.015 0.735 1.00 64.31 H new ATOM 0 HB3 SER A 4 -18.734 -9.956 2.468 1.00 64.31 H new ATOM 0 HG SER A 4 -20.733 -10.988 0.694 1.00 61.24 H new ATOM 48 N LEU A 5 -20.591 -7.389 -0.599 1.00 44.40 N ATOM 49 CA LEU A 5 -20.979 -7.144 -1.961 1.00 20.24 C ATOM 50 C LEU A 5 -19.855 -6.478 -2.683 1.00 32.51 C ATOM 51 O LEU A 5 -19.156 -7.111 -3.477 1.00 33.31 O ATOM 52 CB LEU A 5 -22.281 -6.296 -2.108 1.00 74.42 C ATOM 53 CG LEU A 5 -23.625 -6.917 -1.666 1.00 71.25 C ATOM 54 CD1 LEU A 5 -23.704 -7.116 -0.166 1.00 12.42 C ATOM 55 CD2 LEU A 5 -24.789 -6.068 -2.156 1.00 53.55 C ATOM 0 H LEU A 5 -20.308 -6.554 -0.087 1.00 44.40 H new ATOM 0 HA LEU A 5 -21.203 -8.116 -2.400 1.00 20.24 H new ATOM 0 HB2 LEU A 5 -22.141 -5.375 -1.543 1.00 74.42 H new ATOM 0 HB3 LEU A 5 -22.376 -6.015 -3.157 1.00 74.42 H new ATOM 0 HG LEU A 5 -23.688 -7.905 -2.122 1.00 71.25 H new ATOM 0 HD11 LEU A 5 -24.668 -7.555 0.093 1.00 12.42 H new ATOM 0 HD12 LEU A 5 -22.904 -7.783 0.155 1.00 12.42 H new ATOM 0 HD13 LEU A 5 -23.597 -6.154 0.335 1.00 12.42 H new ATOM 0 HD21 LEU A 5 -25.728 -6.519 -1.836 1.00 53.55 H new ATOM 0 HD22 LEU A 5 -24.708 -5.064 -1.739 1.00 53.55 H new ATOM 0 HD23 LEU A 5 -24.765 -6.012 -3.244 1.00 53.55 H new ATOM 67 N ASN A 6 -19.648 -5.223 -2.343 1.00 33.53 N ATOM 68 CA ASN A 6 -18.659 -4.349 -2.978 1.00 20.23 C ATOM 69 C ASN A 6 -18.885 -4.371 -4.481 1.00 31.23 C ATOM 70 O ASN A 6 -18.192 -5.061 -5.239 1.00 54.23 O ATOM 71 CB ASN A 6 -17.204 -4.718 -2.577 1.00 11.53 C ATOM 72 CG ASN A 6 -16.152 -3.750 -3.110 1.00 4.42 C ATOM 73 OD1 ASN A 6 -15.844 -2.740 -2.470 1.00 30.12 O ATOM 74 ND2 ASN A 6 -15.572 -4.058 -4.244 1.00 24.01 N ATOM 0 H ASN A 6 -20.172 -4.762 -1.599 1.00 33.53 H new ATOM 0 HA ASN A 6 -18.794 -3.328 -2.621 1.00 20.23 H new ATOM 0 HB2 ASN A 6 -17.135 -4.752 -1.490 1.00 11.53 H new ATOM 0 HB3 ASN A 6 -16.980 -5.720 -2.942 1.00 11.53 H new ATOM 0 HD21 ASN A 6 -14.842 -3.455 -4.623 1.00 24.01 H new ATOM 0 HD22 ASN A 6 -15.851 -4.900 -4.747 1.00 24.01 H new ATOM 81 N GLU A 7 -19.913 -3.673 -4.888 1.00 2.21 N ATOM 82 CA GLU A 7 -20.379 -3.723 -6.249 1.00 71.35 C ATOM 83 C GLU A 7 -19.582 -2.888 -7.192 1.00 44.32 C ATOM 84 O GLU A 7 -18.687 -2.139 -6.788 1.00 1.42 O ATOM 85 CB GLU A 7 -21.833 -3.318 -6.340 1.00 50.12 C ATOM 86 CG GLU A 7 -22.770 -4.235 -5.629 1.00 25.22 C ATOM 87 CD GLU A 7 -22.704 -5.646 -6.140 1.00 44.20 C ATOM 88 OE1 GLU A 7 -23.313 -5.929 -7.190 1.00 61.41 O ATOM 89 OE2 GLU A 7 -22.056 -6.494 -5.513 1.00 40.51 O ATOM 0 H GLU A 7 -20.452 -3.053 -4.284 1.00 2.21 H new ATOM 0 HA GLU A 7 -20.255 -4.762 -6.553 1.00 71.35 H new ATOM 0 HB2 GLU A 7 -21.945 -2.314 -5.931 1.00 50.12 H new ATOM 0 HB3 GLU A 7 -22.119 -3.268 -7.391 1.00 50.12 H new ATOM 0 HG2 GLU A 7 -22.539 -4.228 -4.564 1.00 25.22 H new ATOM 0 HG3 GLU A 7 -23.788 -3.862 -5.737 1.00 25.22 H new ATOM 96 N ASP A 8 -19.965 -3.012 -8.448 1.00 74.54 N ATOM 97 CA ASP A 8 -19.385 -2.331 -9.587 1.00 25.41 C ATOM 98 C ASP A 8 -17.902 -2.639 -9.812 1.00 43.53 C ATOM 99 O ASP A 8 -17.061 -2.424 -8.932 1.00 30.14 O ATOM 100 CB ASP A 8 -19.641 -0.833 -9.553 1.00 54.41 C ATOM 101 CG ASP A 8 -21.109 -0.479 -9.596 1.00 10.43 C ATOM 102 OD1 ASP A 8 -21.745 -0.673 -10.648 1.00 23.40 O ATOM 103 OD2 ASP A 8 -21.665 -0.023 -8.571 1.00 1.15 O ATOM 0 H ASP A 8 -20.734 -3.627 -8.715 1.00 74.54 H new ATOM 0 HA ASP A 8 -19.907 -2.741 -10.452 1.00 25.41 H new ATOM 0 HB2 ASP A 8 -19.200 -0.416 -8.648 1.00 54.41 H new ATOM 0 HB3 ASP A 8 -19.136 -0.365 -10.398 1.00 54.41 H new ATOM 108 N PRO A 9 -17.554 -3.134 -11.009 1.00 31.44 N ATOM 109 CA PRO A 9 -16.167 -3.462 -11.358 1.00 51.34 C ATOM 110 C PRO A 9 -15.297 -2.204 -11.430 1.00 33.00 C ATOM 111 O PRO A 9 -15.816 -1.072 -11.376 1.00 21.24 O ATOM 112 CB PRO A 9 -16.290 -4.108 -12.741 1.00 74.23 C ATOM 113 CG PRO A 9 -17.563 -3.579 -13.296 1.00 71.02 C ATOM 114 CD PRO A 9 -18.480 -3.403 -12.126 1.00 42.34 C ATOM 0 HA PRO A 9 -15.693 -4.108 -10.619 1.00 51.34 H new ATOM 0 HB2 PRO A 9 -15.443 -3.847 -13.376 1.00 74.23 H new ATOM 0 HB3 PRO A 9 -16.312 -5.195 -12.669 1.00 74.23 H new ATOM 0 HG2 PRO A 9 -17.401 -2.632 -13.811 1.00 71.02 H new ATOM 0 HG3 PRO A 9 -17.988 -4.269 -14.025 1.00 71.02 H new ATOM 0 HD2 PRO A 9 -19.175 -2.578 -12.280 1.00 42.34 H new ATOM 0 HD3 PRO A 9 -19.079 -4.296 -11.946 1.00 42.34 H new ATOM 122 N GLU A 10 -14.000 -2.379 -11.559 1.00 51.11 N ATOM 123 CA GLU A 10 -13.104 -1.240 -11.581 1.00 70.05 C ATOM 124 C GLU A 10 -13.164 -0.510 -12.920 1.00 51.54 C ATOM 125 O GLU A 10 -13.513 0.664 -12.972 1.00 34.10 O ATOM 126 CB GLU A 10 -11.639 -1.591 -11.122 1.00 10.45 C ATOM 127 CG GLU A 10 -10.812 -2.510 -12.025 1.00 2.43 C ATOM 128 CD GLU A 10 -11.461 -3.825 -12.294 1.00 15.20 C ATOM 129 OE1 GLU A 10 -11.363 -4.738 -11.468 1.00 65.01 O ATOM 130 OE2 GLU A 10 -12.083 -3.962 -13.354 1.00 73.45 O ATOM 0 H GLU A 10 -13.545 -3.287 -11.649 1.00 51.11 H new ATOM 0 HA GLU A 10 -13.464 -0.540 -10.827 1.00 70.05 H new ATOM 0 HB2 GLU A 10 -11.091 -0.656 -11.003 1.00 10.45 H new ATOM 0 HB3 GLU A 10 -11.698 -2.053 -10.137 1.00 10.45 H new ATOM 0 HG2 GLU A 10 -10.628 -2.004 -12.973 1.00 2.43 H new ATOM 0 HG3 GLU A 10 -9.840 -2.682 -11.562 1.00 2.43 H new ATOM 137 N GLY A 11 -12.863 -1.225 -13.987 1.00 61.01 N ATOM 138 CA GLY A 11 -12.905 -0.671 -15.355 1.00 35.12 C ATOM 139 C GLY A 11 -12.102 0.616 -15.506 1.00 42.02 C ATOM 140 O GLY A 11 -12.446 1.491 -16.318 1.00 43.32 O ATOM 0 H GLY A 11 -12.582 -2.205 -13.946 1.00 61.01 H new ATOM 0 HA2 GLY A 11 -12.522 -1.415 -16.053 1.00 35.12 H new ATOM 0 HA3 GLY A 11 -13.942 -0.479 -15.631 1.00 35.12 H new ATOM 144 N SER A 12 -11.052 0.727 -14.732 1.00 3.45 N ATOM 145 CA SER A 12 -10.220 1.885 -14.675 1.00 73.05 C ATOM 146 C SER A 12 -8.982 1.487 -13.897 1.00 42.44 C ATOM 147 O SER A 12 -8.985 0.424 -13.263 1.00 40.24 O ATOM 148 CB SER A 12 -10.991 2.977 -13.903 1.00 2.42 C ATOM 149 OG SER A 12 -10.303 4.228 -13.866 1.00 22.14 O ATOM 0 H SER A 12 -10.749 -0.018 -14.105 1.00 3.45 H new ATOM 0 HA SER A 12 -9.950 2.257 -15.663 1.00 73.05 H new ATOM 0 HB2 SER A 12 -11.968 3.120 -14.366 1.00 2.42 H new ATOM 0 HB3 SER A 12 -11.168 2.636 -12.883 1.00 2.42 H new ATOM 0 HG SER A 12 -10.128 4.478 -12.935 1.00 22.14 H new ATOM 155 N ARG A 13 -7.931 2.291 -13.958 1.00 44.24 N ATOM 156 CA ARG A 13 -6.766 2.052 -13.127 1.00 53.23 C ATOM 157 C ARG A 13 -7.139 2.313 -11.693 1.00 4.33 C ATOM 158 O ARG A 13 -7.174 1.402 -10.883 1.00 44.41 O ATOM 159 CB ARG A 13 -5.579 2.939 -13.536 1.00 52.45 C ATOM 160 CG ARG A 13 -4.930 2.563 -14.850 1.00 54.22 C ATOM 161 CD ARG A 13 -4.137 1.265 -14.736 1.00 44.34 C ATOM 162 NE ARG A 13 -3.584 0.853 -16.030 1.00 74.13 N ATOM 163 CZ ARG A 13 -2.712 -0.143 -16.218 1.00 53.34 C ATOM 164 NH1 ARG A 13 -2.282 -0.864 -15.186 1.00 74.04 N ATOM 165 NH2 ARG A 13 -2.273 -0.421 -17.437 1.00 23.31 N ATOM 0 H ARG A 13 -7.863 3.106 -14.568 1.00 44.24 H new ATOM 0 HA ARG A 13 -6.451 1.017 -13.256 1.00 53.23 H new ATOM 0 HB2 ARG A 13 -5.920 3.972 -13.598 1.00 52.45 H new ATOM 0 HB3 ARG A 13 -4.825 2.898 -12.750 1.00 52.45 H new ATOM 0 HG2 ARG A 13 -5.697 2.455 -15.617 1.00 54.22 H new ATOM 0 HG3 ARG A 13 -4.268 3.367 -15.172 1.00 54.22 H new ATOM 0 HD2 ARG A 13 -3.327 1.395 -14.019 1.00 44.34 H new ATOM 0 HD3 ARG A 13 -4.782 0.477 -14.348 1.00 44.34 H new ATOM 0 HE ARG A 13 -3.890 1.369 -16.855 1.00 74.13 H new ATOM 0 HH11 ARG A 13 -2.618 -0.658 -14.245 1.00 74.04 H new ATOM 0 HH12 ARG A 13 -1.617 -1.623 -15.336 1.00 74.04 H new ATOM 0 HH21 ARG A 13 -2.600 0.125 -18.234 1.00 23.31 H new ATOM 0 HH22 ARG A 13 -1.608 -1.181 -17.578 1.00 23.31 H new ATOM 179 N ILE A 14 -7.463 3.548 -11.397 1.00 61.04 N ATOM 180 CA ILE A 14 -7.831 3.915 -10.061 1.00 33.25 C ATOM 181 C ILE A 14 -9.325 3.858 -9.904 1.00 61.12 C ATOM 182 O ILE A 14 -10.079 4.396 -10.722 1.00 71.41 O ATOM 183 CB ILE A 14 -7.319 5.322 -9.676 1.00 23.40 C ATOM 184 CG1 ILE A 14 -5.795 5.378 -9.781 1.00 72.53 C ATOM 185 CG2 ILE A 14 -7.774 5.702 -8.261 1.00 70.44 C ATOM 186 CD1 ILE A 14 -5.208 6.722 -9.451 1.00 71.13 C ATOM 0 H ILE A 14 -7.478 4.315 -12.069 1.00 61.04 H new ATOM 0 HA ILE A 14 -7.359 3.199 -9.388 1.00 33.25 H new ATOM 0 HB ILE A 14 -7.745 6.044 -10.373 1.00 23.40 H new ATOM 0 HG12 ILE A 14 -5.367 4.632 -9.111 1.00 72.53 H new ATOM 0 HG13 ILE A 14 -5.501 5.103 -10.794 1.00 72.53 H new ATOM 0 HG21 ILE A 14 -7.401 6.696 -8.014 1.00 70.44 H new ATOM 0 HG22 ILE A 14 -8.863 5.701 -8.217 1.00 70.44 H new ATOM 0 HG23 ILE A 14 -7.381 4.979 -7.546 1.00 70.44 H new ATOM 0 HD11 ILE A 14 -4.123 6.679 -9.549 1.00 71.13 H new ATOM 0 HD12 ILE A 14 -5.605 7.471 -10.137 1.00 71.13 H new ATOM 0 HD13 ILE A 14 -5.470 6.992 -8.428 1.00 71.13 H new ATOM 198 N THR A 15 -9.736 3.176 -8.892 1.00 32.31 N ATOM 199 CA THR A 15 -11.110 3.063 -8.532 1.00 20.12 C ATOM 200 C THR A 15 -11.244 3.470 -7.073 1.00 50.31 C ATOM 201 O THR A 15 -10.509 2.970 -6.217 1.00 61.25 O ATOM 202 CB THR A 15 -11.583 1.619 -8.730 1.00 52.42 C ATOM 203 OG1 THR A 15 -11.310 1.246 -10.080 1.00 41.35 O ATOM 204 CG2 THR A 15 -13.079 1.488 -8.471 1.00 35.44 C ATOM 0 H THR A 15 -9.107 2.665 -8.272 1.00 32.31 H new ATOM 0 HA THR A 15 -11.725 3.709 -9.158 1.00 20.12 H new ATOM 0 HB THR A 15 -11.059 0.972 -8.026 1.00 52.42 H new ATOM 0 HG1 THR A 15 -12.153 1.162 -10.573 1.00 41.35 H new ATOM 0 HG21 THR A 15 -13.385 0.452 -8.619 1.00 35.44 H new ATOM 0 HG22 THR A 15 -13.298 1.788 -7.446 1.00 35.44 H new ATOM 0 HG23 THR A 15 -13.625 2.130 -9.162 1.00 35.44 H new ATOM 212 N TYR A 16 -12.137 4.387 -6.803 1.00 44.11 N ATOM 213 CA TYR A 16 -12.331 4.900 -5.462 1.00 10.22 C ATOM 214 C TYR A 16 -13.472 4.160 -4.802 1.00 42.24 C ATOM 215 O TYR A 16 -14.550 4.020 -5.394 1.00 0.34 O ATOM 216 CB TYR A 16 -12.640 6.401 -5.507 1.00 52.02 C ATOM 217 CG TYR A 16 -11.593 7.218 -6.231 1.00 10.42 C ATOM 218 CD1 TYR A 16 -10.456 7.670 -5.578 1.00 50.34 C ATOM 219 CD2 TYR A 16 -11.744 7.533 -7.578 1.00 21.42 C ATOM 220 CE1 TYR A 16 -9.500 8.407 -6.243 1.00 12.25 C ATOM 221 CE2 TYR A 16 -10.796 8.270 -8.248 1.00 24.15 C ATOM 222 CZ TYR A 16 -9.676 8.706 -7.579 1.00 14.54 C ATOM 223 OH TYR A 16 -8.721 9.437 -8.249 1.00 24.30 O ATOM 0 H TYR A 16 -12.752 4.802 -7.503 1.00 44.11 H new ATOM 0 HA TYR A 16 -11.418 4.750 -4.886 1.00 10.22 H new ATOM 0 HB2 TYR A 16 -13.604 6.550 -5.994 1.00 52.02 H new ATOM 0 HB3 TYR A 16 -12.737 6.773 -4.487 1.00 52.02 H new ATOM 0 HD1 TYR A 16 -10.318 7.441 -4.532 1.00 50.34 H new ATOM 0 HD2 TYR A 16 -12.622 7.192 -8.107 1.00 21.42 H new ATOM 0 HE1 TYR A 16 -8.618 8.749 -5.722 1.00 12.25 H new ATOM 0 HE2 TYR A 16 -10.930 8.505 -9.294 1.00 24.15 H new ATOM 0 HH TYR A 16 -8.997 9.559 -9.181 1.00 24.30 H new ATOM 233 N VAL A 17 -13.238 3.667 -3.612 1.00 73.42 N ATOM 234 CA VAL A 17 -14.238 2.921 -2.860 1.00 51.11 C ATOM 235 C VAL A 17 -14.174 3.347 -1.399 1.00 54.01 C ATOM 236 O VAL A 17 -13.098 3.551 -0.868 1.00 13.34 O ATOM 237 CB VAL A 17 -13.971 1.370 -2.925 1.00 61.45 C ATOM 238 CG1 VAL A 17 -15.033 0.583 -2.172 1.00 14.31 C ATOM 239 CG2 VAL A 17 -13.874 0.871 -4.356 1.00 21.43 C ATOM 0 H VAL A 17 -12.346 3.768 -3.127 1.00 73.42 H new ATOM 0 HA VAL A 17 -15.214 3.131 -3.297 1.00 51.11 H new ATOM 0 HB VAL A 17 -13.009 1.204 -2.439 1.00 61.45 H new ATOM 0 HG11 VAL A 17 -14.813 -0.482 -2.241 1.00 14.31 H new ATOM 0 HG12 VAL A 17 -15.037 0.886 -1.125 1.00 14.31 H new ATOM 0 HG13 VAL A 17 -16.011 0.781 -2.610 1.00 14.31 H new ATOM 0 HG21 VAL A 17 -13.689 -0.203 -4.355 1.00 21.43 H new ATOM 0 HG22 VAL A 17 -14.808 1.078 -4.878 1.00 21.43 H new ATOM 0 HG23 VAL A 17 -13.054 1.379 -4.864 1.00 21.43 H new ATOM 249 N LYS A 18 -15.303 3.494 -0.762 1.00 34.31 N ATOM 250 CA LYS A 18 -15.314 3.777 0.645 1.00 2.54 C ATOM 251 C LYS A 18 -15.349 2.436 1.399 1.00 33.31 C ATOM 252 O LYS A 18 -16.332 1.677 1.307 1.00 51.33 O ATOM 253 CB LYS A 18 -16.515 4.685 1.016 1.00 61.44 C ATOM 254 CG LYS A 18 -17.888 4.145 0.630 1.00 1.34 C ATOM 255 CD LYS A 18 -19.000 5.089 1.044 1.00 14.32 C ATOM 256 CE LYS A 18 -20.363 4.517 0.685 1.00 25.22 C ATOM 257 NZ LYS A 18 -21.472 5.409 1.086 1.00 72.25 N ATOM 0 H LYS A 18 -16.224 3.423 -1.194 1.00 34.31 H new ATOM 0 HA LYS A 18 -14.417 4.326 0.930 1.00 2.54 H new ATOM 0 HB2 LYS A 18 -16.500 4.856 2.092 1.00 61.44 H new ATOM 0 HB3 LYS A 18 -16.377 5.654 0.537 1.00 61.44 H new ATOM 0 HG2 LYS A 18 -17.927 3.988 -0.448 1.00 1.34 H new ATOM 0 HG3 LYS A 18 -18.042 3.174 1.100 1.00 1.34 H new ATOM 0 HD2 LYS A 18 -18.948 5.268 2.118 1.00 14.32 H new ATOM 0 HD3 LYS A 18 -18.865 6.053 0.553 1.00 14.32 H new ATOM 0 HE2 LYS A 18 -20.410 4.344 -0.390 1.00 25.22 H new ATOM 0 HE3 LYS A 18 -20.486 3.548 1.169 1.00 25.22 H new ATOM 0 HZ1 LYS A 18 -22.379 4.976 0.820 1.00 72.25 H new ATOM 0 HZ2 LYS A 18 -21.446 5.554 2.116 1.00 72.25 H new ATOM 0 HZ3 LYS A 18 -21.372 6.325 0.605 1.00 72.25 H new ATOM 271 N GLY A 19 -14.292 2.118 2.106 1.00 43.33 N ATOM 272 CA GLY A 19 -14.242 0.832 2.751 1.00 55.31 C ATOM 273 C GLY A 19 -13.256 0.762 3.878 1.00 24.12 C ATOM 274 O GLY A 19 -12.649 1.775 4.252 1.00 65.23 O ATOM 0 H GLY A 19 -13.476 2.714 2.247 1.00 43.33 H new ATOM 0 HA2 GLY A 19 -15.234 0.587 3.132 1.00 55.31 H new ATOM 0 HA3 GLY A 19 -13.989 0.073 2.010 1.00 55.31 H new ATOM 278 N ASP A 20 -13.079 -0.440 4.395 1.00 40.02 N ATOM 279 CA ASP A 20 -12.235 -0.701 5.558 1.00 71.30 C ATOM 280 C ASP A 20 -10.768 -0.762 5.199 1.00 65.33 C ATOM 281 O ASP A 20 -9.911 -0.307 5.962 1.00 44.21 O ATOM 282 CB ASP A 20 -12.671 -2.001 6.241 1.00 11.34 C ATOM 283 CG ASP A 20 -11.898 -2.306 7.503 1.00 52.05 C ATOM 284 OD1 ASP A 20 -10.819 -2.907 7.422 1.00 21.33 O ATOM 285 OD2 ASP A 20 -12.389 -1.963 8.610 1.00 35.24 O ATOM 0 H ASP A 20 -13.522 -1.278 4.017 1.00 40.02 H new ATOM 0 HA ASP A 20 -12.362 0.133 6.248 1.00 71.30 H new ATOM 0 HB2 ASP A 20 -13.733 -1.938 6.481 1.00 11.34 H new ATOM 0 HB3 ASP A 20 -12.550 -2.828 5.541 1.00 11.34 H new ATOM 290 N LEU A 21 -10.494 -1.321 4.048 1.00 1.53 N ATOM 291 CA LEU A 21 -9.137 -1.487 3.521 1.00 22.24 C ATOM 292 C LEU A 21 -8.289 -2.579 4.239 1.00 50.31 C ATOM 293 O LEU A 21 -7.547 -3.351 3.583 1.00 0.54 O ATOM 294 CB LEU A 21 -8.437 -0.126 3.335 1.00 23.32 C ATOM 295 CG LEU A 21 -6.969 -0.138 2.956 1.00 65.41 C ATOM 296 CD1 LEU A 21 -6.656 1.100 2.187 1.00 30.12 C ATOM 297 CD2 LEU A 21 -6.138 -0.147 4.212 1.00 22.23 C ATOM 0 H LEU A 21 -11.216 -1.686 3.427 1.00 1.53 H new ATOM 0 HA LEU A 21 -9.240 -1.909 2.521 1.00 22.24 H new ATOM 0 HB2 LEU A 21 -8.978 0.428 2.567 1.00 23.32 H new ATOM 0 HB3 LEU A 21 -8.540 0.434 4.264 1.00 23.32 H new ATOM 0 HG LEU A 21 -6.750 -1.020 2.354 1.00 65.41 H new ATOM 0 HD11 LEU A 21 -5.602 1.100 1.910 1.00 30.12 H new ATOM 0 HD12 LEU A 21 -7.268 1.133 1.285 1.00 30.12 H new ATOM 0 HD13 LEU A 21 -6.869 1.974 2.802 1.00 30.12 H new ATOM 0 HD21 LEU A 21 -5.080 -0.156 3.948 1.00 22.23 H new ATOM 0 HD22 LEU A 21 -6.358 0.744 4.800 1.00 22.23 H new ATOM 0 HD23 LEU A 21 -6.373 -1.036 4.798 1.00 22.23 H new ATOM 309 N PHE A 22 -8.413 -2.679 5.542 1.00 21.42 N ATOM 310 CA PHE A 22 -7.690 -3.685 6.303 1.00 43.45 C ATOM 311 C PHE A 22 -8.331 -5.045 6.114 1.00 65.14 C ATOM 312 O PHE A 22 -7.645 -6.043 5.945 1.00 63.41 O ATOM 313 CB PHE A 22 -7.617 -3.318 7.798 1.00 44.52 C ATOM 314 CG PHE A 22 -6.795 -2.088 8.082 1.00 53.55 C ATOM 315 CD1 PHE A 22 -7.290 -0.827 7.817 1.00 3.22 C ATOM 316 CD2 PHE A 22 -5.512 -2.202 8.590 1.00 5.14 C ATOM 317 CE1 PHE A 22 -6.530 0.287 8.051 1.00 31.13 C ATOM 318 CE2 PHE A 22 -4.750 -1.090 8.819 1.00 54.55 C ATOM 319 CZ PHE A 22 -5.258 0.153 8.549 1.00 62.31 C ATOM 0 H PHE A 22 -9.011 -2.074 6.105 1.00 21.42 H new ATOM 0 HA PHE A 22 -6.668 -3.723 5.926 1.00 43.45 H new ATOM 0 HB2 PHE A 22 -8.628 -3.163 8.174 1.00 44.52 H new ATOM 0 HB3 PHE A 22 -7.197 -4.160 8.349 1.00 44.52 H new ATOM 0 HD1 PHE A 22 -8.289 -0.718 7.420 1.00 3.22 H new ATOM 0 HD2 PHE A 22 -5.109 -3.180 8.808 1.00 5.14 H new ATOM 0 HE1 PHE A 22 -6.930 1.269 7.844 1.00 31.13 H new ATOM 0 HE2 PHE A 22 -3.749 -1.192 9.212 1.00 54.55 H new ATOM 0 HZ PHE A 22 -4.655 1.031 8.729 1.00 62.31 H new ATOM 329 N ALA A 23 -9.642 -5.064 6.082 1.00 61.45 N ATOM 330 CA ALA A 23 -10.400 -6.301 5.932 1.00 32.14 C ATOM 331 C ALA A 23 -10.639 -6.672 4.452 1.00 40.10 C ATOM 332 O ALA A 23 -11.467 -7.533 4.145 1.00 43.43 O ATOM 333 CB ALA A 23 -11.721 -6.177 6.666 1.00 43.31 C ATOM 0 H ALA A 23 -10.221 -4.228 6.158 1.00 61.45 H new ATOM 0 HA ALA A 23 -9.808 -7.107 6.366 1.00 32.14 H new ATOM 0 HB1 ALA A 23 -12.288 -7.101 6.554 1.00 43.31 H new ATOM 0 HB2 ALA A 23 -11.534 -5.992 7.724 1.00 43.31 H new ATOM 0 HB3 ALA A 23 -12.293 -5.348 6.249 1.00 43.31 H new ATOM 339 N CYS A 24 -9.901 -6.046 3.548 1.00 55.34 N ATOM 340 CA CYS A 24 -10.012 -6.345 2.116 1.00 15.41 C ATOM 341 C CYS A 24 -9.482 -7.761 1.777 1.00 62.21 C ATOM 342 O CYS A 24 -8.755 -8.370 2.591 1.00 75.13 O ATOM 343 CB CYS A 24 -9.293 -5.279 1.291 1.00 60.50 C ATOM 344 SG CYS A 24 -10.033 -3.648 1.417 1.00 14.45 S ATOM 0 H CYS A 24 -9.216 -5.325 3.775 1.00 55.34 H new ATOM 0 HA CYS A 24 -11.071 -6.330 1.857 1.00 15.41 H new ATOM 0 HB2 CYS A 24 -8.253 -5.222 1.614 1.00 60.50 H new ATOM 0 HB3 CYS A 24 -9.286 -5.585 0.245 1.00 60.50 H new ATOM 0 HG CYS A 24 -10.390 -3.241 0.235 1.00 14.45 H new ATOM 350 N PRO A 25 -9.868 -8.308 0.589 1.00 73.20 N ATOM 351 CA PRO A 25 -9.461 -9.652 0.124 1.00 40.33 C ATOM 352 C PRO A 25 -7.945 -9.905 0.154 1.00 25.33 C ATOM 353 O PRO A 25 -7.128 -8.983 0.047 1.00 53.42 O ATOM 354 CB PRO A 25 -9.968 -9.690 -1.313 1.00 1.42 C ATOM 355 CG PRO A 25 -11.143 -8.790 -1.306 1.00 32.40 C ATOM 356 CD PRO A 25 -10.773 -7.664 -0.402 1.00 41.22 C ATOM 0 HA PRO A 25 -9.867 -10.424 0.778 1.00 40.33 H new ATOM 0 HB2 PRO A 25 -9.207 -9.346 -2.013 1.00 1.42 H new ATOM 0 HB3 PRO A 25 -10.243 -10.702 -1.612 1.00 1.42 H new ATOM 0 HG2 PRO A 25 -11.368 -8.430 -2.310 1.00 32.40 H new ATOM 0 HG3 PRO A 25 -12.032 -9.307 -0.946 1.00 32.40 H new ATOM 0 HD2 PRO A 25 -10.272 -6.861 -0.943 1.00 41.22 H new ATOM 0 HD3 PRO A 25 -11.649 -7.227 0.077 1.00 41.22 H new ATOM 364 N LYS A 26 -7.590 -11.178 0.266 1.00 74.13 N ATOM 365 CA LYS A 26 -6.191 -11.624 0.367 1.00 1.32 C ATOM 366 C LYS A 26 -5.428 -11.466 -0.952 1.00 60.23 C ATOM 367 O LYS A 26 -4.198 -11.517 -0.978 1.00 11.42 O ATOM 368 CB LYS A 26 -6.094 -13.100 0.848 1.00 11.23 C ATOM 369 CG LYS A 26 -6.591 -14.193 -0.136 1.00 53.11 C ATOM 370 CD LYS A 26 -8.074 -14.094 -0.454 1.00 50.42 C ATOM 371 CE LYS A 26 -8.514 -15.182 -1.420 1.00 2.34 C ATOM 372 NZ LYS A 26 -9.949 -15.074 -1.749 1.00 2.12 N ATOM 0 H LYS A 26 -8.264 -11.943 0.290 1.00 74.13 H new ATOM 0 HA LYS A 26 -5.725 -10.975 1.108 1.00 1.32 H new ATOM 0 HB2 LYS A 26 -5.052 -13.310 1.091 1.00 11.23 H new ATOM 0 HB3 LYS A 26 -6.662 -13.193 1.774 1.00 11.23 H new ATOM 0 HG2 LYS A 26 -6.023 -14.121 -1.064 1.00 53.11 H new ATOM 0 HG3 LYS A 26 -6.384 -15.175 0.289 1.00 53.11 H new ATOM 0 HD2 LYS A 26 -8.650 -14.171 0.468 1.00 50.42 H new ATOM 0 HD3 LYS A 26 -8.290 -13.116 -0.884 1.00 50.42 H new ATOM 0 HE2 LYS A 26 -7.925 -15.116 -2.335 1.00 2.34 H new ATOM 0 HE3 LYS A 26 -8.314 -16.160 -0.982 1.00 2.34 H new ATOM 0 HZ1 LYS A 26 -10.212 -15.833 -2.410 1.00 2.12 H new ATOM 0 HZ2 LYS A 26 -10.512 -15.162 -0.879 1.00 2.12 H new ATOM 0 HZ3 LYS A 26 -10.136 -14.151 -2.190 1.00 2.12 H new ATOM 386 N THR A 27 -6.152 -11.294 -2.030 1.00 71.03 N ATOM 387 CA THR A 27 -5.557 -11.155 -3.338 1.00 74.23 C ATOM 388 C THR A 27 -5.166 -9.728 -3.606 1.00 31.00 C ATOM 389 O THR A 27 -4.354 -9.431 -4.485 1.00 32.03 O ATOM 390 CB THR A 27 -6.588 -11.581 -4.368 1.00 23.53 C ATOM 391 OG1 THR A 27 -7.871 -10.987 -4.017 1.00 32.02 O ATOM 392 CG2 THR A 27 -6.712 -13.088 -4.408 1.00 54.53 C ATOM 0 H THR A 27 -7.171 -11.246 -2.027 1.00 71.03 H new ATOM 0 HA THR A 27 -4.660 -11.772 -3.391 1.00 74.23 H new ATOM 0 HB THR A 27 -6.274 -11.241 -5.355 1.00 23.53 H new ATOM 0 HG1 THR A 27 -7.794 -10.010 -4.032 1.00 32.02 H new ATOM 0 HG21 THR A 27 -7.456 -13.372 -5.152 1.00 54.53 H new ATOM 0 HG22 THR A 27 -5.749 -13.525 -4.672 1.00 54.53 H new ATOM 0 HG23 THR A 27 -7.021 -13.454 -3.429 1.00 54.53 H new ATOM 400 N ASP A 28 -5.699 -8.867 -2.822 1.00 22.04 N ATOM 401 CA ASP A 28 -5.488 -7.472 -2.971 1.00 70.31 C ATOM 402 C ASP A 28 -4.445 -7.039 -1.993 1.00 71.33 C ATOM 403 O ASP A 28 -4.691 -6.993 -0.787 1.00 72.20 O ATOM 404 CB ASP A 28 -6.808 -6.704 -2.740 1.00 11.23 C ATOM 405 CG ASP A 28 -7.902 -7.041 -3.761 1.00 23.33 C ATOM 406 OD1 ASP A 28 -8.325 -8.227 -3.840 1.00 1.21 O ATOM 407 OD2 ASP A 28 -8.352 -6.115 -4.496 1.00 72.23 O ATOM 0 H ASP A 28 -6.307 -9.115 -2.042 1.00 22.04 H new ATOM 0 HA ASP A 28 -5.148 -7.254 -3.983 1.00 70.31 H new ATOM 0 HB2 ASP A 28 -7.177 -6.926 -1.739 1.00 11.23 H new ATOM 0 HB3 ASP A 28 -6.607 -5.633 -2.776 1.00 11.23 H new ATOM 412 N SER A 29 -3.268 -6.754 -2.480 1.00 62.20 N ATOM 413 CA SER A 29 -2.213 -6.335 -1.616 1.00 44.13 C ATOM 414 C SER A 29 -2.436 -4.879 -1.240 1.00 61.31 C ATOM 415 O SER A 29 -3.202 -4.185 -1.895 1.00 14.14 O ATOM 416 CB SER A 29 -0.860 -6.601 -2.256 1.00 25.31 C ATOM 417 OG SER A 29 -0.706 -7.995 -2.494 1.00 21.25 O ATOM 0 H SER A 29 -3.022 -6.806 -3.468 1.00 62.20 H new ATOM 0 HA SER A 29 -2.217 -6.914 -0.693 1.00 44.13 H new ATOM 0 HB2 SER A 29 -0.776 -6.051 -3.193 1.00 25.31 H new ATOM 0 HB3 SER A 29 -0.063 -6.244 -1.605 1.00 25.31 H new ATOM 0 HG SER A 29 0.167 -8.162 -2.908 1.00 21.25 H new ATOM 423 N LEU A 30 -1.804 -4.416 -0.219 1.00 30.32 N ATOM 424 CA LEU A 30 -2.139 -3.122 0.286 1.00 52.52 C ATOM 425 C LEU A 30 -0.895 -2.259 0.265 1.00 42.42 C ATOM 426 O LEU A 30 0.182 -2.731 0.569 1.00 31.21 O ATOM 427 CB LEU A 30 -2.663 -3.337 1.711 1.00 22.24 C ATOM 428 CG LEU A 30 -3.543 -2.264 2.357 1.00 23.24 C ATOM 429 CD1 LEU A 30 -4.016 -2.770 3.695 1.00 71.25 C ATOM 430 CD2 LEU A 30 -2.822 -0.937 2.508 1.00 45.44 C ATOM 0 H LEU A 30 -1.060 -4.903 0.281 1.00 30.32 H new ATOM 0 HA LEU A 30 -2.898 -2.616 -0.311 1.00 52.52 H new ATOM 0 HB2 LEU A 30 -3.228 -4.269 1.715 1.00 22.24 H new ATOM 0 HB3 LEU A 30 -1.799 -3.485 2.359 1.00 22.24 H new ATOM 0 HG LEU A 30 -4.394 -2.076 1.703 1.00 23.24 H new ATOM 0 HD11 LEU A 30 -4.645 -2.016 4.168 1.00 71.25 H new ATOM 0 HD12 LEU A 30 -4.591 -3.686 3.555 1.00 71.25 H new ATOM 0 HD13 LEU A 30 -3.155 -2.975 4.331 1.00 71.25 H new ATOM 0 HD21 LEU A 30 -3.490 -0.211 2.971 1.00 45.44 H new ATOM 0 HD22 LEU A 30 -1.941 -1.071 3.135 1.00 45.44 H new ATOM 0 HD23 LEU A 30 -2.517 -0.575 1.526 1.00 45.44 H new ATOM 442 N ALA A 31 -1.052 -1.011 -0.080 1.00 10.11 N ATOM 443 CA ALA A 31 0.060 -0.101 -0.195 1.00 4.02 C ATOM 444 C ALA A 31 -0.284 1.263 0.399 1.00 61.03 C ATOM 445 O ALA A 31 -1.449 1.616 0.517 1.00 63.24 O ATOM 446 CB ALA A 31 0.445 0.039 -1.653 1.00 15.31 C ATOM 0 H ALA A 31 -1.958 -0.592 -0.291 1.00 10.11 H new ATOM 0 HA ALA A 31 0.903 -0.504 0.366 1.00 4.02 H new ATOM 0 HB1 ALA A 31 1.286 0.727 -1.743 1.00 15.31 H new ATOM 0 HB2 ALA A 31 0.729 -0.936 -2.049 1.00 15.31 H new ATOM 0 HB3 ALA A 31 -0.403 0.427 -2.218 1.00 15.31 H new ATOM 452 N HIS A 32 0.740 1.990 0.834 1.00 40.31 N ATOM 453 CA HIS A 32 0.605 3.360 1.359 1.00 32.12 C ATOM 454 C HIS A 32 1.977 4.008 1.521 1.00 73.22 C ATOM 455 O HIS A 32 2.988 3.324 1.423 1.00 51.21 O ATOM 456 CB HIS A 32 -0.237 3.436 2.663 1.00 53.03 C ATOM 457 CG HIS A 32 0.202 2.515 3.750 1.00 61.23 C ATOM 458 ND1 HIS A 32 1.166 2.837 4.675 1.00 31.43 N ATOM 459 CD2 HIS A 32 -0.195 1.257 4.042 1.00 55.41 C ATOM 460 CE1 HIS A 32 1.356 1.820 5.478 1.00 62.21 C ATOM 461 NE2 HIS A 32 0.549 0.845 5.121 1.00 2.41 N ATOM 0 H HIS A 32 1.701 1.648 0.835 1.00 40.31 H new ATOM 0 HA HIS A 32 0.042 3.932 0.621 1.00 32.12 H new ATOM 0 HB2 HIS A 32 -0.206 4.459 3.039 1.00 53.03 H new ATOM 0 HB3 HIS A 32 -1.277 3.217 2.420 1.00 53.03 H new ATOM 0 HD2 HIS A 32 -0.952 0.685 3.526 1.00 55.41 H new ATOM 0 HE1 HIS A 32 2.059 1.787 6.297 1.00 62.21 H new ATOM 0 HE2 HIS A 32 0.486 -0.068 5.572 1.00 2.41 H new ATOM 470 N CYS A 33 2.003 5.298 1.811 1.00 30.54 N ATOM 471 CA CYS A 33 3.246 6.064 1.882 1.00 70.41 C ATOM 472 C CYS A 33 3.727 6.256 3.329 1.00 42.02 C ATOM 473 O CYS A 33 2.939 6.574 4.224 1.00 12.41 O ATOM 474 CB CYS A 33 3.016 7.422 1.212 1.00 4.52 C ATOM 475 SG CYS A 33 1.589 8.338 1.854 1.00 61.03 S ATOM 0 H CYS A 33 1.166 5.848 2.005 1.00 30.54 H new ATOM 0 HA CYS A 33 4.028 5.509 1.364 1.00 70.41 H new ATOM 0 HB2 CYS A 33 3.911 8.032 1.337 1.00 4.52 H new ATOM 0 HB3 CYS A 33 2.882 7.268 0.141 1.00 4.52 H new ATOM 0 HG CYS A 33 1.482 9.471 1.225 1.00 61.03 H new ATOM 481 N ILE A 34 5.011 6.047 3.552 1.00 11.55 N ATOM 482 CA ILE A 34 5.629 6.197 4.862 1.00 43.54 C ATOM 483 C ILE A 34 6.940 6.938 4.726 1.00 62.54 C ATOM 484 O ILE A 34 7.394 7.220 3.600 1.00 62.14 O ATOM 485 CB ILE A 34 5.914 4.864 5.605 1.00 3.34 C ATOM 486 CG1 ILE A 34 6.915 4.006 4.836 1.00 43.35 C ATOM 487 CG2 ILE A 34 4.629 4.101 5.874 1.00 71.11 C ATOM 488 CD1 ILE A 34 7.459 2.844 5.645 1.00 71.45 C ATOM 0 H ILE A 34 5.665 5.765 2.822 1.00 11.55 H new ATOM 0 HA ILE A 34 4.900 6.746 5.457 1.00 43.54 H new ATOM 0 HB ILE A 34 6.361 5.110 6.568 1.00 3.34 H new ATOM 0 HG12 ILE A 34 6.436 3.620 3.936 1.00 43.35 H new ATOM 0 HG13 ILE A 34 7.745 4.633 4.511 1.00 43.35 H new ATOM 0 HG21 ILE A 34 4.860 3.172 6.395 1.00 71.11 H new ATOM 0 HG22 ILE A 34 3.967 4.709 6.491 1.00 71.11 H new ATOM 0 HG23 ILE A 34 4.136 3.874 4.929 1.00 71.11 H new ATOM 0 HD11 ILE A 34 8.164 2.277 5.038 1.00 71.45 H new ATOM 0 HD12 ILE A 34 7.967 3.224 6.531 1.00 71.45 H new ATOM 0 HD13 ILE A 34 6.637 2.195 5.948 1.00 71.45 H new ATOM 500 N SER A 35 7.516 7.299 5.842 1.00 62.14 N ATOM 501 CA SER A 35 8.775 7.954 5.838 1.00 0.15 C ATOM 502 C SER A 35 9.916 6.927 5.898 1.00 65.53 C ATOM 503 O SER A 35 9.709 5.759 6.302 1.00 51.14 O ATOM 504 CB SER A 35 8.843 8.932 6.984 1.00 0.41 C ATOM 505 OG SER A 35 8.654 8.279 8.232 1.00 41.44 O ATOM 0 H SER A 35 7.120 7.144 6.769 1.00 62.14 H new ATOM 0 HA SER A 35 8.890 8.512 4.909 1.00 0.15 H new ATOM 0 HB2 SER A 35 9.809 9.436 6.978 1.00 0.41 H new ATOM 0 HB3 SER A 35 8.081 9.701 6.854 1.00 0.41 H new ATOM 0 HG SER A 35 9.334 8.585 8.868 1.00 41.44 H new ATOM 511 N GLU A 36 11.110 7.346 5.507 1.00 13.40 N ATOM 512 CA GLU A 36 12.251 6.455 5.460 1.00 2.51 C ATOM 513 C GLU A 36 12.763 6.091 6.847 1.00 1.02 C ATOM 514 O GLU A 36 13.501 5.112 7.011 1.00 54.54 O ATOM 515 CB GLU A 36 13.364 6.995 4.559 1.00 2.31 C ATOM 516 CG GLU A 36 14.055 8.240 5.014 1.00 62.25 C ATOM 517 CD GLU A 36 15.061 8.699 3.985 1.00 71.40 C ATOM 518 OE1 GLU A 36 14.665 8.987 2.826 1.00 34.11 O ATOM 519 OE2 GLU A 36 16.259 8.788 4.316 1.00 63.42 O ATOM 0 H GLU A 36 11.311 8.303 5.217 1.00 13.40 H new ATOM 0 HA GLU A 36 11.900 5.527 5.009 1.00 2.51 H new ATOM 0 HB2 GLU A 36 14.115 6.214 4.441 1.00 2.31 H new ATOM 0 HB3 GLU A 36 12.941 7.182 3.572 1.00 2.31 H new ATOM 0 HG2 GLU A 36 13.321 9.027 5.188 1.00 62.25 H new ATOM 0 HG3 GLU A 36 14.557 8.057 5.964 1.00 62.25 H new ATOM 526 N ASP A 37 12.385 6.861 7.828 1.00 3.11 N ATOM 527 CA ASP A 37 12.762 6.577 9.201 1.00 14.05 C ATOM 528 C ASP A 37 11.674 5.795 9.927 1.00 40.33 C ATOM 529 O ASP A 37 11.898 5.295 11.030 1.00 22.21 O ATOM 530 CB ASP A 37 13.134 7.850 9.973 1.00 43.55 C ATOM 531 CG ASP A 37 12.032 8.899 10.063 1.00 45.25 C ATOM 532 OD1 ASP A 37 10.856 8.611 9.722 1.00 65.44 O ATOM 533 OD2 ASP A 37 12.341 10.024 10.508 1.00 44.01 O ATOM 0 H ASP A 37 11.813 7.697 7.710 1.00 3.11 H new ATOM 0 HA ASP A 37 13.654 5.952 9.160 1.00 14.05 H new ATOM 0 HB2 ASP A 37 13.430 7.569 10.984 1.00 43.55 H new ATOM 0 HB3 ASP A 37 14.006 8.301 9.499 1.00 43.55 H new ATOM 538 N CYS A 38 10.499 5.707 9.295 1.00 61.21 N ATOM 539 CA CYS A 38 9.344 4.950 9.801 1.00 31.24 C ATOM 540 C CYS A 38 8.758 5.517 11.101 1.00 1.02 C ATOM 541 O CYS A 38 7.953 4.862 11.767 1.00 4.44 O ATOM 542 CB CYS A 38 9.683 3.463 9.935 1.00 42.22 C ATOM 543 SG CYS A 38 10.123 2.698 8.360 1.00 40.14 S ATOM 0 H CYS A 38 10.319 6.167 8.402 1.00 61.21 H new ATOM 0 HA CYS A 38 8.556 5.060 9.056 1.00 31.24 H new ATOM 0 HB2 CYS A 38 10.511 3.346 10.634 1.00 42.22 H new ATOM 0 HB3 CYS A 38 8.829 2.938 10.362 1.00 42.22 H new ATOM 0 HG CYS A 38 9.295 1.729 8.102 1.00 40.14 H new ATOM 549 N ARG A 39 9.121 6.735 11.429 1.00 22.10 N ATOM 550 CA ARG A 39 8.625 7.421 12.624 1.00 53.44 C ATOM 551 C ARG A 39 7.172 7.927 12.490 1.00 3.14 C ATOM 552 O ARG A 39 6.813 8.925 13.129 1.00 1.44 O ATOM 553 CB ARG A 39 9.543 8.565 12.966 1.00 4.51 C ATOM 554 CG ARG A 39 10.939 8.112 13.277 1.00 50.10 C ATOM 555 CD ARG A 39 11.792 9.265 13.666 1.00 15.44 C ATOM 556 NE ARG A 39 13.178 8.872 13.911 1.00 33.11 N ATOM 557 CZ ARG A 39 14.127 9.706 14.341 1.00 70.12 C ATOM 558 NH1 ARG A 39 13.826 10.969 14.606 1.00 24.33 N ATOM 559 NH2 ARG A 39 15.365 9.280 14.506 1.00 21.12 N ATOM 0 H ARG A 39 9.774 7.292 10.877 1.00 22.10 H new ATOM 0 HA ARG A 39 8.616 6.685 13.428 1.00 53.44 H new ATOM 0 HB2 ARG A 39 9.570 9.266 12.132 1.00 4.51 H new ATOM 0 HB3 ARG A 39 9.141 9.105 13.823 1.00 4.51 H new ATOM 0 HG2 ARG A 39 10.918 7.380 14.085 1.00 50.10 H new ATOM 0 HG3 ARG A 39 11.367 7.614 12.407 1.00 50.10 H new ATOM 0 HD2 ARG A 39 11.764 10.017 12.878 1.00 15.44 H new ATOM 0 HD3 ARG A 39 11.384 9.729 14.564 1.00 15.44 H new ATOM 0 HE ARG A 39 13.436 7.900 13.743 1.00 33.11 H new ATOM 0 HH11 ARG A 39 12.870 11.302 14.481 1.00 24.33 H new ATOM 0 HH12 ARG A 39 14.550 11.608 14.935 1.00 24.33 H new ATOM 0 HH21 ARG A 39 15.601 8.308 14.305 1.00 21.12 H new ATOM 0 HH22 ARG A 39 16.086 9.922 14.835 1.00 21.12 H new ATOM 573 N MET A 40 6.337 7.227 11.698 1.00 50.51 N ATOM 574 CA MET A 40 4.938 7.635 11.466 1.00 3.14 C ATOM 575 C MET A 40 4.162 7.795 12.770 1.00 34.53 C ATOM 576 O MET A 40 3.844 6.803 13.455 1.00 40.30 O ATOM 577 CB MET A 40 4.151 6.661 10.547 1.00 3.20 C ATOM 578 CG MET A 40 4.691 6.471 9.128 1.00 13.41 C ATOM 579 SD MET A 40 6.204 5.490 9.034 1.00 61.30 S ATOM 580 CE MET A 40 5.655 3.884 9.672 1.00 13.42 C ATOM 0 H MET A 40 6.608 6.375 11.207 1.00 50.51 H new ATOM 0 HA MET A 40 5.019 8.597 10.960 1.00 3.14 H new ATOM 0 HB2 MET A 40 4.119 5.686 11.033 1.00 3.20 H new ATOM 0 HB3 MET A 40 3.123 7.016 10.476 1.00 3.20 H new ATOM 0 HG2 MET A 40 3.923 5.992 8.521 1.00 13.41 H new ATOM 0 HG3 MET A 40 4.879 7.451 8.689 1.00 13.41 H new ATOM 0 HE1 MET A 40 6.222 3.636 10.569 1.00 13.42 H new ATOM 0 HE2 MET A 40 4.594 3.933 9.915 1.00 13.42 H new ATOM 0 HE3 MET A 40 5.819 3.117 8.915 1.00 13.42 H new ATOM 590 N GLY A 41 3.873 9.032 13.112 1.00 12.41 N ATOM 591 CA GLY A 41 3.087 9.325 14.287 1.00 71.30 C ATOM 592 C GLY A 41 1.646 9.563 13.911 1.00 74.24 C ATOM 593 O GLY A 41 0.755 9.584 14.766 1.00 42.31 O ATOM 0 H GLY A 41 4.173 9.854 12.588 1.00 12.41 H new ATOM 0 HA2 GLY A 41 3.153 8.497 14.992 1.00 71.30 H new ATOM 0 HA3 GLY A 41 3.488 10.205 14.790 1.00 71.30 H new ATOM 597 N ALA A 42 1.430 9.755 12.625 1.00 23.24 N ATOM 598 CA ALA A 42 0.120 9.945 12.052 1.00 61.22 C ATOM 599 C ALA A 42 0.083 9.264 10.706 1.00 61.12 C ATOM 600 O ALA A 42 1.142 8.981 10.117 1.00 22.41 O ATOM 601 CB ALA A 42 -0.201 11.422 11.889 1.00 63.20 C ATOM 0 H ALA A 42 2.181 9.783 11.936 1.00 23.24 H new ATOM 0 HA ALA A 42 -0.626 9.514 12.720 1.00 61.22 H new ATOM 0 HB1 ALA A 42 -1.195 11.533 11.455 1.00 63.20 H new ATOM 0 HB2 ALA A 42 -0.174 11.910 12.863 1.00 63.20 H new ATOM 0 HB3 ALA A 42 0.536 11.884 11.232 1.00 63.20 H new ATOM 607 N GLY A 43 -1.098 9.003 10.226 1.00 41.30 N ATOM 608 CA GLY A 43 -1.256 8.340 8.977 1.00 33.51 C ATOM 609 C GLY A 43 -1.799 6.960 9.185 1.00 74.14 C ATOM 610 O GLY A 43 -1.808 6.455 10.317 1.00 41.14 O ATOM 0 H GLY A 43 -1.972 9.245 10.692 1.00 41.30 H new ATOM 0 HA2 GLY A 43 -1.930 8.910 8.338 1.00 33.51 H new ATOM 0 HA3 GLY A 43 -0.297 8.287 8.462 1.00 33.51 H new ATOM 614 N ILE A 44 -2.228 6.335 8.119 1.00 21.44 N ATOM 615 CA ILE A 44 -2.801 5.001 8.184 1.00 61.42 C ATOM 616 C ILE A 44 -1.743 3.965 8.651 1.00 73.24 C ATOM 617 O ILE A 44 -2.076 2.894 9.157 1.00 5.30 O ATOM 618 CB ILE A 44 -3.405 4.602 6.812 1.00 54.41 C ATOM 619 CG1 ILE A 44 -4.164 3.288 6.924 1.00 23.41 C ATOM 620 CG2 ILE A 44 -2.315 4.506 5.746 1.00 35.25 C ATOM 621 CD1 ILE A 44 -4.896 2.908 5.683 1.00 44.40 C ATOM 0 H ILE A 44 -2.193 6.730 7.179 1.00 21.44 H new ATOM 0 HA ILE A 44 -3.605 5.009 8.920 1.00 61.42 H new ATOM 0 HB ILE A 44 -4.107 5.379 6.510 1.00 54.41 H new ATOM 0 HG12 ILE A 44 -3.462 2.494 7.178 1.00 23.41 H new ATOM 0 HG13 ILE A 44 -4.875 3.359 7.747 1.00 23.41 H new ATOM 0 HG21 ILE A 44 -2.762 4.225 4.793 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -1.820 5.472 5.644 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -1.584 3.753 6.040 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -5.412 1.961 5.841 1.00 44.40 H new ATOM 0 HD12 ILE A 44 -5.624 3.682 5.439 1.00 44.40 H new ATOM 0 HD13 ILE A 44 -4.188 2.803 4.861 1.00 44.40 H new ATOM 633 N ALA A 45 -0.466 4.329 8.514 1.00 21.33 N ATOM 634 CA ALA A 45 0.644 3.471 8.912 1.00 31.25 C ATOM 635 C ALA A 45 0.656 3.217 10.419 1.00 4.12 C ATOM 636 O ALA A 45 1.204 2.217 10.873 1.00 4.44 O ATOM 637 CB ALA A 45 1.965 4.063 8.470 1.00 64.03 C ATOM 0 H ALA A 45 -0.176 5.226 8.124 1.00 21.33 H new ATOM 0 HA ALA A 45 0.503 2.511 8.415 1.00 31.25 H new ATOM 0 HB1 ALA A 45 2.779 3.406 8.777 1.00 64.03 H new ATOM 0 HB2 ALA A 45 1.972 4.167 7.385 1.00 64.03 H new ATOM 0 HB3 ALA A 45 2.096 5.043 8.929 1.00 64.03 H new ATOM 643 N VAL A 46 0.037 4.112 11.187 1.00 70.50 N ATOM 644 CA VAL A 46 -0.033 3.955 12.637 1.00 12.14 C ATOM 645 C VAL A 46 -0.854 2.702 12.989 1.00 42.41 C ATOM 646 O VAL A 46 -0.570 2.008 13.965 1.00 31.30 O ATOM 647 CB VAL A 46 -0.599 5.229 13.332 1.00 43.12 C ATOM 648 CG1 VAL A 46 -0.668 5.054 14.844 1.00 4.41 C ATOM 649 CG2 VAL A 46 0.279 6.418 13.001 1.00 34.02 C ATOM 0 H VAL A 46 -0.422 4.950 10.830 1.00 70.50 H new ATOM 0 HA VAL A 46 0.980 3.822 13.017 1.00 12.14 H new ATOM 0 HB VAL A 46 -1.611 5.396 12.963 1.00 43.12 H new ATOM 0 HG11 VAL A 46 -1.067 5.961 15.297 1.00 4.41 H new ATOM 0 HG12 VAL A 46 -1.318 4.212 15.084 1.00 4.41 H new ATOM 0 HG13 VAL A 46 0.332 4.863 15.234 1.00 4.41 H new ATOM 0 HG21 VAL A 46 -0.117 7.309 13.487 1.00 34.02 H new ATOM 0 HG22 VAL A 46 1.293 6.232 13.355 1.00 34.02 H new ATOM 0 HG23 VAL A 46 0.294 6.570 11.922 1.00 34.02 H new ATOM 659 N LEU A 47 -1.847 2.418 12.176 1.00 1.45 N ATOM 660 CA LEU A 47 -2.654 1.208 12.303 1.00 10.22 C ATOM 661 C LEU A 47 -1.826 -0.037 12.008 1.00 25.54 C ATOM 662 O LEU A 47 -1.872 -1.024 12.752 1.00 12.23 O ATOM 663 CB LEU A 47 -3.867 1.303 11.383 1.00 13.34 C ATOM 664 CG LEU A 47 -5.024 2.155 11.899 1.00 73.14 C ATOM 665 CD1 LEU A 47 -5.975 2.530 10.775 1.00 63.51 C ATOM 666 CD2 LEU A 47 -5.781 1.348 12.929 1.00 32.32 C ATOM 0 H LEU A 47 -2.125 3.019 11.400 1.00 1.45 H new ATOM 0 HA LEU A 47 -3.004 1.122 13.332 1.00 10.22 H new ATOM 0 HB2 LEU A 47 -3.542 1.707 10.424 1.00 13.34 H new ATOM 0 HB3 LEU A 47 -4.238 0.295 11.195 1.00 13.34 H new ATOM 0 HG LEU A 47 -4.623 3.073 12.330 1.00 73.14 H new ATOM 0 HD11 LEU A 47 -6.788 3.136 11.174 1.00 63.51 H new ATOM 0 HD12 LEU A 47 -5.436 3.099 10.017 1.00 63.51 H new ATOM 0 HD13 LEU A 47 -6.384 1.624 10.327 1.00 63.51 H new ATOM 0 HD21 LEU A 47 -6.614 1.937 13.313 1.00 32.32 H new ATOM 0 HD22 LEU A 47 -6.163 0.437 12.468 1.00 32.32 H new ATOM 0 HD23 LEU A 47 -5.113 1.087 13.750 1.00 32.32 H new ATOM 678 N PHE A 48 -1.037 0.036 10.954 1.00 35.12 N ATOM 679 CA PHE A 48 -0.161 -1.063 10.553 1.00 4.10 C ATOM 680 C PHE A 48 0.895 -1.351 11.599 1.00 70.50 C ATOM 681 O PHE A 48 1.337 -2.498 11.750 1.00 3.14 O ATOM 682 CB PHE A 48 0.493 -0.780 9.199 1.00 12.14 C ATOM 683 CG PHE A 48 -0.458 -0.851 8.051 1.00 31.12 C ATOM 684 CD1 PHE A 48 -1.339 0.174 7.783 1.00 42.20 C ATOM 685 CD2 PHE A 48 -0.471 -1.959 7.238 1.00 42.10 C ATOM 686 CE1 PHE A 48 -2.212 0.083 6.725 1.00 32.15 C ATOM 687 CE2 PHE A 48 -1.340 -2.049 6.183 1.00 32.22 C ATOM 688 CZ PHE A 48 -2.211 -1.024 5.932 1.00 64.45 C ATOM 0 H PHE A 48 -0.980 0.855 10.348 1.00 35.12 H new ATOM 0 HA PHE A 48 -0.786 -1.951 10.457 1.00 4.10 H new ATOM 0 HB2 PHE A 48 0.947 0.211 9.224 1.00 12.14 H new ATOM 0 HB3 PHE A 48 1.299 -1.496 9.037 1.00 12.14 H new ATOM 0 HD1 PHE A 48 -1.344 1.055 8.408 1.00 42.20 H new ATOM 0 HD2 PHE A 48 0.214 -2.771 7.434 1.00 42.10 H new ATOM 0 HE1 PHE A 48 -2.900 0.891 6.522 1.00 32.15 H new ATOM 0 HE2 PHE A 48 -1.338 -2.925 5.552 1.00 32.22 H new ATOM 0 HZ PHE A 48 -2.899 -1.093 5.103 1.00 64.45 H new ATOM 698 N LYS A 49 1.288 -0.314 12.325 1.00 51.31 N ATOM 699 CA LYS A 49 2.263 -0.437 13.367 1.00 75.14 C ATOM 700 C LYS A 49 1.819 -1.435 14.443 1.00 32.12 C ATOM 701 O LYS A 49 2.584 -2.313 14.811 1.00 34.03 O ATOM 702 CB LYS A 49 2.616 0.938 13.928 1.00 14.23 C ATOM 703 CG LYS A 49 3.693 0.914 14.991 1.00 75.34 C ATOM 704 CD LYS A 49 4.349 2.273 15.130 1.00 21.43 C ATOM 705 CE LYS A 49 3.391 3.378 15.561 1.00 53.53 C ATOM 706 NZ LYS A 49 4.086 4.690 15.671 1.00 23.04 N ATOM 0 H LYS A 49 0.931 0.633 12.198 1.00 51.31 H new ATOM 0 HA LYS A 49 3.178 -0.853 12.944 1.00 75.14 H new ATOM 0 HB2 LYS A 49 2.943 1.579 13.110 1.00 14.23 H new ATOM 0 HB3 LYS A 49 1.717 1.389 14.347 1.00 14.23 H new ATOM 0 HG2 LYS A 49 3.260 0.616 15.946 1.00 75.34 H new ATOM 0 HG3 LYS A 49 4.445 0.168 14.735 1.00 75.34 H new ATOM 0 HD2 LYS A 49 5.158 2.203 15.857 1.00 21.43 H new ATOM 0 HD3 LYS A 49 4.800 2.548 14.176 1.00 21.43 H new ATOM 0 HE2 LYS A 49 2.576 3.456 14.841 1.00 53.53 H new ATOM 0 HE3 LYS A 49 2.944 3.120 16.521 1.00 53.53 H new ATOM 0 HZ1 LYS A 49 3.760 5.185 16.526 1.00 23.04 H new ATOM 0 HZ2 LYS A 49 5.113 4.535 15.731 1.00 23.04 H new ATOM 0 HZ3 LYS A 49 3.871 5.268 14.833 1.00 23.04 H new ATOM 720 N LYS A 50 0.576 -1.328 14.923 1.00 41.11 N ATOM 721 CA LYS A 50 0.100 -2.300 15.886 1.00 73.04 C ATOM 722 C LYS A 50 -0.206 -3.644 15.248 1.00 74.33 C ATOM 723 O LYS A 50 0.165 -4.689 15.773 1.00 13.15 O ATOM 724 CB LYS A 50 -1.114 -1.845 16.691 1.00 64.35 C ATOM 725 CG LYS A 50 -0.886 -0.654 17.603 1.00 61.52 C ATOM 726 CD LYS A 50 -1.016 0.676 16.889 1.00 73.40 C ATOM 727 CE LYS A 50 -2.445 0.884 16.403 1.00 65.42 C ATOM 728 NZ LYS A 50 -2.639 2.212 15.816 1.00 62.04 N ATOM 0 H LYS A 50 -0.092 -0.601 14.666 1.00 41.11 H new ATOM 0 HA LYS A 50 0.933 -2.405 16.581 1.00 73.04 H new ATOM 0 HB2 LYS A 50 -1.917 -1.600 15.996 1.00 64.35 H new ATOM 0 HB3 LYS A 50 -1.461 -2.682 17.296 1.00 64.35 H new ATOM 0 HG2 LYS A 50 -1.602 -0.690 18.424 1.00 61.52 H new ATOM 0 HG3 LYS A 50 0.108 -0.727 18.044 1.00 61.52 H new ATOM 0 HD2 LYS A 50 -0.733 1.486 17.562 1.00 73.40 H new ATOM 0 HD3 LYS A 50 -0.329 0.710 16.043 1.00 73.40 H new ATOM 0 HE2 LYS A 50 -2.691 0.122 15.664 1.00 65.42 H new ATOM 0 HE3 LYS A 50 -3.134 0.753 17.237 1.00 65.42 H new ATOM 0 HZ1 LYS A 50 -3.643 2.342 15.576 1.00 62.04 H new ATOM 0 HZ2 LYS A 50 -2.349 2.940 16.500 1.00 62.04 H new ATOM 0 HZ3 LYS A 50 -2.063 2.298 14.954 1.00 62.04 H new ATOM 742 N LYS A 51 -0.877 -3.612 14.108 1.00 55.32 N ATOM 743 CA LYS A 51 -1.343 -4.829 13.475 1.00 13.25 C ATOM 744 C LYS A 51 -0.257 -5.735 12.934 1.00 72.23 C ATOM 745 O LYS A 51 -0.291 -6.947 13.168 1.00 0.34 O ATOM 746 CB LYS A 51 -2.350 -4.525 12.401 1.00 41.40 C ATOM 747 CG LYS A 51 -3.656 -4.029 12.945 1.00 33.01 C ATOM 748 CD LYS A 51 -4.629 -3.780 11.836 1.00 41.33 C ATOM 749 CE LYS A 51 -6.003 -3.446 12.379 1.00 11.44 C ATOM 750 NZ LYS A 51 -6.557 -4.575 13.166 1.00 5.13 N ATOM 0 H LYS A 51 -1.110 -2.756 13.605 1.00 55.32 H new ATOM 0 HA LYS A 51 -1.812 -5.393 14.281 1.00 13.25 H new ATOM 0 HB2 LYS A 51 -1.937 -3.777 11.725 1.00 41.40 H new ATOM 0 HB3 LYS A 51 -2.527 -5.425 11.811 1.00 41.40 H new ATOM 0 HG2 LYS A 51 -4.068 -4.761 13.640 1.00 33.01 H new ATOM 0 HG3 LYS A 51 -3.496 -3.110 13.508 1.00 33.01 H new ATOM 0 HD2 LYS A 51 -4.272 -2.960 11.213 1.00 41.33 H new ATOM 0 HD3 LYS A 51 -4.691 -4.662 11.198 1.00 41.33 H new ATOM 0 HE2 LYS A 51 -5.943 -2.557 13.006 1.00 11.44 H new ATOM 0 HE3 LYS A 51 -6.675 -3.209 11.554 1.00 11.44 H new ATOM 0 HZ1 LYS A 51 -7.590 -4.475 13.237 1.00 5.13 H new ATOM 0 HZ2 LYS A 51 -6.328 -5.473 12.694 1.00 5.13 H new ATOM 0 HZ3 LYS A 51 -6.142 -4.570 14.120 1.00 5.13 H new ATOM 764 N PHE A 52 0.709 -5.186 12.247 1.00 72.11 N ATOM 765 CA PHE A 52 1.711 -6.032 11.647 1.00 24.52 C ATOM 766 C PHE A 52 3.005 -5.986 12.411 1.00 12.22 C ATOM 767 O PHE A 52 3.745 -6.967 12.418 1.00 31.10 O ATOM 768 CB PHE A 52 1.946 -5.623 10.187 1.00 73.14 C ATOM 769 CG PHE A 52 0.727 -5.780 9.318 1.00 42.44 C ATOM 770 CD1 PHE A 52 -0.214 -4.773 9.229 1.00 72.54 C ATOM 771 CD2 PHE A 52 0.527 -6.936 8.601 1.00 53.23 C ATOM 772 CE1 PHE A 52 -1.334 -4.922 8.439 1.00 42.13 C ATOM 773 CE2 PHE A 52 -0.590 -7.090 7.808 1.00 41.21 C ATOM 774 CZ PHE A 52 -1.521 -6.082 7.728 1.00 71.23 C ATOM 0 H PHE A 52 0.825 -4.185 12.090 1.00 72.11 H new ATOM 0 HA PHE A 52 1.341 -7.057 11.679 1.00 24.52 H new ATOM 0 HB2 PHE A 52 2.273 -4.584 10.157 1.00 73.14 H new ATOM 0 HB3 PHE A 52 2.757 -6.224 9.775 1.00 73.14 H new ATOM 0 HD1 PHE A 52 -0.071 -3.858 9.785 1.00 72.54 H new ATOM 0 HD2 PHE A 52 1.254 -7.733 8.660 1.00 53.23 H new ATOM 0 HE1 PHE A 52 -2.063 -4.128 8.379 1.00 42.13 H new ATOM 0 HE2 PHE A 52 -0.734 -8.003 7.249 1.00 41.21 H new ATOM 0 HZ PHE A 52 -2.397 -6.202 7.108 1.00 71.23 H new ATOM 784 N GLY A 53 3.234 -4.881 13.129 1.00 33.43 N ATOM 785 CA GLY A 53 4.468 -4.703 13.895 1.00 45.50 C ATOM 786 C GLY A 53 5.703 -5.023 13.078 1.00 50.32 C ATOM 787 O GLY A 53 6.522 -5.856 13.479 1.00 64.45 O ATOM 0 H GLY A 53 2.582 -4.100 13.194 1.00 33.43 H new ATOM 0 HA2 GLY A 53 4.527 -3.674 14.251 1.00 45.50 H new ATOM 0 HA3 GLY A 53 4.442 -5.344 14.776 1.00 45.50 H new ATOM 791 N GLY A 54 5.831 -4.390 11.931 1.00 24.55 N ATOM 792 CA GLY A 54 6.937 -4.700 11.048 1.00 25.23 C ATOM 793 C GLY A 54 7.872 -3.539 10.852 1.00 32.31 C ATOM 794 O GLY A 54 8.572 -3.471 9.848 1.00 43.01 O ATOM 0 H GLY A 54 5.195 -3.669 11.591 1.00 24.55 H new ATOM 0 HA2 GLY A 54 7.494 -5.544 11.454 1.00 25.23 H new ATOM 0 HA3 GLY A 54 6.546 -5.013 10.080 1.00 25.23 H new ATOM 798 N VAL A 55 7.907 -2.639 11.819 1.00 63.41 N ATOM 799 CA VAL A 55 8.723 -1.438 11.728 1.00 5.11 C ATOM 800 C VAL A 55 10.223 -1.771 11.689 1.00 61.34 C ATOM 801 O VAL A 55 10.982 -1.156 10.927 1.00 73.31 O ATOM 802 CB VAL A 55 8.397 -0.437 12.872 1.00 33.54 C ATOM 803 CG1 VAL A 55 9.288 0.791 12.793 1.00 33.22 C ATOM 804 CG2 VAL A 55 6.931 -0.014 12.793 1.00 52.24 C ATOM 0 H VAL A 55 7.374 -2.718 12.685 1.00 63.41 H new ATOM 0 HA VAL A 55 8.473 -0.952 10.785 1.00 5.11 H new ATOM 0 HB VAL A 55 8.582 -0.937 13.823 1.00 33.54 H new ATOM 0 HG11 VAL A 55 9.039 1.474 13.605 1.00 33.22 H new ATOM 0 HG12 VAL A 55 10.332 0.489 12.880 1.00 33.22 H new ATOM 0 HG13 VAL A 55 9.134 1.292 11.837 1.00 33.22 H new ATOM 0 HG21 VAL A 55 6.711 0.687 13.598 1.00 52.24 H new ATOM 0 HG22 VAL A 55 6.742 0.465 11.832 1.00 52.24 H new ATOM 0 HG23 VAL A 55 6.293 -0.892 12.892 1.00 52.24 H new ATOM 814 N GLN A 56 10.643 -2.764 12.468 1.00 42.13 N ATOM 815 CA GLN A 56 12.025 -3.170 12.490 1.00 71.15 C ATOM 816 C GLN A 56 12.414 -3.778 11.165 1.00 53.00 C ATOM 817 O GLN A 56 13.507 -3.537 10.666 1.00 24.10 O ATOM 818 CB GLN A 56 12.330 -4.134 13.646 1.00 73.25 C ATOM 819 CG GLN A 56 12.273 -3.550 15.072 1.00 12.44 C ATOM 820 CD GLN A 56 10.906 -3.037 15.498 1.00 24.12 C ATOM 821 OE1 GLN A 56 10.093 -3.777 16.038 1.00 51.13 O ATOM 822 NE2 GLN A 56 10.659 -1.766 15.293 1.00 52.45 N ATOM 0 H GLN A 56 10.036 -3.297 13.090 1.00 42.13 H new ATOM 0 HA GLN A 56 12.625 -2.276 12.658 1.00 71.15 H new ATOM 0 HB2 GLN A 56 11.626 -4.964 13.591 1.00 73.25 H new ATOM 0 HB3 GLN A 56 13.325 -4.549 13.488 1.00 73.25 H new ATOM 0 HG2 GLN A 56 12.593 -4.318 15.777 1.00 12.44 H new ATOM 0 HG3 GLN A 56 12.991 -2.733 15.143 1.00 12.44 H new ATOM 0 HE21 GLN A 56 11.358 -1.177 14.840 1.00 52.45 H new ATOM 0 HE22 GLN A 56 9.768 -1.366 15.586 1.00 52.45 H new ATOM 831 N GLU A 57 11.520 -4.545 10.587 1.00 45.30 N ATOM 832 CA GLU A 57 11.746 -5.117 9.297 1.00 12.12 C ATOM 833 C GLU A 57 11.878 -4.035 8.244 1.00 63.44 C ATOM 834 O GLU A 57 12.724 -4.110 7.362 1.00 34.41 O ATOM 835 CB GLU A 57 10.655 -6.086 8.920 1.00 24.54 C ATOM 836 CG GLU A 57 10.602 -7.316 9.800 1.00 70.21 C ATOM 837 CD GLU A 57 10.045 -7.086 11.188 1.00 24.11 C ATOM 838 OE1 GLU A 57 8.827 -7.192 11.361 1.00 4.12 O ATOM 839 OE2 GLU A 57 10.817 -6.801 12.120 1.00 50.14 O ATOM 0 H GLU A 57 10.620 -4.785 11.003 1.00 45.30 H new ATOM 0 HA GLU A 57 12.683 -5.672 9.347 1.00 12.12 H new ATOM 0 HB2 GLU A 57 9.694 -5.574 8.968 1.00 24.54 H new ATOM 0 HB3 GLU A 57 10.799 -6.397 7.885 1.00 24.54 H new ATOM 0 HG2 GLU A 57 9.997 -8.074 9.303 1.00 70.21 H new ATOM 0 HG3 GLU A 57 11.609 -7.722 9.892 1.00 70.21 H new ATOM 846 N LEU A 58 11.053 -3.012 8.359 1.00 14.31 N ATOM 847 CA LEU A 58 11.093 -1.885 7.444 1.00 22.31 C ATOM 848 C LEU A 58 12.418 -1.136 7.559 1.00 23.11 C ATOM 849 O LEU A 58 13.013 -0.744 6.547 1.00 64.00 O ATOM 850 CB LEU A 58 9.937 -0.921 7.714 1.00 22.00 C ATOM 851 CG LEU A 58 8.529 -1.493 7.577 1.00 15.01 C ATOM 852 CD1 LEU A 58 7.493 -0.431 7.895 1.00 54.43 C ATOM 853 CD2 LEU A 58 8.309 -2.056 6.185 1.00 45.43 C ATOM 0 H LEU A 58 10.340 -2.938 9.084 1.00 14.31 H new ATOM 0 HA LEU A 58 10.996 -2.281 6.433 1.00 22.31 H new ATOM 0 HB2 LEU A 58 10.049 -0.528 8.725 1.00 22.00 H new ATOM 0 HB3 LEU A 58 10.030 -0.076 7.031 1.00 22.00 H new ATOM 0 HG LEU A 58 8.419 -2.308 8.292 1.00 15.01 H new ATOM 0 HD11 LEU A 58 6.494 -0.855 7.793 1.00 54.43 H new ATOM 0 HD12 LEU A 58 7.635 -0.079 8.917 1.00 54.43 H new ATOM 0 HD13 LEU A 58 7.605 0.405 7.204 1.00 54.43 H new ATOM 0 HD21 LEU A 58 7.299 -2.458 6.111 1.00 45.43 H new ATOM 0 HD22 LEU A 58 8.440 -1.264 5.447 1.00 45.43 H new ATOM 0 HD23 LEU A 58 9.031 -2.851 5.996 1.00 45.43 H new ATOM 865 N LEU A 59 12.869 -0.921 8.776 1.00 4.04 N ATOM 866 CA LEU A 59 14.120 -0.219 9.007 1.00 22.11 C ATOM 867 C LEU A 59 15.340 -1.051 8.661 1.00 41.13 C ATOM 868 O LEU A 59 16.238 -0.563 7.979 1.00 71.53 O ATOM 869 CB LEU A 59 14.208 0.359 10.423 1.00 55.10 C ATOM 870 CG LEU A 59 13.275 1.542 10.721 1.00 63.33 C ATOM 871 CD1 LEU A 59 13.389 1.962 12.170 1.00 45.12 C ATOM 872 CD2 LEU A 59 13.619 2.721 9.824 1.00 51.11 C ATOM 0 H LEU A 59 12.389 -1.222 9.625 1.00 4.04 H new ATOM 0 HA LEU A 59 14.119 0.623 8.315 1.00 22.11 H new ATOM 0 HB2 LEU A 59 13.992 -0.438 11.135 1.00 55.10 H new ATOM 0 HB3 LEU A 59 15.235 0.677 10.602 1.00 55.10 H new ATOM 0 HG LEU A 59 12.251 1.224 10.525 1.00 63.33 H new ATOM 0 HD11 LEU A 59 12.720 2.801 12.359 1.00 45.12 H new ATOM 0 HD12 LEU A 59 13.114 1.126 12.814 1.00 45.12 H new ATOM 0 HD13 LEU A 59 14.415 2.261 12.382 1.00 45.12 H new ATOM 0 HD21 LEU A 59 12.951 3.553 10.045 1.00 51.11 H new ATOM 0 HD22 LEU A 59 14.650 3.026 10.003 1.00 51.11 H new ATOM 0 HD23 LEU A 59 13.503 2.430 8.780 1.00 51.11 H new ATOM 884 N ASN A 60 15.369 -2.296 9.089 1.00 11.12 N ATOM 885 CA ASN A 60 16.532 -3.164 8.817 1.00 72.41 C ATOM 886 C ASN A 60 16.742 -3.494 7.341 1.00 32.10 C ATOM 887 O ASN A 60 17.850 -3.843 6.941 1.00 21.13 O ATOM 888 CB ASN A 60 16.579 -4.420 9.696 1.00 50.21 C ATOM 889 CG ASN A 60 16.909 -4.103 11.147 1.00 50.53 C ATOM 890 OD1 ASN A 60 18.079 -4.070 11.533 1.00 13.23 O ATOM 891 ND2 ASN A 60 15.912 -3.866 11.946 1.00 21.41 N ATOM 0 H ASN A 60 14.620 -2.739 9.621 1.00 11.12 H new ATOM 0 HA ASN A 60 17.384 -2.549 9.105 1.00 72.41 H new ATOM 0 HB2 ASN A 60 15.616 -4.929 9.648 1.00 50.21 H new ATOM 0 HB3 ASN A 60 17.324 -5.110 9.299 1.00 50.21 H new ATOM 0 HD21 ASN A 60 16.086 -3.644 12.926 1.00 21.41 H new ATOM 0 HD22 ASN A 60 14.956 -3.902 11.593 1.00 21.41 H new ATOM 898 N GLN A 61 15.695 -3.383 6.522 1.00 2.11 N ATOM 899 CA GLN A 61 15.867 -3.586 5.073 1.00 55.51 C ATOM 900 C GLN A 61 16.576 -2.388 4.442 1.00 40.25 C ATOM 901 O GLN A 61 17.147 -2.498 3.358 1.00 33.14 O ATOM 902 CB GLN A 61 14.538 -3.855 4.347 1.00 22.42 C ATOM 903 CG GLN A 61 13.850 -5.148 4.753 1.00 22.25 C ATOM 904 CD GLN A 61 12.599 -5.429 3.939 1.00 74.01 C ATOM 905 OE1 GLN A 61 12.667 -6.071 2.897 1.00 52.32 O ATOM 906 NE2 GLN A 61 11.460 -4.950 4.388 1.00 11.42 N ATOM 0 H GLN A 61 14.745 -3.161 6.819 1.00 2.11 H new ATOM 0 HA GLN A 61 16.484 -4.477 4.955 1.00 55.51 H new ATOM 0 HB2 GLN A 61 13.860 -3.023 4.536 1.00 22.42 H new ATOM 0 HB3 GLN A 61 14.723 -3.878 3.273 1.00 22.42 H new ATOM 0 HG2 GLN A 61 14.548 -5.977 4.637 1.00 22.25 H new ATOM 0 HG3 GLN A 61 13.587 -5.098 5.810 1.00 22.25 H new ATOM 0 HE21 GLN A 61 11.438 -4.420 5.259 1.00 11.42 H new ATOM 0 HE22 GLN A 61 10.599 -5.109 3.865 1.00 11.42 H new ATOM 915 N GLN A 62 16.550 -1.265 5.160 1.00 22.13 N ATOM 916 CA GLN A 62 17.141 -0.002 4.753 1.00 52.12 C ATOM 917 C GLN A 62 16.606 0.541 3.447 1.00 41.24 C ATOM 918 O GLN A 62 17.026 0.157 2.344 1.00 75.34 O ATOM 919 CB GLN A 62 18.651 -0.019 4.810 1.00 34.14 C ATOM 920 CG GLN A 62 19.164 -0.266 6.206 1.00 42.45 C ATOM 921 CD GLN A 62 20.669 -0.176 6.327 1.00 23.00 C ATOM 922 OE1 GLN A 62 21.409 -0.458 5.382 1.00 12.34 O ATOM 923 NE2 GLN A 62 21.132 0.204 7.488 1.00 14.11 N ATOM 0 H GLN A 62 16.099 -1.214 6.073 1.00 22.13 H new ATOM 0 HA GLN A 62 16.813 0.716 5.504 1.00 52.12 H new ATOM 0 HB2 GLN A 62 19.030 -0.793 4.143 1.00 34.14 H new ATOM 0 HB3 GLN A 62 19.038 0.933 4.445 1.00 34.14 H new ATOM 0 HG2 GLN A 62 18.710 0.458 6.883 1.00 42.45 H new ATOM 0 HG3 GLN A 62 18.841 -1.254 6.532 1.00 42.45 H new ATOM 0 HE21 GLN A 62 20.487 0.429 8.246 1.00 14.11 H new ATOM 0 HE22 GLN A 62 22.139 0.276 7.637 1.00 14.11 H new ATOM 932 N LYS A 63 15.669 1.428 3.576 1.00 72.33 N ATOM 933 CA LYS A 63 15.047 2.053 2.468 1.00 63.03 C ATOM 934 C LYS A 63 15.185 3.560 2.530 1.00 52.35 C ATOM 935 O LYS A 63 15.429 4.133 3.601 1.00 3.02 O ATOM 936 CB LYS A 63 13.596 1.585 2.351 1.00 21.52 C ATOM 937 CG LYS A 63 12.859 1.492 3.675 1.00 72.21 C ATOM 938 CD LYS A 63 12.850 2.807 4.405 1.00 43.12 C ATOM 939 CE LYS A 63 12.068 2.763 5.690 1.00 51.32 C ATOM 940 NZ LYS A 63 12.726 1.941 6.710 1.00 74.30 N ATOM 0 H LYS A 63 15.312 1.740 4.479 1.00 72.33 H new ATOM 0 HA LYS A 63 15.559 1.750 1.555 1.00 63.03 H new ATOM 0 HB2 LYS A 63 13.057 2.270 1.697 1.00 21.52 H new ATOM 0 HB3 LYS A 63 13.580 0.607 1.871 1.00 21.52 H new ATOM 0 HG2 LYS A 63 11.833 1.168 3.498 1.00 72.21 H new ATOM 0 HG3 LYS A 63 13.330 0.733 4.300 1.00 72.21 H new ATOM 0 HD2 LYS A 63 13.877 3.103 4.621 1.00 43.12 H new ATOM 0 HD3 LYS A 63 12.427 3.574 3.755 1.00 43.12 H new ATOM 0 HE2 LYS A 63 11.939 3.776 6.070 1.00 51.32 H new ATOM 0 HE3 LYS A 63 11.072 2.367 5.494 1.00 51.32 H new ATOM 0 HZ1 LYS A 63 12.152 1.939 7.578 1.00 74.30 H new ATOM 0 HZ2 LYS A 63 12.826 0.967 6.359 1.00 74.30 H new ATOM 0 HZ3 LYS A 63 13.667 2.333 6.918 1.00 74.30 H new ATOM 954 N LYS A 64 15.065 4.172 1.414 1.00 3.41 N ATOM 955 CA LYS A 64 15.178 5.595 1.284 1.00 33.52 C ATOM 956 C LYS A 64 14.075 6.128 0.433 1.00 71.11 C ATOM 957 O LYS A 64 13.311 5.347 -0.150 1.00 30.33 O ATOM 958 CB LYS A 64 16.491 5.936 0.664 1.00 60.13 C ATOM 959 CG LYS A 64 17.652 5.516 1.522 1.00 13.24 C ATOM 960 CD LYS A 64 18.915 5.911 0.895 1.00 73.34 C ATOM 961 CE LYS A 64 20.109 5.471 1.725 1.00 21.53 C ATOM 962 NZ LYS A 64 21.392 5.818 1.085 1.00 11.35 N ATOM 0 H LYS A 64 14.880 3.694 0.532 1.00 3.41 H new ATOM 0 HA LYS A 64 15.109 6.045 2.274 1.00 33.52 H new ATOM 0 HB2 LYS A 64 16.567 5.452 -0.310 1.00 60.13 H new ATOM 0 HB3 LYS A 64 16.540 7.011 0.490 1.00 60.13 H new ATOM 0 HG2 LYS A 64 17.569 5.973 2.508 1.00 13.24 H new ATOM 0 HG3 LYS A 64 17.633 4.436 1.669 1.00 13.24 H new ATOM 0 HD2 LYS A 64 18.981 5.473 -0.101 1.00 73.34 H new ATOM 0 HD3 LYS A 64 18.937 6.993 0.769 1.00 73.34 H new ATOM 0 HE2 LYS A 64 20.058 5.938 2.708 1.00 21.53 H new ATOM 0 HE3 LYS A 64 20.063 4.393 1.882 1.00 21.53 H new ATOM 0 HZ1 LYS A 64 22.178 5.499 1.687 1.00 11.35 H new ATOM 0 HZ2 LYS A 64 21.455 5.352 0.158 1.00 11.35 H new ATOM 0 HZ3 LYS A 64 21.449 6.849 0.959 1.00 11.35 H new ATOM 976 N SER A 65 13.975 7.444 0.367 1.00 62.14 N ATOM 977 CA SER A 65 12.985 8.125 -0.450 1.00 3.31 C ATOM 978 C SER A 65 13.011 7.594 -1.895 1.00 73.40 C ATOM 979 O SER A 65 14.061 7.637 -2.563 1.00 25.34 O ATOM 980 CB SER A 65 13.306 9.610 -0.467 1.00 22.41 C ATOM 981 OG SER A 65 13.398 10.146 0.845 1.00 54.03 O ATOM 0 H SER A 65 14.585 8.077 0.884 1.00 62.14 H new ATOM 0 HA SER A 65 11.996 7.947 -0.029 1.00 3.31 H new ATOM 0 HB2 SER A 65 14.247 9.772 -0.992 1.00 22.41 H new ATOM 0 HB3 SER A 65 12.534 10.142 -1.023 1.00 22.41 H new ATOM 0 HG SER A 65 13.606 9.427 1.478 1.00 54.03 H new ATOM 987 N GLY A 66 11.885 7.082 -2.358 1.00 31.32 N ATOM 988 CA GLY A 66 11.813 6.578 -3.707 1.00 55.54 C ATOM 989 C GLY A 66 11.919 5.071 -3.780 1.00 13.51 C ATOM 990 O GLY A 66 11.914 4.498 -4.862 1.00 74.04 O ATOM 0 H GLY A 66 11.020 7.007 -1.823 1.00 31.32 H new ATOM 0 HA2 GLY A 66 10.872 6.893 -4.157 1.00 55.54 H new ATOM 0 HA3 GLY A 66 12.614 7.022 -4.298 1.00 55.54 H new ATOM 994 N GLU A 67 12.005 4.437 -2.642 1.00 44.01 N ATOM 995 CA GLU A 67 12.071 2.998 -2.562 1.00 74.21 C ATOM 996 C GLU A 67 10.848 2.480 -1.858 1.00 23.43 C ATOM 997 O GLU A 67 10.119 3.243 -1.225 1.00 53.14 O ATOM 998 CB GLU A 67 13.317 2.513 -1.819 1.00 32.11 C ATOM 999 CG GLU A 67 14.636 2.868 -2.466 1.00 32.12 C ATOM 1000 CD GLU A 67 15.792 2.238 -1.739 1.00 71.45 C ATOM 1001 OE1 GLU A 67 16.079 1.047 -1.984 1.00 65.54 O ATOM 1002 OE2 GLU A 67 16.424 2.902 -0.907 1.00 43.30 O ATOM 0 H GLU A 67 12.032 4.905 -1.736 1.00 44.01 H new ATOM 0 HA GLU A 67 12.122 2.617 -3.582 1.00 74.21 H new ATOM 0 HB2 GLU A 67 13.303 2.928 -0.811 1.00 32.11 H new ATOM 0 HB3 GLU A 67 13.261 1.429 -1.719 1.00 32.11 H new ATOM 0 HG2 GLU A 67 14.634 2.537 -3.505 1.00 32.12 H new ATOM 0 HG3 GLU A 67 14.758 3.951 -2.477 1.00 32.12 H new ATOM 1009 N VAL A 68 10.598 1.221 -2.004 1.00 65.13 N ATOM 1010 CA VAL A 68 9.463 0.612 -1.376 1.00 1.12 C ATOM 1011 C VAL A 68 9.939 -0.498 -0.442 1.00 43.04 C ATOM 1012 O VAL A 68 10.946 -1.181 -0.721 1.00 71.32 O ATOM 1013 CB VAL A 68 8.460 0.023 -2.431 1.00 53.02 C ATOM 1014 CG1 VAL A 68 9.052 -1.165 -3.177 1.00 33.33 C ATOM 1015 CG2 VAL A 68 7.147 -0.363 -1.797 1.00 50.23 C ATOM 0 H VAL A 68 11.170 0.584 -2.559 1.00 65.13 H new ATOM 0 HA VAL A 68 8.935 1.380 -0.811 1.00 1.12 H new ATOM 0 HB VAL A 68 8.272 0.817 -3.154 1.00 53.02 H new ATOM 0 HG11 VAL A 68 8.325 -1.542 -3.897 1.00 33.33 H new ATOM 0 HG12 VAL A 68 9.954 -0.852 -3.702 1.00 33.33 H new ATOM 0 HG13 VAL A 68 9.301 -1.953 -2.467 1.00 33.33 H new ATOM 0 HG21 VAL A 68 6.480 -0.766 -2.559 1.00 50.23 H new ATOM 0 HG22 VAL A 68 7.321 -1.118 -1.031 1.00 50.23 H new ATOM 0 HG23 VAL A 68 6.690 0.516 -1.343 1.00 50.23 H new ATOM 1025 N ALA A 69 9.275 -0.625 0.668 1.00 4.41 N ATOM 1026 CA ALA A 69 9.524 -1.691 1.589 1.00 71.41 C ATOM 1027 C ALA A 69 8.321 -2.605 1.555 1.00 1.40 C ATOM 1028 O ALA A 69 7.188 -2.130 1.459 1.00 41.22 O ATOM 1029 CB ALA A 69 9.779 -1.152 2.986 1.00 32.22 C ATOM 0 H ALA A 69 8.538 0.016 0.962 1.00 4.41 H new ATOM 0 HA ALA A 69 10.420 -2.244 1.306 1.00 71.41 H new ATOM 0 HB1 ALA A 69 9.966 -1.982 3.668 1.00 32.22 H new ATOM 0 HB2 ALA A 69 10.648 -0.494 2.969 1.00 32.22 H new ATOM 0 HB3 ALA A 69 8.907 -0.593 3.325 1.00 32.22 H new ATOM 1035 N VAL A 70 8.543 -3.888 1.606 1.00 1.35 N ATOM 1036 CA VAL A 70 7.455 -4.836 1.455 1.00 31.24 C ATOM 1037 C VAL A 70 7.381 -5.758 2.666 1.00 75.20 C ATOM 1038 O VAL A 70 8.414 -6.124 3.238 1.00 24.43 O ATOM 1039 CB VAL A 70 7.640 -5.713 0.165 1.00 41.05 C ATOM 1040 CG1 VAL A 70 6.443 -6.621 -0.068 1.00 31.25 C ATOM 1041 CG2 VAL A 70 7.913 -4.860 -1.076 1.00 35.32 C ATOM 0 H VAL A 70 9.461 -4.309 1.750 1.00 1.35 H new ATOM 0 HA VAL A 70 6.533 -4.262 1.368 1.00 31.24 H new ATOM 0 HB VAL A 70 8.516 -6.338 0.337 1.00 41.05 H new ATOM 0 HG11 VAL A 70 6.605 -7.213 -0.969 1.00 31.25 H new ATOM 0 HG12 VAL A 70 6.319 -7.286 0.786 1.00 31.25 H new ATOM 0 HG13 VAL A 70 5.545 -6.015 -0.189 1.00 31.25 H new ATOM 0 HG21 VAL A 70 8.034 -5.508 -1.944 1.00 35.32 H new ATOM 0 HG22 VAL A 70 7.076 -4.183 -1.243 1.00 35.32 H new ATOM 0 HG23 VAL A 70 8.824 -4.281 -0.926 1.00 35.32 H new ATOM 1051 N LEU A 71 6.165 -6.091 3.067 1.00 41.30 N ATOM 1052 CA LEU A 71 5.925 -7.060 4.119 1.00 13.54 C ATOM 1053 C LEU A 71 4.954 -8.125 3.635 1.00 53.30 C ATOM 1054 O LEU A 71 4.009 -7.830 2.898 1.00 41.30 O ATOM 1055 CB LEU A 71 5.347 -6.420 5.401 1.00 54.02 C ATOM 1056 CG LEU A 71 6.225 -5.400 6.146 1.00 65.25 C ATOM 1057 CD1 LEU A 71 5.520 -4.929 7.410 1.00 74.42 C ATOM 1058 CD2 LEU A 71 7.582 -5.997 6.502 1.00 22.04 C ATOM 0 H LEU A 71 5.314 -5.694 2.669 1.00 41.30 H new ATOM 0 HA LEU A 71 6.893 -7.496 4.364 1.00 13.54 H new ATOM 0 HB2 LEU A 71 4.410 -5.928 5.138 1.00 54.02 H new ATOM 0 HB3 LEU A 71 5.101 -7.223 6.096 1.00 54.02 H new ATOM 0 HG LEU A 71 6.389 -4.549 5.484 1.00 65.25 H new ATOM 0 HD11 LEU A 71 6.150 -4.207 7.930 1.00 74.42 H new ATOM 0 HD12 LEU A 71 4.573 -4.460 7.145 1.00 74.42 H new ATOM 0 HD13 LEU A 71 5.332 -5.783 8.061 1.00 74.42 H new ATOM 0 HD21 LEU A 71 8.180 -5.253 7.028 1.00 22.04 H new ATOM 0 HD22 LEU A 71 7.440 -6.867 7.143 1.00 22.04 H new ATOM 0 HD23 LEU A 71 8.097 -6.299 5.590 1.00 22.04 H new ATOM 1070 N LYS A 72 5.203 -9.336 4.029 1.00 22.31 N ATOM 1071 CA LYS A 72 4.327 -10.454 3.774 1.00 61.33 C ATOM 1072 C LYS A 72 3.734 -10.845 5.094 1.00 14.22 C ATOM 1073 O LYS A 72 4.443 -10.916 6.089 1.00 23.41 O ATOM 1074 CB LYS A 72 5.126 -11.627 3.219 1.00 10.55 C ATOM 1075 CG LYS A 72 4.358 -12.939 3.015 1.00 12.42 C ATOM 1076 CD LYS A 72 3.332 -12.877 1.894 1.00 31.20 C ATOM 1077 CE LYS A 72 2.678 -14.238 1.714 1.00 10.22 C ATOM 1078 NZ LYS A 72 1.789 -14.315 0.527 1.00 71.11 N ATOM 0 H LYS A 72 6.042 -9.588 4.551 1.00 22.31 H new ATOM 0 HA LYS A 72 3.558 -10.187 3.049 1.00 61.33 H new ATOM 0 HB2 LYS A 72 5.552 -11.328 2.261 1.00 10.55 H new ATOM 0 HB3 LYS A 72 5.961 -11.821 3.892 1.00 10.55 H new ATOM 0 HG2 LYS A 72 5.069 -13.737 2.801 1.00 12.42 H new ATOM 0 HG3 LYS A 72 3.853 -13.203 3.944 1.00 12.42 H new ATOM 0 HD2 LYS A 72 2.575 -12.128 2.124 1.00 31.20 H new ATOM 0 HD3 LYS A 72 3.813 -12.570 0.966 1.00 31.20 H new ATOM 0 HE2 LYS A 72 3.455 -14.997 1.626 1.00 10.22 H new ATOM 0 HE3 LYS A 72 2.100 -14.476 2.607 1.00 10.22 H new ATOM 0 HZ1 LYS A 72 1.350 -15.257 0.483 1.00 71.11 H new ATOM 0 HZ2 LYS A 72 1.047 -13.590 0.602 1.00 71.11 H new ATOM 0 HZ3 LYS A 72 2.347 -14.152 -0.336 1.00 71.11 H new ATOM 1092 N ARG A 73 2.466 -11.085 5.126 1.00 21.00 N ATOM 1093 CA ARG A 73 1.838 -11.432 6.383 1.00 64.52 C ATOM 1094 C ARG A 73 1.272 -12.838 6.337 1.00 44.42 C ATOM 1095 O ARG A 73 1.928 -13.788 6.737 1.00 22.44 O ATOM 1096 CB ARG A 73 0.771 -10.397 6.777 1.00 72.32 C ATOM 1097 CG ARG A 73 0.118 -10.630 8.139 1.00 32.44 C ATOM 1098 CD ARG A 73 1.140 -10.583 9.263 1.00 61.23 C ATOM 1099 NE ARG A 73 0.513 -10.692 10.579 1.00 1.04 N ATOM 1100 CZ ARG A 73 1.179 -10.710 11.744 1.00 45.24 C ATOM 1101 NH1 ARG A 73 2.498 -10.633 11.758 1.00 63.42 N ATOM 1102 NH2 ARG A 73 0.519 -10.806 12.894 1.00 3.15 N ATOM 0 H ARG A 73 1.843 -11.052 4.319 1.00 21.00 H new ATOM 0 HA ARG A 73 2.603 -11.415 7.159 1.00 64.52 H new ATOM 0 HB2 ARG A 73 1.228 -9.407 6.774 1.00 72.32 H new ATOM 0 HB3 ARG A 73 -0.007 -10.391 6.014 1.00 72.32 H new ATOM 0 HG2 ARG A 73 -0.648 -9.874 8.311 1.00 32.44 H new ATOM 0 HG3 ARG A 73 -0.384 -11.598 8.142 1.00 32.44 H new ATOM 0 HD2 ARG A 73 1.857 -11.394 9.135 1.00 61.23 H new ATOM 0 HD3 ARG A 73 1.700 -9.650 9.205 1.00 61.23 H new ATOM 0 HE ARG A 73 -0.504 -10.759 10.614 1.00 1.04 H new ATOM 0 HH11 ARG A 73 3.014 -10.560 10.881 1.00 63.42 H new ATOM 0 HH12 ARG A 73 3.000 -10.647 12.646 1.00 63.42 H new ATOM 0 HH21 ARG A 73 -0.499 -10.866 12.894 1.00 3.15 H new ATOM 0 HH22 ARG A 73 1.031 -10.819 13.776 1.00 3.15 H new ATOM 1116 N ASP A 74 0.082 -12.966 5.816 1.00 11.33 N ATOM 1117 CA ASP A 74 -0.565 -14.256 5.690 1.00 53.23 C ATOM 1118 C ASP A 74 -0.683 -14.604 4.234 1.00 34.24 C ATOM 1119 O ASP A 74 -0.149 -15.607 3.775 1.00 1.30 O ATOM 1120 CB ASP A 74 -1.959 -14.228 6.339 1.00 2.11 C ATOM 1121 CG ASP A 74 -2.720 -15.528 6.169 1.00 71.45 C ATOM 1122 OD1 ASP A 74 -3.427 -15.690 5.156 1.00 22.21 O ATOM 1123 OD2 ASP A 74 -2.641 -16.399 7.052 1.00 43.33 O ATOM 0 H ASP A 74 -0.471 -12.184 5.465 1.00 11.33 H new ATOM 0 HA ASP A 74 0.034 -15.009 6.202 1.00 53.23 H new ATOM 0 HB2 ASP A 74 -1.854 -14.012 7.402 1.00 2.11 H new ATOM 0 HB3 ASP A 74 -2.540 -13.414 5.904 1.00 2.11 H new ATOM 1128 N GLY A 75 -1.357 -13.749 3.504 1.00 53.52 N ATOM 1129 CA GLY A 75 -1.559 -13.977 2.107 1.00 23.41 C ATOM 1130 C GLY A 75 -1.277 -12.759 1.261 1.00 62.35 C ATOM 1131 O GLY A 75 -0.799 -12.886 0.141 1.00 0.20 O ATOM 0 H GLY A 75 -1.773 -12.889 3.862 1.00 53.52 H new ATOM 0 HA2 GLY A 75 -0.916 -14.795 1.782 1.00 23.41 H new ATOM 0 HA3 GLY A 75 -2.588 -14.296 1.942 1.00 23.41 H new ATOM 1135 N ARG A 76 -1.493 -11.580 1.810 1.00 33.34 N ATOM 1136 CA ARG A 76 -1.368 -10.365 1.021 1.00 74.21 C ATOM 1137 C ARG A 76 -0.056 -9.676 1.366 1.00 11.02 C ATOM 1138 O ARG A 76 0.596 -10.017 2.373 1.00 40.22 O ATOM 1139 CB ARG A 76 -2.567 -9.416 1.272 1.00 32.00 C ATOM 1140 CG ARG A 76 -2.514 -8.673 2.596 1.00 22.10 C ATOM 1141 CD ARG A 76 -3.838 -8.026 2.967 1.00 63.13 C ATOM 1142 NE ARG A 76 -4.377 -7.093 1.962 1.00 14.13 N ATOM 1143 CZ ARG A 76 -5.233 -6.083 2.233 1.00 71.32 C ATOM 1144 NH1 ARG A 76 -5.621 -5.840 3.488 1.00 41.15 N ATOM 1145 NH2 ARG A 76 -5.708 -5.333 1.243 1.00 33.23 N ATOM 0 H ARG A 76 -1.753 -11.435 2.786 1.00 33.34 H new ATOM 0 HA ARG A 76 -1.371 -10.626 -0.037 1.00 74.21 H new ATOM 0 HB2 ARG A 76 -2.614 -8.688 0.462 1.00 32.00 H new ATOM 0 HB3 ARG A 76 -3.489 -9.997 1.232 1.00 32.00 H new ATOM 0 HG2 ARG A 76 -2.221 -9.367 3.384 1.00 22.10 H new ATOM 0 HG3 ARG A 76 -1.742 -7.905 2.545 1.00 22.10 H new ATOM 0 HD2 ARG A 76 -4.573 -8.812 3.143 1.00 63.13 H new ATOM 0 HD3 ARG A 76 -3.713 -7.490 3.908 1.00 63.13 H new ATOM 0 HE ARG A 76 -4.083 -7.218 0.993 1.00 14.13 H new ATOM 0 HH11 ARG A 76 -5.271 -6.419 4.251 1.00 41.15 H new ATOM 0 HH12 ARG A 76 -6.267 -5.075 3.683 1.00 41.15 H new ATOM 0 HH21 ARG A 76 -5.426 -5.520 0.281 1.00 33.23 H new ATOM 0 HH22 ARG A 76 -6.354 -4.570 1.446 1.00 33.23 H new ATOM 1159 N TYR A 77 0.329 -8.750 0.541 1.00 70.31 N ATOM 1160 CA TYR A 77 1.577 -8.029 0.711 1.00 3.55 C ATOM 1161 C TYR A 77 1.297 -6.609 1.105 1.00 41.14 C ATOM 1162 O TYR A 77 0.292 -6.026 0.684 1.00 53.42 O ATOM 1163 CB TYR A 77 2.424 -8.064 -0.572 1.00 45.11 C ATOM 1164 CG TYR A 77 2.870 -9.447 -0.964 1.00 40.01 C ATOM 1165 CD1 TYR A 77 4.058 -9.968 -0.480 1.00 12.13 C ATOM 1166 CD2 TYR A 77 2.098 -10.241 -1.800 1.00 32.53 C ATOM 1167 CE1 TYR A 77 4.468 -11.236 -0.822 1.00 41.52 C ATOM 1168 CE2 TYR A 77 2.497 -11.512 -2.142 1.00 43.30 C ATOM 1169 CZ TYR A 77 3.682 -12.006 -1.649 1.00 54.21 C ATOM 1170 OH TYR A 77 4.077 -13.281 -1.970 1.00 64.32 O ATOM 0 H TYR A 77 -0.209 -8.464 -0.277 1.00 70.31 H new ATOM 0 HA TYR A 77 2.146 -8.519 1.501 1.00 3.55 H new ATOM 0 HB2 TYR A 77 1.847 -7.632 -1.390 1.00 45.11 H new ATOM 0 HB3 TYR A 77 3.303 -7.434 -0.434 1.00 45.11 H new ATOM 0 HD1 TYR A 77 4.672 -9.370 0.176 1.00 12.13 H new ATOM 0 HD2 TYR A 77 1.168 -9.854 -2.189 1.00 32.53 H new ATOM 0 HE1 TYR A 77 5.402 -11.625 -0.444 1.00 41.52 H new ATOM 0 HE2 TYR A 77 1.884 -12.118 -2.793 1.00 43.30 H new ATOM 0 HH TYR A 77 3.412 -13.690 -2.561 1.00 64.32 H new ATOM 1180 N ILE A 78 2.150 -6.060 1.918 1.00 2.32 N ATOM 1181 CA ILE A 78 1.987 -4.715 2.371 1.00 40.41 C ATOM 1182 C ILE A 78 3.124 -3.885 1.784 1.00 61.15 C ATOM 1183 O ILE A 78 4.295 -4.220 1.967 1.00 23.54 O ATOM 1184 CB ILE A 78 2.074 -4.621 3.920 1.00 5.42 C ATOM 1185 CG1 ILE A 78 1.287 -5.756 4.610 1.00 2.54 C ATOM 1186 CG2 ILE A 78 1.524 -3.279 4.371 1.00 41.01 C ATOM 1187 CD1 ILE A 78 -0.187 -5.786 4.296 1.00 64.24 C ATOM 0 H ILE A 78 2.976 -6.533 2.284 1.00 2.32 H new ATOM 0 HA ILE A 78 1.008 -4.355 2.056 1.00 40.41 H new ATOM 0 HB ILE A 78 3.121 -4.720 4.205 1.00 5.42 H new ATOM 0 HG12 ILE A 78 1.725 -6.711 4.320 1.00 2.54 H new ATOM 0 HG13 ILE A 78 1.412 -5.662 5.689 1.00 2.54 H new ATOM 0 HG21 ILE A 78 1.583 -3.208 5.457 1.00 41.01 H new ATOM 0 HG22 ILE A 78 2.110 -2.476 3.923 1.00 41.01 H new ATOM 0 HG23 ILE A 78 0.484 -3.188 4.057 1.00 41.01 H new ATOM 0 HD11 ILE A 78 -0.655 -6.616 4.825 1.00 64.24 H new ATOM 0 HD12 ILE A 78 -0.646 -4.849 4.613 1.00 64.24 H new ATOM 0 HD13 ILE A 78 -0.328 -5.914 3.223 1.00 64.24 H new ATOM 1199 N TYR A 79 2.785 -2.849 1.077 1.00 42.42 N ATOM 1200 CA TYR A 79 3.758 -1.986 0.460 1.00 4.25 C ATOM 1201 C TYR A 79 3.883 -0.685 1.180 1.00 32.13 C ATOM 1202 O TYR A 79 2.895 0.041 1.401 1.00 11.11 O ATOM 1203 CB TYR A 79 3.442 -1.746 -1.007 1.00 43.30 C ATOM 1204 CG TYR A 79 3.543 -2.982 -1.833 1.00 52.11 C ATOM 1205 CD1 TYR A 79 2.469 -3.841 -1.970 1.00 54.43 C ATOM 1206 CD2 TYR A 79 4.725 -3.300 -2.465 1.00 24.00 C ATOM 1207 CE1 TYR A 79 2.578 -4.989 -2.708 1.00 5.22 C ATOM 1208 CE2 TYR A 79 4.842 -4.435 -3.210 1.00 41.52 C ATOM 1209 CZ TYR A 79 3.771 -5.283 -3.330 1.00 31.12 C ATOM 1210 OH TYR A 79 3.908 -6.441 -4.064 1.00 24.12 O ATOM 0 H TYR A 79 1.818 -2.573 0.908 1.00 42.42 H new ATOM 0 HA TYR A 79 4.716 -2.501 0.525 1.00 4.25 H new ATOM 0 HB2 TYR A 79 2.435 -1.338 -1.094 1.00 43.30 H new ATOM 0 HB3 TYR A 79 4.125 -0.994 -1.402 1.00 43.30 H new ATOM 0 HD1 TYR A 79 1.532 -3.604 -1.489 1.00 54.43 H new ATOM 0 HD2 TYR A 79 5.573 -2.639 -2.368 1.00 24.00 H new ATOM 0 HE1 TYR A 79 1.736 -5.658 -2.802 1.00 5.22 H new ATOM 0 HE2 TYR A 79 5.774 -4.666 -3.704 1.00 41.52 H new ATOM 0 HH TYR A 79 4.705 -6.926 -3.764 1.00 24.12 H new ATOM 1220 N TYR A 80 5.075 -0.400 1.559 1.00 71.11 N ATOM 1221 CA TYR A 80 5.406 0.810 2.206 1.00 1.51 C ATOM 1222 C TYR A 80 6.222 1.658 1.271 1.00 70.52 C ATOM 1223 O TYR A 80 7.418 1.423 1.080 1.00 75.55 O ATOM 1224 CB TYR A 80 6.167 0.535 3.488 1.00 41.33 C ATOM 1225 CG TYR A 80 5.365 -0.195 4.538 1.00 71.22 C ATOM 1226 CD1 TYR A 80 5.261 -1.571 4.530 1.00 41.32 C ATOM 1227 CD2 TYR A 80 4.717 0.503 5.535 1.00 32.44 C ATOM 1228 CE1 TYR A 80 4.534 -2.228 5.490 1.00 25.34 C ATOM 1229 CE2 TYR A 80 3.988 -0.143 6.504 1.00 23.25 C ATOM 1230 CZ TYR A 80 3.898 -1.510 6.477 1.00 24.14 C ATOM 1231 OH TYR A 80 3.162 -2.163 7.434 1.00 73.51 O ATOM 0 H TYR A 80 5.870 -1.024 1.422 1.00 71.11 H new ATOM 0 HA TYR A 80 4.493 1.344 2.470 1.00 1.51 H new ATOM 0 HB2 TYR A 80 7.055 -0.052 3.252 1.00 41.33 H new ATOM 0 HB3 TYR A 80 6.512 1.482 3.903 1.00 41.33 H new ATOM 0 HD1 TYR A 80 5.759 -2.138 3.757 1.00 41.32 H new ATOM 0 HD2 TYR A 80 4.784 1.581 5.555 1.00 32.44 H new ATOM 0 HE1 TYR A 80 4.461 -3.305 5.471 1.00 25.34 H new ATOM 0 HE2 TYR A 80 3.491 0.421 7.279 1.00 23.25 H new ATOM 0 HH TYR A 80 3.430 -1.850 8.323 1.00 73.51 H new ATOM 1241 N LEU A 81 5.563 2.588 0.657 1.00 2.15 N ATOM 1242 CA LEU A 81 6.166 3.487 -0.286 1.00 64.52 C ATOM 1243 C LEU A 81 6.888 4.564 0.485 1.00 13.30 C ATOM 1244 O LEU A 81 6.269 5.269 1.281 1.00 61.22 O ATOM 1245 CB LEU A 81 5.052 4.132 -1.133 1.00 61.20 C ATOM 1246 CG LEU A 81 4.126 3.177 -1.905 1.00 42.51 C ATOM 1247 CD1 LEU A 81 3.051 3.958 -2.631 1.00 10.14 C ATOM 1248 CD2 LEU A 81 4.915 2.325 -2.886 1.00 25.30 C ATOM 0 H LEU A 81 4.566 2.751 0.798 1.00 2.15 H new ATOM 0 HA LEU A 81 6.863 2.956 -0.934 1.00 64.52 H new ATOM 0 HB2 LEU A 81 4.436 4.744 -0.474 1.00 61.20 H new ATOM 0 HB3 LEU A 81 5.519 4.807 -1.851 1.00 61.20 H new ATOM 0 HG LEU A 81 3.651 2.511 -1.185 1.00 42.51 H new ATOM 0 HD11 LEU A 81 2.404 3.269 -3.173 1.00 10.14 H new ATOM 0 HD12 LEU A 81 2.459 4.520 -1.909 1.00 10.14 H new ATOM 0 HD13 LEU A 81 3.516 4.648 -3.335 1.00 10.14 H new ATOM 0 HD21 LEU A 81 4.236 1.659 -3.418 1.00 25.30 H new ATOM 0 HD22 LEU A 81 5.424 2.971 -3.601 1.00 25.30 H new ATOM 0 HD23 LEU A 81 5.652 1.733 -2.343 1.00 25.30 H new ATOM 1260 N ILE A 82 8.178 4.684 0.301 1.00 30.50 N ATOM 1261 CA ILE A 82 8.903 5.721 0.990 1.00 74.23 C ATOM 1262 C ILE A 82 8.778 6.985 0.180 1.00 42.32 C ATOM 1263 O ILE A 82 9.438 7.146 -0.863 1.00 44.52 O ATOM 1264 CB ILE A 82 10.385 5.402 1.154 1.00 42.04 C ATOM 1265 CG1 ILE A 82 10.603 4.002 1.747 1.00 62.12 C ATOM 1266 CG2 ILE A 82 11.017 6.447 2.051 1.00 11.23 C ATOM 1267 CD1 ILE A 82 10.029 3.781 3.126 1.00 14.23 C ATOM 0 H ILE A 82 8.740 4.089 -0.308 1.00 30.50 H new ATOM 0 HA ILE A 82 8.479 5.820 1.989 1.00 74.23 H new ATOM 0 HB ILE A 82 10.852 5.416 0.169 1.00 42.04 H new ATOM 0 HG12 ILE A 82 10.167 3.268 1.069 1.00 62.12 H new ATOM 0 HG13 ILE A 82 11.674 3.805 1.783 1.00 62.12 H new ATOM 0 HG21 ILE A 82 12.077 6.227 2.174 1.00 11.23 H new ATOM 0 HG22 ILE A 82 10.901 7.432 1.600 1.00 11.23 H new ATOM 0 HG23 ILE A 82 10.528 6.434 3.025 1.00 11.23 H new ATOM 0 HD11 ILE A 82 10.239 2.761 3.449 1.00 14.23 H new ATOM 0 HD12 ILE A 82 10.482 4.484 3.825 1.00 14.23 H new ATOM 0 HD13 ILE A 82 8.951 3.938 3.101 1.00 14.23 H new ATOM 1279 N THR A 83 7.933 7.854 0.617 1.00 63.42 N ATOM 1280 CA THR A 83 7.624 9.006 -0.126 1.00 53.10 C ATOM 1281 C THR A 83 8.207 10.292 0.521 1.00 13.22 C ATOM 1282 O THR A 83 8.411 11.300 -0.165 1.00 51.32 O ATOM 1283 CB THR A 83 6.107 9.087 -0.225 1.00 54.14 C ATOM 1284 OG1 THR A 83 5.617 7.771 -0.519 1.00 4.44 O ATOM 1285 CG2 THR A 83 5.712 9.957 -1.361 1.00 0.43 C ATOM 0 H THR A 83 7.439 7.776 1.506 1.00 63.42 H new ATOM 0 HA THR A 83 8.075 8.937 -1.116 1.00 53.10 H new ATOM 0 HB THR A 83 5.706 9.483 0.708 1.00 54.14 H new ATOM 0 HG1 THR A 83 4.715 7.835 -0.896 1.00 4.44 H new ATOM 0 HG21 THR A 83 4.625 10.006 -1.421 1.00 0.43 H new ATOM 0 HG22 THR A 83 6.113 10.959 -1.208 1.00 0.43 H new ATOM 0 HG23 THR A 83 6.108 9.545 -2.289 1.00 0.43 H new ATOM 1293 N LYS A 84 8.488 10.248 1.826 1.00 73.15 N ATOM 1294 CA LYS A 84 9.021 11.356 2.522 1.00 4.23 C ATOM 1295 C LYS A 84 10.109 10.828 3.435 1.00 44.14 C ATOM 1296 O LYS A 84 10.042 9.680 3.851 1.00 23.20 O ATOM 1297 CB LYS A 84 7.889 12.059 3.305 1.00 61.12 C ATOM 1298 CG LYS A 84 7.130 11.152 4.279 1.00 15.24 C ATOM 1299 CD LYS A 84 5.981 11.894 4.953 1.00 3.41 C ATOM 1300 CE LYS A 84 5.224 10.992 5.920 1.00 22.51 C ATOM 1301 NZ LYS A 84 4.083 11.696 6.553 1.00 13.31 N ATOM 0 H LYS A 84 8.341 9.423 2.407 1.00 73.15 H new ATOM 0 HA LYS A 84 9.449 12.097 1.848 1.00 4.23 H new ATOM 0 HB2 LYS A 84 8.314 12.894 3.862 1.00 61.12 H new ATOM 0 HB3 LYS A 84 7.179 12.480 2.593 1.00 61.12 H new ATOM 0 HG2 LYS A 84 6.741 10.286 3.743 1.00 15.24 H new ATOM 0 HG3 LYS A 84 7.816 10.776 5.038 1.00 15.24 H new ATOM 0 HD2 LYS A 84 6.370 12.759 5.490 1.00 3.41 H new ATOM 0 HD3 LYS A 84 5.296 12.272 4.194 1.00 3.41 H new ATOM 0 HE2 LYS A 84 4.859 10.114 5.387 1.00 22.51 H new ATOM 0 HE3 LYS A 84 5.905 10.636 6.693 1.00 22.51 H new ATOM 0 HZ1 LYS A 84 3.450 11.001 6.998 1.00 13.31 H new ATOM 0 HZ2 LYS A 84 4.439 12.353 7.277 1.00 13.31 H new ATOM 0 HZ3 LYS A 84 3.559 12.229 5.829 1.00 13.31 H new ATOM 1315 N LYS A 85 11.122 11.619 3.704 1.00 53.15 N ATOM 1316 CA LYS A 85 12.212 11.151 4.562 1.00 54.24 C ATOM 1317 C LYS A 85 11.765 11.068 6.009 1.00 12.11 C ATOM 1318 O LYS A 85 11.733 9.999 6.602 1.00 44.10 O ATOM 1319 CB LYS A 85 13.444 12.043 4.447 1.00 72.54 C ATOM 1320 CG LYS A 85 13.967 12.154 3.047 1.00 64.02 C ATOM 1321 CD LYS A 85 15.294 12.858 2.980 1.00 23.24 C ATOM 1322 CE LYS A 85 15.788 12.907 1.549 1.00 65.20 C ATOM 1323 NZ LYS A 85 15.874 11.555 0.953 1.00 21.52 N ATOM 0 H LYS A 85 11.224 12.572 3.355 1.00 53.15 H new ATOM 0 HA LYS A 85 12.484 10.153 4.218 1.00 54.24 H new ATOM 0 HB2 LYS A 85 13.199 13.039 4.816 1.00 72.54 H new ATOM 0 HB3 LYS A 85 14.230 11.649 5.091 1.00 72.54 H new ATOM 0 HG2 LYS A 85 14.067 11.156 2.620 1.00 64.02 H new ATOM 0 HG3 LYS A 85 13.243 12.691 2.434 1.00 64.02 H new ATOM 0 HD2 LYS A 85 15.198 13.870 3.374 1.00 23.24 H new ATOM 0 HD3 LYS A 85 16.021 12.340 3.606 1.00 23.24 H new ATOM 0 HE2 LYS A 85 15.117 13.525 0.953 1.00 65.20 H new ATOM 0 HE3 LYS A 85 16.769 13.381 1.519 1.00 65.20 H new ATOM 0 HZ1 LYS A 85 16.341 11.613 0.026 1.00 21.52 H new ATOM 0 HZ2 LYS A 85 16.425 10.934 1.580 1.00 21.52 H new ATOM 0 HZ3 LYS A 85 14.917 11.166 0.834 1.00 21.52 H new ATOM 1337 N ARG A 86 11.418 12.203 6.555 1.00 4.12 N ATOM 1338 CA ARG A 86 10.934 12.288 7.915 1.00 72.13 C ATOM 1339 C ARG A 86 9.432 12.257 7.898 1.00 23.02 C ATOM 1340 O ARG A 86 8.818 12.538 6.867 1.00 52.43 O ATOM 1341 CB ARG A 86 11.411 13.590 8.572 1.00 44.03 C ATOM 1342 CG ARG A 86 12.913 13.727 8.676 1.00 75.02 C ATOM 1343 CD ARG A 86 13.476 12.630 9.516 1.00 2.42 C ATOM 1344 NE ARG A 86 14.918 12.682 9.626 1.00 3.04 N ATOM 1345 CZ ARG A 86 15.650 11.727 10.175 1.00 35.00 C ATOM 1346 NH1 ARG A 86 15.055 10.634 10.677 1.00 51.44 N ATOM 1347 NH2 ARG A 86 16.974 11.849 10.214 1.00 70.23 N ATOM 0 H ARG A 86 11.462 13.100 6.071 1.00 4.12 H new ATOM 0 HA ARG A 86 11.322 11.446 8.488 1.00 72.13 H new ATOM 0 HB2 ARG A 86 11.021 14.433 8.003 1.00 44.03 H new ATOM 0 HB3 ARG A 86 10.983 13.655 9.572 1.00 44.03 H new ATOM 0 HG2 ARG A 86 13.357 13.697 7.681 1.00 75.02 H new ATOM 0 HG3 ARG A 86 13.168 14.694 9.110 1.00 75.02 H new ATOM 0 HD2 ARG A 86 13.039 12.684 10.513 1.00 2.42 H new ATOM 0 HD3 ARG A 86 13.184 11.669 9.092 1.00 2.42 H new ATOM 0 HE ARG A 86 15.398 13.503 9.259 1.00 3.04 H new ATOM 0 HH11 ARG A 86 14.040 10.541 10.635 1.00 51.44 H new ATOM 0 HH12 ARG A 86 15.618 9.896 11.101 1.00 51.44 H new ATOM 0 HH21 ARG A 86 17.422 12.677 9.821 1.00 70.23 H new ATOM 0 HH22 ARG A 86 17.542 11.114 10.637 1.00 70.23 H new ATOM 1361 N ALA A 87 8.837 11.941 9.021 1.00 55.52 N ATOM 1362 CA ALA A 87 7.392 11.875 9.141 1.00 21.14 C ATOM 1363 C ALA A 87 6.746 13.243 8.875 1.00 63.34 C ATOM 1364 O ALA A 87 5.612 13.323 8.409 1.00 35.34 O ATOM 1365 CB ALA A 87 7.003 11.343 10.508 1.00 64.22 C ATOM 0 H ALA A 87 9.337 11.721 9.882 1.00 55.52 H new ATOM 0 HA ALA A 87 7.018 11.187 8.383 1.00 21.14 H new ATOM 0 HB1 ALA A 87 5.917 11.298 10.585 1.00 64.22 H new ATOM 0 HB2 ALA A 87 7.418 10.344 10.641 1.00 64.22 H new ATOM 0 HB3 ALA A 87 7.395 12.004 11.281 1.00 64.22 H new ATOM 1371 N SER A 88 7.488 14.303 9.154 1.00 5.24 N ATOM 1372 CA SER A 88 7.021 15.653 8.926 1.00 71.41 C ATOM 1373 C SER A 88 7.528 16.182 7.548 1.00 30.25 C ATOM 1374 O SER A 88 7.453 17.372 7.255 1.00 64.34 O ATOM 1375 CB SER A 88 7.497 16.553 10.087 1.00 51.44 C ATOM 1376 OG SER A 88 6.946 17.866 10.032 1.00 43.10 O ATOM 0 H SER A 88 8.429 14.247 9.544 1.00 5.24 H new ATOM 0 HA SER A 88 5.931 15.666 8.896 1.00 71.41 H new ATOM 0 HB2 SER A 88 7.224 16.089 11.035 1.00 51.44 H new ATOM 0 HB3 SER A 88 8.585 16.620 10.066 1.00 51.44 H new ATOM 0 HG SER A 88 7.021 18.214 9.119 1.00 43.10 H new ATOM 1382 N HIS A 89 8.032 15.289 6.702 1.00 33.21 N ATOM 1383 CA HIS A 89 8.471 15.696 5.363 1.00 31.12 C ATOM 1384 C HIS A 89 7.353 15.761 4.397 1.00 24.52 C ATOM 1385 O HIS A 89 6.284 15.197 4.619 1.00 24.24 O ATOM 1386 CB HIS A 89 9.611 14.838 4.787 1.00 1.22 C ATOM 1387 CG HIS A 89 10.969 15.337 5.150 1.00 3.52 C ATOM 1388 ND1 HIS A 89 11.408 15.939 6.259 1.00 0.14 N flip ATOM 1389 CD2 HIS A 89 12.070 15.209 4.333 1.00 62.02 C flip ATOM 1390 CE1 HIS A 89 12.748 16.154 6.111 1.00 5.00 C flip ATOM 1391 NE2 HIS A 89 13.124 15.702 4.946 1.00 51.13 N flip ATOM 0 H HIS A 89 8.147 14.297 6.909 1.00 33.21 H new ATOM 0 HA HIS A 89 8.870 16.700 5.508 1.00 31.12 H new ATOM 0 HB2 HIS A 89 9.501 13.814 5.144 1.00 1.22 H new ATOM 0 HB3 HIS A 89 9.521 14.809 3.701 1.00 1.22 H new ATOM 0 HD2 HIS A 89 12.068 14.773 3.345 1.00 62.02 H new ATOM 0 HE1 HIS A 89 13.393 16.622 6.840 1.00 5.00 H new ATOM 0 HE2 HIS A 89 14.073 15.727 4.574 1.00 51.13 H new ATOM 1400 N LYS A 90 7.599 16.456 3.343 1.00 11.12 N ATOM 1401 CA LYS A 90 6.653 16.582 2.272 1.00 32.54 C ATOM 1402 C LYS A 90 6.898 15.477 1.261 1.00 63.33 C ATOM 1403 O LYS A 90 8.066 15.193 0.916 1.00 12.03 O ATOM 1404 CB LYS A 90 6.799 17.936 1.568 1.00 5.21 C ATOM 1405 CG LYS A 90 6.574 19.153 2.448 1.00 20.12 C ATOM 1406 CD LYS A 90 6.740 20.429 1.638 1.00 65.01 C ATOM 1407 CE LYS A 90 6.530 21.672 2.482 1.00 23.34 C ATOM 1408 NZ LYS A 90 6.674 22.906 1.682 1.00 33.53 N ATOM 0 H LYS A 90 8.471 16.962 3.191 1.00 11.12 H new ATOM 0 HA LYS A 90 5.648 16.508 2.688 1.00 32.54 H new ATOM 0 HB2 LYS A 90 7.799 17.998 1.139 1.00 5.21 H new ATOM 0 HB3 LYS A 90 6.094 17.973 0.738 1.00 5.21 H new ATOM 0 HG2 LYS A 90 5.574 19.117 2.881 1.00 20.12 H new ATOM 0 HG3 LYS A 90 7.281 19.146 3.277 1.00 20.12 H new ATOM 0 HD2 LYS A 90 7.738 20.453 1.200 1.00 65.01 H new ATOM 0 HD3 LYS A 90 6.029 20.428 0.811 1.00 65.01 H new ATOM 0 HE2 LYS A 90 5.537 21.643 2.931 1.00 23.34 H new ATOM 0 HE3 LYS A 90 7.250 21.682 3.300 1.00 23.34 H new ATOM 0 HZ1 LYS A 90 6.524 23.735 2.292 1.00 33.53 H new ATOM 0 HZ2 LYS A 90 7.630 22.945 1.274 1.00 33.53 H new ATOM 0 HZ3 LYS A 90 5.970 22.908 0.916 1.00 33.53 H new ATOM 1422 N PRO A 91 5.834 14.817 0.802 1.00 12.31 N ATOM 1423 CA PRO A 91 5.937 13.817 -0.248 1.00 75.51 C ATOM 1424 C PRO A 91 6.209 14.501 -1.589 1.00 32.12 C ATOM 1425 O PRO A 91 5.654 15.561 -1.870 1.00 42.14 O ATOM 1426 CB PRO A 91 4.550 13.153 -0.250 1.00 52.21 C ATOM 1427 CG PRO A 91 3.629 14.186 0.309 1.00 41.43 C ATOM 1428 CD PRO A 91 4.442 14.995 1.275 1.00 53.14 C ATOM 0 HA PRO A 91 6.745 13.102 -0.090 1.00 75.51 H new ATOM 0 HB2 PRO A 91 4.253 12.862 -1.258 1.00 52.21 H new ATOM 0 HB3 PRO A 91 4.544 12.248 0.358 1.00 52.21 H new ATOM 0 HG2 PRO A 91 3.225 14.817 -0.483 1.00 41.43 H new ATOM 0 HG3 PRO A 91 2.780 13.720 0.810 1.00 41.43 H new ATOM 0 HD2 PRO A 91 4.147 16.044 1.265 1.00 53.14 H new ATOM 0 HD3 PRO A 91 4.319 14.639 2.298 1.00 53.14 H new ATOM 1436 N THR A 92 7.061 13.936 -2.390 1.00 4.12 N ATOM 1437 CA THR A 92 7.381 14.535 -3.639 1.00 43.22 C ATOM 1438 C THR A 92 6.889 13.703 -4.785 1.00 25.14 C ATOM 1439 O THR A 92 6.750 12.491 -4.649 1.00 63.21 O ATOM 1440 CB THR A 92 8.891 14.773 -3.741 1.00 73.10 C ATOM 1441 OG1 THR A 92 9.599 13.644 -3.222 1.00 64.21 O ATOM 1442 CG2 THR A 92 9.301 16.044 -3.018 1.00 4.03 C ATOM 0 H THR A 92 7.545 13.059 -2.196 1.00 4.12 H new ATOM 0 HA THR A 92 6.874 15.498 -3.695 1.00 43.22 H new ATOM 0 HB THR A 92 9.147 14.898 -4.793 1.00 73.10 H new ATOM 0 HG1 THR A 92 10.188 13.280 -3.916 1.00 64.21 H new ATOM 0 HG21 THR A 92 10.378 16.183 -3.110 1.00 4.03 H new ATOM 0 HG22 THR A 92 8.786 16.897 -3.460 1.00 4.03 H new ATOM 0 HG23 THR A 92 9.034 15.966 -1.964 1.00 4.03 H new ATOM 1450 N TYR A 93 6.629 14.343 -5.916 1.00 3.22 N ATOM 1451 CA TYR A 93 6.158 13.645 -7.093 1.00 0.11 C ATOM 1452 C TYR A 93 7.171 12.631 -7.587 1.00 23.20 C ATOM 1453 O TYR A 93 6.811 11.502 -7.906 1.00 64.02 O ATOM 1454 CB TYR A 93 5.786 14.599 -8.230 1.00 11.24 C ATOM 1455 CG TYR A 93 4.582 15.484 -7.984 1.00 54.53 C ATOM 1456 CD1 TYR A 93 3.353 14.938 -7.638 1.00 10.24 C ATOM 1457 CD2 TYR A 93 4.665 16.860 -8.127 1.00 13.31 C ATOM 1458 CE1 TYR A 93 2.253 15.735 -7.440 1.00 64.11 C ATOM 1459 CE2 TYR A 93 3.561 17.661 -7.938 1.00 51.40 C ATOM 1460 CZ TYR A 93 2.361 17.092 -7.595 1.00 14.12 C ATOM 1461 OH TYR A 93 1.257 17.885 -7.420 1.00 33.53 O ATOM 0 H TYR A 93 6.738 15.350 -6.039 1.00 3.22 H new ATOM 0 HA TYR A 93 5.254 13.119 -6.785 1.00 0.11 H new ATOM 0 HB2 TYR A 93 6.645 15.237 -8.439 1.00 11.24 H new ATOM 0 HB3 TYR A 93 5.602 14.009 -9.128 1.00 11.24 H new ATOM 0 HD1 TYR A 93 3.261 13.868 -7.523 1.00 10.24 H new ATOM 0 HD2 TYR A 93 5.610 17.311 -8.391 1.00 13.31 H new ATOM 0 HE1 TYR A 93 1.307 15.294 -7.163 1.00 64.11 H new ATOM 0 HE2 TYR A 93 3.640 18.731 -8.059 1.00 51.40 H new ATOM 0 HH TYR A 93 1.502 18.823 -7.565 1.00 33.53 H new ATOM 1471 N GLU A 94 8.435 13.029 -7.635 1.00 24.10 N ATOM 1472 CA GLU A 94 9.484 12.155 -8.084 1.00 52.11 C ATOM 1473 C GLU A 94 9.574 10.938 -7.176 1.00 44.13 C ATOM 1474 O GLU A 94 9.579 9.809 -7.640 1.00 71.11 O ATOM 1475 CB GLU A 94 10.819 12.872 -8.092 1.00 32.13 C ATOM 1476 CG GLU A 94 11.932 12.005 -8.604 1.00 75.45 C ATOM 1477 CD GLU A 94 13.274 12.635 -8.473 1.00 71.22 C ATOM 1478 OE1 GLU A 94 13.885 12.514 -7.396 1.00 24.43 O ATOM 1479 OE2 GLU A 94 13.746 13.255 -9.446 1.00 61.14 O ATOM 0 H GLU A 94 8.750 13.961 -7.364 1.00 24.10 H new ATOM 0 HA GLU A 94 9.248 11.839 -9.100 1.00 52.11 H new ATOM 0 HB2 GLU A 94 10.744 13.766 -8.711 1.00 32.13 H new ATOM 0 HB3 GLU A 94 11.056 13.204 -7.081 1.00 32.13 H new ATOM 0 HG2 GLU A 94 11.927 11.060 -8.061 1.00 75.45 H new ATOM 0 HG3 GLU A 94 11.748 11.771 -9.653 1.00 75.45 H new ATOM 1486 N ASN A 95 9.629 11.179 -5.882 1.00 22.42 N ATOM 1487 CA ASN A 95 9.716 10.098 -4.921 1.00 1.55 C ATOM 1488 C ASN A 95 8.504 9.220 -4.946 1.00 44.35 C ATOM 1489 O ASN A 95 8.627 7.993 -4.896 1.00 62.45 O ATOM 1490 CB ASN A 95 10.017 10.595 -3.512 1.00 3.34 C ATOM 1491 CG ASN A 95 11.468 10.974 -3.328 1.00 54.34 C ATOM 1492 OD1 ASN A 95 12.357 10.431 -3.983 1.00 75.22 O ATOM 1493 ND2 ASN A 95 11.725 11.873 -2.426 1.00 54.43 N ATOM 0 H ASN A 95 9.615 12.113 -5.472 1.00 22.42 H new ATOM 0 HA ASN A 95 10.564 9.486 -5.229 1.00 1.55 H new ATOM 0 HB2 ASN A 95 9.389 11.459 -3.293 1.00 3.34 H new ATOM 0 HB3 ASN A 95 9.754 9.819 -2.793 1.00 3.34 H new ATOM 0 HD21 ASN A 95 12.689 12.150 -2.242 1.00 54.43 H new ATOM 0 HD22 ASN A 95 10.962 12.302 -1.902 1.00 54.43 H new ATOM 1500 N LEU A 96 7.335 9.831 -5.038 1.00 74.10 N ATOM 1501 CA LEU A 96 6.104 9.080 -5.129 1.00 43.21 C ATOM 1502 C LEU A 96 6.097 8.168 -6.364 1.00 3.43 C ATOM 1503 O LEU A 96 5.860 6.972 -6.237 1.00 54.14 O ATOM 1504 CB LEU A 96 4.895 10.016 -5.137 1.00 11.03 C ATOM 1505 CG LEU A 96 3.512 9.357 -5.151 1.00 54.30 C ATOM 1506 CD1 LEU A 96 3.311 8.480 -3.919 1.00 4.43 C ATOM 1507 CD2 LEU A 96 2.437 10.420 -5.218 1.00 52.13 C ATOM 0 H LEU A 96 7.217 10.844 -5.051 1.00 74.10 H new ATOM 0 HA LEU A 96 6.037 8.444 -4.246 1.00 43.21 H new ATOM 0 HB2 LEU A 96 4.957 10.658 -4.258 1.00 11.03 H new ATOM 0 HB3 LEU A 96 4.972 10.663 -6.011 1.00 11.03 H new ATOM 0 HG LEU A 96 3.443 8.720 -6.033 1.00 54.30 H new ATOM 0 HD11 LEU A 96 2.321 8.024 -3.954 1.00 4.43 H new ATOM 0 HD12 LEU A 96 4.070 7.698 -3.901 1.00 4.43 H new ATOM 0 HD13 LEU A 96 3.398 9.090 -3.020 1.00 4.43 H new ATOM 0 HD21 LEU A 96 1.456 9.945 -5.228 1.00 52.13 H new ATOM 0 HD22 LEU A 96 2.516 11.072 -4.348 1.00 52.13 H new ATOM 0 HD23 LEU A 96 2.564 11.009 -6.126 1.00 52.13 H new ATOM 1519 N GLN A 97 6.413 8.706 -7.545 1.00 34.10 N ATOM 1520 CA GLN A 97 6.379 7.900 -8.749 1.00 52.22 C ATOM 1521 C GLN A 97 7.399 6.765 -8.658 1.00 4.22 C ATOM 1522 O GLN A 97 7.124 5.659 -9.079 1.00 51.11 O ATOM 1523 CB GLN A 97 6.591 8.750 -10.019 1.00 54.43 C ATOM 1524 CG GLN A 97 8.007 9.196 -10.273 1.00 43.53 C ATOM 1525 CD GLN A 97 8.120 10.185 -11.414 1.00 44.22 C ATOM 1526 OE1 GLN A 97 8.044 11.394 -11.208 1.00 4.15 O ATOM 1527 NE2 GLN A 97 8.309 9.695 -12.608 1.00 72.45 N ATOM 0 H GLN A 97 6.689 9.678 -7.684 1.00 34.10 H new ATOM 0 HA GLN A 97 5.384 7.462 -8.830 1.00 52.22 H new ATOM 0 HB2 GLN A 97 6.250 8.176 -10.880 1.00 54.43 H new ATOM 0 HB3 GLN A 97 5.957 9.634 -9.953 1.00 54.43 H new ATOM 0 HG2 GLN A 97 8.408 9.649 -9.366 1.00 43.53 H new ATOM 0 HG3 GLN A 97 8.623 8.324 -10.493 1.00 43.53 H new ATOM 0 HE21 GLN A 97 8.367 8.685 -12.742 1.00 72.45 H new ATOM 0 HE22 GLN A 97 8.399 10.321 -13.408 1.00 72.45 H new ATOM 1536 N LYS A 98 8.560 7.044 -8.044 1.00 51.40 N ATOM 1537 CA LYS A 98 9.593 6.030 -7.883 1.00 44.32 C ATOM 1538 C LYS A 98 9.139 4.927 -6.938 1.00 1.13 C ATOM 1539 O LYS A 98 9.418 3.749 -7.177 1.00 61.44 O ATOM 1540 CB LYS A 98 10.933 6.628 -7.434 1.00 61.53 C ATOM 1541 CG LYS A 98 11.547 7.591 -8.445 1.00 34.50 C ATOM 1542 CD LYS A 98 12.919 8.108 -8.004 1.00 72.51 C ATOM 1543 CE LYS A 98 12.853 8.867 -6.685 1.00 62.03 C ATOM 1544 NZ LYS A 98 14.174 9.408 -6.292 1.00 23.51 N ATOM 0 H LYS A 98 8.798 7.957 -7.657 1.00 51.40 H new ATOM 0 HA LYS A 98 9.757 5.588 -8.866 1.00 44.32 H new ATOM 0 HB2 LYS A 98 10.788 7.152 -6.489 1.00 61.53 H new ATOM 0 HB3 LYS A 98 11.637 5.817 -7.245 1.00 61.53 H new ATOM 0 HG2 LYS A 98 11.644 7.089 -9.408 1.00 34.50 H new ATOM 0 HG3 LYS A 98 10.874 8.436 -8.592 1.00 34.50 H new ATOM 0 HD2 LYS A 98 13.606 7.268 -7.904 1.00 72.51 H new ATOM 0 HD3 LYS A 98 13.325 8.761 -8.777 1.00 72.51 H new ATOM 0 HE2 LYS A 98 12.137 9.685 -6.772 1.00 62.03 H new ATOM 0 HE3 LYS A 98 12.485 8.203 -5.902 1.00 62.03 H new ATOM 0 HZ1 LYS A 98 14.079 9.946 -5.407 1.00 23.51 H new ATOM 0 HZ2 LYS A 98 14.842 8.624 -6.151 1.00 23.51 H new ATOM 0 HZ3 LYS A 98 14.529 10.035 -7.042 1.00 23.51 H new ATOM 1558 N SER A 99 8.417 5.297 -5.877 1.00 62.34 N ATOM 1559 CA SER A 99 7.889 4.306 -4.961 1.00 33.33 C ATOM 1560 C SER A 99 6.861 3.409 -5.690 1.00 35.23 C ATOM 1561 O SER A 99 6.857 2.191 -5.517 1.00 62.11 O ATOM 1562 CB SER A 99 7.342 4.964 -3.667 1.00 52.44 C ATOM 1563 OG SER A 99 6.276 5.863 -3.903 1.00 61.42 O ATOM 0 H SER A 99 8.192 6.263 -5.641 1.00 62.34 H new ATOM 0 HA SER A 99 8.696 3.653 -4.628 1.00 33.33 H new ATOM 0 HB2 SER A 99 7.005 4.183 -2.985 1.00 52.44 H new ATOM 0 HB3 SER A 99 8.152 5.495 -3.168 1.00 52.44 H new ATOM 0 HG SER A 99 6.056 5.866 -4.858 1.00 61.42 H new ATOM 1569 N LEU A 100 6.033 4.026 -6.549 1.00 61.45 N ATOM 1570 CA LEU A 100 5.092 3.303 -7.417 1.00 21.25 C ATOM 1571 C LEU A 100 5.847 2.375 -8.375 1.00 62.13 C ATOM 1572 O LEU A 100 5.414 1.260 -8.608 1.00 74.43 O ATOM 1573 CB LEU A 100 4.224 4.315 -8.220 1.00 32.14 C ATOM 1574 CG LEU A 100 2.992 4.974 -7.535 1.00 3.11 C ATOM 1575 CD1 LEU A 100 1.822 4.024 -7.521 1.00 5.45 C ATOM 1576 CD2 LEU A 100 3.285 5.408 -6.112 1.00 15.21 C ATOM 0 H LEU A 100 5.998 5.039 -6.660 1.00 61.45 H new ATOM 0 HA LEU A 100 4.439 2.694 -6.792 1.00 21.25 H new ATOM 0 HB2 LEU A 100 4.881 5.118 -8.554 1.00 32.14 H new ATOM 0 HB3 LEU A 100 3.867 3.803 -9.114 1.00 32.14 H new ATOM 0 HG LEU A 100 2.751 5.861 -8.121 1.00 3.11 H new ATOM 0 HD11 LEU A 100 0.970 4.503 -7.038 1.00 5.45 H new ATOM 0 HD12 LEU A 100 1.557 3.758 -8.544 1.00 5.45 H new ATOM 0 HD13 LEU A 100 2.092 3.123 -6.971 1.00 5.45 H new ATOM 0 HD21 LEU A 100 2.393 5.862 -5.679 1.00 15.21 H new ATOM 0 HD22 LEU A 100 3.575 4.540 -5.519 1.00 15.21 H new ATOM 0 HD23 LEU A 100 4.098 6.135 -6.113 1.00 15.21 H new ATOM 1588 N GLU A 101 6.986 2.840 -8.919 1.00 32.15 N ATOM 1589 CA GLU A 101 7.796 2.023 -9.850 1.00 42.31 C ATOM 1590 C GLU A 101 8.299 0.789 -9.155 1.00 5.01 C ATOM 1591 O GLU A 101 8.155 -0.336 -9.646 1.00 3.24 O ATOM 1592 CB GLU A 101 9.028 2.772 -10.353 1.00 4.13 C ATOM 1593 CG GLU A 101 8.762 4.072 -11.019 1.00 51.41 C ATOM 1594 CD GLU A 101 10.017 4.672 -11.614 1.00 32.20 C ATOM 1595 OE1 GLU A 101 10.874 5.198 -10.859 1.00 5.55 O ATOM 1596 OE2 GLU A 101 10.170 4.631 -12.862 1.00 73.52 O ATOM 0 H GLU A 101 7.367 3.768 -8.734 1.00 32.15 H new ATOM 0 HA GLU A 101 7.143 1.780 -10.688 1.00 42.31 H new ATOM 0 HB2 GLU A 101 9.695 2.947 -9.508 1.00 4.13 H new ATOM 0 HB3 GLU A 101 9.562 2.128 -11.052 1.00 4.13 H new ATOM 0 HG2 GLU A 101 8.020 3.931 -11.805 1.00 51.41 H new ATOM 0 HG3 GLU A 101 8.334 4.768 -10.297 1.00 51.41 H new ATOM 1603 N ALA A 102 8.901 1.010 -8.028 1.00 65.00 N ATOM 1604 CA ALA A 102 9.438 -0.062 -7.213 1.00 43.41 C ATOM 1605 C ALA A 102 8.332 -1.046 -6.836 1.00 41.32 C ATOM 1606 O ALA A 102 8.502 -2.273 -6.912 1.00 51.50 O ATOM 1607 CB ALA A 102 10.109 0.505 -5.975 1.00 31.42 C ATOM 0 H ALA A 102 9.040 1.941 -7.635 1.00 65.00 H new ATOM 0 HA ALA A 102 10.189 -0.602 -7.789 1.00 43.41 H new ATOM 0 HB1 ALA A 102 10.508 -0.310 -5.372 1.00 31.42 H new ATOM 0 HB2 ALA A 102 10.922 1.167 -6.273 1.00 31.42 H new ATOM 0 HB3 ALA A 102 9.380 1.066 -5.390 1.00 31.42 H new ATOM 1613 N MET A 103 7.191 -0.495 -6.475 1.00 50.11 N ATOM 1614 CA MET A 103 6.040 -1.259 -6.118 1.00 62.44 C ATOM 1615 C MET A 103 5.507 -2.099 -7.290 1.00 44.10 C ATOM 1616 O MET A 103 5.366 -3.324 -7.149 1.00 1.12 O ATOM 1617 CB MET A 103 4.962 -0.350 -5.520 1.00 32.42 C ATOM 1618 CG MET A 103 3.652 -1.040 -5.300 1.00 31.35 C ATOM 1619 SD MET A 103 2.452 -0.088 -4.365 1.00 71.05 S ATOM 1620 CE MET A 103 2.191 1.299 -5.441 1.00 11.12 C ATOM 0 H MET A 103 7.048 0.514 -6.425 1.00 50.11 H new ATOM 0 HA MET A 103 6.340 -1.975 -5.353 1.00 62.44 H new ATOM 0 HB2 MET A 103 5.319 0.046 -4.569 1.00 32.42 H new ATOM 0 HB3 MET A 103 4.808 0.502 -6.183 1.00 32.42 H new ATOM 0 HG2 MET A 103 3.221 -1.290 -6.269 1.00 31.35 H new ATOM 0 HG3 MET A 103 3.835 -1.980 -4.780 1.00 31.35 H new ATOM 0 HE1 MET A 103 1.155 1.628 -5.366 1.00 11.12 H new ATOM 0 HE2 MET A 103 2.853 2.115 -5.150 1.00 11.12 H new ATOM 0 HE3 MET A 103 2.405 1.007 -6.469 1.00 11.12 H new ATOM 1630 N LYS A 104 5.254 -1.452 -8.449 1.00 45.41 N ATOM 1631 CA LYS A 104 4.715 -2.129 -9.619 1.00 43.03 C ATOM 1632 C LYS A 104 5.609 -3.271 -10.096 1.00 21.40 C ATOM 1633 O LYS A 104 5.121 -4.286 -10.579 1.00 21.30 O ATOM 1634 CB LYS A 104 4.340 -1.120 -10.755 1.00 11.21 C ATOM 1635 CG LYS A 104 5.445 -0.280 -11.380 1.00 61.43 C ATOM 1636 CD LYS A 104 6.418 -1.073 -12.218 1.00 60.15 C ATOM 1637 CE LYS A 104 7.506 -0.189 -12.798 1.00 21.43 C ATOM 1638 NZ LYS A 104 8.573 -0.982 -13.443 1.00 65.40 N ATOM 0 H LYS A 104 5.420 -0.455 -8.586 1.00 45.41 H new ATOM 0 HA LYS A 104 3.781 -2.601 -9.314 1.00 43.03 H new ATOM 0 HB2 LYS A 104 3.862 -1.685 -11.555 1.00 11.21 H new ATOM 0 HB3 LYS A 104 3.591 -0.436 -10.356 1.00 11.21 H new ATOM 0 HG2 LYS A 104 4.993 0.493 -12.001 1.00 61.43 H new ATOM 0 HG3 LYS A 104 5.994 0.228 -10.587 1.00 61.43 H new ATOM 0 HD2 LYS A 104 6.870 -1.855 -11.609 1.00 60.15 H new ATOM 0 HD3 LYS A 104 5.882 -1.569 -13.027 1.00 60.15 H new ATOM 0 HE2 LYS A 104 7.069 0.493 -13.527 1.00 21.43 H new ATOM 0 HE3 LYS A 104 7.937 0.424 -12.006 1.00 21.43 H new ATOM 0 HZ1 LYS A 104 9.289 -0.341 -13.842 1.00 65.40 H new ATOM 0 HZ2 LYS A 104 9.018 -1.603 -12.738 1.00 65.40 H new ATOM 0 HZ3 LYS A 104 8.164 -1.560 -14.204 1.00 65.40 H new ATOM 1652 N SER A 105 6.911 -3.119 -9.907 1.00 53.24 N ATOM 1653 CA SER A 105 7.861 -4.123 -10.325 1.00 13.35 C ATOM 1654 C SER A 105 7.783 -5.351 -9.423 1.00 54.43 C ATOM 1655 O SER A 105 7.833 -6.486 -9.896 1.00 34.42 O ATOM 1656 CB SER A 105 9.263 -3.534 -10.324 1.00 0.45 C ATOM 1657 OG SER A 105 9.309 -2.373 -11.145 1.00 21.15 O ATOM 0 H SER A 105 7.330 -2.302 -9.463 1.00 53.24 H new ATOM 0 HA SER A 105 7.616 -4.442 -11.338 1.00 13.35 H new ATOM 0 HB2 SER A 105 9.558 -3.280 -9.306 1.00 0.45 H new ATOM 0 HB3 SER A 105 9.976 -4.274 -10.687 1.00 0.45 H new ATOM 0 HG SER A 105 8.925 -1.613 -10.659 1.00 21.15 H new ATOM 1663 N HIS A 106 7.624 -5.125 -8.128 1.00 24.13 N ATOM 1664 CA HIS A 106 7.540 -6.223 -7.188 1.00 2.21 C ATOM 1665 C HIS A 106 6.274 -7.021 -7.390 1.00 51.22 C ATOM 1666 O HIS A 106 6.311 -8.253 -7.365 1.00 4.34 O ATOM 1667 CB HIS A 106 7.639 -5.755 -5.744 1.00 13.13 C ATOM 1668 CG HIS A 106 7.571 -6.902 -4.798 1.00 64.11 C ATOM 1669 ND1 HIS A 106 6.581 -7.066 -3.872 1.00 24.33 N ATOM 1670 CD2 HIS A 106 8.381 -7.955 -4.672 1.00 44.34 C ATOM 1671 CE1 HIS A 106 6.785 -8.164 -3.204 1.00 42.32 C ATOM 1672 NE2 HIS A 106 7.881 -8.730 -3.664 1.00 40.33 N ATOM 0 H HIS A 106 7.551 -4.197 -7.710 1.00 24.13 H new ATOM 0 HA HIS A 106 8.397 -6.867 -7.387 1.00 2.21 H new ATOM 0 HB2 HIS A 106 8.575 -5.215 -5.598 1.00 13.13 H new ATOM 0 HB3 HIS A 106 6.831 -5.056 -5.530 1.00 13.13 H new ATOM 0 HD2 HIS A 106 9.266 -8.157 -5.257 1.00 44.34 H new ATOM 0 HE1 HIS A 106 6.162 -8.546 -2.409 1.00 42.32 H new ATOM 0 HE2 HIS A 106 8.289 -9.601 -3.325 1.00 40.33 H new ATOM 1681 N CYS A 107 5.169 -6.341 -7.580 1.00 23.44 N ATOM 1682 CA CYS A 107 3.925 -7.025 -7.810 1.00 42.31 C ATOM 1683 C CYS A 107 3.971 -7.902 -9.063 1.00 54.43 C ATOM 1684 O CYS A 107 3.379 -8.972 -9.085 1.00 33.43 O ATOM 1685 CB CYS A 107 2.718 -6.085 -7.718 1.00 63.33 C ATOM 1686 SG CYS A 107 2.915 -4.528 -8.546 1.00 32.25 S ATOM 0 H CYS A 107 5.108 -5.323 -7.580 1.00 23.44 H new ATOM 0 HA CYS A 107 3.778 -7.730 -6.992 1.00 42.31 H new ATOM 0 HB2 CYS A 107 1.848 -6.593 -8.134 1.00 63.33 H new ATOM 0 HB3 CYS A 107 2.503 -5.896 -6.666 1.00 63.33 H new ATOM 0 HG CYS A 107 3.838 -3.833 -7.950 1.00 32.25 H new ATOM 1692 N LEU A 108 4.728 -7.468 -10.078 1.00 71.42 N ATOM 1693 CA LEU A 108 4.945 -8.269 -11.280 1.00 11.35 C ATOM 1694 C LEU A 108 5.627 -9.575 -10.931 1.00 4.24 C ATOM 1695 O LEU A 108 5.243 -10.640 -11.416 1.00 70.14 O ATOM 1696 CB LEU A 108 5.837 -7.531 -12.265 1.00 70.31 C ATOM 1697 CG LEU A 108 5.312 -6.235 -12.825 1.00 23.14 C ATOM 1698 CD1 LEU A 108 6.333 -5.627 -13.765 1.00 4.20 C ATOM 1699 CD2 LEU A 108 4.002 -6.475 -13.529 1.00 23.31 C ATOM 0 H LEU A 108 5.200 -6.564 -10.087 1.00 71.42 H new ATOM 0 HA LEU A 108 3.968 -8.457 -11.726 1.00 11.35 H new ATOM 0 HB2 LEU A 108 6.788 -7.327 -11.773 1.00 70.31 H new ATOM 0 HB3 LEU A 108 6.047 -8.200 -13.099 1.00 70.31 H new ATOM 0 HG LEU A 108 5.138 -5.532 -12.011 1.00 23.14 H new ATOM 0 HD11 LEU A 108 5.946 -4.690 -14.166 1.00 4.20 H new ATOM 0 HD12 LEU A 108 7.258 -5.435 -13.222 1.00 4.20 H new ATOM 0 HD13 LEU A 108 6.530 -6.318 -14.584 1.00 4.20 H new ATOM 0 HD21 LEU A 108 3.628 -5.534 -13.932 1.00 23.31 H new ATOM 0 HD22 LEU A 108 4.151 -7.184 -14.343 1.00 23.31 H new ATOM 0 HD23 LEU A 108 3.278 -6.881 -12.822 1.00 23.31 H new ATOM 1711 N LYS A 109 6.622 -9.495 -10.059 1.00 64.42 N ATOM 1712 CA LYS A 109 7.423 -10.656 -9.693 1.00 75.52 C ATOM 1713 C LYS A 109 6.638 -11.630 -8.857 1.00 33.13 C ATOM 1714 O LYS A 109 6.967 -12.804 -8.769 1.00 55.30 O ATOM 1715 CB LYS A 109 8.628 -10.193 -8.915 1.00 64.51 C ATOM 1716 CG LYS A 109 9.463 -9.219 -9.684 1.00 0.43 C ATOM 1717 CD LYS A 109 10.647 -8.714 -8.874 1.00 41.23 C ATOM 1718 CE LYS A 109 11.584 -9.831 -8.447 1.00 25.42 C ATOM 1719 NZ LYS A 109 12.714 -9.317 -7.650 1.00 52.50 N ATOM 0 H LYS A 109 6.896 -8.632 -9.589 1.00 64.42 H new ATOM 0 HA LYS A 109 7.726 -11.165 -10.608 1.00 75.52 H new ATOM 0 HB2 LYS A 109 8.300 -9.731 -7.984 1.00 64.51 H new ATOM 0 HB3 LYS A 109 9.237 -11.056 -8.646 1.00 64.51 H new ATOM 0 HG2 LYS A 109 9.825 -9.694 -10.596 1.00 0.43 H new ATOM 0 HG3 LYS A 109 8.845 -8.374 -9.988 1.00 0.43 H new ATOM 0 HD2 LYS A 109 11.202 -7.986 -9.465 1.00 41.23 H new ATOM 0 HD3 LYS A 109 10.281 -8.194 -7.989 1.00 41.23 H new ATOM 0 HE2 LYS A 109 11.031 -10.567 -7.863 1.00 25.42 H new ATOM 0 HE3 LYS A 109 11.965 -10.345 -9.330 1.00 25.42 H new ATOM 0 HZ1 LYS A 109 13.333 -10.107 -7.376 1.00 52.50 H new ATOM 0 HZ2 LYS A 109 13.256 -8.633 -8.216 1.00 52.50 H new ATOM 0 HZ3 LYS A 109 12.351 -8.849 -6.795 1.00 52.50 H new ATOM 1733 N ASN A 110 5.624 -11.131 -8.232 1.00 1.53 N ATOM 1734 CA ASN A 110 4.799 -11.955 -7.332 1.00 11.00 C ATOM 1735 C ASN A 110 3.473 -12.350 -7.952 1.00 71.23 C ATOM 1736 O ASN A 110 2.719 -13.121 -7.366 1.00 61.11 O ATOM 1737 CB ASN A 110 4.548 -11.269 -5.969 1.00 72.42 C ATOM 1738 CG ASN A 110 5.800 -11.050 -5.122 1.00 75.32 C ATOM 1739 OD1 ASN A 110 6.918 -10.760 -5.746 1.00 4.42 O flip ATOM 1740 ND2 ASN A 110 5.738 -11.098 -3.906 1.00 10.13 N flip ATOM 0 H ASN A 110 5.325 -10.159 -8.310 1.00 1.53 H new ATOM 0 HA ASN A 110 5.381 -12.861 -7.163 1.00 11.00 H new ATOM 0 HB2 ASN A 110 4.073 -10.304 -6.146 1.00 72.42 H new ATOM 0 HB3 ASN A 110 3.842 -11.873 -5.399 1.00 72.42 H new ATOM 0 HD21 ASN A 110 4.855 -11.326 -3.449 1.00 10.13 H new ATOM 0 HD22 ASN A 110 6.569 -10.910 -3.345 1.00 10.13 H new ATOM 1747 N GLY A 111 3.181 -11.823 -9.121 1.00 64.41 N ATOM 1748 CA GLY A 111 1.918 -12.126 -9.771 1.00 11.11 C ATOM 1749 C GLY A 111 0.753 -11.431 -9.088 1.00 15.53 C ATOM 1750 O GLY A 111 -0.354 -11.958 -9.031 1.00 74.04 O ATOM 0 H GLY A 111 3.790 -11.190 -9.639 1.00 64.41 H new ATOM 0 HA2 GLY A 111 1.963 -11.818 -10.816 1.00 11.11 H new ATOM 0 HA3 GLY A 111 1.754 -13.204 -9.763 1.00 11.11 H new ATOM 1754 N VAL A 112 1.014 -10.260 -8.564 1.00 61.42 N ATOM 1755 CA VAL A 112 0.014 -9.486 -7.880 1.00 72.41 C ATOM 1756 C VAL A 112 -0.546 -8.457 -8.831 1.00 62.35 C ATOM 1757 O VAL A 112 0.181 -7.614 -9.349 1.00 43.41 O ATOM 1758 CB VAL A 112 0.585 -8.793 -6.612 1.00 55.42 C ATOM 1759 CG1 VAL A 112 -0.475 -7.938 -5.933 1.00 42.11 C ATOM 1760 CG2 VAL A 112 1.115 -9.829 -5.638 1.00 40.20 C ATOM 0 H VAL A 112 1.932 -9.816 -8.601 1.00 61.42 H new ATOM 0 HA VAL A 112 -0.776 -10.160 -7.549 1.00 72.41 H new ATOM 0 HB VAL A 112 1.403 -8.144 -6.923 1.00 55.42 H new ATOM 0 HG11 VAL A 112 -0.049 -7.465 -5.049 1.00 42.11 H new ATOM 0 HG12 VAL A 112 -0.821 -7.170 -6.625 1.00 42.11 H new ATOM 0 HG13 VAL A 112 -1.316 -8.566 -5.639 1.00 42.11 H new ATOM 0 HG21 VAL A 112 1.512 -9.329 -4.755 1.00 40.20 H new ATOM 0 HG22 VAL A 112 0.307 -10.498 -5.343 1.00 40.20 H new ATOM 0 HG23 VAL A 112 1.908 -10.405 -6.115 1.00 40.20 H new ATOM 1770 N THR A 113 -1.806 -8.557 -9.075 1.00 34.41 N ATOM 1771 CA THR A 113 -2.503 -7.683 -9.979 1.00 52.31 C ATOM 1772 C THR A 113 -3.544 -6.886 -9.244 1.00 54.13 C ATOM 1773 O THR A 113 -4.383 -6.252 -9.866 1.00 54.10 O ATOM 1774 CB THR A 113 -3.208 -8.531 -11.055 1.00 22.43 C ATOM 1775 OG1 THR A 113 -4.003 -9.565 -10.406 1.00 4.25 O ATOM 1776 CG2 THR A 113 -2.201 -9.179 -11.992 1.00 54.43 C ATOM 0 H THR A 113 -2.403 -9.263 -8.645 1.00 34.41 H new ATOM 0 HA THR A 113 -1.782 -7.003 -10.433 1.00 52.31 H new ATOM 0 HB THR A 113 -3.850 -7.876 -11.645 1.00 22.43 H new ATOM 0 HG1 THR A 113 -4.583 -9.156 -9.730 1.00 4.25 H new ATOM 0 HG21 THR A 113 -2.729 -9.771 -12.740 1.00 54.43 H new ATOM 0 HG22 THR A 113 -1.615 -8.405 -12.488 1.00 54.43 H new ATOM 0 HG23 THR A 113 -1.536 -9.826 -11.420 1.00 54.43 H new ATOM 1784 N ASP A 114 -3.501 -6.903 -7.931 1.00 14.45 N ATOM 1785 CA ASP A 114 -4.513 -6.210 -7.154 1.00 10.01 C ATOM 1786 C ASP A 114 -3.871 -5.484 -5.994 1.00 61.33 C ATOM 1787 O ASP A 114 -3.180 -6.095 -5.175 1.00 23.10 O ATOM 1788 CB ASP A 114 -5.594 -7.197 -6.655 1.00 34.21 C ATOM 1789 CG ASP A 114 -6.251 -7.985 -7.785 1.00 33.40 C ATOM 1790 OD1 ASP A 114 -5.702 -9.051 -8.175 1.00 73.44 O ATOM 1791 OD2 ASP A 114 -7.286 -7.546 -8.330 1.00 71.32 O ATOM 0 H ASP A 114 -2.788 -7.381 -7.381 1.00 14.45 H new ATOM 0 HA ASP A 114 -5.001 -5.476 -7.795 1.00 10.01 H new ATOM 0 HB2 ASP A 114 -5.143 -7.894 -5.948 1.00 34.21 H new ATOM 0 HB3 ASP A 114 -6.360 -6.644 -6.112 1.00 34.21 H new ATOM 1796 N LEU A 115 -4.079 -4.180 -5.943 1.00 64.23 N ATOM 1797 CA LEU A 115 -3.521 -3.319 -4.907 1.00 21.22 C ATOM 1798 C LEU A 115 -4.572 -2.380 -4.353 1.00 2.44 C ATOM 1799 O LEU A 115 -5.481 -1.951 -5.070 1.00 61.41 O ATOM 1800 CB LEU A 115 -2.334 -2.516 -5.455 1.00 63.14 C ATOM 1801 CG LEU A 115 -1.081 -3.315 -5.793 1.00 61.03 C ATOM 1802 CD1 LEU A 115 -0.084 -2.437 -6.514 1.00 41.14 C ATOM 1803 CD2 LEU A 115 -0.451 -3.837 -4.521 1.00 4.41 C ATOM 0 H LEU A 115 -4.647 -3.680 -6.627 1.00 64.23 H new ATOM 0 HA LEU A 115 -3.171 -3.958 -4.096 1.00 21.22 H new ATOM 0 HB2 LEU A 115 -2.660 -1.993 -6.354 1.00 63.14 H new ATOM 0 HB3 LEU A 115 -2.068 -1.755 -4.722 1.00 63.14 H new ATOM 0 HG LEU A 115 -1.360 -4.150 -6.436 1.00 61.03 H new ATOM 0 HD11 LEU A 115 0.808 -3.018 -6.751 1.00 41.14 H new ATOM 0 HD12 LEU A 115 -0.529 -2.063 -7.436 1.00 41.14 H new ATOM 0 HD13 LEU A 115 0.189 -1.597 -5.876 1.00 41.14 H new ATOM 0 HD21 LEU A 115 0.445 -4.408 -4.766 1.00 4.41 H new ATOM 0 HD22 LEU A 115 -0.182 -2.999 -3.878 1.00 4.41 H new ATOM 0 HD23 LEU A 115 -1.161 -4.481 -4.001 1.00 4.41 H new ATOM 1815 N SER A 116 -4.471 -2.091 -3.080 1.00 34.21 N ATOM 1816 CA SER A 116 -5.389 -1.224 -2.419 1.00 50.24 C ATOM 1817 C SER A 116 -4.639 -0.235 -1.541 1.00 41.43 C ATOM 1818 O SER A 116 -3.750 -0.616 -0.777 1.00 22.33 O ATOM 1819 CB SER A 116 -6.352 -2.054 -1.582 1.00 54.12 C ATOM 1820 OG SER A 116 -7.080 -2.960 -2.406 1.00 21.21 O ATOM 0 H SER A 116 -3.738 -2.460 -2.474 1.00 34.21 H new ATOM 0 HA SER A 116 -5.954 -0.661 -3.162 1.00 50.24 H new ATOM 0 HB2 SER A 116 -5.799 -2.608 -0.824 1.00 54.12 H new ATOM 0 HB3 SER A 116 -7.044 -1.397 -1.055 1.00 54.12 H new ATOM 0 HG SER A 116 -7.693 -3.486 -1.851 1.00 21.21 H new ATOM 1826 N MET A 117 -4.974 1.014 -1.673 1.00 45.13 N ATOM 1827 CA MET A 117 -4.373 2.074 -0.901 1.00 12.50 C ATOM 1828 C MET A 117 -5.442 3.085 -0.517 1.00 11.13 C ATOM 1829 O MET A 117 -6.496 3.114 -1.123 1.00 61.31 O ATOM 1830 CB MET A 117 -3.227 2.775 -1.693 1.00 72.23 C ATOM 1831 CG MET A 117 -3.619 3.397 -3.038 1.00 21.24 C ATOM 1832 SD MET A 117 -4.060 2.181 -4.306 1.00 23.01 S ATOM 1833 CE MET A 117 -2.521 1.266 -4.461 1.00 42.21 C ATOM 0 H MET A 117 -5.684 1.336 -2.330 1.00 45.13 H new ATOM 0 HA MET A 117 -3.935 1.642 -0.001 1.00 12.50 H new ATOM 0 HB2 MET A 117 -2.804 3.558 -1.063 1.00 72.23 H new ATOM 0 HB3 MET A 117 -2.436 2.046 -1.870 1.00 72.23 H new ATOM 0 HG2 MET A 117 -4.463 4.070 -2.884 1.00 21.24 H new ATOM 0 HG3 MET A 117 -2.790 4.004 -3.402 1.00 21.24 H new ATOM 0 HE1 MET A 117 -2.505 0.739 -5.415 1.00 42.21 H new ATOM 0 HE2 MET A 117 -1.680 1.958 -4.414 1.00 42.21 H new ATOM 0 HE3 MET A 117 -2.443 0.545 -3.647 1.00 42.21 H new ATOM 1843 N PRO A 118 -5.222 3.887 0.527 1.00 73.05 N ATOM 1844 CA PRO A 118 -6.148 4.948 0.893 1.00 2.11 C ATOM 1845 C PRO A 118 -5.783 6.223 0.135 1.00 33.30 C ATOM 1846 O PRO A 118 -5.134 6.158 -0.923 1.00 62.12 O ATOM 1847 CB PRO A 118 -5.868 5.117 2.383 1.00 23.12 C ATOM 1848 CG PRO A 118 -4.405 4.846 2.513 1.00 12.30 C ATOM 1849 CD PRO A 118 -4.066 3.826 1.452 1.00 50.15 C ATOM 0 HA PRO A 118 -7.193 4.735 0.667 1.00 2.11 H new ATOM 0 HB2 PRO A 118 -6.119 6.121 2.724 1.00 23.12 H new ATOM 0 HB3 PRO A 118 -6.457 4.421 2.980 1.00 23.12 H new ATOM 0 HG2 PRO A 118 -3.827 5.759 2.373 1.00 12.30 H new ATOM 0 HG3 PRO A 118 -4.167 4.467 3.507 1.00 12.30 H new ATOM 0 HD2 PRO A 118 -3.133 4.071 0.944 1.00 50.15 H new ATOM 0 HD3 PRO A 118 -3.945 2.830 1.878 1.00 50.15 H new ATOM 1857 N ARG A 119 -6.192 7.369 0.640 1.00 62.32 N ATOM 1858 CA ARG A 119 -5.790 8.615 0.032 1.00 11.03 C ATOM 1859 C ARG A 119 -4.307 8.850 0.331 1.00 73.31 C ATOM 1860 O ARG A 119 -3.952 9.363 1.394 1.00 74.43 O ATOM 1861 CB ARG A 119 -6.625 9.793 0.553 1.00 71.22 C ATOM 1862 CG ARG A 119 -6.288 11.118 -0.111 1.00 31.01 C ATOM 1863 CD ARG A 119 -7.043 12.272 0.522 1.00 13.32 C ATOM 1864 NE ARG A 119 -6.760 13.530 -0.172 1.00 13.31 N ATOM 1865 CZ ARG A 119 -6.768 14.748 0.377 1.00 53.43 C ATOM 1866 NH1 ARG A 119 -7.013 14.910 1.679 1.00 10.35 N ATOM 1867 NH2 ARG A 119 -6.531 15.808 -0.381 1.00 54.43 N ATOM 0 H ARG A 119 -6.794 7.461 1.458 1.00 62.32 H new ATOM 0 HA ARG A 119 -5.955 8.550 -1.044 1.00 11.03 H new ATOM 0 HB2 ARG A 119 -7.682 9.576 0.396 1.00 71.22 H new ATOM 0 HB3 ARG A 119 -6.475 9.886 1.629 1.00 71.22 H new ATOM 0 HG2 ARG A 119 -5.216 11.300 -0.036 1.00 31.01 H new ATOM 0 HG3 ARG A 119 -6.529 11.064 -1.173 1.00 31.01 H new ATOM 0 HD2 ARG A 119 -8.114 12.070 0.493 1.00 13.32 H new ATOM 0 HD3 ARG A 119 -6.764 12.361 1.572 1.00 13.32 H new ATOM 0 HE ARG A 119 -6.536 13.471 -1.165 1.00 13.31 H new ATOM 0 HH11 ARG A 119 -7.197 14.098 2.268 1.00 10.35 H new ATOM 0 HH12 ARG A 119 -7.016 15.846 2.085 1.00 10.35 H new ATOM 0 HH21 ARG A 119 -6.344 15.691 -1.377 1.00 54.43 H new ATOM 0 HH22 ARG A 119 -6.535 16.741 0.031 1.00 54.43 H new ATOM 1881 N ILE A 120 -3.455 8.398 -0.561 1.00 51.04 N ATOM 1882 CA ILE A 120 -2.026 8.550 -0.396 1.00 21.22 C ATOM 1883 C ILE A 120 -1.571 9.989 -0.629 1.00 2.30 C ATOM 1884 O ILE A 120 -1.310 10.418 -1.745 1.00 52.25 O ATOM 1885 CB ILE A 120 -1.202 7.521 -1.232 1.00 71.25 C ATOM 1886 CG1 ILE A 120 -1.621 7.546 -2.716 1.00 72.34 C ATOM 1887 CG2 ILE A 120 -1.353 6.120 -0.641 1.00 64.03 C ATOM 1888 CD1 ILE A 120 -0.863 6.578 -3.601 1.00 33.13 C ATOM 0 H ILE A 120 -3.730 7.917 -1.417 1.00 51.04 H new ATOM 0 HA ILE A 120 -1.815 8.318 0.648 1.00 21.22 H new ATOM 0 HB ILE A 120 -0.150 7.804 -1.185 1.00 71.25 H new ATOM 0 HG12 ILE A 120 -2.686 7.322 -2.783 1.00 72.34 H new ATOM 0 HG13 ILE A 120 -1.483 8.556 -3.102 1.00 72.34 H new ATOM 0 HG21 ILE A 120 -0.774 5.411 -1.233 1.00 64.03 H new ATOM 0 HG22 ILE A 120 -0.989 6.117 0.387 1.00 64.03 H new ATOM 0 HG23 ILE A 120 -2.404 5.831 -0.655 1.00 64.03 H new ATOM 0 HD11 ILE A 120 -1.223 6.664 -4.626 1.00 33.13 H new ATOM 0 HD12 ILE A 120 0.201 6.813 -3.569 1.00 33.13 H new ATOM 0 HD13 ILE A 120 -1.021 5.560 -3.245 1.00 33.13 H new ATOM 1900 N GLY A 121 -1.547 10.723 0.442 1.00 73.01 N ATOM 1901 CA GLY A 121 -1.171 12.094 0.413 1.00 25.01 C ATOM 1902 C GLY A 121 -1.839 12.810 1.544 1.00 74.44 C ATOM 1903 O GLY A 121 -2.197 12.176 2.549 1.00 3.42 O ATOM 0 H GLY A 121 -1.792 10.377 1.370 1.00 73.01 H new ATOM 0 HA2 GLY A 121 -0.088 12.189 0.496 1.00 25.01 H new ATOM 0 HA3 GLY A 121 -1.459 12.543 -0.538 1.00 25.01 H new ATOM 1907 N CYS A 122 -2.012 14.089 1.409 1.00 55.24 N ATOM 1908 CA CYS A 122 -2.665 14.904 2.412 1.00 75.32 C ATOM 1909 C CYS A 122 -3.310 16.086 1.723 1.00 64.14 C ATOM 1910 O CYS A 122 -3.190 16.232 0.507 1.00 4.31 O ATOM 1911 CB CYS A 122 -1.642 15.413 3.455 1.00 65.41 C ATOM 1912 SG CYS A 122 -0.800 14.111 4.386 1.00 0.03 S ATOM 0 H CYS A 122 -1.702 14.613 0.590 1.00 55.24 H new ATOM 0 HA CYS A 122 -3.414 14.306 2.930 1.00 75.32 H new ATOM 0 HB2 CYS A 122 -0.893 16.018 2.944 1.00 65.41 H new ATOM 0 HB3 CYS A 122 -2.156 16.069 4.158 1.00 65.41 H new ATOM 0 HG CYS A 122 -1.180 12.948 3.946 1.00 0.03 H new ATOM 1918 N GLY A 123 -3.982 16.927 2.481 1.00 22.41 N ATOM 1919 CA GLY A 123 -4.548 18.139 1.923 1.00 41.33 C ATOM 1920 C GLY A 123 -3.487 19.210 1.802 1.00 74.34 C ATOM 1921 O GLY A 123 -3.604 20.300 2.360 1.00 54.25 O ATOM 0 H GLY A 123 -4.149 16.796 3.479 1.00 22.41 H new ATOM 0 HA2 GLY A 123 -4.976 17.930 0.943 1.00 41.33 H new ATOM 0 HA3 GLY A 123 -5.361 18.494 2.557 1.00 41.33 H new ATOM 1925 N LEU A 124 -2.451 18.884 1.086 1.00 11.03 N ATOM 1926 CA LEU A 124 -1.325 19.739 0.902 1.00 43.04 C ATOM 1927 C LEU A 124 -1.407 20.331 -0.485 1.00 61.03 C ATOM 1928 O LEU A 124 -1.407 19.603 -1.459 1.00 74.44 O ATOM 1929 CB LEU A 124 -0.033 18.910 1.061 1.00 41.44 C ATOM 1930 CG LEU A 124 1.299 19.660 0.963 1.00 34.22 C ATOM 1931 CD1 LEU A 124 1.428 20.681 2.077 1.00 4.35 C ATOM 1932 CD2 LEU A 124 2.462 18.683 0.998 1.00 70.12 C ATOM 0 H LEU A 124 -2.368 17.990 0.602 1.00 11.03 H new ATOM 0 HA LEU A 124 -1.318 20.541 1.641 1.00 43.04 H new ATOM 0 HB2 LEU A 124 -0.069 18.412 2.030 1.00 41.44 H new ATOM 0 HB3 LEU A 124 -0.037 18.129 0.300 1.00 41.44 H new ATOM 0 HG LEU A 124 1.321 20.192 0.012 1.00 34.22 H new ATOM 0 HD11 LEU A 124 2.382 21.200 1.986 1.00 4.35 H new ATOM 0 HD12 LEU A 124 0.614 21.402 2.006 1.00 4.35 H new ATOM 0 HD13 LEU A 124 1.381 20.175 3.041 1.00 4.35 H new ATOM 0 HD21 LEU A 124 3.401 19.232 0.927 1.00 70.12 H new ATOM 0 HD22 LEU A 124 2.439 18.123 1.933 1.00 70.12 H new ATOM 0 HD23 LEU A 124 2.382 17.992 0.159 1.00 70.12 H new ATOM 1944 N ASP A 125 -1.476 21.645 -0.567 1.00 1.30 N ATOM 1945 CA ASP A 125 -1.615 22.362 -1.854 1.00 53.35 C ATOM 1946 C ASP A 125 -0.389 22.238 -2.721 1.00 44.22 C ATOM 1947 O ASP A 125 -0.420 22.585 -3.902 1.00 40.43 O ATOM 1948 CB ASP A 125 -1.945 23.845 -1.658 1.00 51.22 C ATOM 1949 CG ASP A 125 -3.292 24.079 -1.041 1.00 31.11 C ATOM 1950 OD1 ASP A 125 -4.285 24.208 -1.788 1.00 12.52 O ATOM 1951 OD2 ASP A 125 -3.384 24.155 0.193 1.00 40.32 O ATOM 0 H ASP A 125 -1.439 22.260 0.246 1.00 1.30 H new ATOM 0 HA ASP A 125 -2.449 21.879 -2.363 1.00 53.35 H new ATOM 0 HB2 ASP A 125 -1.181 24.299 -1.027 1.00 51.22 H new ATOM 0 HB3 ASP A 125 -1.903 24.350 -2.623 1.00 51.22 H new ATOM 1956 N ARG A 126 0.692 21.765 -2.140 1.00 50.35 N ATOM 1957 CA ARG A 126 1.915 21.574 -2.869 1.00 24.01 C ATOM 1958 C ARG A 126 1.738 20.480 -3.933 1.00 54.54 C ATOM 1959 O ARG A 126 2.280 20.578 -5.037 1.00 55.10 O ATOM 1960 CB ARG A 126 3.068 21.242 -1.916 1.00 42.34 C ATOM 1961 CG ARG A 126 4.409 21.125 -2.605 1.00 20.10 C ATOM 1962 CD ARG A 126 4.778 22.427 -3.305 1.00 3.14 C ATOM 1963 NE ARG A 126 6.028 22.322 -4.042 1.00 54.25 N ATOM 1964 CZ ARG A 126 6.477 23.230 -4.911 1.00 31.24 C ATOM 1965 NH1 ARG A 126 5.780 24.348 -5.131 1.00 12.11 N ATOM 1966 NH2 ARG A 126 7.616 23.014 -5.562 1.00 2.33 N ATOM 0 H ARG A 126 0.743 21.505 -1.155 1.00 50.35 H new ATOM 0 HA ARG A 126 2.165 22.504 -3.380 1.00 24.01 H new ATOM 0 HB2 ARG A 126 3.129 22.015 -1.150 1.00 42.34 H new ATOM 0 HB3 ARG A 126 2.848 20.304 -1.406 1.00 42.34 H new ATOM 0 HG2 ARG A 126 5.177 20.871 -1.874 1.00 20.10 H new ATOM 0 HG3 ARG A 126 4.379 20.313 -3.332 1.00 20.10 H new ATOM 0 HD2 ARG A 126 3.978 22.709 -3.989 1.00 3.14 H new ATOM 0 HD3 ARG A 126 4.860 23.224 -2.566 1.00 3.14 H new ATOM 0 HE ARG A 126 6.603 21.495 -3.883 1.00 54.25 H new ATOM 0 HH11 ARG A 126 4.904 24.509 -4.635 1.00 12.11 H new ATOM 0 HH12 ARG A 126 6.124 25.041 -5.795 1.00 12.11 H new ATOM 0 HH21 ARG A 126 8.143 22.157 -5.397 1.00 2.33 H new ATOM 0 HH22 ARG A 126 7.962 23.706 -6.227 1.00 2.33 H new ATOM 1980 N LEU A 127 0.993 19.450 -3.593 1.00 44.42 N ATOM 1981 CA LEU A 127 0.675 18.403 -4.518 1.00 44.12 C ATOM 1982 C LEU A 127 -0.797 18.401 -4.837 1.00 72.40 C ATOM 1983 O LEU A 127 -1.614 18.905 -4.071 1.00 73.42 O ATOM 1984 CB LEU A 127 1.084 17.004 -4.017 1.00 4.14 C ATOM 1985 CG LEU A 127 2.580 16.737 -3.832 1.00 2.10 C ATOM 1986 CD1 LEU A 127 3.161 17.445 -2.626 1.00 61.43 C ATOM 1987 CD2 LEU A 127 2.882 15.250 -3.823 1.00 71.32 C ATOM 0 H LEU A 127 0.594 19.322 -2.663 1.00 44.42 H new ATOM 0 HA LEU A 127 1.255 18.614 -5.416 1.00 44.12 H new ATOM 0 HB2 LEU A 127 0.589 16.829 -3.062 1.00 4.14 H new ATOM 0 HB3 LEU A 127 0.693 16.267 -4.718 1.00 4.14 H new ATOM 0 HG LEU A 127 3.082 17.167 -4.699 1.00 2.10 H new ATOM 0 HD11 LEU A 127 4.224 17.217 -2.548 1.00 61.43 H new ATOM 0 HD12 LEU A 127 3.028 18.521 -2.737 1.00 61.43 H new ATOM 0 HD13 LEU A 127 2.650 17.107 -1.724 1.00 61.43 H new ATOM 0 HD21 LEU A 127 3.953 15.097 -3.690 1.00 71.32 H new ATOM 0 HD22 LEU A 127 2.343 14.774 -3.004 1.00 71.32 H new ATOM 0 HD23 LEU A 127 2.567 14.809 -4.769 1.00 71.32 H new ATOM 1999 N GLN A 128 -1.126 17.854 -5.962 1.00 50.43 N ATOM 2000 CA GLN A 128 -2.497 17.710 -6.373 1.00 10.21 C ATOM 2001 C GLN A 128 -2.759 16.242 -6.613 1.00 75.41 C ATOM 2002 O GLN A 128 -1.927 15.559 -7.232 1.00 4.21 O ATOM 2003 CB GLN A 128 -2.762 18.497 -7.665 1.00 41.40 C ATOM 2004 CG GLN A 128 -2.392 19.973 -7.589 1.00 23.42 C ATOM 2005 CD GLN A 128 -3.125 20.726 -6.491 1.00 54.45 C ATOM 2006 OE1 GLN A 128 -4.256 20.403 -6.130 1.00 24.40 O ATOM 2007 NE2 GLN A 128 -2.485 21.723 -5.941 1.00 51.20 N ATOM 0 H GLN A 128 -0.449 17.489 -6.632 1.00 50.43 H new ATOM 0 HA GLN A 128 -3.156 18.100 -5.597 1.00 10.21 H new ATOM 0 HB2 GLN A 128 -2.202 18.036 -8.478 1.00 41.40 H new ATOM 0 HB3 GLN A 128 -3.819 18.412 -7.918 1.00 41.40 H new ATOM 0 HG2 GLN A 128 -1.318 20.062 -7.425 1.00 23.42 H new ATOM 0 HG3 GLN A 128 -2.608 20.444 -8.548 1.00 23.42 H new ATOM 0 HE21 GLN A 128 -1.548 21.967 -6.262 1.00 51.20 H new ATOM 0 HE22 GLN A 128 -2.922 22.258 -5.190 1.00 51.20 H new ATOM 2016 N TRP A 129 -3.897 15.746 -6.146 1.00 15.51 N ATOM 2017 CA TRP A 129 -4.244 14.339 -6.323 1.00 33.21 C ATOM 2018 C TRP A 129 -4.362 13.996 -7.803 1.00 44.23 C ATOM 2019 O TRP A 129 -4.085 12.880 -8.212 1.00 1.51 O ATOM 2020 CB TRP A 129 -5.536 13.969 -5.569 1.00 32.21 C ATOM 2021 CG TRP A 129 -5.949 12.535 -5.781 1.00 23.32 C ATOM 2022 CD1 TRP A 129 -6.888 12.083 -6.659 1.00 74.33 C ATOM 2023 CD2 TRP A 129 -5.416 11.373 -5.130 1.00 13.23 C ATOM 2024 NE1 TRP A 129 -6.971 10.722 -6.597 1.00 21.23 N ATOM 2025 CE2 TRP A 129 -6.083 10.256 -5.670 1.00 51.22 C ATOM 2026 CE3 TRP A 129 -4.444 11.167 -4.148 1.00 31.43 C ATOM 2027 CZ2 TRP A 129 -5.807 8.950 -5.264 1.00 14.11 C ATOM 2028 CZ3 TRP A 129 -4.172 9.874 -3.745 1.00 72.33 C ATOM 2029 CH2 TRP A 129 -4.853 8.780 -4.303 1.00 54.14 C ATOM 0 H TRP A 129 -4.595 16.294 -5.643 1.00 15.51 H new ATOM 0 HA TRP A 129 -3.437 13.746 -5.894 1.00 33.21 H new ATOM 0 HB2 TRP A 129 -5.392 14.147 -4.503 1.00 32.21 H new ATOM 0 HB3 TRP A 129 -6.342 14.626 -5.896 1.00 32.21 H new ATOM 0 HD1 TRP A 129 -7.480 12.710 -7.309 1.00 74.33 H new ATOM 0 HE1 TRP A 129 -7.598 10.143 -7.156 1.00 21.23 H new ATOM 0 HE3 TRP A 129 -3.916 12.002 -3.712 1.00 31.43 H new ATOM 0 HZ2 TRP A 129 -6.328 8.107 -5.693 1.00 14.11 H new ATOM 0 HZ3 TRP A 129 -3.422 9.701 -2.987 1.00 72.33 H new ATOM 0 HH2 TRP A 129 -4.617 7.782 -3.964 1.00 54.14 H new ATOM 2040 N GLU A 130 -4.748 14.980 -8.592 1.00 3.52 N ATOM 2041 CA GLU A 130 -4.857 14.843 -10.036 1.00 63.32 C ATOM 2042 C GLU A 130 -3.522 14.374 -10.627 1.00 71.13 C ATOM 2043 O GLU A 130 -3.480 13.479 -11.471 1.00 41.21 O ATOM 2044 CB GLU A 130 -5.266 16.185 -10.628 1.00 42.21 C ATOM 2045 CG GLU A 130 -5.424 16.200 -12.131 1.00 31.22 C ATOM 2046 CD GLU A 130 -5.929 17.524 -12.612 1.00 71.14 C ATOM 2047 OE1 GLU A 130 -7.168 17.703 -12.672 1.00 63.35 O ATOM 2048 OE2 GLU A 130 -5.110 18.418 -12.920 1.00 60.03 O ATOM 0 H GLU A 130 -4.998 15.907 -8.248 1.00 3.52 H new ATOM 0 HA GLU A 130 -5.612 14.096 -10.280 1.00 63.32 H new ATOM 0 HB2 GLU A 130 -6.209 16.492 -10.176 1.00 42.21 H new ATOM 0 HB3 GLU A 130 -4.521 16.930 -10.349 1.00 42.21 H new ATOM 0 HG2 GLU A 130 -4.465 15.981 -12.602 1.00 31.22 H new ATOM 0 HG3 GLU A 130 -6.115 15.413 -12.434 1.00 31.22 H new ATOM 2055 N ASN A 131 -2.439 14.951 -10.126 1.00 52.21 N ATOM 2056 CA ASN A 131 -1.089 14.598 -10.574 1.00 3.24 C ATOM 2057 C ASN A 131 -0.774 13.183 -10.137 1.00 21.50 C ATOM 2058 O ASN A 131 -0.260 12.387 -10.905 1.00 52.33 O ATOM 2059 CB ASN A 131 -0.036 15.570 -9.998 1.00 73.14 C ATOM 2060 CG ASN A 131 -0.103 17.009 -10.534 1.00 0.34 C ATOM 2061 OD1 ASN A 131 -1.257 17.449 -10.981 1.00 50.20 O flip ATOM 2062 ND2 ASN A 131 0.904 17.712 -10.563 1.00 42.40 N flip ATOM 0 H ASN A 131 -2.464 15.671 -9.404 1.00 52.21 H new ATOM 0 HA ASN A 131 -1.054 14.670 -11.661 1.00 3.24 H new ATOM 0 HB2 ASN A 131 -0.147 15.599 -8.914 1.00 73.14 H new ATOM 0 HB3 ASN A 131 0.956 15.169 -10.206 1.00 73.14 H new ATOM 0 HD21 ASN A 131 1.790 17.349 -10.210 1.00 42.40 H new ATOM 0 HD22 ASN A 131 0.854 18.659 -10.940 1.00 42.40 H new ATOM 2069 N VAL A 132 -1.128 12.878 -8.891 1.00 21.03 N ATOM 2070 CA VAL A 132 -0.923 11.552 -8.305 1.00 25.14 C ATOM 2071 C VAL A 132 -1.676 10.481 -9.103 1.00 53.15 C ATOM 2072 O VAL A 132 -1.109 9.455 -9.472 1.00 12.24 O ATOM 2073 CB VAL A 132 -1.397 11.517 -6.823 1.00 34.33 C ATOM 2074 CG1 VAL A 132 -1.213 10.132 -6.216 1.00 4.45 C ATOM 2075 CG2 VAL A 132 -0.662 12.566 -5.996 1.00 52.12 C ATOM 0 H VAL A 132 -1.567 13.544 -8.256 1.00 21.03 H new ATOM 0 HA VAL A 132 0.146 11.341 -8.341 1.00 25.14 H new ATOM 0 HB VAL A 132 -2.462 11.750 -6.810 1.00 34.33 H new ATOM 0 HG11 VAL A 132 -1.553 10.140 -5.180 1.00 4.45 H new ATOM 0 HG12 VAL A 132 -1.795 9.406 -6.783 1.00 4.45 H new ATOM 0 HG13 VAL A 132 -0.159 9.857 -6.249 1.00 4.45 H new ATOM 0 HG21 VAL A 132 -1.009 12.524 -4.964 1.00 52.12 H new ATOM 0 HG22 VAL A 132 0.410 12.369 -6.027 1.00 52.12 H new ATOM 0 HG23 VAL A 132 -0.860 13.557 -6.405 1.00 52.12 H new ATOM 2085 N SER A 133 -2.941 10.746 -9.368 1.00 52.25 N ATOM 2086 CA SER A 133 -3.798 9.841 -10.103 1.00 1.12 C ATOM 2087 C SER A 133 -3.201 9.551 -11.488 1.00 71.54 C ATOM 2088 O SER A 133 -3.090 8.386 -11.894 1.00 2.50 O ATOM 2089 CB SER A 133 -5.221 10.447 -10.209 1.00 70.03 C ATOM 2090 OG SER A 133 -6.143 9.566 -10.841 1.00 72.01 O ATOM 0 H SER A 133 -3.406 11.605 -9.075 1.00 52.25 H new ATOM 0 HA SER A 133 -3.870 8.891 -9.573 1.00 1.12 H new ATOM 0 HB2 SER A 133 -5.583 10.692 -9.211 1.00 70.03 H new ATOM 0 HB3 SER A 133 -5.174 11.381 -10.769 1.00 70.03 H new ATOM 0 HG SER A 133 -7.025 9.991 -10.883 1.00 72.01 H new ATOM 2096 N ALA A 134 -2.779 10.609 -12.188 1.00 35.01 N ATOM 2097 CA ALA A 134 -2.168 10.467 -13.503 1.00 33.14 C ATOM 2098 C ALA A 134 -0.880 9.660 -13.414 1.00 74.54 C ATOM 2099 O ALA A 134 -0.656 8.755 -14.201 1.00 0.10 O ATOM 2100 CB ALA A 134 -1.904 11.835 -14.120 1.00 33.24 C ATOM 0 H ALA A 134 -2.852 11.572 -11.861 1.00 35.01 H new ATOM 0 HA ALA A 134 -2.863 9.928 -14.147 1.00 33.14 H new ATOM 0 HB1 ALA A 134 -1.447 11.709 -15.102 1.00 33.24 H new ATOM 0 HB2 ALA A 134 -2.845 12.375 -14.224 1.00 33.24 H new ATOM 0 HB3 ALA A 134 -1.230 12.401 -13.476 1.00 33.24 H new ATOM 2106 N MET A 135 -0.073 9.987 -12.423 1.00 61.45 N ATOM 2107 CA MET A 135 1.211 9.337 -12.133 1.00 21.14 C ATOM 2108 C MET A 135 1.047 7.841 -11.970 1.00 4.33 C ATOM 2109 O MET A 135 1.808 7.052 -12.544 1.00 5.31 O ATOM 2110 CB MET A 135 1.764 9.907 -10.832 1.00 23.34 C ATOM 2111 CG MET A 135 3.063 9.296 -10.372 1.00 43.42 C ATOM 2112 SD MET A 135 3.585 9.944 -8.778 1.00 22.54 S ATOM 2113 CE MET A 135 3.757 11.674 -9.157 1.00 61.51 C ATOM 0 H MET A 135 -0.292 10.738 -11.769 1.00 61.45 H new ATOM 0 HA MET A 135 1.888 9.524 -12.967 1.00 21.14 H new ATOM 0 HB2 MET A 135 1.908 10.980 -10.955 1.00 23.34 H new ATOM 0 HB3 MET A 135 1.019 9.773 -10.048 1.00 23.34 H new ATOM 0 HG2 MET A 135 2.951 8.214 -10.304 1.00 43.42 H new ATOM 0 HG3 MET A 135 3.838 9.490 -11.114 1.00 43.42 H new ATOM 0 HE1 MET A 135 4.352 12.159 -8.383 1.00 61.51 H new ATOM 0 HE2 MET A 135 4.254 11.788 -10.121 1.00 61.51 H new ATOM 0 HE3 MET A 135 2.771 12.137 -9.200 1.00 61.51 H new ATOM 2123 N ILE A 136 0.055 7.455 -11.198 1.00 3.12 N ATOM 2124 CA ILE A 136 -0.237 6.057 -10.959 1.00 63.45 C ATOM 2125 C ILE A 136 -0.559 5.362 -12.278 1.00 52.52 C ATOM 2126 O ILE A 136 -0.091 4.251 -12.544 1.00 42.02 O ATOM 2127 CB ILE A 136 -1.400 5.905 -9.940 1.00 50.40 C ATOM 2128 CG1 ILE A 136 -0.964 6.452 -8.569 1.00 54.13 C ATOM 2129 CG2 ILE A 136 -1.876 4.461 -9.829 1.00 43.03 C ATOM 2130 CD1 ILE A 136 -2.030 6.379 -7.495 1.00 54.31 C ATOM 0 H ILE A 136 -0.572 8.100 -10.718 1.00 3.12 H new ATOM 0 HA ILE A 136 0.642 5.579 -10.525 1.00 63.45 H new ATOM 0 HB ILE A 136 -2.247 6.487 -10.302 1.00 50.40 H new ATOM 0 HG12 ILE A 136 -0.088 5.897 -8.232 1.00 54.13 H new ATOM 0 HG13 ILE A 136 -0.656 7.491 -8.688 1.00 54.13 H new ATOM 0 HG21 ILE A 136 -2.689 4.401 -9.106 1.00 43.03 H new ATOM 0 HG22 ILE A 136 -2.229 4.118 -10.802 1.00 43.03 H new ATOM 0 HG23 ILE A 136 -1.050 3.830 -9.500 1.00 43.03 H new ATOM 0 HD11 ILE A 136 -1.636 6.785 -6.563 1.00 54.31 H new ATOM 0 HD12 ILE A 136 -2.899 6.959 -7.805 1.00 54.31 H new ATOM 0 HD13 ILE A 136 -2.322 5.340 -7.343 1.00 54.31 H new ATOM 2142 N GLU A 137 -1.309 6.046 -13.120 1.00 13.34 N ATOM 2143 CA GLU A 137 -1.661 5.524 -14.418 1.00 21.05 C ATOM 2144 C GLU A 137 -0.433 5.438 -15.319 1.00 1.45 C ATOM 2145 O GLU A 137 -0.299 4.497 -16.085 1.00 73.41 O ATOM 2146 CB GLU A 137 -2.711 6.391 -15.084 1.00 11.02 C ATOM 2147 CG GLU A 137 -3.983 6.555 -14.292 1.00 24.14 C ATOM 2148 CD GLU A 137 -4.999 7.356 -15.039 1.00 32.44 C ATOM 2149 OE1 GLU A 137 -4.851 8.595 -15.138 1.00 52.51 O ATOM 2150 OE2 GLU A 137 -5.962 6.761 -15.547 1.00 54.30 O ATOM 0 H GLU A 137 -1.687 6.972 -12.922 1.00 13.34 H new ATOM 0 HA GLU A 137 -2.067 4.524 -14.269 1.00 21.05 H new ATOM 0 HB2 GLU A 137 -2.285 7.377 -15.270 1.00 11.02 H new ATOM 0 HB3 GLU A 137 -2.956 5.961 -16.055 1.00 11.02 H new ATOM 0 HG2 GLU A 137 -4.395 5.573 -14.057 1.00 24.14 H new ATOM 0 HG3 GLU A 137 -3.761 7.043 -13.343 1.00 24.14 H new ATOM 2157 N GLU A 138 0.460 6.423 -15.211 1.00 62.32 N ATOM 2158 CA GLU A 138 1.663 6.476 -16.044 1.00 23.14 C ATOM 2159 C GLU A 138 2.632 5.358 -15.700 1.00 33.53 C ATOM 2160 O GLU A 138 3.163 4.688 -16.594 1.00 55.50 O ATOM 2161 CB GLU A 138 2.395 7.813 -15.918 1.00 43.21 C ATOM 2162 CG GLU A 138 1.563 9.038 -16.211 1.00 22.15 C ATOM 2163 CD GLU A 138 2.409 10.273 -16.290 1.00 3.31 C ATOM 2164 OE1 GLU A 138 2.866 10.755 -15.251 1.00 34.04 O ATOM 2165 OE2 GLU A 138 2.644 10.767 -17.411 1.00 43.41 O ATOM 0 H GLU A 138 0.373 7.197 -14.553 1.00 62.32 H new ATOM 0 HA GLU A 138 1.318 6.357 -17.071 1.00 23.14 H new ATOM 0 HB2 GLU A 138 2.791 7.897 -14.906 1.00 43.21 H new ATOM 0 HB3 GLU A 138 3.250 7.805 -16.595 1.00 43.21 H new ATOM 0 HG2 GLU A 138 1.030 8.900 -17.152 1.00 22.15 H new ATOM 0 HG3 GLU A 138 0.809 9.161 -15.433 1.00 22.15 H new ATOM 2172 N VAL A 139 2.876 5.164 -14.413 1.00 20.05 N ATOM 2173 CA VAL A 139 3.794 4.126 -13.962 1.00 62.10 C ATOM 2174 C VAL A 139 3.204 2.721 -14.213 1.00 61.35 C ATOM 2175 O VAL A 139 3.887 1.827 -14.719 1.00 41.43 O ATOM 2176 CB VAL A 139 4.194 4.306 -12.458 1.00 64.13 C ATOM 2177 CG1 VAL A 139 5.114 3.182 -12.011 1.00 74.14 C ATOM 2178 CG2 VAL A 139 4.883 5.663 -12.232 1.00 32.30 C ATOM 0 H VAL A 139 2.453 5.710 -13.663 1.00 20.05 H new ATOM 0 HA VAL A 139 4.706 4.226 -14.550 1.00 62.10 H new ATOM 0 HB VAL A 139 3.281 4.275 -11.864 1.00 64.13 H new ATOM 0 HG11 VAL A 139 5.381 3.325 -10.964 1.00 74.14 H new ATOM 0 HG12 VAL A 139 4.604 2.226 -12.128 1.00 74.14 H new ATOM 0 HG13 VAL A 139 6.018 3.188 -12.620 1.00 74.14 H new ATOM 0 HG21 VAL A 139 5.151 5.764 -11.180 1.00 32.30 H new ATOM 0 HG22 VAL A 139 5.784 5.720 -12.843 1.00 32.30 H new ATOM 0 HG23 VAL A 139 4.203 6.467 -12.512 1.00 32.30 H new ATOM 2188 N PHE A 140 1.937 2.549 -13.897 1.00 61.21 N ATOM 2189 CA PHE A 140 1.257 1.274 -14.106 1.00 54.11 C ATOM 2190 C PHE A 140 0.920 0.970 -15.554 1.00 12.34 C ATOM 2191 O PHE A 140 0.584 -0.154 -15.863 1.00 1.12 O ATOM 2192 CB PHE A 140 0.027 1.090 -13.230 1.00 40.34 C ATOM 2193 CG PHE A 140 0.313 0.637 -11.833 1.00 41.30 C ATOM 2194 CD1 PHE A 140 0.488 -0.711 -11.575 1.00 1.34 C ATOM 2195 CD2 PHE A 140 0.372 1.522 -10.777 1.00 65.13 C ATOM 2196 CE1 PHE A 140 0.710 -1.163 -10.313 1.00 3.43 C ATOM 2197 CE2 PHE A 140 0.607 1.061 -9.495 1.00 54.24 C ATOM 2198 CZ PHE A 140 0.772 -0.297 -9.280 1.00 52.12 C ATOM 0 H PHE A 140 1.349 3.277 -13.492 1.00 61.21 H new ATOM 0 HA PHE A 140 2.004 0.544 -13.795 1.00 54.11 H new ATOM 0 HB2 PHE A 140 -0.515 2.035 -13.187 1.00 40.34 H new ATOM 0 HB3 PHE A 140 -0.634 0.364 -13.704 1.00 40.34 H new ATOM 0 HD1 PHE A 140 0.447 -1.417 -12.391 1.00 1.34 H new ATOM 0 HD2 PHE A 140 0.234 2.579 -10.952 1.00 65.13 H new ATOM 0 HE1 PHE A 140 0.837 -2.221 -10.136 1.00 3.43 H new ATOM 0 HE2 PHE A 140 0.661 1.754 -8.668 1.00 54.24 H new ATOM 0 HZ PHE A 140 0.951 -0.665 -8.281 1.00 52.12 H new ATOM 2208 N GLU A 141 0.982 1.963 -16.412 1.00 44.22 N ATOM 2209 CA GLU A 141 0.624 1.851 -17.825 1.00 1.02 C ATOM 2210 C GLU A 141 1.221 0.606 -18.517 1.00 2.44 C ATOM 2211 O GLU A 141 0.522 -0.107 -19.238 1.00 24.33 O ATOM 2212 CB GLU A 141 1.047 3.129 -18.523 1.00 41.40 C ATOM 2213 CG GLU A 141 0.721 3.202 -19.975 1.00 14.55 C ATOM 2214 CD GLU A 141 1.153 4.510 -20.557 1.00 64.00 C ATOM 2215 OE1 GLU A 141 2.367 4.700 -20.775 1.00 23.04 O ATOM 2216 OE2 GLU A 141 0.296 5.387 -20.770 1.00 13.31 O ATOM 0 H GLU A 141 1.290 2.899 -16.149 1.00 44.22 H new ATOM 0 HA GLU A 141 -0.455 1.717 -17.894 1.00 1.02 H new ATOM 0 HB2 GLU A 141 0.574 3.972 -18.019 1.00 41.40 H new ATOM 0 HB3 GLU A 141 2.124 3.249 -18.403 1.00 41.40 H new ATOM 0 HG2 GLU A 141 1.213 2.385 -20.503 1.00 14.55 H new ATOM 0 HG3 GLU A 141 -0.352 3.073 -20.117 1.00 14.55 H new ATOM 2223 N ALA A 142 2.472 0.335 -18.261 1.00 40.23 N ATOM 2224 CA ALA A 142 3.157 -0.811 -18.878 1.00 60.24 C ATOM 2225 C ALA A 142 2.847 -2.144 -18.169 1.00 74.41 C ATOM 2226 O ALA A 142 3.358 -3.199 -18.557 1.00 72.33 O ATOM 2227 CB ALA A 142 4.659 -0.574 -18.923 1.00 73.44 C ATOM 0 H ALA A 142 3.055 0.884 -17.629 1.00 40.23 H new ATOM 0 HA ALA A 142 2.774 -0.895 -19.895 1.00 60.24 H new ATOM 0 HB1 ALA A 142 5.149 -1.432 -19.383 1.00 73.44 H new ATOM 0 HB2 ALA A 142 4.869 0.321 -19.509 1.00 73.44 H new ATOM 0 HB3 ALA A 142 5.037 -0.440 -17.909 1.00 73.44 H new ATOM 2233 N THR A 143 2.018 -2.097 -17.156 1.00 14.24 N ATOM 2234 CA THR A 143 1.650 -3.282 -16.393 1.00 63.53 C ATOM 2235 C THR A 143 0.120 -3.390 -16.378 1.00 70.53 C ATOM 2236 O THR A 143 -0.560 -2.500 -16.891 1.00 4.34 O ATOM 2237 CB THR A 143 2.161 -3.178 -14.914 1.00 21.14 C ATOM 2238 OG1 THR A 143 1.562 -2.051 -14.274 1.00 70.24 O ATOM 2239 CG2 THR A 143 3.677 -3.018 -14.855 1.00 33.33 C ATOM 0 H THR A 143 1.574 -1.238 -16.830 1.00 14.24 H new ATOM 0 HA THR A 143 2.103 -4.158 -16.857 1.00 63.53 H new ATOM 0 HB THR A 143 1.884 -4.101 -14.405 1.00 21.14 H new ATOM 0 HG1 THR A 143 1.129 -1.485 -14.947 1.00 70.24 H new ATOM 0 HG21 THR A 143 3.995 -2.949 -13.815 1.00 33.33 H new ATOM 0 HG22 THR A 143 4.152 -3.880 -15.324 1.00 33.33 H new ATOM 0 HG23 THR A 143 3.968 -2.111 -15.384 1.00 33.33 H new ATOM 2247 N ASP A 144 -0.425 -4.432 -15.801 1.00 62.32 N ATOM 2248 CA ASP A 144 -1.875 -4.528 -15.674 1.00 3.23 C ATOM 2249 C ASP A 144 -2.245 -4.950 -14.272 1.00 1.12 C ATOM 2250 O ASP A 144 -2.278 -6.137 -13.943 1.00 41.31 O ATOM 2251 CB ASP A 144 -2.503 -5.453 -16.718 1.00 31.13 C ATOM 2252 CG ASP A 144 -4.015 -5.481 -16.613 1.00 44.34 C ATOM 2253 OD1 ASP A 144 -4.658 -4.491 -16.993 1.00 52.43 O ATOM 2254 OD2 ASP A 144 -4.577 -6.499 -16.177 1.00 1.32 O ATOM 0 H ASP A 144 0.096 -5.219 -15.414 1.00 62.32 H new ATOM 0 HA ASP A 144 -2.285 -3.537 -15.866 1.00 3.23 H new ATOM 0 HB2 ASP A 144 -2.215 -5.123 -17.716 1.00 31.13 H new ATOM 0 HB3 ASP A 144 -2.112 -6.462 -16.591 1.00 31.13 H new ATOM 2259 N ILE A 145 -2.428 -3.963 -13.423 1.00 33.22 N ATOM 2260 CA ILE A 145 -2.725 -4.175 -12.028 1.00 71.00 C ATOM 2261 C ILE A 145 -3.881 -3.254 -11.622 1.00 42.14 C ATOM 2262 O ILE A 145 -4.016 -2.143 -12.159 1.00 55.22 O ATOM 2263 CB ILE A 145 -1.428 -3.914 -11.158 1.00 42.14 C ATOM 2264 CG1 ILE A 145 -0.313 -4.840 -11.665 1.00 15.14 C ATOM 2265 CG2 ILE A 145 -1.687 -4.140 -9.669 1.00 74.43 C ATOM 2266 CD1 ILE A 145 1.040 -4.550 -11.136 1.00 32.52 C ATOM 0 H ILE A 145 -2.374 -2.979 -13.688 1.00 33.22 H new ATOM 0 HA ILE A 145 -3.031 -5.207 -11.855 1.00 71.00 H new ATOM 0 HB ILE A 145 -1.129 -2.871 -11.266 1.00 42.14 H new ATOM 0 HG12 ILE A 145 -0.572 -5.867 -11.410 1.00 15.14 H new ATOM 0 HG13 ILE A 145 -0.280 -4.780 -12.753 1.00 15.14 H new ATOM 0 HG21 ILE A 145 -0.772 -3.950 -9.108 1.00 74.43 H new ATOM 0 HG22 ILE A 145 -2.469 -3.461 -9.329 1.00 74.43 H new ATOM 0 HG23 ILE A 145 -2.005 -5.170 -9.507 1.00 74.43 H new ATOM 0 HD11 ILE A 145 1.754 -5.259 -11.555 1.00 32.52 H new ATOM 0 HD12 ILE A 145 1.330 -3.537 -11.414 1.00 32.52 H new ATOM 0 HD13 ILE A 145 1.033 -4.641 -10.050 1.00 32.52 H new ATOM 2278 N LYS A 146 -4.715 -3.740 -10.737 1.00 30.21 N ATOM 2279 CA LYS A 146 -5.863 -3.048 -10.219 1.00 61.44 C ATOM 2280 C LYS A 146 -5.433 -2.109 -9.123 1.00 71.24 C ATOM 2281 O LYS A 146 -4.588 -2.462 -8.293 1.00 43.24 O ATOM 2282 CB LYS A 146 -6.768 -4.086 -9.619 1.00 52.31 C ATOM 2283 CG LYS A 146 -7.948 -3.563 -8.857 1.00 50.42 C ATOM 2284 CD LYS A 146 -8.538 -4.700 -8.107 1.00 34.51 C ATOM 2285 CE LYS A 146 -9.680 -4.309 -7.199 1.00 31.33 C ATOM 2286 NZ LYS A 146 -10.141 -5.461 -6.392 1.00 4.43 N ATOM 0 H LYS A 146 -4.604 -4.673 -10.341 1.00 30.21 H new ATOM 0 HA LYS A 146 -6.359 -2.483 -11.008 1.00 61.44 H new ATOM 0 HB2 LYS A 146 -7.133 -4.729 -10.420 1.00 52.31 H new ATOM 0 HB3 LYS A 146 -6.177 -4.713 -8.951 1.00 52.31 H new ATOM 0 HG2 LYS A 146 -7.642 -2.771 -8.173 1.00 50.42 H new ATOM 0 HG3 LYS A 146 -8.682 -3.131 -9.537 1.00 50.42 H new ATOM 0 HD2 LYS A 146 -8.892 -5.447 -8.818 1.00 34.51 H new ATOM 0 HD3 LYS A 146 -7.758 -5.172 -7.510 1.00 34.51 H new ATOM 0 HE2 LYS A 146 -9.363 -3.502 -6.538 1.00 31.33 H new ATOM 0 HE3 LYS A 146 -10.508 -3.925 -7.796 1.00 31.33 H new ATOM 0 HZ1 LYS A 146 -10.937 -5.167 -5.790 1.00 4.43 H new ATOM 0 HZ2 LYS A 146 -10.449 -6.227 -7.025 1.00 4.43 H new ATOM 0 HZ3 LYS A 146 -9.361 -5.800 -5.793 1.00 4.43 H new ATOM 2300 N ILE A 147 -6.018 -0.947 -9.099 1.00 1.43 N ATOM 2301 CA ILE A 147 -5.679 0.045 -8.110 1.00 11.21 C ATOM 2302 C ILE A 147 -6.970 0.426 -7.418 1.00 72.05 C ATOM 2303 O ILE A 147 -7.915 0.894 -8.059 1.00 63.10 O ATOM 2304 CB ILE A 147 -5.107 1.345 -8.749 1.00 43.21 C ATOM 2305 CG1 ILE A 147 -4.078 1.059 -9.875 1.00 64.34 C ATOM 2306 CG2 ILE A 147 -4.497 2.234 -7.673 1.00 33.25 C ATOM 2307 CD1 ILE A 147 -2.872 0.255 -9.477 1.00 73.53 C ATOM 0 H ILE A 147 -6.740 -0.657 -9.759 1.00 1.43 H new ATOM 0 HA ILE A 147 -4.925 -0.371 -7.442 1.00 11.21 H new ATOM 0 HB ILE A 147 -5.941 1.867 -9.218 1.00 43.21 H new ATOM 0 HG12 ILE A 147 -4.589 0.535 -10.682 1.00 64.34 H new ATOM 0 HG13 ILE A 147 -3.737 2.012 -10.279 1.00 64.34 H new ATOM 0 HG21 ILE A 147 -4.100 3.140 -8.131 1.00 33.25 H new ATOM 0 HG22 ILE A 147 -5.263 2.501 -6.945 1.00 33.25 H new ATOM 0 HG23 ILE A 147 -3.691 1.698 -7.172 1.00 33.25 H new ATOM 0 HD11 ILE A 147 -2.224 0.118 -10.343 1.00 73.53 H new ATOM 0 HD12 ILE A 147 -2.325 0.782 -8.695 1.00 73.53 H new ATOM 0 HD13 ILE A 147 -3.191 -0.719 -9.104 1.00 73.53 H new ATOM 2319 N THR A 148 -7.049 0.219 -6.159 1.00 12.42 N ATOM 2320 CA THR A 148 -8.239 0.565 -5.460 1.00 52.33 C ATOM 2321 C THR A 148 -7.930 1.480 -4.302 1.00 23.22 C ATOM 2322 O THR A 148 -7.242 1.106 -3.356 1.00 53.15 O ATOM 2323 CB THR A 148 -9.001 -0.689 -5.014 1.00 13.23 C ATOM 2324 OG1 THR A 148 -9.248 -1.483 -6.182 1.00 5.32 O ATOM 2325 CG2 THR A 148 -10.334 -0.315 -4.391 1.00 20.53 C ATOM 0 H THR A 148 -6.309 -0.187 -5.586 1.00 12.42 H new ATOM 0 HA THR A 148 -8.893 1.110 -6.141 1.00 52.33 H new ATOM 0 HB THR A 148 -8.412 -1.232 -4.275 1.00 13.23 H new ATOM 0 HG1 THR A 148 -10.214 -1.599 -6.300 1.00 5.32 H new ATOM 0 HG21 THR A 148 -10.858 -1.220 -4.082 1.00 20.53 H new ATOM 0 HG22 THR A 148 -10.164 0.321 -3.522 1.00 20.53 H new ATOM 0 HG23 THR A 148 -10.939 0.223 -5.121 1.00 20.53 H new ATOM 2333 N VAL A 149 -8.434 2.674 -4.404 1.00 24.51 N ATOM 2334 CA VAL A 149 -8.216 3.689 -3.434 1.00 64.21 C ATOM 2335 C VAL A 149 -9.419 3.788 -2.537 1.00 44.24 C ATOM 2336 O VAL A 149 -10.529 4.072 -2.994 1.00 71.33 O ATOM 2337 CB VAL A 149 -7.928 5.061 -4.107 1.00 34.55 C ATOM 2338 CG1 VAL A 149 -7.776 6.167 -3.073 1.00 74.33 C ATOM 2339 CG2 VAL A 149 -6.670 4.974 -4.957 1.00 51.01 C ATOM 0 H VAL A 149 -9.021 2.969 -5.184 1.00 24.51 H new ATOM 0 HA VAL A 149 -7.340 3.423 -2.842 1.00 64.21 H new ATOM 0 HB VAL A 149 -8.780 5.305 -4.742 1.00 34.55 H new ATOM 0 HG11 VAL A 149 -7.576 7.112 -3.578 1.00 74.33 H new ATOM 0 HG12 VAL A 149 -8.696 6.253 -2.494 1.00 74.33 H new ATOM 0 HG13 VAL A 149 -6.948 5.930 -2.405 1.00 74.33 H new ATOM 0 HG21 VAL A 149 -6.478 5.940 -5.423 1.00 51.01 H new ATOM 0 HG22 VAL A 149 -5.823 4.701 -4.327 1.00 51.01 H new ATOM 0 HG23 VAL A 149 -6.805 4.218 -5.731 1.00 51.01 H new ATOM 2349 N TYR A 150 -9.211 3.531 -1.286 1.00 33.24 N ATOM 2350 CA TYR A 150 -10.263 3.604 -0.327 1.00 42.01 C ATOM 2351 C TYR A 150 -10.314 4.959 0.304 1.00 3.23 C ATOM 2352 O TYR A 150 -9.407 5.364 1.045 1.00 70.21 O ATOM 2353 CB TYR A 150 -10.181 2.485 0.707 1.00 71.51 C ATOM 2354 CG TYR A 150 -10.453 1.124 0.111 1.00 14.44 C ATOM 2355 CD1 TYR A 150 -11.751 0.647 0.008 1.00 35.34 C ATOM 2356 CD2 TYR A 150 -9.429 0.322 -0.356 1.00 63.44 C ATOM 2357 CE1 TYR A 150 -12.015 -0.583 -0.540 1.00 15.33 C ATOM 2358 CE2 TYR A 150 -9.693 -0.910 -0.907 1.00 41.01 C ATOM 2359 CZ TYR A 150 -10.988 -1.357 -0.996 1.00 12.32 C ATOM 2360 OH TYR A 150 -11.252 -2.591 -1.546 1.00 60.21 O ATOM 0 H TYR A 150 -8.305 3.264 -0.901 1.00 33.24 H new ATOM 0 HA TYR A 150 -11.204 3.453 -0.857 1.00 42.01 H new ATOM 0 HB2 TYR A 150 -9.190 2.487 1.162 1.00 71.51 H new ATOM 0 HB3 TYR A 150 -10.898 2.679 1.504 1.00 71.51 H new ATOM 0 HD1 TYR A 150 -12.569 1.255 0.366 1.00 35.34 H new ATOM 0 HD2 TYR A 150 -8.408 0.667 -0.287 1.00 63.44 H new ATOM 0 HE1 TYR A 150 -13.033 -0.937 -0.610 1.00 15.33 H new ATOM 0 HE2 TYR A 150 -8.883 -1.525 -1.269 1.00 41.01 H new ATOM 0 HH TYR A 150 -10.411 -3.013 -1.822 1.00 60.21 H new ATOM 2370 N THR A 151 -11.368 5.644 0.009 1.00 14.10 N ATOM 2371 CA THR A 151 -11.572 6.980 0.420 1.00 33.11 C ATOM 2372 C THR A 151 -12.335 7.072 1.738 1.00 55.00 C ATOM 2373 O THR A 151 -13.477 6.603 1.858 1.00 2.21 O ATOM 2374 CB THR A 151 -12.317 7.728 -0.689 1.00 14.13 C ATOM 2375 OG1 THR A 151 -13.376 6.889 -1.199 1.00 21.20 O ATOM 2376 CG2 THR A 151 -11.375 8.122 -1.818 1.00 14.14 C ATOM 0 H THR A 151 -12.136 5.268 -0.547 1.00 14.10 H new ATOM 0 HA THR A 151 -10.599 7.439 0.595 1.00 33.11 H new ATOM 0 HB THR A 151 -12.737 8.643 -0.271 1.00 14.13 H new ATOM 0 HG1 THR A 151 -13.839 6.456 -0.452 1.00 21.20 H new ATOM 0 HG21 THR A 151 -11.934 8.651 -2.590 1.00 14.14 H new ATOM 0 HG22 THR A 151 -10.591 8.771 -1.428 1.00 14.14 H new ATOM 0 HG23 THR A 151 -10.925 7.226 -2.246 1.00 14.14 H new ATOM 2384 N LEU A 152 -11.685 7.680 2.706 1.00 34.03 N ATOM 2385 CA LEU A 152 -12.212 7.908 4.027 1.00 25.43 C ATOM 2386 C LEU A 152 -11.222 8.778 4.773 1.00 14.42 C ATOM 2387 O LEU A 152 -11.506 9.971 4.985 1.00 38.16 O ATOM 2388 CB LEU A 152 -12.460 6.586 4.790 1.00 44.23 C ATOM 2389 CG LEU A 152 -13.057 6.723 6.205 1.00 4.04 C ATOM 2390 CD1 LEU A 152 -14.399 7.443 6.164 1.00 64.22 C ATOM 2391 CD2 LEU A 152 -13.219 5.356 6.848 1.00 54.10 C ATOM 2392 OXT LEU A 152 -10.104 8.290 5.069 1.00 38.16 O ATOM 0 H LEU A 152 -10.739 8.042 2.586 1.00 34.03 H new ATOM 0 HA LEU A 152 -13.180 8.402 3.949 1.00 25.43 H new ATOM 0 HB2 LEU A 152 -13.129 5.966 4.194 1.00 44.23 H new ATOM 0 HB3 LEU A 152 -11.513 6.051 4.867 1.00 44.23 H new ATOM 0 HG LEU A 152 -12.367 7.316 6.805 1.00 4.04 H new ATOM 0 HD11 LEU A 152 -14.798 7.526 7.175 1.00 64.22 H new ATOM 0 HD12 LEU A 152 -14.264 8.440 5.744 1.00 64.22 H new ATOM 0 HD13 LEU A 152 -15.096 6.879 5.544 1.00 64.22 H new ATOM 0 HD21 LEU A 152 -13.642 5.471 7.846 1.00 54.10 H new ATOM 0 HD22 LEU A 152 -13.886 4.745 6.240 1.00 54.10 H new ATOM 0 HD23 LEU A 152 -12.246 4.870 6.920 1.00 54.10 H new TER 2404 LEU A 152