USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 93 HIS HE2 : A 93 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 108 ASN : amide:sc= 0.861 K(o=2.1,f=-8.9!) USER MOD Set 1.2: A 137 LYS NZ :NH3+ -111:sc= 1.04 (180deg=0) USER MOD Set 1.3: A 140 ASN : amide:sc= 0.176 X(o=2.1,f=2.1) USER MOD Set 2.1: A 99 ASN : amide:sc= 1.2 X(o=-2,f=-2.3) USER MOD Set 2.2: A 101 SER OG : rot 93:sc= -0.202! USER MOD Set 2.3: A 141 GLN : amide:sc= -2.97! X(o=-2!,f=-2.3) USER MOD Set 3.1: A 95 ASN : amide:sc= 0.408 X(o=0.24,f=-0.2) USER MOD Set 3.2: A 139 ASN : amide:sc= -0.17 K(o=0.24,f=-2.4!) USER MOD Set 4.1: A 60 ASN : amide:sc= -0.0184 K(o=-0.028,f=-1.1) USER MOD Set 4.2: A 62 GLN : amide:sc= -0.0092 K(o=-0.028,f=-10!) USER MOD Set 5.1: A -6 HIS : no HD1:sc= -0.178 X(o=0.76,f=1.1) USER MOD Set 5.2: A 61 GLN : amide:sc= 1.14 K(o=0.76,f=-2) USER MOD Set 5.3: A 63 ASN : amide:sc= -0.201 K(o=0.76,f=-2!) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.392 K(o=-0.39,f=-1.7) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET CE :methyl -142:sc= -0.181 (180deg=-0.795) USER MOD Single : A -8 MET N :NH3+ -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0.996 (180deg=0.445) USER MOD Single : A 65 LYS NZ :NH3+ -177:sc= 1.03 (180deg=0.902) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 151:sc= -0.639! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.228 USER MOD Single : A 75 CYS SG : rot -162:sc= -7.45! USER MOD Single : A 76 THR OG1 : rot -32:sc= 0.467 USER MOD Single : A 78 GLN : amide:sc= -1.15 K(o=-1.2,f=-4.9!) USER MOD Single : A 79 THR OG1 : rot 150:sc= 0.16 USER MOD Single : A 83 ASN : amide:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 84 MET CE :methyl -169:sc=-0.00927 (180deg=-0.201) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -162:sc= -5.11! USER MOD Single : A 107 CYS SG : rot 48:sc= -5.1! USER MOD Single : A 111 THR OG1 : rot 66:sc= 1.12 USER MOD Single : A 112 LYS NZ :NH3+ 167:sc= 1.98 (180deg=1.44) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 78:sc= 0.128 USER MOD Single : A 121 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7.5!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -149:sc= -0.763 USER MOD Single : A 130 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.52) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 159:sc= -0.234 (180deg=-0.776) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 146 GLN : amide:sc= -0.975 X(o=-0.97,f=-1.2) USER MOD Single : A 147 THR OG1 : rot -160:sc= -1.91 USER MOD Single : A 149 ASN : amide:sc= -2.59! K(o=-2.6!,f=-0.37) USER MOD Single : A 152 THR OG1 : rot -85:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -21.437 1.404 -14.238 1.00 63.15 N ATOM 2 CA MET A -8 -20.230 0.646 -13.915 1.00 14.21 C ATOM 3 C MET A -8 -19.788 -0.131 -15.119 1.00 13.24 C ATOM 4 O MET A -8 -20.580 -0.889 -15.705 1.00 53.31 O ATOM 5 CB MET A -8 -20.478 -0.352 -12.776 1.00 73.14 C ATOM 6 CG MET A -8 -20.823 0.260 -11.434 1.00 65.04 C ATOM 7 SD MET A -8 -21.164 -0.985 -10.172 1.00 15.40 S ATOM 8 CE MET A -8 -22.569 -1.848 -10.894 1.00 22.33 C ATOM 0 H1 MET A -8 -21.704 1.995 -13.425 1.00 63.15 H new ATOM 0 H2 MET A -8 -21.255 2.012 -15.062 1.00 63.15 H new ATOM 0 H3 MET A -8 -22.212 0.746 -14.457 1.00 63.15 H new ATOM 0 HA MET A -8 -19.468 1.361 -13.605 1.00 14.21 H new ATOM 0 HB2 MET A -8 -21.289 -1.018 -13.071 1.00 73.14 H new ATOM 0 HB3 MET A -8 -19.587 -0.968 -12.656 1.00 73.14 H new ATOM 0 HG2 MET A -8 -19.998 0.891 -11.103 1.00 65.04 H new ATOM 0 HG3 MET A -8 -21.693 0.906 -11.546 1.00 65.04 H new ATOM 0 HE1 MET A -8 -23.276 -2.113 -10.108 1.00 22.33 H new ATOM 0 HE2 MET A -8 -23.059 -1.200 -11.621 1.00 22.33 H new ATOM 0 HE3 MET A -8 -22.223 -2.754 -11.391 1.00 22.33 H new ATOM 17 N ALA A -7 -18.555 0.056 -15.503 1.00 10.03 N ATOM 18 CA ALA A -7 -17.977 -0.675 -16.588 1.00 32.24 C ATOM 19 C ALA A -7 -16.575 -1.085 -16.206 1.00 15.11 C ATOM 20 O ALA A -7 -15.640 -0.329 -16.370 1.00 63.34 O ATOM 21 CB ALA A -7 -17.978 0.150 -17.865 1.00 72.15 C ATOM 0 H ALA A -7 -17.922 0.726 -15.066 1.00 10.03 H new ATOM 0 HA ALA A -7 -18.574 -1.566 -16.784 1.00 32.24 H new ATOM 0 HB1 ALA A -7 -17.533 -0.430 -18.673 1.00 72.15 H new ATOM 0 HB2 ALA A -7 -19.003 0.412 -18.128 1.00 72.15 H new ATOM 0 HB3 ALA A -7 -17.399 1.060 -17.710 1.00 72.15 H new ATOM 27 N HIS A -6 -16.464 -2.246 -15.604 1.00 62.10 N ATOM 28 CA HIS A -6 -15.182 -2.772 -15.154 1.00 50.43 C ATOM 29 C HIS A -6 -14.562 -3.628 -16.239 1.00 13.34 C ATOM 30 O HIS A -6 -13.369 -3.934 -16.211 1.00 35.02 O ATOM 31 CB HIS A -6 -15.347 -3.606 -13.868 1.00 1.13 C ATOM 32 CG HIS A -6 -15.893 -2.842 -12.692 1.00 61.55 C ATOM 33 ND1 HIS A -6 -17.088 -3.135 -12.062 1.00 61.15 N ATOM 34 CD2 HIS A -6 -15.371 -1.793 -12.020 1.00 15.21 C ATOM 35 CE1 HIS A -6 -17.251 -2.272 -11.058 1.00 42.55 C ATOM 36 NE2 HIS A -6 -16.232 -1.432 -10.987 1.00 0.21 N ATOM 0 H HIS A -6 -17.256 -2.858 -15.409 1.00 62.10 H new ATOM 0 HA HIS A -6 -14.527 -1.928 -14.938 1.00 50.43 H new ATOM 0 HB2 HIS A -6 -16.009 -4.446 -14.078 1.00 1.13 H new ATOM 0 HB3 HIS A -6 -14.378 -4.024 -13.595 1.00 1.13 H new ATOM 0 HD2 HIS A -6 -14.432 -1.310 -12.248 1.00 15.21 H new ATOM 0 HE1 HIS A -6 -18.101 -2.261 -10.392 1.00 42.55 H new ATOM 0 HE2 HIS A -6 -16.103 -0.676 -10.315 1.00 0.21 H new ATOM 44 N HIS A -5 -15.377 -4.031 -17.178 1.00 1.10 N ATOM 45 CA HIS A -5 -14.919 -4.840 -18.287 1.00 13.24 C ATOM 46 C HIS A -5 -14.698 -3.951 -19.474 1.00 72.53 C ATOM 47 O HIS A -5 -15.548 -3.870 -20.369 1.00 15.01 O ATOM 48 CB HIS A -5 -15.920 -5.955 -18.627 1.00 51.25 C ATOM 49 CG HIS A -5 -16.078 -6.979 -17.549 1.00 52.42 C ATOM 50 ND1 HIS A -5 -15.513 -8.224 -17.601 1.00 30.13 N ATOM 51 CD2 HIS A -5 -16.747 -6.920 -16.370 1.00 32.11 C ATOM 52 CE1 HIS A -5 -15.835 -8.871 -16.489 1.00 74.43 C ATOM 53 NE2 HIS A -5 -16.590 -8.125 -15.699 1.00 64.44 N ATOM 0 H HIS A -5 -16.373 -3.811 -17.200 1.00 1.10 H new ATOM 0 HA HIS A -5 -13.984 -5.326 -18.006 1.00 13.24 H new ATOM 0 HB2 HIS A -5 -16.892 -5.506 -18.833 1.00 51.25 H new ATOM 0 HB3 HIS A -5 -15.598 -6.452 -19.542 1.00 51.25 H new ATOM 0 HD2 HIS A -5 -17.311 -6.072 -16.011 1.00 32.11 H new ATOM 0 HE1 HIS A -5 -15.521 -9.878 -16.258 1.00 74.43 H new ATOM 0 HE2 HIS A -5 -16.975 -8.381 -14.790 1.00 64.44 H new ATOM 61 N HIS A -4 -13.587 -3.233 -19.447 1.00 21.25 N ATOM 62 CA HIS A -4 -13.268 -2.211 -20.448 1.00 11.25 C ATOM 63 C HIS A -4 -14.341 -1.120 -20.486 1.00 13.33 C ATOM 64 O HIS A -4 -15.152 -1.030 -19.555 1.00 23.31 O ATOM 65 CB HIS A -4 -12.983 -2.806 -21.829 1.00 61.33 C ATOM 66 CG HIS A -4 -11.664 -3.506 -21.902 1.00 32.22 C ATOM 67 ND1 HIS A -4 -10.477 -2.870 -22.191 1.00 10.43 N ATOM 68 CD2 HIS A -4 -11.352 -4.803 -21.701 1.00 34.14 C ATOM 69 CE1 HIS A -4 -9.504 -3.773 -22.156 1.00 43.13 C ATOM 70 NE2 HIS A -4 -9.978 -4.974 -21.861 1.00 52.34 N ATOM 0 H HIS A -4 -12.872 -3.339 -18.727 1.00 21.25 H new ATOM 0 HA HIS A -4 -12.337 -1.737 -20.138 1.00 11.25 H new ATOM 0 HB2 HIS A -4 -13.776 -3.508 -22.087 1.00 61.33 H new ATOM 0 HB3 HIS A -4 -13.008 -2.010 -22.574 1.00 61.33 H new ATOM 0 HD2 HIS A -4 -12.055 -5.585 -21.455 1.00 34.14 H new ATOM 0 HE1 HIS A -4 -8.463 -3.556 -22.344 1.00 43.13 H new ATOM 0 HE2 HIS A -4 -9.449 -5.841 -21.770 1.00 52.34 H new ATOM 78 N HIS A -3 -14.294 -0.234 -21.509 1.00 11.33 N ATOM 79 CA HIS A -3 -15.213 0.945 -21.660 1.00 62.21 C ATOM 80 C HIS A -3 -14.796 2.062 -20.664 1.00 23.33 C ATOM 81 O HIS A -3 -15.020 3.266 -20.883 1.00 11.15 O ATOM 82 CB HIS A -3 -16.699 0.517 -21.498 1.00 71.33 C ATOM 83 CG HIS A -3 -17.727 1.578 -21.734 1.00 52.42 C ATOM 84 ND1 HIS A -3 -18.578 2.055 -20.757 1.00 42.31 N ATOM 85 CD2 HIS A -3 -18.097 2.193 -22.881 1.00 12.41 C ATOM 86 CE1 HIS A -3 -19.420 2.910 -21.327 1.00 3.40 C ATOM 87 NE2 HIS A -3 -19.171 3.035 -22.619 1.00 74.11 N ATOM 0 H HIS A -3 -13.614 -0.309 -22.266 1.00 11.33 H new ATOM 0 HA HIS A -3 -15.123 1.351 -22.667 1.00 62.21 H new ATOM 0 HB2 HIS A -3 -16.894 -0.306 -22.185 1.00 71.33 H new ATOM 0 HB3 HIS A -3 -16.834 0.129 -20.489 1.00 71.33 H new ATOM 0 HD2 HIS A -3 -17.632 2.052 -23.846 1.00 12.41 H new ATOM 0 HE1 HIS A -3 -20.205 3.434 -20.803 1.00 3.40 H new ATOM 0 HE2 HIS A -3 -19.665 3.627 -23.286 1.00 74.11 H new ATOM 95 N HIS A -2 -14.206 1.615 -19.587 1.00 10.21 N ATOM 96 CA HIS A -2 -13.574 2.388 -18.574 1.00 63.12 C ATOM 97 C HIS A -2 -12.699 1.396 -17.801 1.00 75.14 C ATOM 98 O HIS A -2 -13.077 0.899 -16.753 1.00 61.51 O ATOM 99 CB HIS A -2 -14.619 3.057 -17.659 1.00 44.14 C ATOM 100 CG HIS A -2 -14.048 3.953 -16.608 1.00 3.51 C ATOM 101 ND1 HIS A -2 -14.506 4.003 -15.321 1.00 35.30 N ATOM 102 CD2 HIS A -2 -13.059 4.872 -16.688 1.00 31.41 C ATOM 103 CE1 HIS A -2 -13.808 4.925 -14.669 1.00 24.02 C ATOM 104 NE2 HIS A -2 -12.908 5.490 -15.456 1.00 13.13 N ATOM 0 H HIS A -2 -14.156 0.616 -19.388 1.00 10.21 H new ATOM 0 HA HIS A -2 -12.981 3.203 -18.989 1.00 63.12 H new ATOM 0 HB2 HIS A -2 -15.305 3.636 -18.277 1.00 44.14 H new ATOM 0 HB3 HIS A -2 -15.207 2.279 -17.173 1.00 44.14 H new ATOM 0 HD2 HIS A -2 -12.478 5.090 -17.572 1.00 31.41 H new ATOM 0 HE1 HIS A -2 -13.956 5.181 -13.630 1.00 24.02 H new ATOM 0 HE2 HIS A -2 -12.244 6.224 -15.209 1.00 13.13 H new ATOM 112 N HIS A -1 -11.579 1.036 -18.398 1.00 22.31 N ATOM 113 CA HIS A -1 -10.714 -0.008 -17.852 1.00 52.41 C ATOM 114 C HIS A -1 -9.875 0.534 -16.709 1.00 23.01 C ATOM 115 O HIS A -1 -9.976 0.065 -15.565 1.00 70.20 O ATOM 116 CB HIS A -1 -9.809 -0.589 -18.959 1.00 11.41 C ATOM 117 CG HIS A -1 -9.014 -1.804 -18.550 1.00 11.32 C ATOM 118 ND1 HIS A -1 -7.676 -1.783 -18.215 1.00 2.13 N ATOM 119 CD2 HIS A -1 -9.396 -3.097 -18.470 1.00 74.51 C ATOM 120 CE1 HIS A -1 -7.296 -3.031 -17.953 1.00 44.33 C ATOM 121 NE2 HIS A -1 -8.306 -3.878 -18.091 1.00 30.14 N ATOM 0 H HIS A -1 -11.240 1.450 -19.266 1.00 22.31 H new ATOM 0 HA HIS A -1 -11.344 -0.808 -17.463 1.00 52.41 H new ATOM 0 HB2 HIS A -1 -10.429 -0.849 -19.817 1.00 11.41 H new ATOM 0 HB3 HIS A -1 -9.118 0.187 -19.289 1.00 11.41 H new ATOM 0 HD2 HIS A -1 -10.391 -3.468 -18.669 1.00 74.51 H new ATOM 0 HE1 HIS A -1 -6.295 -3.317 -17.665 1.00 44.33 H new ATOM 0 HE2 HIS A -1 -8.289 -4.888 -17.950 1.00 30.14 H new ATOM 129 N ASN A 60 -9.062 1.517 -16.998 1.00 15.44 N ATOM 130 CA ASN A 60 -8.229 2.092 -15.977 1.00 50.12 C ATOM 131 C ASN A 60 -9.013 3.165 -15.293 1.00 22.35 C ATOM 132 O ASN A 60 -9.100 4.297 -15.760 1.00 31.13 O ATOM 133 CB ASN A 60 -6.925 2.646 -16.533 1.00 51.32 C ATOM 134 CG ASN A 60 -5.966 3.056 -15.433 1.00 65.23 C ATOM 135 OD1 ASN A 60 -5.978 2.486 -14.328 1.00 52.04 O ATOM 136 ND2 ASN A 60 -5.134 4.015 -15.708 1.00 50.24 N ATOM 0 H ASN A 60 -8.960 1.932 -17.924 1.00 15.44 H new ATOM 0 HA ASN A 60 -7.946 1.312 -15.270 1.00 50.12 H new ATOM 0 HB2 ASN A 60 -6.452 1.894 -17.164 1.00 51.32 H new ATOM 0 HB3 ASN A 60 -7.138 3.506 -17.167 1.00 51.32 H new ATOM 0 HD21 ASN A 60 -4.461 4.323 -15.006 1.00 50.24 H new ATOM 0 HD22 ASN A 60 -5.153 4.459 -16.626 1.00 50.24 H new ATOM 143 N GLN A 61 -9.627 2.792 -14.217 1.00 61.23 N ATOM 144 CA GLN A 61 -10.541 3.655 -13.528 1.00 64.04 C ATOM 145 C GLN A 61 -9.839 4.453 -12.470 1.00 35.22 C ATOM 146 O GLN A 61 -10.328 5.510 -12.063 1.00 75.23 O ATOM 147 CB GLN A 61 -11.631 2.818 -12.885 1.00 2.11 C ATOM 148 CG GLN A 61 -12.247 1.818 -13.833 1.00 65.11 C ATOM 149 CD GLN A 61 -13.396 1.063 -13.239 1.00 5.04 C ATOM 150 OE1 GLN A 61 -13.471 0.846 -12.029 1.00 2.01 O ATOM 151 NE2 GLN A 61 -14.278 0.628 -14.074 1.00 13.34 N ATOM 0 H GLN A 61 -9.510 1.875 -13.786 1.00 61.23 H new ATOM 0 HA GLN A 61 -10.973 4.348 -14.251 1.00 64.04 H new ATOM 0 HB2 GLN A 61 -11.216 2.289 -12.027 1.00 2.11 H new ATOM 0 HB3 GLN A 61 -12.411 3.478 -12.505 1.00 2.11 H new ATOM 0 HG2 GLN A 61 -12.588 2.339 -14.727 1.00 65.11 H new ATOM 0 HG3 GLN A 61 -11.481 1.110 -14.149 1.00 65.11 H new ATOM 0 HE21 GLN A 61 -14.181 0.829 -15.069 1.00 13.34 H new ATOM 0 HE22 GLN A 61 -15.073 0.083 -13.739 1.00 13.34 H new ATOM 160 N GLN A 62 -8.706 3.923 -12.004 1.00 65.31 N ATOM 161 CA GLN A 62 -7.885 4.486 -10.909 1.00 71.32 C ATOM 162 C GLN A 62 -8.585 4.239 -9.560 1.00 24.43 C ATOM 163 O GLN A 62 -7.970 3.772 -8.601 1.00 1.20 O ATOM 164 CB GLN A 62 -7.549 5.994 -11.113 1.00 32.43 C ATOM 165 CG GLN A 62 -6.897 6.346 -12.468 1.00 4.42 C ATOM 166 CD GLN A 62 -5.528 5.711 -12.705 1.00 65.10 C ATOM 167 OE1 GLN A 62 -5.226 4.632 -12.208 1.00 44.30 O ATOM 168 NE2 GLN A 62 -4.702 6.366 -13.480 1.00 63.10 N ATOM 0 H GLN A 62 -8.315 3.062 -12.385 1.00 65.31 H new ATOM 0 HA GLN A 62 -6.925 3.970 -10.915 1.00 71.32 H new ATOM 0 HB2 GLN A 62 -8.468 6.571 -11.009 1.00 32.43 H new ATOM 0 HB3 GLN A 62 -6.881 6.312 -10.313 1.00 32.43 H new ATOM 0 HG2 GLN A 62 -7.568 6.037 -13.269 1.00 4.42 H new ATOM 0 HG3 GLN A 62 -6.796 7.429 -12.536 1.00 4.42 H new ATOM 0 HE21 GLN A 62 -4.980 7.262 -13.880 1.00 63.10 H new ATOM 0 HE22 GLN A 62 -3.780 5.980 -13.684 1.00 63.10 H new ATOM 177 N ASN A 63 -9.878 4.541 -9.533 1.00 0.33 N ATOM 178 CA ASN A 63 -10.799 4.301 -8.422 1.00 3.23 C ATOM 179 C ASN A 63 -10.409 5.075 -7.184 1.00 54.34 C ATOM 180 O ASN A 63 -10.747 6.257 -7.051 1.00 25.25 O ATOM 181 CB ASN A 63 -10.985 2.793 -8.113 1.00 42.20 C ATOM 182 CG ASN A 63 -11.438 1.989 -9.320 1.00 4.23 C ATOM 183 OD1 ASN A 63 -10.610 1.472 -10.075 1.00 62.23 O ATOM 184 ND2 ASN A 63 -12.719 1.862 -9.513 1.00 3.41 N ATOM 0 H ASN A 63 -10.339 4.984 -10.327 1.00 0.33 H new ATOM 0 HA ASN A 63 -11.769 4.675 -8.749 1.00 3.23 H new ATOM 0 HB2 ASN A 63 -10.044 2.385 -7.744 1.00 42.20 H new ATOM 0 HB3 ASN A 63 -11.717 2.680 -7.313 1.00 42.20 H new ATOM 0 HD21 ASN A 63 -13.064 1.323 -10.307 1.00 3.41 H new ATOM 0 HD22 ASN A 63 -13.378 2.302 -8.870 1.00 3.41 H new ATOM 191 N LYS A 64 -9.704 4.441 -6.283 1.00 34.02 N ATOM 192 CA LYS A 64 -9.269 5.117 -5.102 1.00 73.21 C ATOM 193 C LYS A 64 -7.870 5.673 -5.317 1.00 73.43 C ATOM 194 O LYS A 64 -7.504 6.686 -4.717 1.00 3.22 O ATOM 195 CB LYS A 64 -9.335 4.196 -3.881 1.00 1.32 C ATOM 196 CG LYS A 64 -9.219 4.939 -2.558 1.00 32.40 C ATOM 197 CD LYS A 64 -9.458 4.017 -1.377 1.00 71.21 C ATOM 198 CE LYS A 64 -9.608 4.800 -0.074 1.00 32.43 C ATOM 199 NZ LYS A 64 -10.736 5.770 -0.131 1.00 54.04 N ATOM 0 H LYS A 64 -9.423 3.463 -6.349 1.00 34.02 H new ATOM 0 HA LYS A 64 -9.942 5.951 -4.902 1.00 73.21 H new ATOM 0 HB2 LYS A 64 -10.276 3.647 -3.900 1.00 1.32 H new ATOM 0 HB3 LYS A 64 -8.535 3.459 -3.947 1.00 1.32 H new ATOM 0 HG2 LYS A 64 -8.228 5.386 -2.477 1.00 32.40 H new ATOM 0 HG3 LYS A 64 -9.940 5.756 -2.534 1.00 32.40 H new ATOM 0 HD2 LYS A 64 -10.357 3.426 -1.552 1.00 71.21 H new ATOM 0 HD3 LYS A 64 -8.628 3.316 -1.288 1.00 71.21 H new ATOM 0 HE2 LYS A 64 -9.769 4.105 0.750 1.00 32.43 H new ATOM 0 HE3 LYS A 64 -8.681 5.334 0.136 1.00 32.43 H new ATOM 0 HZ1 LYS A 64 -10.899 6.168 0.816 1.00 54.04 H new ATOM 0 HZ2 LYS A 64 -10.501 6.537 -0.794 1.00 54.04 H new ATOM 0 HZ3 LYS A 64 -11.596 5.283 -0.455 1.00 54.04 H new ATOM 213 N LYS A 65 -7.120 5.022 -6.231 1.00 23.52 N ATOM 214 CA LYS A 65 -5.722 5.346 -6.555 1.00 15.45 C ATOM 215 C LYS A 65 -4.831 5.053 -5.336 1.00 31.53 C ATOM 216 O LYS A 65 -4.167 4.031 -5.262 1.00 4.24 O ATOM 217 CB LYS A 65 -5.624 6.830 -7.106 1.00 42.44 C ATOM 218 CG LYS A 65 -4.271 7.310 -7.675 1.00 61.11 C ATOM 219 CD LYS A 65 -3.222 7.496 -6.599 1.00 60.51 C ATOM 220 CE LYS A 65 -1.918 8.023 -7.130 1.00 14.14 C ATOM 221 NZ LYS A 65 -2.027 9.404 -7.637 1.00 42.11 N ATOM 0 H LYS A 65 -7.482 4.239 -6.775 1.00 23.52 H new ATOM 0 HA LYS A 65 -5.348 4.712 -7.359 1.00 15.45 H new ATOM 0 HB2 LYS A 65 -6.374 6.944 -7.889 1.00 42.44 H new ATOM 0 HB3 LYS A 65 -5.903 7.505 -6.297 1.00 42.44 H new ATOM 0 HG2 LYS A 65 -3.911 6.587 -8.407 1.00 61.11 H new ATOM 0 HG3 LYS A 65 -4.416 8.253 -8.203 1.00 61.11 H new ATOM 0 HD2 LYS A 65 -3.603 8.183 -5.843 1.00 60.51 H new ATOM 0 HD3 LYS A 65 -3.046 6.542 -6.103 1.00 60.51 H new ATOM 0 HE2 LYS A 65 -1.168 7.988 -6.340 1.00 14.14 H new ATOM 0 HE3 LYS A 65 -1.567 7.373 -7.931 1.00 14.14 H new ATOM 0 HZ1 LYS A 65 -1.114 9.700 -8.037 1.00 42.11 H new ATOM 0 HZ2 LYS A 65 -2.758 9.446 -8.375 1.00 42.11 H new ATOM 0 HZ3 LYS A 65 -2.286 10.041 -6.857 1.00 42.11 H new ATOM 235 N VAL A 66 -4.882 5.951 -4.438 1.00 44.01 N ATOM 236 CA VAL A 66 -4.278 5.976 -3.174 1.00 44.53 C ATOM 237 C VAL A 66 -4.573 7.391 -2.724 1.00 73.31 C ATOM 238 O VAL A 66 -4.662 8.283 -3.584 1.00 4.23 O ATOM 239 CB VAL A 66 -2.726 5.697 -3.190 1.00 2.53 C ATOM 240 CG1 VAL A 66 -1.866 6.935 -3.429 1.00 54.01 C ATOM 241 CG2 VAL A 66 -2.338 5.007 -1.925 1.00 72.44 C ATOM 0 H VAL A 66 -5.423 6.801 -4.597 1.00 44.01 H new ATOM 0 HA VAL A 66 -4.658 5.190 -2.521 1.00 44.53 H new ATOM 0 HB VAL A 66 -2.529 5.054 -4.048 1.00 2.53 H new ATOM 0 HG11 VAL A 66 -0.813 6.653 -3.425 1.00 54.01 H new ATOM 0 HG12 VAL A 66 -2.120 7.374 -4.394 1.00 54.01 H new ATOM 0 HG13 VAL A 66 -2.050 7.664 -2.639 1.00 54.01 H new ATOM 0 HG21 VAL A 66 -1.266 4.812 -1.931 1.00 72.44 H new ATOM 0 HG22 VAL A 66 -2.587 5.641 -1.074 1.00 72.44 H new ATOM 0 HG23 VAL A 66 -2.878 4.064 -1.845 1.00 72.44 H new ATOM 251 N GLU A 67 -4.842 7.619 -1.483 1.00 22.54 N ATOM 252 CA GLU A 67 -5.120 8.979 -1.068 1.00 0.34 C ATOM 253 C GLU A 67 -4.449 9.325 0.235 1.00 45.04 C ATOM 254 O GLU A 67 -3.662 10.276 0.312 1.00 74.51 O ATOM 255 CB GLU A 67 -6.629 9.267 -1.065 1.00 2.44 C ATOM 256 CG GLU A 67 -7.453 8.253 -0.304 1.00 63.14 C ATOM 257 CD GLU A 67 -8.929 8.515 -0.396 1.00 22.23 C ATOM 258 OE1 GLU A 67 -9.459 9.246 0.447 1.00 5.20 O ATOM 259 OE2 GLU A 67 -9.604 7.959 -1.302 1.00 71.32 O ATOM 0 H GLU A 67 -4.879 6.914 -0.747 1.00 22.54 H new ATOM 0 HA GLU A 67 -4.680 9.645 -1.810 1.00 0.34 H new ATOM 0 HB2 GLU A 67 -6.798 10.253 -0.633 1.00 2.44 H new ATOM 0 HB3 GLU A 67 -6.982 9.305 -2.096 1.00 2.44 H new ATOM 0 HG2 GLU A 67 -7.241 7.256 -0.690 1.00 63.14 H new ATOM 0 HG3 GLU A 67 -7.152 8.260 0.744 1.00 63.14 H new ATOM 266 N GLY A 68 -4.689 8.535 1.234 1.00 43.14 N ATOM 267 CA GLY A 68 -4.067 8.777 2.476 1.00 2.21 C ATOM 268 C GLY A 68 -4.186 7.614 3.366 1.00 23.51 C ATOM 269 O GLY A 68 -5.177 7.440 4.059 1.00 33.40 O ATOM 0 H GLY A 68 -5.308 7.725 1.205 1.00 43.14 H new ATOM 0 HA2 GLY A 68 -3.014 9.012 2.319 1.00 2.21 H new ATOM 0 HA3 GLY A 68 -4.520 9.648 2.949 1.00 2.21 H new ATOM 273 N GLY A 69 -3.218 6.799 3.297 1.00 61.30 N ATOM 274 CA GLY A 69 -3.158 5.662 4.128 1.00 12.34 C ATOM 275 C GLY A 69 -2.526 4.510 3.449 1.00 61.30 C ATOM 276 O GLY A 69 -1.827 4.669 2.446 1.00 0.25 O ATOM 0 H GLY A 69 -2.431 6.898 2.656 1.00 61.30 H new ATOM 0 HA2 GLY A 69 -2.597 5.903 5.031 1.00 12.34 H new ATOM 0 HA3 GLY A 69 -4.166 5.389 4.442 1.00 12.34 H new ATOM 280 N TYR A 70 -2.807 3.352 3.940 1.00 1.13 N ATOM 281 CA TYR A 70 -2.220 2.151 3.444 1.00 54.32 C ATOM 282 C TYR A 70 -3.250 1.383 2.717 1.00 55.53 C ATOM 283 O TYR A 70 -4.283 1.002 3.278 1.00 31.10 O ATOM 284 CB TYR A 70 -1.611 1.342 4.591 1.00 12.41 C ATOM 285 CG TYR A 70 -0.808 2.189 5.561 1.00 51.51 C ATOM 286 CD1 TYR A 70 0.252 2.977 5.128 1.00 1.12 C ATOM 287 CD2 TYR A 70 -1.152 2.242 6.899 1.00 5.41 C ATOM 288 CE1 TYR A 70 0.944 3.781 6.010 1.00 43.40 C ATOM 289 CE2 TYR A 70 -0.477 3.048 7.777 1.00 45.34 C ATOM 290 CZ TYR A 70 0.574 3.818 7.335 1.00 61.02 C ATOM 291 OH TYR A 70 1.249 4.636 8.221 1.00 61.42 O ATOM 0 H TYR A 70 -3.461 3.209 4.709 1.00 1.13 H new ATOM 0 HA TYR A 70 -1.409 2.387 2.754 1.00 54.32 H new ATOM 0 HB2 TYR A 70 -2.410 0.837 5.135 1.00 12.41 H new ATOM 0 HB3 TYR A 70 -0.967 0.566 4.177 1.00 12.41 H new ATOM 0 HD1 TYR A 70 0.538 2.960 4.087 1.00 1.12 H new ATOM 0 HD2 TYR A 70 -1.970 1.635 7.259 1.00 5.41 H new ATOM 0 HE1 TYR A 70 1.773 4.379 5.662 1.00 43.40 H new ATOM 0 HE2 TYR A 70 -0.770 3.079 8.816 1.00 45.34 H new ATOM 0 HH TYR A 70 0.859 4.542 9.115 1.00 61.42 H new ATOM 301 N GLU A 71 -3.023 1.260 1.452 1.00 2.31 N ATOM 302 CA GLU A 71 -3.867 0.520 0.596 1.00 22.24 C ATOM 303 C GLU A 71 -3.391 -0.909 0.605 1.00 0.31 C ATOM 304 O GLU A 71 -2.207 -1.164 0.744 1.00 42.43 O ATOM 305 CB GLU A 71 -3.795 1.060 -0.855 1.00 61.41 C ATOM 306 CG GLU A 71 -4.660 0.260 -1.819 1.00 34.53 C ATOM 307 CD GLU A 71 -4.419 0.523 -3.289 1.00 1.52 C ATOM 308 OE1 GLU A 71 -3.277 0.335 -3.768 1.00 73.21 O ATOM 309 OE2 GLU A 71 -5.409 0.802 -4.003 1.00 63.43 O ATOM 0 H GLU A 71 -2.224 1.684 0.980 1.00 2.31 H new ATOM 0 HA GLU A 71 -4.897 0.602 0.943 1.00 22.24 H new ATOM 0 HB2 GLU A 71 -4.112 2.103 -0.867 1.00 61.41 H new ATOM 0 HB3 GLU A 71 -2.760 1.038 -1.197 1.00 61.41 H new ATOM 0 HG2 GLU A 71 -4.499 -0.801 -1.627 1.00 34.53 H new ATOM 0 HG3 GLU A 71 -5.707 0.469 -1.598 1.00 34.53 H new ATOM 316 N CYS A 72 -4.304 -1.808 0.581 1.00 21.32 N ATOM 317 CA CYS A 72 -3.975 -3.170 0.310 1.00 0.41 C ATOM 318 C CYS A 72 -4.004 -3.355 -1.209 1.00 22.22 C ATOM 319 O CYS A 72 -4.920 -2.890 -1.885 1.00 74.03 O ATOM 320 CB CYS A 72 -5.003 -4.124 0.868 1.00 54.43 C ATOM 321 SG CYS A 72 -5.445 -3.996 2.637 1.00 74.21 S ATOM 0 H CYS A 72 -5.295 -1.630 0.746 1.00 21.32 H new ATOM 0 HA CYS A 72 -3.005 -3.380 0.761 1.00 0.41 H new ATOM 0 HB2 CYS A 72 -5.918 -4.001 0.288 1.00 54.43 H new ATOM 0 HB3 CYS A 72 -4.646 -5.138 0.688 1.00 54.43 H new ATOM 0 HG CYS A 72 -6.671 -4.392 2.808 1.00 74.21 H new ATOM 326 N LYS A 73 -3.060 -4.060 -1.720 1.00 73.42 N ATOM 327 CA LYS A 73 -2.987 -4.355 -3.137 1.00 4.40 C ATOM 328 C LYS A 73 -4.133 -5.296 -3.528 1.00 62.31 C ATOM 329 O LYS A 73 -4.596 -5.301 -4.656 1.00 11.05 O ATOM 330 CB LYS A 73 -1.579 -4.969 -3.428 1.00 72.21 C ATOM 331 CG LYS A 73 -1.260 -5.392 -4.870 1.00 12.40 C ATOM 332 CD LYS A 73 -1.894 -6.718 -5.253 1.00 65.22 C ATOM 333 CE LYS A 73 -1.540 -7.102 -6.670 1.00 43.42 C ATOM 334 NZ LYS A 73 -2.245 -8.310 -7.127 1.00 63.03 N ATOM 0 H LYS A 73 -2.298 -4.461 -1.173 1.00 73.42 H new ATOM 0 HA LYS A 73 -3.103 -3.454 -3.739 1.00 4.40 H new ATOM 0 HB2 LYS A 73 -0.828 -4.242 -3.119 1.00 72.21 H new ATOM 0 HB3 LYS A 73 -1.458 -5.844 -2.789 1.00 72.21 H new ATOM 0 HG2 LYS A 73 -1.607 -4.618 -5.555 1.00 12.40 H new ATOM 0 HG3 LYS A 73 -0.179 -5.464 -4.991 1.00 12.40 H new ATOM 0 HD2 LYS A 73 -1.558 -7.496 -4.568 1.00 65.22 H new ATOM 0 HD3 LYS A 73 -2.977 -6.649 -5.152 1.00 65.22 H new ATOM 0 HE2 LYS A 73 -1.779 -6.273 -7.337 1.00 43.42 H new ATOM 0 HE3 LYS A 73 -0.465 -7.267 -6.739 1.00 43.42 H new ATOM 0 HZ1 LYS A 73 -1.964 -8.527 -8.105 1.00 63.03 H new ATOM 0 HZ2 LYS A 73 -1.998 -9.110 -6.510 1.00 63.03 H new ATOM 0 HZ3 LYS A 73 -3.272 -8.148 -7.089 1.00 63.03 H new ATOM 348 N TYR A 74 -4.636 -6.008 -2.553 1.00 62.44 N ATOM 349 CA TYR A 74 -5.582 -7.064 -2.778 1.00 13.31 C ATOM 350 C TYR A 74 -7.004 -6.693 -2.360 1.00 43.15 C ATOM 351 O TYR A 74 -7.879 -7.557 -2.331 1.00 62.22 O ATOM 352 CB TYR A 74 -5.106 -8.364 -2.091 1.00 54.41 C ATOM 353 CG TYR A 74 -3.834 -8.212 -1.252 1.00 11.42 C ATOM 354 CD1 TYR A 74 -2.564 -8.310 -1.834 1.00 64.22 C ATOM 355 CD2 TYR A 74 -3.904 -7.970 0.111 1.00 3.53 C ATOM 356 CE1 TYR A 74 -1.420 -8.174 -1.068 1.00 53.12 C ATOM 357 CE2 TYR A 74 -2.766 -7.836 0.877 1.00 60.11 C ATOM 358 CZ TYR A 74 -1.529 -7.940 0.288 1.00 12.22 C ATOM 359 OH TYR A 74 -0.400 -7.805 1.059 1.00 63.34 O ATOM 0 H TYR A 74 -4.396 -5.868 -1.572 1.00 62.44 H new ATOM 0 HA TYR A 74 -5.627 -7.233 -3.854 1.00 13.31 H new ATOM 0 HB2 TYR A 74 -5.906 -8.735 -1.450 1.00 54.41 H new ATOM 0 HB3 TYR A 74 -4.933 -9.121 -2.856 1.00 54.41 H new ATOM 0 HD1 TYR A 74 -2.477 -8.494 -2.895 1.00 64.22 H new ATOM 0 HD2 TYR A 74 -4.872 -7.885 0.583 1.00 3.53 H new ATOM 0 HE1 TYR A 74 -0.446 -8.251 -1.529 1.00 53.12 H new ATOM 0 HE2 TYR A 74 -2.846 -7.650 1.938 1.00 60.11 H new ATOM 0 HH TYR A 74 -0.658 -7.643 1.991 1.00 63.34 H new ATOM 369 N CYS A 75 -7.243 -5.428 -2.042 1.00 40.03 N ATOM 370 CA CYS A 75 -8.600 -4.993 -1.736 1.00 63.32 C ATOM 371 C CYS A 75 -8.737 -3.495 -1.960 1.00 10.52 C ATOM 372 O CYS A 75 -7.737 -2.792 -2.058 1.00 63.24 O ATOM 373 CB CYS A 75 -9.015 -5.386 -0.299 1.00 55.01 C ATOM 374 SG CYS A 75 -8.085 -4.564 1.074 1.00 43.42 S ATOM 0 H CYS A 75 -6.532 -4.698 -1.989 1.00 40.03 H new ATOM 0 HA CYS A 75 -9.280 -5.507 -2.415 1.00 63.32 H new ATOM 0 HB2 CYS A 75 -10.075 -5.164 -0.176 1.00 55.01 H new ATOM 0 HB3 CYS A 75 -8.901 -6.465 -0.192 1.00 55.01 H new ATOM 0 HG CYS A 75 -8.243 -5.242 2.172 1.00 43.42 H new ATOM 379 N THR A 76 -9.949 -2.999 -2.025 1.00 4.10 N ATOM 380 CA THR A 76 -10.177 -1.579 -2.238 1.00 63.14 C ATOM 381 C THR A 76 -10.242 -0.831 -0.883 1.00 64.43 C ATOM 382 O THR A 76 -10.614 0.349 -0.817 1.00 43.21 O ATOM 383 CB THR A 76 -11.483 -1.332 -3.079 1.00 72.40 C ATOM 384 OG1 THR A 76 -11.595 0.057 -3.439 1.00 64.21 O ATOM 385 CG2 THR A 76 -12.737 -1.743 -2.303 1.00 55.21 C ATOM 0 H THR A 76 -10.799 -3.555 -1.934 1.00 4.10 H new ATOM 0 HA THR A 76 -9.337 -1.184 -2.809 1.00 63.14 H new ATOM 0 HB THR A 76 -11.407 -1.945 -3.977 1.00 72.40 H new ATOM 0 HG1 THR A 76 -11.204 0.611 -2.731 1.00 64.21 H new ATOM 0 HG21 THR A 76 -13.620 -1.558 -2.915 1.00 55.21 H new ATOM 0 HG22 THR A 76 -12.681 -2.803 -2.057 1.00 55.21 H new ATOM 0 HG23 THR A 76 -12.804 -1.160 -1.384 1.00 55.21 H new ATOM 393 N PHE A 77 -9.847 -1.498 0.175 1.00 22.25 N ATOM 394 CA PHE A 77 -9.906 -0.916 1.488 1.00 34.51 C ATOM 395 C PHE A 77 -8.544 -0.424 1.929 1.00 64.54 C ATOM 396 O PHE A 77 -7.561 -1.186 1.950 1.00 0.01 O ATOM 397 CB PHE A 77 -10.507 -1.895 2.497 1.00 25.25 C ATOM 398 CG PHE A 77 -11.919 -2.282 2.159 1.00 42.31 C ATOM 399 CD1 PHE A 77 -12.970 -1.449 2.488 1.00 33.24 C ATOM 400 CD2 PHE A 77 -12.190 -3.463 1.494 1.00 53.04 C ATOM 401 CE1 PHE A 77 -14.267 -1.788 2.166 1.00 74.14 C ATOM 402 CE2 PHE A 77 -13.483 -3.806 1.164 1.00 43.31 C ATOM 403 CZ PHE A 77 -14.522 -2.968 1.501 1.00 75.33 C ATOM 0 H PHE A 77 -9.480 -2.449 0.148 1.00 22.25 H new ATOM 0 HA PHE A 77 -10.565 -0.049 1.442 1.00 34.51 H new ATOM 0 HB2 PHE A 77 -9.889 -2.792 2.539 1.00 25.25 H new ATOM 0 HB3 PHE A 77 -10.485 -1.446 3.490 1.00 25.25 H new ATOM 0 HD1 PHE A 77 -12.774 -0.521 3.004 1.00 33.24 H new ATOM 0 HD2 PHE A 77 -11.378 -4.125 1.230 1.00 53.04 H new ATOM 0 HE1 PHE A 77 -15.081 -1.131 2.434 1.00 74.14 H new ATOM 0 HE2 PHE A 77 -13.681 -4.730 0.642 1.00 43.31 H new ATOM 0 HZ PHE A 77 -15.536 -3.235 1.244 1.00 75.33 H new ATOM 413 N GLN A 78 -8.505 0.842 2.262 1.00 51.43 N ATOM 414 CA GLN A 78 -7.317 1.530 2.701 1.00 24.41 C ATOM 415 C GLN A 78 -7.549 2.114 4.074 1.00 15.41 C ATOM 416 O GLN A 78 -8.679 2.501 4.404 1.00 63.52 O ATOM 417 CB GLN A 78 -6.929 2.635 1.675 1.00 4.23 C ATOM 418 CG GLN A 78 -6.054 3.770 2.226 1.00 25.12 C ATOM 419 CD GLN A 78 -5.481 4.669 1.156 1.00 53.44 C ATOM 420 OE1 GLN A 78 -6.080 5.644 0.732 1.00 35.21 O ATOM 421 NE2 GLN A 78 -4.289 4.394 0.784 1.00 0.43 N ATOM 0 H GLN A 78 -9.329 1.443 2.234 1.00 51.43 H new ATOM 0 HA GLN A 78 -6.488 0.825 2.763 1.00 24.41 H new ATOM 0 HB2 GLN A 78 -6.404 2.166 0.843 1.00 4.23 H new ATOM 0 HB3 GLN A 78 -7.844 3.068 1.271 1.00 4.23 H new ATOM 0 HG2 GLN A 78 -6.647 4.372 2.915 1.00 25.12 H new ATOM 0 HG3 GLN A 78 -5.236 3.339 2.802 1.00 25.12 H new ATOM 0 HE21 GLN A 78 -3.815 3.571 1.157 1.00 0.43 H new ATOM 0 HE22 GLN A 78 -3.812 4.997 0.114 1.00 0.43 H new ATOM 430 N THR A 79 -6.523 2.136 4.866 1.00 51.52 N ATOM 431 CA THR A 79 -6.574 2.743 6.155 1.00 72.31 C ATOM 432 C THR A 79 -5.219 3.366 6.477 1.00 65.15 C ATOM 433 O THR A 79 -4.184 2.756 6.249 1.00 73.35 O ATOM 434 CB THR A 79 -7.002 1.742 7.276 1.00 43.54 C ATOM 435 OG1 THR A 79 -6.955 2.389 8.555 1.00 54.33 O ATOM 436 CG2 THR A 79 -6.109 0.509 7.303 1.00 14.23 C ATOM 0 H THR A 79 -5.618 1.728 4.631 1.00 51.52 H new ATOM 0 HA THR A 79 -7.340 3.518 6.126 1.00 72.31 H new ATOM 0 HB THR A 79 -8.020 1.421 7.057 1.00 43.54 H new ATOM 0 HG1 THR A 79 -7.628 1.993 9.147 1.00 54.33 H new ATOM 0 HG21 THR A 79 -6.439 -0.162 8.096 1.00 14.23 H new ATOM 0 HG22 THR A 79 -6.169 -0.005 6.344 1.00 14.23 H new ATOM 0 HG23 THR A 79 -5.078 0.810 7.489 1.00 14.23 H new ATOM 444 N PRO A 80 -5.199 4.633 6.877 1.00 44.21 N ATOM 445 CA PRO A 80 -3.986 5.298 7.350 1.00 2.13 C ATOM 446 C PRO A 80 -3.537 4.816 8.730 1.00 21.53 C ATOM 447 O PRO A 80 -2.528 5.271 9.256 1.00 31.04 O ATOM 448 CB PRO A 80 -4.362 6.776 7.385 1.00 71.31 C ATOM 449 CG PRO A 80 -5.848 6.784 7.500 1.00 42.51 C ATOM 450 CD PRO A 80 -6.327 5.564 6.772 1.00 34.05 C ATOM 0 HA PRO A 80 -3.139 5.083 6.699 1.00 2.13 H new ATOM 0 HB2 PRO A 80 -3.896 7.283 8.230 1.00 71.31 H new ATOM 0 HB3 PRO A 80 -4.032 7.290 6.483 1.00 71.31 H new ATOM 0 HG2 PRO A 80 -6.158 6.762 8.545 1.00 42.51 H new ATOM 0 HG3 PRO A 80 -6.268 7.689 7.062 1.00 42.51 H new ATOM 0 HD2 PRO A 80 -7.229 5.154 7.227 1.00 34.05 H new ATOM 0 HD3 PRO A 80 -6.568 5.786 5.732 1.00 34.05 H new ATOM 458 N ASP A 81 -4.286 3.918 9.316 1.00 72.40 N ATOM 459 CA ASP A 81 -3.906 3.338 10.581 1.00 34.43 C ATOM 460 C ASP A 81 -3.187 2.049 10.328 1.00 60.21 C ATOM 461 O ASP A 81 -3.787 1.097 9.854 1.00 73.53 O ATOM 462 CB ASP A 81 -5.110 3.070 11.481 1.00 51.12 C ATOM 463 CG ASP A 81 -5.756 4.304 12.042 1.00 54.21 C ATOM 464 OD1 ASP A 81 -6.658 4.879 11.384 1.00 24.34 O ATOM 465 OD2 ASP A 81 -5.396 4.706 13.168 1.00 61.50 O ATOM 0 H ASP A 81 -5.167 3.570 8.937 1.00 72.40 H new ATOM 0 HA ASP A 81 -3.262 4.052 11.095 1.00 34.43 H new ATOM 0 HB2 ASP A 81 -5.855 2.512 10.913 1.00 51.12 H new ATOM 0 HB3 ASP A 81 -4.795 2.433 12.307 1.00 51.12 H new ATOM 470 N LEU A 82 -1.902 2.028 10.617 1.00 21.21 N ATOM 471 CA LEU A 82 -1.046 0.872 10.428 1.00 2.00 C ATOM 472 C LEU A 82 -1.633 -0.337 11.144 1.00 2.54 C ATOM 473 O LEU A 82 -1.713 -1.410 10.559 1.00 51.22 O ATOM 474 CB LEU A 82 0.364 1.172 10.979 1.00 32.01 C ATOM 475 CG LEU A 82 1.564 0.409 10.361 1.00 21.32 C ATOM 476 CD1 LEU A 82 1.385 -1.091 10.402 1.00 44.33 C ATOM 477 CD2 LEU A 82 1.800 0.869 8.950 1.00 75.13 C ATOM 0 H LEU A 82 -1.410 2.835 11.000 1.00 21.21 H new ATOM 0 HA LEU A 82 -0.977 0.652 9.363 1.00 2.00 H new ATOM 0 HB2 LEU A 82 0.549 2.239 10.859 1.00 32.01 H new ATOM 0 HB3 LEU A 82 0.354 0.968 12.050 1.00 32.01 H new ATOM 0 HG LEU A 82 2.438 0.640 10.971 1.00 21.32 H new ATOM 0 HD11 LEU A 82 2.255 -1.574 9.956 1.00 44.33 H new ATOM 0 HD12 LEU A 82 1.280 -1.417 11.437 1.00 44.33 H new ATOM 0 HD13 LEU A 82 0.491 -1.366 9.842 1.00 44.33 H new ATOM 0 HD21 LEU A 82 2.645 0.326 8.527 1.00 75.13 H new ATOM 0 HD22 LEU A 82 0.909 0.678 8.351 1.00 75.13 H new ATOM 0 HD23 LEU A 82 2.017 1.937 8.947 1.00 75.13 H new ATOM 489 N ASN A 83 -2.076 -0.145 12.390 1.00 34.50 N ATOM 490 CA ASN A 83 -2.628 -1.212 13.186 1.00 13.53 C ATOM 491 C ASN A 83 -3.796 -1.799 12.475 1.00 44.32 C ATOM 492 O ASN A 83 -3.895 -2.987 12.335 1.00 71.00 O ATOM 493 CB ASN A 83 -3.107 -0.691 14.530 1.00 44.51 C ATOM 494 CG ASN A 83 -3.622 -1.793 15.426 1.00 23.24 C ATOM 495 OD1 ASN A 83 -2.874 -2.390 16.197 1.00 61.20 O ATOM 496 ND2 ASN A 83 -4.893 -2.077 15.333 1.00 23.25 N ATOM 0 H ASN A 83 -2.056 0.759 12.863 1.00 34.50 H new ATOM 0 HA ASN A 83 -1.850 -1.959 13.344 1.00 13.53 H new ATOM 0 HB2 ASN A 83 -2.287 -0.174 15.029 1.00 44.51 H new ATOM 0 HB3 ASN A 83 -3.897 0.043 14.371 1.00 44.51 H new ATOM 0 HD21 ASN A 83 -5.294 -2.815 15.911 1.00 23.25 H new ATOM 0 HD22 ASN A 83 -5.485 -1.561 14.682 1.00 23.25 H new ATOM 503 N MET A 84 -4.647 -0.937 11.962 1.00 64.31 N ATOM 504 CA MET A 84 -5.848 -1.380 11.300 1.00 14.03 C ATOM 505 C MET A 84 -5.504 -2.004 9.985 1.00 25.40 C ATOM 506 O MET A 84 -6.156 -2.933 9.557 1.00 21.34 O ATOM 507 CB MET A 84 -6.837 -0.241 11.110 1.00 51.25 C ATOM 508 CG MET A 84 -7.146 0.493 12.393 1.00 73.41 C ATOM 509 SD MET A 84 -7.703 -0.593 13.733 1.00 1.34 S ATOM 510 CE MET A 84 -9.193 -1.288 13.016 1.00 32.54 C ATOM 0 H MET A 84 -4.526 0.075 11.992 1.00 64.31 H new ATOM 0 HA MET A 84 -6.329 -2.125 11.934 1.00 14.03 H new ATOM 0 HB2 MET A 84 -6.435 0.464 10.382 1.00 51.25 H new ATOM 0 HB3 MET A 84 -7.763 -0.637 10.692 1.00 51.25 H new ATOM 0 HG2 MET A 84 -6.255 1.030 12.718 1.00 73.41 H new ATOM 0 HG3 MET A 84 -7.915 1.240 12.198 1.00 73.41 H new ATOM 0 HE1 MET A 84 -9.752 -1.821 13.785 1.00 32.54 H new ATOM 0 HE2 MET A 84 -9.809 -0.486 12.609 1.00 32.54 H new ATOM 0 HE3 MET A 84 -8.924 -1.980 12.218 1.00 32.54 H new ATOM 520 N PHE A 85 -4.450 -1.508 9.367 1.00 13.24 N ATOM 521 CA PHE A 85 -3.976 -2.049 8.120 1.00 41.43 C ATOM 522 C PHE A 85 -3.488 -3.473 8.305 1.00 52.10 C ATOM 523 O PHE A 85 -4.002 -4.382 7.681 1.00 62.52 O ATOM 524 CB PHE A 85 -2.867 -1.159 7.524 1.00 42.23 C ATOM 525 CG PHE A 85 -2.172 -1.783 6.339 1.00 2.11 C ATOM 526 CD1 PHE A 85 -2.806 -1.886 5.096 1.00 72.42 C ATOM 527 CD2 PHE A 85 -0.884 -2.273 6.470 1.00 60.40 C ATOM 528 CE1 PHE A 85 -2.159 -2.467 4.024 1.00 1.31 C ATOM 529 CE2 PHE A 85 -0.238 -2.854 5.399 1.00 23.54 C ATOM 530 CZ PHE A 85 -0.876 -2.948 4.175 1.00 63.43 C ATOM 0 H PHE A 85 -3.904 -0.721 9.718 1.00 13.24 H new ATOM 0 HA PHE A 85 -4.808 -2.066 7.416 1.00 41.43 H new ATOM 0 HB2 PHE A 85 -3.300 -0.205 7.222 1.00 42.23 H new ATOM 0 HB3 PHE A 85 -2.129 -0.944 8.297 1.00 42.23 H new ATOM 0 HD1 PHE A 85 -3.810 -1.508 4.974 1.00 72.42 H new ATOM 0 HD2 PHE A 85 -0.379 -2.199 7.422 1.00 60.40 H new ATOM 0 HE1 PHE A 85 -2.657 -2.545 3.069 1.00 1.31 H new ATOM 0 HE2 PHE A 85 0.766 -3.235 5.516 1.00 23.54 H new ATOM 0 HZ PHE A 85 -0.368 -3.399 3.336 1.00 63.43 H new ATOM 540 N THR A 86 -2.570 -3.671 9.221 1.00 4.44 N ATOM 541 CA THR A 86 -2.013 -4.985 9.450 1.00 74.24 C ATOM 542 C THR A 86 -3.061 -5.909 10.079 1.00 13.15 C ATOM 543 O THR A 86 -3.047 -7.110 9.861 1.00 42.32 O ATOM 544 CB THR A 86 -0.680 -4.943 10.270 1.00 43.33 C ATOM 545 OG1 THR A 86 -0.180 -6.262 10.520 1.00 35.23 O ATOM 546 CG2 THR A 86 -0.847 -4.212 11.577 1.00 54.05 C ATOM 0 H THR A 86 -2.192 -2.938 9.821 1.00 4.44 H new ATOM 0 HA THR A 86 -1.741 -5.401 8.480 1.00 74.24 H new ATOM 0 HB THR A 86 0.041 -4.399 9.660 1.00 43.33 H new ATOM 0 HG1 THR A 86 0.653 -6.204 11.032 1.00 35.23 H new ATOM 0 HG21 THR A 86 0.101 -4.206 12.114 1.00 54.05 H new ATOM 0 HG22 THR A 86 -1.160 -3.186 11.383 1.00 54.05 H new ATOM 0 HG23 THR A 86 -1.603 -4.714 12.181 1.00 54.05 H new ATOM 554 N PHE A 87 -3.994 -5.324 10.810 1.00 31.41 N ATOM 555 CA PHE A 87 -5.109 -6.062 11.381 1.00 72.11 C ATOM 556 C PHE A 87 -6.015 -6.583 10.273 1.00 2.13 C ATOM 557 O PHE A 87 -6.243 -7.780 10.163 1.00 62.22 O ATOM 558 CB PHE A 87 -5.904 -5.183 12.370 1.00 21.43 C ATOM 559 CG PHE A 87 -7.242 -5.743 12.739 1.00 63.21 C ATOM 560 CD1 PHE A 87 -7.343 -6.957 13.389 1.00 4.11 C ATOM 561 CD2 PHE A 87 -8.397 -5.044 12.441 1.00 3.44 C ATOM 562 CE1 PHE A 87 -8.575 -7.469 13.740 1.00 0.33 C ATOM 563 CE2 PHE A 87 -9.635 -5.545 12.785 1.00 65.12 C ATOM 564 CZ PHE A 87 -9.723 -6.759 13.439 1.00 11.42 C ATOM 0 H PHE A 87 -4.001 -4.327 11.024 1.00 31.41 H new ATOM 0 HA PHE A 87 -4.712 -6.912 11.936 1.00 72.11 H new ATOM 0 HB2 PHE A 87 -5.314 -5.049 13.277 1.00 21.43 H new ATOM 0 HB3 PHE A 87 -6.043 -4.195 11.932 1.00 21.43 H new ATOM 0 HD1 PHE A 87 -6.447 -7.512 13.625 1.00 4.11 H new ATOM 0 HD2 PHE A 87 -8.329 -4.094 11.932 1.00 3.44 H new ATOM 0 HE1 PHE A 87 -8.643 -8.420 14.248 1.00 0.33 H new ATOM 0 HE2 PHE A 87 -10.531 -4.992 12.545 1.00 65.12 H new ATOM 0 HZ PHE A 87 -10.689 -7.154 13.715 1.00 11.42 H new ATOM 574 N HIS A 88 -6.493 -5.675 9.448 1.00 23.31 N ATOM 575 CA HIS A 88 -7.353 -5.990 8.319 1.00 62.11 C ATOM 576 C HIS A 88 -6.652 -6.944 7.342 1.00 71.31 C ATOM 577 O HIS A 88 -7.288 -7.789 6.715 1.00 61.11 O ATOM 578 CB HIS A 88 -7.826 -4.659 7.672 1.00 33.41 C ATOM 579 CG HIS A 88 -8.183 -4.693 6.218 1.00 13.23 C ATOM 580 ND1 HIS A 88 -9.363 -5.180 5.713 1.00 34.43 N ATOM 581 CD2 HIS A 88 -7.467 -4.269 5.161 1.00 43.12 C ATOM 582 CE1 HIS A 88 -9.351 -5.042 4.403 1.00 21.33 C ATOM 583 NE2 HIS A 88 -8.194 -4.486 3.991 1.00 43.11 N ATOM 0 H HIS A 88 -6.293 -4.679 9.542 1.00 23.31 H new ATOM 0 HA HIS A 88 -8.241 -6.529 8.649 1.00 62.11 H new ATOM 0 HB2 HIS A 88 -8.696 -4.305 8.225 1.00 33.41 H new ATOM 0 HB3 HIS A 88 -7.038 -3.918 7.809 1.00 33.41 H new ATOM 0 HD1 HIS A 88 -10.123 -5.582 6.261 1.00 34.43 H new ATOM 0 HD2 HIS A 88 -6.482 -3.829 5.211 1.00 43.12 H new ATOM 0 HE1 HIS A 88 -10.158 -5.335 3.748 1.00 21.33 H new ATOM 591 N VAL A 89 -5.355 -6.826 7.252 1.00 34.41 N ATOM 592 CA VAL A 89 -4.573 -7.716 6.444 1.00 11.43 C ATOM 593 C VAL A 89 -4.516 -9.078 7.095 1.00 11.31 C ATOM 594 O VAL A 89 -4.969 -10.021 6.519 1.00 11.44 O ATOM 595 CB VAL A 89 -3.147 -7.159 6.169 1.00 40.53 C ATOM 596 CG1 VAL A 89 -2.235 -8.225 5.569 1.00 22.44 C ATOM 597 CG2 VAL A 89 -3.231 -5.987 5.211 1.00 75.31 C ATOM 0 H VAL A 89 -4.813 -6.111 7.737 1.00 34.41 H new ATOM 0 HA VAL A 89 -5.059 -7.808 5.473 1.00 11.43 H new ATOM 0 HB VAL A 89 -2.726 -6.840 7.123 1.00 40.53 H new ATOM 0 HG11 VAL A 89 -1.247 -7.800 5.390 1.00 22.44 H new ATOM 0 HG12 VAL A 89 -2.150 -9.063 6.261 1.00 22.44 H new ATOM 0 HG13 VAL A 89 -2.656 -8.575 4.626 1.00 22.44 H new ATOM 0 HG21 VAL A 89 -2.230 -5.600 5.021 1.00 75.31 H new ATOM 0 HG22 VAL A 89 -3.677 -6.316 4.272 1.00 75.31 H new ATOM 0 HG23 VAL A 89 -3.846 -5.202 5.650 1.00 75.31 H new ATOM 607 N ASP A 90 -4.074 -9.140 8.341 1.00 30.33 N ATOM 608 CA ASP A 90 -3.894 -10.419 9.054 1.00 73.42 C ATOM 609 C ASP A 90 -5.216 -11.165 9.173 1.00 70.33 C ATOM 610 O ASP A 90 -5.258 -12.396 9.220 1.00 51.05 O ATOM 611 CB ASP A 90 -3.313 -10.169 10.451 1.00 15.53 C ATOM 612 CG ASP A 90 -2.992 -11.431 11.208 1.00 25.52 C ATOM 613 OD1 ASP A 90 -1.868 -11.950 11.059 1.00 70.34 O ATOM 614 OD2 ASP A 90 -3.831 -11.915 11.993 1.00 65.20 O ATOM 0 H ASP A 90 -3.828 -8.318 8.893 1.00 30.33 H new ATOM 0 HA ASP A 90 -3.200 -11.032 8.480 1.00 73.42 H new ATOM 0 HB2 ASP A 90 -2.406 -9.572 10.356 1.00 15.53 H new ATOM 0 HB3 ASP A 90 -4.024 -9.579 11.030 1.00 15.53 H new ATOM 619 N SER A 91 -6.282 -10.407 9.185 1.00 54.41 N ATOM 620 CA SER A 91 -7.610 -10.934 9.318 1.00 52.01 C ATOM 621 C SER A 91 -8.181 -11.391 7.973 1.00 65.40 C ATOM 622 O SER A 91 -8.746 -12.485 7.865 1.00 11.05 O ATOM 623 CB SER A 91 -8.511 -9.852 9.946 1.00 62.22 C ATOM 624 OG SER A 91 -9.860 -10.271 10.129 1.00 71.02 O ATOM 0 H SER A 91 -6.248 -9.391 9.101 1.00 54.41 H new ATOM 0 HA SER A 91 -7.574 -11.813 9.961 1.00 52.01 H new ATOM 0 HB2 SER A 91 -8.096 -9.560 10.911 1.00 62.22 H new ATOM 0 HB3 SER A 91 -8.497 -8.966 9.311 1.00 62.22 H new ATOM 0 HG SER A 91 -10.377 -9.542 10.531 1.00 71.02 H new ATOM 630 N GLU A 92 -8.017 -10.590 6.958 1.00 22.22 N ATOM 631 CA GLU A 92 -8.706 -10.855 5.708 1.00 51.11 C ATOM 632 C GLU A 92 -7.817 -11.406 4.608 1.00 51.02 C ATOM 633 O GLU A 92 -8.245 -12.263 3.838 1.00 64.44 O ATOM 634 CB GLU A 92 -9.452 -9.612 5.273 1.00 43.45 C ATOM 635 CG GLU A 92 -10.497 -9.217 6.291 1.00 71.01 C ATOM 636 CD GLU A 92 -11.203 -7.936 5.983 1.00 1.24 C ATOM 637 OE1 GLU A 92 -11.936 -7.876 4.986 1.00 12.14 O ATOM 638 OE2 GLU A 92 -11.048 -6.959 6.749 1.00 62.13 O ATOM 0 H GLU A 92 -7.425 -9.760 6.961 1.00 22.22 H new ATOM 0 HA GLU A 92 -9.418 -11.659 5.897 1.00 51.11 H new ATOM 0 HB2 GLU A 92 -8.748 -8.792 5.134 1.00 43.45 H new ATOM 0 HB3 GLU A 92 -9.929 -9.789 4.309 1.00 43.45 H new ATOM 0 HG2 GLU A 92 -11.235 -10.016 6.366 1.00 71.01 H new ATOM 0 HG3 GLU A 92 -10.021 -9.130 7.268 1.00 71.01 H new ATOM 645 N HIS A 93 -6.604 -10.950 4.546 1.00 13.22 N ATOM 646 CA HIS A 93 -5.658 -11.378 3.527 1.00 53.44 C ATOM 647 C HIS A 93 -4.231 -11.448 4.090 1.00 1.43 C ATOM 648 O HIS A 93 -3.383 -10.638 3.732 1.00 14.51 O ATOM 649 CB HIS A 93 -5.716 -10.470 2.260 1.00 32.24 C ATOM 650 CG HIS A 93 -6.400 -9.109 2.412 1.00 32.24 C ATOM 651 ND1 HIS A 93 -7.723 -8.895 2.096 1.00 0.30 N ATOM 652 CD2 HIS A 93 -5.914 -7.892 2.818 1.00 60.51 C ATOM 653 CE1 HIS A 93 -8.012 -7.622 2.296 1.00 33.32 C ATOM 654 NE2 HIS A 93 -6.946 -6.932 2.740 1.00 40.10 N ATOM 0 H HIS A 93 -6.227 -10.264 5.200 1.00 13.22 H new ATOM 0 HA HIS A 93 -5.950 -12.382 3.219 1.00 53.44 H new ATOM 0 HB2 HIS A 93 -4.695 -10.300 1.918 1.00 32.24 H new ATOM 0 HB3 HIS A 93 -6.229 -11.021 1.471 1.00 32.24 H new ATOM 0 HD1 HIS A 93 -8.375 -9.605 1.762 1.00 0.30 H new ATOM 0 HD2 HIS A 93 -4.903 -7.699 3.145 1.00 60.51 H new ATOM 0 HE1 HIS A 93 -8.986 -7.188 2.124 1.00 33.32 H new ATOM 662 N PRO A 94 -3.978 -12.384 5.049 1.00 72.12 N ATOM 663 CA PRO A 94 -2.684 -12.493 5.747 1.00 13.14 C ATOM 664 C PRO A 94 -1.490 -12.913 4.879 1.00 31.44 C ATOM 665 O PRO A 94 -0.370 -12.458 5.121 1.00 54.43 O ATOM 666 CB PRO A 94 -2.947 -13.561 6.818 1.00 23.51 C ATOM 667 CG PRO A 94 -4.074 -14.359 6.274 1.00 62.24 C ATOM 668 CD PRO A 94 -4.951 -13.369 5.588 1.00 42.45 C ATOM 0 HA PRO A 94 -2.387 -11.513 6.121 1.00 13.14 H new ATOM 0 HB2 PRO A 94 -2.066 -14.181 6.986 1.00 23.51 H new ATOM 0 HB3 PRO A 94 -3.206 -13.109 7.775 1.00 23.51 H new ATOM 0 HG2 PRO A 94 -3.719 -15.120 5.579 1.00 62.24 H new ATOM 0 HG3 PRO A 94 -4.610 -14.878 7.069 1.00 62.24 H new ATOM 0 HD2 PRO A 94 -5.540 -13.831 4.795 1.00 42.45 H new ATOM 0 HD3 PRO A 94 -5.655 -12.905 6.279 1.00 42.45 H new ATOM 676 N ASN A 95 -1.704 -13.772 3.897 1.00 5.21 N ATOM 677 CA ASN A 95 -0.563 -14.296 3.136 1.00 2.54 C ATOM 678 C ASN A 95 -0.650 -13.935 1.665 1.00 4.50 C ATOM 679 O ASN A 95 0.336 -13.480 1.073 1.00 43.34 O ATOM 680 CB ASN A 95 -0.436 -15.818 3.310 1.00 23.32 C ATOM 681 CG ASN A 95 0.901 -16.355 2.815 1.00 62.51 C ATOM 682 OD1 ASN A 95 1.058 -16.759 1.662 1.00 14.21 O ATOM 683 ND2 ASN A 95 1.864 -16.381 3.683 1.00 72.20 N ATOM 0 H ASN A 95 -2.620 -14.117 3.608 1.00 5.21 H new ATOM 0 HA ASN A 95 0.333 -13.825 3.539 1.00 2.54 H new ATOM 0 HB2 ASN A 95 -0.557 -16.071 4.363 1.00 23.32 H new ATOM 0 HB3 ASN A 95 -1.244 -16.310 2.769 1.00 23.32 H new ATOM 0 HD21 ASN A 95 2.780 -16.743 3.418 1.00 72.20 H new ATOM 0 HD22 ASN A 95 1.705 -16.040 4.631 1.00 72.20 H new ATOM 690 N VAL A 96 -1.849 -14.137 1.082 1.00 73.51 N ATOM 691 CA VAL A 96 -2.161 -13.832 -0.335 1.00 5.01 C ATOM 692 C VAL A 96 -1.357 -14.739 -1.276 1.00 24.11 C ATOM 693 O VAL A 96 -0.437 -15.431 -0.852 1.00 43.11 O ATOM 694 CB VAL A 96 -1.919 -12.320 -0.660 1.00 20.32 C ATOM 695 CG1 VAL A 96 -2.458 -11.921 -2.028 1.00 3.34 C ATOM 696 CG2 VAL A 96 -2.561 -11.487 0.392 1.00 73.31 C ATOM 0 H VAL A 96 -2.645 -14.524 1.590 1.00 73.51 H new ATOM 0 HA VAL A 96 -3.220 -14.033 -0.496 1.00 5.01 H new ATOM 0 HB VAL A 96 -0.842 -12.155 -0.679 1.00 20.32 H new ATOM 0 HG11 VAL A 96 -2.263 -10.863 -2.201 1.00 3.34 H new ATOM 0 HG12 VAL A 96 -1.965 -12.512 -2.800 1.00 3.34 H new ATOM 0 HG13 VAL A 96 -3.532 -12.103 -2.063 1.00 3.34 H new ATOM 0 HG21 VAL A 96 -2.396 -10.432 0.172 1.00 73.31 H new ATOM 0 HG22 VAL A 96 -3.632 -11.690 0.414 1.00 73.31 H new ATOM 0 HG23 VAL A 96 -2.126 -11.727 1.362 1.00 73.31 H new ATOM 706 N VAL A 97 -1.717 -14.798 -2.524 1.00 61.41 N ATOM 707 CA VAL A 97 -0.963 -15.605 -3.417 1.00 53.41 C ATOM 708 C VAL A 97 0.033 -14.761 -4.220 1.00 32.12 C ATOM 709 O VAL A 97 -0.040 -13.529 -4.206 1.00 52.20 O ATOM 710 CB VAL A 97 -1.817 -16.531 -4.324 1.00 23.33 C ATOM 711 CG1 VAL A 97 -2.600 -17.528 -3.482 1.00 43.32 C ATOM 712 CG2 VAL A 97 -2.758 -15.729 -5.207 1.00 12.04 C ATOM 0 H VAL A 97 -2.511 -14.306 -2.934 1.00 61.41 H new ATOM 0 HA VAL A 97 -0.397 -16.291 -2.787 1.00 53.41 H new ATOM 0 HB VAL A 97 -1.135 -17.079 -4.974 1.00 23.33 H new ATOM 0 HG11 VAL A 97 -3.193 -18.169 -4.135 1.00 43.32 H new ATOM 0 HG12 VAL A 97 -1.907 -18.140 -2.905 1.00 43.32 H new ATOM 0 HG13 VAL A 97 -3.262 -16.990 -2.803 1.00 43.32 H new ATOM 0 HG21 VAL A 97 -3.341 -16.408 -5.829 1.00 12.04 H new ATOM 0 HG22 VAL A 97 -3.431 -15.141 -4.582 1.00 12.04 H new ATOM 0 HG23 VAL A 97 -2.178 -15.061 -5.844 1.00 12.04 H new ATOM 722 N LEU A 98 0.933 -15.437 -4.917 1.00 0.13 N ATOM 723 CA LEU A 98 2.043 -14.810 -5.653 1.00 42.34 C ATOM 724 C LEU A 98 1.570 -13.756 -6.655 1.00 22.33 C ATOM 725 O LEU A 98 0.487 -13.894 -7.260 1.00 41.34 O ATOM 726 CB LEU A 98 2.924 -15.864 -6.370 1.00 52.13 C ATOM 727 CG LEU A 98 3.687 -16.901 -5.499 1.00 13.44 C ATOM 728 CD1 LEU A 98 4.519 -16.228 -4.417 1.00 65.52 C ATOM 729 CD2 LEU A 98 2.763 -17.967 -4.908 1.00 30.03 C ATOM 0 H LEU A 98 0.921 -16.454 -4.994 1.00 0.13 H new ATOM 0 HA LEU A 98 2.646 -14.302 -4.900 1.00 42.34 H new ATOM 0 HB2 LEU A 98 2.287 -16.415 -7.062 1.00 52.13 H new ATOM 0 HB3 LEU A 98 3.659 -15.329 -6.971 1.00 52.13 H new ATOM 0 HG LEU A 98 4.373 -17.417 -6.171 1.00 13.44 H new ATOM 0 HD11 LEU A 98 5.036 -16.987 -3.831 1.00 65.52 H new ATOM 0 HD12 LEU A 98 5.251 -15.566 -4.880 1.00 65.52 H new ATOM 0 HD13 LEU A 98 3.867 -15.648 -3.764 1.00 65.52 H new ATOM 0 HD21 LEU A 98 3.349 -18.665 -4.309 1.00 30.03 H new ATOM 0 HD22 LEU A 98 2.013 -17.489 -4.278 1.00 30.03 H new ATOM 0 HD23 LEU A 98 2.269 -18.508 -5.715 1.00 30.03 H new ATOM 741 N ASN A 99 2.370 -12.705 -6.804 1.00 64.22 N ATOM 742 CA ASN A 99 2.095 -11.582 -7.702 1.00 54.23 C ATOM 743 C ASN A 99 3.298 -10.635 -7.698 1.00 42.22 C ATOM 744 O ASN A 99 4.156 -10.745 -6.831 1.00 74.40 O ATOM 745 CB ASN A 99 0.813 -10.809 -7.276 1.00 4.23 C ATOM 746 CG ASN A 99 0.912 -10.131 -5.906 1.00 33.22 C ATOM 747 OD1 ASN A 99 1.325 -8.984 -5.800 1.00 1.10 O ATOM 748 ND2 ASN A 99 0.517 -10.819 -4.864 1.00 51.34 N ATOM 0 H ASN A 99 3.248 -12.605 -6.294 1.00 64.22 H new ATOM 0 HA ASN A 99 1.926 -11.974 -8.705 1.00 54.23 H new ATOM 0 HB2 ASN A 99 0.593 -10.052 -8.028 1.00 4.23 H new ATOM 0 HB3 ASN A 99 -0.028 -11.502 -7.266 1.00 4.23 H new ATOM 0 HD21 ASN A 99 0.549 -10.400 -3.934 1.00 51.34 H new ATOM 0 HD22 ASN A 99 0.177 -11.773 -4.982 1.00 51.34 H new ATOM 755 N SER A 100 3.377 -9.747 -8.669 1.00 30.31 N ATOM 756 CA SER A 100 4.445 -8.762 -8.734 1.00 10.13 C ATOM 757 C SER A 100 3.867 -7.371 -8.457 1.00 3.22 C ATOM 758 O SER A 100 3.048 -6.868 -9.223 1.00 53.32 O ATOM 759 CB SER A 100 5.111 -8.807 -10.113 1.00 23.54 C ATOM 760 OG SER A 100 5.607 -10.118 -10.392 1.00 42.53 O ATOM 0 H SER A 100 2.706 -9.686 -9.435 1.00 30.31 H new ATOM 0 HA SER A 100 5.201 -8.987 -7.981 1.00 10.13 H new ATOM 0 HB2 SER A 100 4.393 -8.514 -10.879 1.00 23.54 H new ATOM 0 HB3 SER A 100 5.929 -8.088 -10.151 1.00 23.54 H new ATOM 0 HG SER A 100 6.027 -10.127 -11.277 1.00 42.53 H new ATOM 766 N SER A 101 4.269 -6.775 -7.356 1.00 10.11 N ATOM 767 CA SER A 101 3.757 -5.520 -6.909 1.00 71.50 C ATOM 768 C SER A 101 4.850 -4.762 -6.151 1.00 34.44 C ATOM 769 O SER A 101 5.949 -5.307 -5.927 1.00 54.53 O ATOM 770 CB SER A 101 2.579 -5.788 -5.987 1.00 4.42 C ATOM 771 OG SER A 101 1.544 -6.492 -6.656 1.00 64.42 O ATOM 0 H SER A 101 4.979 -7.168 -6.739 1.00 10.11 H new ATOM 0 HA SER A 101 3.437 -4.916 -7.758 1.00 71.50 H new ATOM 0 HB2 SER A 101 2.914 -6.365 -5.125 1.00 4.42 H new ATOM 0 HB3 SER A 101 2.191 -4.843 -5.607 1.00 4.42 H new ATOM 0 HG SER A 101 1.665 -7.455 -6.523 1.00 64.42 H new ATOM 777 N TYR A 102 4.545 -3.536 -5.762 1.00 21.43 N ATOM 778 CA TYR A 102 5.454 -2.679 -5.020 1.00 3.12 C ATOM 779 C TYR A 102 4.898 -2.384 -3.640 1.00 61.54 C ATOM 780 O TYR A 102 3.685 -2.169 -3.482 1.00 64.03 O ATOM 781 CB TYR A 102 5.670 -1.369 -5.763 1.00 0.01 C ATOM 782 CG TYR A 102 6.885 -1.298 -6.658 1.00 20.21 C ATOM 783 CD1 TYR A 102 7.233 -2.339 -7.502 1.00 50.13 C ATOM 784 CD2 TYR A 102 7.680 -0.161 -6.659 1.00 4.21 C ATOM 785 CE1 TYR A 102 8.343 -2.255 -8.322 1.00 70.10 C ATOM 786 CE2 TYR A 102 8.793 -0.071 -7.476 1.00 12.30 C ATOM 787 CZ TYR A 102 9.119 -1.122 -8.303 1.00 71.32 C ATOM 788 OH TYR A 102 10.228 -1.037 -9.118 1.00 63.23 O ATOM 0 H TYR A 102 3.643 -3.101 -5.956 1.00 21.43 H new ATOM 0 HA TYR A 102 6.406 -3.200 -4.920 1.00 3.12 H new ATOM 0 HB2 TYR A 102 4.786 -1.170 -6.370 1.00 0.01 H new ATOM 0 HB3 TYR A 102 5.739 -0.567 -5.028 1.00 0.01 H new ATOM 0 HD1 TYR A 102 6.627 -3.232 -7.520 1.00 50.13 H new ATOM 0 HD2 TYR A 102 7.426 0.666 -6.012 1.00 4.21 H new ATOM 0 HE1 TYR A 102 8.599 -3.077 -8.975 1.00 70.10 H new ATOM 0 HE2 TYR A 102 9.403 0.820 -7.465 1.00 12.30 H new ATOM 0 HH TYR A 102 10.666 -0.171 -8.985 1.00 63.23 H new ATOM 798 N VAL A 103 5.765 -2.391 -2.654 1.00 13.53 N ATOM 799 CA VAL A 103 5.388 -2.120 -1.284 1.00 41.24 C ATOM 800 C VAL A 103 6.315 -1.055 -0.676 1.00 64.13 C ATOM 801 O VAL A 103 7.506 -1.039 -0.930 1.00 52.42 O ATOM 802 CB VAL A 103 5.439 -3.449 -0.437 1.00 34.53 C ATOM 803 CG1 VAL A 103 6.791 -4.016 -0.395 1.00 42.40 C ATOM 804 CG2 VAL A 103 4.965 -3.285 0.964 1.00 53.13 C ATOM 0 H VAL A 103 6.758 -2.586 -2.780 1.00 13.53 H new ATOM 0 HA VAL A 103 4.368 -1.736 -1.268 1.00 41.24 H new ATOM 0 HB VAL A 103 4.758 -4.125 -0.954 1.00 34.53 H new ATOM 0 HG11 VAL A 103 6.784 -4.931 0.198 1.00 42.40 H new ATOM 0 HG12 VAL A 103 7.122 -4.243 -1.408 1.00 42.40 H new ATOM 0 HG13 VAL A 103 7.474 -3.296 0.057 1.00 42.40 H new ATOM 0 HG21 VAL A 103 5.029 -4.241 1.484 1.00 53.13 H new ATOM 0 HG22 VAL A 103 5.588 -2.551 1.475 1.00 53.13 H new ATOM 0 HG23 VAL A 103 3.930 -2.943 0.960 1.00 53.13 H new ATOM 814 N CYS A 104 5.758 -0.146 0.081 1.00 12.41 N ATOM 815 CA CYS A 104 6.562 0.803 0.825 1.00 31.01 C ATOM 816 C CYS A 104 6.983 0.073 2.024 1.00 53.20 C ATOM 817 O CYS A 104 6.179 -0.121 2.869 1.00 41.52 O ATOM 818 CB CYS A 104 5.702 2.033 1.228 1.00 44.33 C ATOM 819 SG CYS A 104 6.424 3.268 2.459 1.00 14.13 S ATOM 0 H CYS A 104 4.751 -0.038 0.202 1.00 12.41 H new ATOM 0 HA CYS A 104 7.406 1.175 0.245 1.00 31.01 H new ATOM 0 HB2 CYS A 104 5.455 2.578 0.317 1.00 44.33 H new ATOM 0 HB3 CYS A 104 4.764 1.661 1.642 1.00 44.33 H new ATOM 0 HG CYS A 104 5.468 3.997 2.954 1.00 14.13 H new ATOM 824 N VAL A 105 8.219 -0.385 2.069 1.00 4.31 N ATOM 825 CA VAL A 105 8.741 -1.175 3.190 1.00 1.02 C ATOM 826 C VAL A 105 8.544 -0.452 4.488 1.00 14.12 C ATOM 827 O VAL A 105 8.235 -1.060 5.503 1.00 61.34 O ATOM 828 CB VAL A 105 10.241 -1.437 3.056 1.00 31.14 C ATOM 829 CG1 VAL A 105 10.551 -2.831 3.361 1.00 62.04 C ATOM 830 CG2 VAL A 105 10.752 -1.082 1.716 1.00 21.42 C ATOM 0 H VAL A 105 8.901 -0.223 1.328 1.00 4.31 H new ATOM 0 HA VAL A 105 8.193 -2.117 3.174 1.00 1.02 H new ATOM 0 HB VAL A 105 10.742 -0.794 3.779 1.00 31.14 H new ATOM 0 HG11 VAL A 105 11.624 -2.996 3.260 1.00 62.04 H new ATOM 0 HG12 VAL A 105 10.244 -3.057 4.382 1.00 62.04 H new ATOM 0 HG13 VAL A 105 10.017 -3.482 2.669 1.00 62.04 H new ATOM 0 HG21 VAL A 105 11.822 -1.285 1.669 1.00 21.42 H new ATOM 0 HG22 VAL A 105 10.236 -1.675 0.961 1.00 21.42 H new ATOM 0 HG23 VAL A 105 10.576 -0.023 1.528 1.00 21.42 H new ATOM 840 N GLU A 106 8.658 0.861 4.402 1.00 10.33 N ATOM 841 CA GLU A 106 8.552 1.760 5.533 1.00 74.21 C ATOM 842 C GLU A 106 7.209 1.591 6.216 1.00 42.04 C ATOM 843 O GLU A 106 7.099 1.639 7.430 1.00 13.35 O ATOM 844 CB GLU A 106 8.683 3.200 5.050 1.00 2.44 C ATOM 845 CG GLU A 106 9.848 3.444 4.099 1.00 43.44 C ATOM 846 CD GLU A 106 11.211 3.236 4.720 1.00 73.50 C ATOM 847 OE1 GLU A 106 11.359 2.386 5.633 1.00 72.31 O ATOM 848 OE2 GLU A 106 12.157 3.885 4.268 1.00 71.42 O ATOM 0 H GLU A 106 8.831 1.342 3.520 1.00 10.33 H new ATOM 0 HA GLU A 106 9.347 1.527 6.241 1.00 74.21 H new ATOM 0 HB2 GLU A 106 7.757 3.488 4.552 1.00 2.44 H new ATOM 0 HB3 GLU A 106 8.795 3.852 5.916 1.00 2.44 H new ATOM 0 HG2 GLU A 106 9.747 2.779 3.241 1.00 43.44 H new ATOM 0 HG3 GLU A 106 9.786 4.464 3.721 1.00 43.44 H new ATOM 855 N CYS A 107 6.190 1.401 5.412 1.00 42.22 N ATOM 856 CA CYS A 107 4.825 1.219 5.958 1.00 62.41 C ATOM 857 C CYS A 107 4.424 -0.255 5.884 1.00 40.34 C ATOM 858 O CYS A 107 3.533 -0.736 6.584 1.00 25.01 O ATOM 859 CB CYS A 107 3.872 2.015 5.099 1.00 53.31 C ATOM 860 SG CYS A 107 4.467 3.700 4.719 1.00 51.30 S ATOM 0 H CYS A 107 6.255 1.365 4.395 1.00 42.22 H new ATOM 0 HA CYS A 107 4.795 1.549 6.996 1.00 62.41 H new ATOM 0 HB2 CYS A 107 3.703 1.479 4.165 1.00 53.31 H new ATOM 0 HB3 CYS A 107 2.910 2.084 5.606 1.00 53.31 H new ATOM 0 HG CYS A 107 5.701 3.643 4.313 1.00 51.30 H new ATOM 865 N ASN A 108 5.141 -0.927 5.041 1.00 13.51 N ATOM 866 CA ASN A 108 4.922 -2.278 4.600 1.00 25.42 C ATOM 867 C ASN A 108 3.554 -2.421 4.003 1.00 42.15 C ATOM 868 O ASN A 108 2.796 -3.349 4.303 1.00 33.11 O ATOM 869 CB ASN A 108 5.194 -3.260 5.673 1.00 21.04 C ATOM 870 CG ASN A 108 5.648 -4.516 5.121 1.00 13.31 C ATOM 871 OD1 ASN A 108 4.905 -5.490 4.990 1.00 22.52 O ATOM 872 ND2 ASN A 108 6.815 -4.482 4.723 1.00 64.03 N ATOM 0 H ASN A 108 5.965 -0.515 4.604 1.00 13.51 H new ATOM 0 HA ASN A 108 5.640 -2.503 3.811 1.00 25.42 H new ATOM 0 HB2 ASN A 108 5.949 -2.863 6.352 1.00 21.04 H new ATOM 0 HB3 ASN A 108 4.290 -3.422 6.261 1.00 21.04 H new ATOM 0 HD21 ASN A 108 7.218 -5.293 4.254 1.00 64.03 H new ATOM 0 HD22 ASN A 108 7.377 -3.643 4.863 1.00 64.03 H new ATOM 879 N PHE A 109 3.283 -1.535 3.074 1.00 31.13 N ATOM 880 CA PHE A 109 1.983 -1.489 2.461 1.00 0.42 C ATOM 881 C PHE A 109 2.105 -1.769 0.973 1.00 2.54 C ATOM 882 O PHE A 109 2.899 -1.115 0.269 1.00 64.00 O ATOM 883 CB PHE A 109 1.228 -0.153 2.748 1.00 42.32 C ATOM 884 CG PHE A 109 1.212 0.892 1.635 1.00 53.20 C ATOM 885 CD1 PHE A 109 0.206 0.880 0.688 1.00 72.41 C ATOM 886 CD2 PHE A 109 2.170 1.880 1.556 1.00 41.31 C ATOM 887 CE1 PHE A 109 0.158 1.829 -0.320 1.00 22.01 C ATOM 888 CE2 PHE A 109 2.127 2.830 0.539 1.00 71.43 C ATOM 889 CZ PHE A 109 1.121 2.803 -0.395 1.00 74.44 C ATOM 0 H PHE A 109 3.945 -0.840 2.729 1.00 31.13 H new ATOM 0 HA PHE A 109 1.371 -2.270 2.912 1.00 0.42 H new ATOM 0 HB2 PHE A 109 0.195 -0.396 2.999 1.00 42.32 H new ATOM 0 HB3 PHE A 109 1.672 0.303 3.633 1.00 42.32 H new ATOM 0 HD1 PHE A 109 -0.557 0.117 0.734 1.00 72.41 H new ATOM 0 HD2 PHE A 109 2.961 1.918 2.290 1.00 41.31 H new ATOM 0 HE1 PHE A 109 -0.639 1.802 -1.048 1.00 22.01 H new ATOM 0 HE2 PHE A 109 2.890 3.593 0.484 1.00 71.43 H new ATOM 0 HZ PHE A 109 1.088 3.542 -1.182 1.00 74.44 H new ATOM 899 N LEU A 110 1.369 -2.741 0.520 1.00 73.22 N ATOM 900 CA LEU A 110 1.388 -3.161 -0.861 1.00 10.42 C ATOM 901 C LEU A 110 0.294 -2.480 -1.610 1.00 61.14 C ATOM 902 O LEU A 110 -0.836 -2.524 -1.195 1.00 3.44 O ATOM 903 CB LEU A 110 1.199 -4.669 -0.966 1.00 22.32 C ATOM 904 CG LEU A 110 2.459 -5.492 -1.102 1.00 2.05 C ATOM 905 CD1 LEU A 110 2.113 -6.947 -0.971 1.00 54.44 C ATOM 906 CD2 LEU A 110 3.075 -5.246 -2.468 1.00 32.13 C ATOM 0 H LEU A 110 0.727 -3.276 1.104 1.00 73.22 H new ATOM 0 HA LEU A 110 2.354 -2.893 -1.288 1.00 10.42 H new ATOM 0 HB2 LEU A 110 0.662 -5.009 -0.081 1.00 22.32 H new ATOM 0 HB3 LEU A 110 0.561 -4.875 -1.825 1.00 22.32 H new ATOM 0 HG LEU A 110 3.168 -5.209 -0.324 1.00 2.05 H new ATOM 0 HD11 LEU A 110 3.018 -7.546 -1.068 1.00 54.44 H new ATOM 0 HD12 LEU A 110 1.662 -7.127 0.005 1.00 54.44 H new ATOM 0 HD13 LEU A 110 1.408 -7.225 -1.754 1.00 54.44 H new ATOM 0 HD21 LEU A 110 3.984 -5.838 -2.569 1.00 32.13 H new ATOM 0 HD22 LEU A 110 2.366 -5.534 -3.244 1.00 32.13 H new ATOM 0 HD23 LEU A 110 3.317 -4.188 -2.573 1.00 32.13 H new ATOM 918 N THR A 111 0.615 -1.906 -2.710 1.00 5.53 N ATOM 919 CA THR A 111 -0.348 -1.172 -3.479 1.00 72.24 C ATOM 920 C THR A 111 -0.459 -1.727 -4.895 1.00 60.52 C ATOM 921 O THR A 111 0.426 -2.464 -5.361 1.00 44.13 O ATOM 922 CB THR A 111 -0.038 0.350 -3.446 1.00 1.00 C ATOM 923 OG1 THR A 111 -0.861 1.106 -4.350 1.00 23.42 O ATOM 924 CG2 THR A 111 1.431 0.630 -3.678 1.00 44.53 C ATOM 0 H THR A 111 1.552 -1.926 -3.113 1.00 5.53 H new ATOM 0 HA THR A 111 -1.329 -1.300 -3.022 1.00 72.24 H new ATOM 0 HB THR A 111 -0.287 0.687 -2.440 1.00 1.00 H new ATOM 0 HG1 THR A 111 -1.794 1.066 -4.054 1.00 23.42 H new ATOM 0 HG21 THR A 111 1.606 1.705 -3.647 1.00 44.53 H new ATOM 0 HG22 THR A 111 2.021 0.144 -2.901 1.00 44.53 H new ATOM 0 HG23 THR A 111 1.726 0.242 -4.653 1.00 44.53 H new ATOM 932 N LYS A 112 -1.554 -1.388 -5.562 1.00 14.53 N ATOM 933 CA LYS A 112 -1.875 -1.889 -6.900 1.00 72.25 C ATOM 934 C LYS A 112 -1.124 -1.114 -7.973 1.00 65.11 C ATOM 935 O LYS A 112 -1.225 -1.426 -9.169 1.00 31.34 O ATOM 936 CB LYS A 112 -3.365 -1.699 -7.175 1.00 54.14 C ATOM 937 CG LYS A 112 -4.291 -2.264 -6.130 1.00 52.05 C ATOM 938 CD LYS A 112 -5.733 -1.931 -6.464 1.00 22.51 C ATOM 939 CE LYS A 112 -6.668 -2.354 -5.353 1.00 72.51 C ATOM 940 NZ LYS A 112 -6.329 -1.692 -4.080 1.00 65.25 N ATOM 0 H LYS A 112 -2.256 -0.749 -5.188 1.00 14.53 H new ATOM 0 HA LYS A 112 -1.591 -2.941 -6.931 1.00 72.25 H new ATOM 0 HB2 LYS A 112 -3.566 -0.632 -7.276 1.00 54.14 H new ATOM 0 HB3 LYS A 112 -3.602 -2.160 -8.134 1.00 54.14 H new ATOM 0 HG2 LYS A 112 -4.165 -3.345 -6.070 1.00 52.05 H new ATOM 0 HG3 LYS A 112 -4.035 -1.859 -5.151 1.00 52.05 H new ATOM 0 HD2 LYS A 112 -5.830 -0.859 -6.635 1.00 22.51 H new ATOM 0 HD3 LYS A 112 -6.018 -2.429 -7.391 1.00 22.51 H new ATOM 0 HE2 LYS A 112 -7.695 -2.112 -5.628 1.00 72.51 H new ATOM 0 HE3 LYS A 112 -6.618 -3.435 -5.226 1.00 72.51 H new ATOM 0 HZ1 LYS A 112 -7.106 -1.826 -3.402 1.00 65.25 H new ATOM 0 HZ2 LYS A 112 -5.457 -2.107 -3.694 1.00 65.25 H new ATOM 0 HZ3 LYS A 112 -6.185 -0.675 -4.245 1.00 65.25 H new ATOM 954 N ARG A 113 -0.405 -0.109 -7.559 1.00 11.25 N ATOM 955 CA ARG A 113 0.240 0.790 -8.475 1.00 73.12 C ATOM 956 C ARG A 113 1.633 1.148 -7.999 1.00 14.14 C ATOM 957 O ARG A 113 1.887 1.189 -6.812 1.00 12.43 O ATOM 958 CB ARG A 113 -0.615 2.038 -8.603 1.00 65.22 C ATOM 959 CG ARG A 113 -0.943 2.692 -7.264 1.00 53.53 C ATOM 960 CD ARG A 113 -1.832 3.890 -7.446 1.00 0.20 C ATOM 961 NE ARG A 113 -3.077 3.530 -8.117 1.00 65.24 N ATOM 962 CZ ARG A 113 -3.496 4.058 -9.273 1.00 60.04 C ATOM 963 NH1 ARG A 113 -2.766 5.013 -9.887 1.00 52.42 N ATOM 964 NH2 ARG A 113 -4.635 3.625 -9.821 1.00 20.45 N ATOM 0 H ARG A 113 -0.249 0.111 -6.575 1.00 11.25 H new ATOM 0 HA ARG A 113 0.344 0.306 -9.446 1.00 73.12 H new ATOM 0 HB2 ARG A 113 -0.097 2.760 -9.234 1.00 65.22 H new ATOM 0 HB3 ARG A 113 -1.545 1.781 -9.110 1.00 65.22 H new ATOM 0 HG2 ARG A 113 -1.433 1.968 -6.613 1.00 53.53 H new ATOM 0 HG3 ARG A 113 -0.020 2.993 -6.768 1.00 53.53 H new ATOM 0 HD2 ARG A 113 -2.055 4.331 -6.474 1.00 0.20 H new ATOM 0 HD3 ARG A 113 -1.309 4.649 -8.028 1.00 0.20 H new ATOM 0 HE ARG A 113 -3.669 2.827 -7.674 1.00 65.24 H new ATOM 0 HH11 ARG A 113 -1.892 5.334 -9.470 1.00 52.42 H new ATOM 0 HH12 ARG A 113 -3.088 5.414 -10.768 1.00 52.42 H new ATOM 0 HH21 ARG A 113 -5.179 2.897 -9.358 1.00 20.45 H new ATOM 0 HH22 ARG A 113 -4.961 4.023 -10.702 1.00 20.45 H new ATOM 978 N TYR A 114 2.518 1.438 -8.929 1.00 63.34 N ATOM 979 CA TYR A 114 3.899 1.788 -8.603 1.00 42.24 C ATOM 980 C TYR A 114 4.005 3.276 -8.266 1.00 4.24 C ATOM 981 O TYR A 114 4.970 3.742 -7.631 1.00 71.41 O ATOM 982 CB TYR A 114 4.851 1.433 -9.763 1.00 35.13 C ATOM 983 CG TYR A 114 5.021 -0.065 -10.053 1.00 14.14 C ATOM 984 CD1 TYR A 114 4.193 -1.030 -9.476 1.00 34.13 C ATOM 985 CD2 TYR A 114 6.016 -0.500 -10.916 1.00 14.42 C ATOM 986 CE1 TYR A 114 4.355 -2.371 -9.752 1.00 24.41 C ATOM 987 CE2 TYR A 114 6.186 -1.840 -11.196 1.00 32.31 C ATOM 988 CZ TYR A 114 5.352 -2.773 -10.611 1.00 5.11 C ATOM 989 OH TYR A 114 5.517 -4.112 -10.892 1.00 24.41 O ATOM 0 H TYR A 114 2.310 1.440 -9.928 1.00 63.34 H new ATOM 0 HA TYR A 114 4.197 1.207 -7.731 1.00 42.24 H new ATOM 0 HB2 TYR A 114 4.488 1.920 -10.668 1.00 35.13 H new ATOM 0 HB3 TYR A 114 5.832 1.855 -9.545 1.00 35.13 H new ATOM 0 HD1 TYR A 114 3.410 -0.720 -8.800 1.00 34.13 H new ATOM 0 HD2 TYR A 114 6.670 0.225 -11.378 1.00 14.42 H new ATOM 0 HE1 TYR A 114 3.703 -3.102 -9.297 1.00 24.41 H new ATOM 0 HE2 TYR A 114 6.968 -2.158 -11.870 1.00 32.31 H new ATOM 0 HH TYR A 114 6.264 -4.226 -11.516 1.00 24.41 H new ATOM 999 N ASP A 115 3.003 4.017 -8.664 1.00 41.32 N ATOM 1000 CA ASP A 115 2.955 5.447 -8.425 1.00 4.32 C ATOM 1001 C ASP A 115 2.657 5.808 -6.992 1.00 24.31 C ATOM 1002 O ASP A 115 3.176 6.782 -6.504 1.00 5.41 O ATOM 1003 CB ASP A 115 2.025 6.175 -9.388 1.00 23.00 C ATOM 1004 CG ASP A 115 0.634 5.601 -9.490 1.00 30.34 C ATOM 1005 OD1 ASP A 115 0.461 4.561 -10.137 1.00 51.52 O ATOM 1006 OD2 ASP A 115 -0.315 6.198 -8.963 1.00 72.23 O ATOM 0 H ASP A 115 2.193 3.651 -9.164 1.00 41.32 H new ATOM 0 HA ASP A 115 3.967 5.798 -8.626 1.00 4.32 H new ATOM 0 HB2 ASP A 115 1.949 7.217 -9.078 1.00 23.00 H new ATOM 0 HB3 ASP A 115 2.477 6.169 -10.380 1.00 23.00 H new ATOM 1011 N ALA A 116 1.899 4.989 -6.294 1.00 70.32 N ATOM 1012 CA ALA A 116 1.567 5.253 -4.877 1.00 30.22 C ATOM 1013 C ALA A 116 2.828 5.275 -4.009 1.00 31.44 C ATOM 1014 O ALA A 116 2.859 5.894 -2.956 1.00 62.31 O ATOM 1015 CB ALA A 116 0.573 4.229 -4.361 1.00 50.44 C ATOM 0 H ALA A 116 1.493 4.131 -6.668 1.00 70.32 H new ATOM 0 HA ALA A 116 1.105 6.239 -4.817 1.00 30.22 H new ATOM 0 HB1 ALA A 116 0.342 4.440 -3.317 1.00 50.44 H new ATOM 0 HB2 ALA A 116 -0.341 4.279 -4.953 1.00 50.44 H new ATOM 0 HB3 ALA A 116 1.004 3.231 -4.442 1.00 50.44 H new ATOM 1021 N LEU A 117 3.859 4.600 -4.479 1.00 45.30 N ATOM 1022 CA LEU A 117 5.157 4.566 -3.794 1.00 43.24 C ATOM 1023 C LEU A 117 5.970 5.786 -4.154 1.00 23.23 C ATOM 1024 O LEU A 117 6.777 6.262 -3.379 1.00 22.30 O ATOM 1025 CB LEU A 117 5.973 3.350 -4.191 1.00 50.23 C ATOM 1026 CG LEU A 117 5.364 1.977 -3.968 1.00 31.30 C ATOM 1027 CD1 LEU A 117 4.714 1.861 -2.604 1.00 74.44 C ATOM 1028 CD2 LEU A 117 4.411 1.634 -5.065 1.00 30.22 C ATOM 0 H LEU A 117 3.831 4.058 -5.343 1.00 45.30 H new ATOM 0 HA LEU A 117 4.945 4.533 -2.725 1.00 43.24 H new ATOM 0 HB2 LEU A 117 6.213 3.441 -5.250 1.00 50.23 H new ATOM 0 HB3 LEU A 117 6.916 3.389 -3.646 1.00 50.23 H new ATOM 0 HG LEU A 117 6.175 1.249 -3.991 1.00 31.30 H new ATOM 0 HD11 LEU A 117 4.291 0.863 -2.486 1.00 74.44 H new ATOM 0 HD12 LEU A 117 5.461 2.032 -1.829 1.00 74.44 H new ATOM 0 HD13 LEU A 117 3.921 2.604 -2.514 1.00 74.44 H new ATOM 0 HD21 LEU A 117 3.988 0.646 -4.883 1.00 30.22 H new ATOM 0 HD22 LEU A 117 3.610 2.372 -5.095 1.00 30.22 H new ATOM 0 HD23 LEU A 117 4.939 1.633 -6.019 1.00 30.22 H new ATOM 1040 N SER A 118 5.737 6.268 -5.325 1.00 55.44 N ATOM 1041 CA SER A 118 6.451 7.393 -5.888 1.00 20.13 C ATOM 1042 C SER A 118 6.002 8.683 -5.245 1.00 23.03 C ATOM 1043 O SER A 118 6.803 9.524 -4.899 1.00 60.15 O ATOM 1044 CB SER A 118 6.131 7.432 -7.356 1.00 3.34 C ATOM 1045 OG SER A 118 6.735 6.357 -8.077 1.00 2.24 O ATOM 0 H SER A 118 5.024 5.888 -5.948 1.00 55.44 H new ATOM 0 HA SER A 118 7.522 7.283 -5.716 1.00 20.13 H new ATOM 0 HB2 SER A 118 5.050 7.393 -7.490 1.00 3.34 H new ATOM 0 HB3 SER A 118 6.470 8.380 -7.773 1.00 3.34 H new ATOM 0 HG SER A 118 6.216 5.538 -7.938 1.00 2.24 H new ATOM 1051 N GLU A 119 4.717 8.834 -5.122 1.00 73.44 N ATOM 1052 CA GLU A 119 4.143 9.993 -4.484 1.00 63.22 C ATOM 1053 C GLU A 119 4.255 9.856 -2.982 1.00 60.01 C ATOM 1054 O GLU A 119 4.072 10.805 -2.256 1.00 71.05 O ATOM 1055 CB GLU A 119 2.690 10.187 -4.844 1.00 42.14 C ATOM 1056 CG GLU A 119 2.273 9.581 -6.163 1.00 64.43 C ATOM 1057 CD GLU A 119 0.884 9.996 -6.580 1.00 61.22 C ATOM 1058 OE1 GLU A 119 0.015 10.169 -5.707 1.00 70.13 O ATOM 1059 OE2 GLU A 119 0.605 10.110 -7.800 1.00 14.00 O ATOM 0 H GLU A 119 4.031 8.159 -5.460 1.00 73.44 H new ATOM 0 HA GLU A 119 4.699 10.861 -4.838 1.00 63.22 H new ATOM 0 HB2 GLU A 119 2.075 9.757 -4.053 1.00 42.14 H new ATOM 0 HB3 GLU A 119 2.477 11.256 -4.869 1.00 42.14 H new ATOM 0 HG2 GLU A 119 2.983 9.877 -6.935 1.00 64.43 H new ATOM 0 HG3 GLU A 119 2.317 8.494 -6.089 1.00 64.43 H new ATOM 1066 N HIS A 120 4.447 8.643 -2.531 1.00 30.11 N ATOM 1067 CA HIS A 120 4.510 8.327 -1.113 1.00 70.41 C ATOM 1068 C HIS A 120 5.438 9.291 -0.338 1.00 12.34 C ATOM 1069 O HIS A 120 5.008 9.946 0.522 1.00 34.04 O ATOM 1070 CB HIS A 120 4.966 6.912 -0.933 1.00 3.32 C ATOM 1071 CG HIS A 120 4.627 6.343 0.372 1.00 31.34 C ATOM 1072 ND1 HIS A 120 3.374 5.901 0.713 1.00 54.35 N ATOM 1073 CD2 HIS A 120 5.390 6.153 1.424 1.00 62.22 C ATOM 1074 CE1 HIS A 120 3.412 5.462 1.961 1.00 43.10 C ATOM 1075 NE2 HIS A 120 4.640 5.586 2.457 1.00 61.32 N ATOM 0 H HIS A 120 4.566 7.832 -3.139 1.00 30.11 H new ATOM 0 HA HIS A 120 3.508 8.448 -0.701 1.00 70.41 H new ATOM 0 HB2 HIS A 120 4.522 6.295 -1.714 1.00 3.32 H new ATOM 0 HB3 HIS A 120 6.047 6.869 -1.068 1.00 3.32 H new ATOM 0 HD1 HIS A 120 2.553 5.909 0.108 1.00 54.35 H new ATOM 0 HD2 HIS A 120 6.440 6.398 1.482 1.00 62.22 H new ATOM 0 HE1 HIS A 120 2.567 5.060 2.500 1.00 43.10 H new ATOM 1083 N ASN A 121 6.670 9.383 -0.703 1.00 1.42 N ATOM 1084 CA ASN A 121 7.661 10.313 -0.076 1.00 34.13 C ATOM 1085 C ASN A 121 7.337 11.775 -0.365 1.00 70.25 C ATOM 1086 O ASN A 121 7.894 12.690 0.222 1.00 61.43 O ATOM 1087 CB ASN A 121 9.088 9.955 -0.474 1.00 33.43 C ATOM 1088 CG ASN A 121 9.324 9.905 -1.961 1.00 51.25 C ATOM 1089 OD1 ASN A 121 8.436 9.680 -2.742 1.00 25.54 O ATOM 1090 ND2 ASN A 121 10.530 10.022 -2.341 1.00 75.54 N ATOM 0 H ASN A 121 7.065 8.821 -1.457 1.00 1.42 H new ATOM 0 HA ASN A 121 7.584 10.186 1.004 1.00 34.13 H new ATOM 0 HB2 ASN A 121 9.769 10.684 -0.034 1.00 33.43 H new ATOM 0 HB3 ASN A 121 9.340 8.985 -0.045 1.00 33.43 H new ATOM 0 HD21 ASN A 121 10.765 9.925 -3.329 1.00 75.54 H new ATOM 0 HD22 ASN A 121 11.264 10.213 -1.658 1.00 75.54 H new ATOM 1097 N LEU A 122 6.520 11.979 -1.324 1.00 3.25 N ATOM 1098 CA LEU A 122 6.069 13.281 -1.672 1.00 10.44 C ATOM 1099 C LEU A 122 5.015 13.759 -0.642 1.00 65.40 C ATOM 1100 O LEU A 122 5.161 14.818 -0.032 1.00 40.32 O ATOM 1101 CB LEU A 122 5.525 13.233 -3.125 1.00 70.12 C ATOM 1102 CG LEU A 122 4.493 14.263 -3.560 1.00 74.42 C ATOM 1103 CD1 LEU A 122 5.032 15.684 -3.453 1.00 45.15 C ATOM 1104 CD2 LEU A 122 4.051 13.977 -4.981 1.00 62.12 C ATOM 0 H LEU A 122 6.134 11.235 -1.905 1.00 3.25 H new ATOM 0 HA LEU A 122 6.881 14.008 -1.642 1.00 10.44 H new ATOM 0 HB2 LEU A 122 6.378 13.317 -3.799 1.00 70.12 H new ATOM 0 HB3 LEU A 122 5.091 12.246 -3.281 1.00 70.12 H new ATOM 0 HG LEU A 122 3.638 14.186 -2.888 1.00 74.42 H new ATOM 0 HD11 LEU A 122 4.265 16.389 -3.773 1.00 45.15 H new ATOM 0 HD12 LEU A 122 5.308 15.892 -2.419 1.00 45.15 H new ATOM 0 HD13 LEU A 122 5.910 15.789 -4.091 1.00 45.15 H new ATOM 0 HD21 LEU A 122 3.312 14.717 -5.288 1.00 62.12 H new ATOM 0 HD22 LEU A 122 4.913 14.026 -5.647 1.00 62.12 H new ATOM 0 HD23 LEU A 122 3.610 12.981 -5.031 1.00 62.12 H new ATOM 1116 N LYS A 123 3.991 12.961 -0.440 1.00 61.00 N ATOM 1117 CA LYS A 123 2.872 13.332 0.430 1.00 65.42 C ATOM 1118 C LYS A 123 2.810 12.587 1.765 1.00 11.31 C ATOM 1119 O LYS A 123 2.436 13.146 2.792 1.00 14.14 O ATOM 1120 CB LYS A 123 1.550 13.264 -0.338 1.00 43.11 C ATOM 1121 CG LYS A 123 1.568 12.337 -1.541 1.00 61.20 C ATOM 1122 CD LYS A 123 0.361 12.537 -2.427 1.00 14.52 C ATOM 1123 CE LYS A 123 -0.947 12.321 -1.691 1.00 65.35 C ATOM 1124 NZ LYS A 123 -2.096 12.590 -2.558 1.00 72.44 N ATOM 0 H LYS A 123 3.900 12.039 -0.867 1.00 61.00 H new ATOM 0 HA LYS A 123 3.057 14.365 0.724 1.00 65.42 H new ATOM 0 HB2 LYS A 123 0.764 12.939 0.344 1.00 43.11 H new ATOM 0 HB3 LYS A 123 1.286 14.267 -0.672 1.00 43.11 H new ATOM 0 HG2 LYS A 123 2.475 12.511 -2.119 1.00 61.20 H new ATOM 0 HG3 LYS A 123 1.601 11.302 -1.201 1.00 61.20 H new ATOM 0 HD2 LYS A 123 0.380 13.547 -2.837 1.00 14.52 H new ATOM 0 HD3 LYS A 123 0.417 11.849 -3.271 1.00 14.52 H new ATOM 0 HE2 LYS A 123 -0.996 11.295 -1.326 1.00 65.35 H new ATOM 0 HE3 LYS A 123 -0.987 12.972 -0.818 1.00 65.35 H new ATOM 0 HZ1 LYS A 123 -2.976 12.434 -2.026 1.00 72.44 H new ATOM 0 HZ2 LYS A 123 -2.060 13.576 -2.886 1.00 72.44 H new ATOM 0 HZ3 LYS A 123 -2.069 11.951 -3.378 1.00 72.44 H new ATOM 1138 N TYR A 124 3.137 11.340 1.724 1.00 22.14 N ATOM 1139 CA TYR A 124 3.076 10.447 2.888 1.00 33.53 C ATOM 1140 C TYR A 124 4.348 10.545 3.729 1.00 14.40 C ATOM 1141 O TYR A 124 4.279 10.734 4.937 1.00 3.43 O ATOM 1142 CB TYR A 124 2.892 9.000 2.438 1.00 74.34 C ATOM 1143 CG TYR A 124 1.598 8.680 1.723 1.00 73.41 C ATOM 1144 CD1 TYR A 124 1.226 9.356 0.577 1.00 65.42 C ATOM 1145 CD2 TYR A 124 0.771 7.667 2.177 1.00 25.22 C ATOM 1146 CE1 TYR A 124 0.080 9.050 -0.085 1.00 1.22 C ATOM 1147 CE2 TYR A 124 -0.385 7.349 1.514 1.00 23.31 C ATOM 1148 CZ TYR A 124 -0.725 8.043 0.383 1.00 31.50 C ATOM 1149 OH TYR A 124 -1.887 7.745 -0.266 1.00 13.14 O ATOM 0 H TYR A 124 3.464 10.880 0.875 1.00 22.14 H new ATOM 0 HA TYR A 124 2.225 10.758 3.494 1.00 33.53 H new ATOM 0 HB2 TYR A 124 3.720 8.738 1.780 1.00 74.34 H new ATOM 0 HB3 TYR A 124 2.966 8.357 3.315 1.00 74.34 H new ATOM 0 HD1 TYR A 124 1.860 10.145 0.199 1.00 65.42 H new ATOM 0 HD2 TYR A 124 1.041 7.119 3.068 1.00 25.22 H new ATOM 0 HE1 TYR A 124 -0.196 9.597 -0.975 1.00 1.22 H new ATOM 0 HE2 TYR A 124 -1.023 6.558 1.880 1.00 23.31 H new ATOM 0 HH TYR A 124 -2.548 7.418 0.380 1.00 13.14 H new ATOM 1159 N HIS A 125 5.509 10.378 3.097 1.00 43.12 N ATOM 1160 CA HIS A 125 6.792 10.522 3.819 1.00 24.23 C ATOM 1161 C HIS A 125 7.592 11.719 3.278 1.00 12.23 C ATOM 1162 O HIS A 125 8.579 11.525 2.608 1.00 33.31 O ATOM 1163 CB HIS A 125 7.669 9.246 3.712 1.00 51.23 C ATOM 1164 CG HIS A 125 7.110 7.982 4.310 1.00 42.14 C ATOM 1165 ND1 HIS A 125 6.338 7.920 5.451 1.00 24.35 N ATOM 1166 CD2 HIS A 125 7.198 6.717 3.851 1.00 12.00 C ATOM 1167 CE1 HIS A 125 5.977 6.652 5.646 1.00 64.30 C ATOM 1168 NE2 HIS A 125 6.478 5.851 4.671 1.00 4.22 N ATOM 0 H HIS A 125 5.598 10.148 2.107 1.00 43.12 H new ATOM 0 HA HIS A 125 6.541 10.685 4.867 1.00 24.23 H new ATOM 0 HB2 HIS A 125 7.872 9.061 2.657 1.00 51.23 H new ATOM 0 HB3 HIS A 125 8.627 9.452 4.189 1.00 51.23 H new ATOM 0 HD1 HIS A 125 6.086 8.710 6.045 1.00 24.35 H new ATOM 0 HD2 HIS A 125 7.749 6.418 2.972 1.00 12.00 H new ATOM 0 HE1 HIS A 125 5.368 6.308 6.469 1.00 64.30 H new ATOM 1176 N PRO A 126 7.154 12.958 3.541 1.00 51.23 N ATOM 1177 CA PRO A 126 7.789 14.164 2.995 1.00 51.22 C ATOM 1178 C PRO A 126 9.146 14.505 3.615 1.00 44.50 C ATOM 1179 O PRO A 126 9.396 14.275 4.822 1.00 22.33 O ATOM 1180 CB PRO A 126 6.776 15.258 3.304 1.00 45.15 C ATOM 1181 CG PRO A 126 6.102 14.772 4.537 1.00 11.22 C ATOM 1182 CD PRO A 126 6.010 13.291 4.375 1.00 15.25 C ATOM 0 HA PRO A 126 8.017 14.035 1.937 1.00 51.22 H new ATOM 0 HB2 PRO A 126 7.262 16.220 3.465 1.00 45.15 H new ATOM 0 HB3 PRO A 126 6.068 15.392 2.486 1.00 45.15 H new ATOM 0 HG2 PRO A 126 6.672 15.036 5.428 1.00 11.22 H new ATOM 0 HG3 PRO A 126 5.114 15.218 4.647 1.00 11.22 H new ATOM 0 HD2 PRO A 126 6.055 12.780 5.337 1.00 15.25 H new ATOM 0 HD3 PRO A 126 5.072 12.998 3.902 1.00 15.25 H new ATOM 1190 N GLY A 127 10.008 15.060 2.786 1.00 13.23 N ATOM 1191 CA GLY A 127 11.315 15.481 3.199 1.00 63.34 C ATOM 1192 C GLY A 127 12.256 15.568 2.023 1.00 71.42 C ATOM 1193 O GLY A 127 12.971 16.568 1.849 1.00 34.34 O ATOM 0 H GLY A 127 9.811 15.229 1.800 1.00 13.23 H new ATOM 0 HA2 GLY A 127 11.249 16.453 3.688 1.00 63.34 H new ATOM 0 HA3 GLY A 127 11.711 14.780 3.934 1.00 63.34 H new ATOM 1197 N GLU A 128 12.226 14.548 1.193 1.00 71.24 N ATOM 1198 CA GLU A 128 13.069 14.455 0.011 1.00 70.43 C ATOM 1199 C GLU A 128 12.522 13.373 -0.896 1.00 72.02 C ATOM 1200 O GLU A 128 11.626 12.629 -0.501 1.00 60.05 O ATOM 1201 CB GLU A 128 14.525 14.119 0.378 1.00 4.32 C ATOM 1202 CG GLU A 128 14.687 12.844 1.197 1.00 31.33 C ATOM 1203 CD GLU A 128 16.128 12.441 1.354 1.00 15.02 C ATOM 1204 OE1 GLU A 128 16.930 13.229 1.887 1.00 15.23 O ATOM 1205 OE2 GLU A 128 16.496 11.340 0.908 1.00 2.21 O ATOM 0 H GLU A 128 11.608 13.746 1.318 1.00 71.24 H new ATOM 0 HA GLU A 128 13.063 15.422 -0.492 1.00 70.43 H new ATOM 0 HB2 GLU A 128 15.106 14.024 -0.539 1.00 4.32 H new ATOM 0 HB3 GLU A 128 14.948 14.953 0.938 1.00 4.32 H new ATOM 0 HG2 GLU A 128 14.244 12.990 2.182 1.00 31.33 H new ATOM 0 HG3 GLU A 128 14.137 12.035 0.717 1.00 31.33 H new ATOM 1212 N GLU A 129 13.059 13.256 -2.083 1.00 54.21 N ATOM 1213 CA GLU A 129 12.609 12.239 -2.982 1.00 20.33 C ATOM 1214 C GLU A 129 13.751 11.303 -3.301 1.00 61.00 C ATOM 1215 O GLU A 129 14.551 11.564 -4.204 1.00 23.13 O ATOM 1216 CB GLU A 129 12.077 12.867 -4.250 1.00 32.43 C ATOM 1217 CG GLU A 129 11.438 11.890 -5.224 1.00 63.12 C ATOM 1218 CD GLU A 129 10.965 12.565 -6.481 1.00 73.04 C ATOM 1219 OE1 GLU A 129 9.889 13.202 -6.467 1.00 34.41 O ATOM 1220 OE2 GLU A 129 11.677 12.501 -7.517 1.00 33.24 O ATOM 0 H GLU A 129 13.804 13.852 -2.443 1.00 54.21 H new ATOM 0 HA GLU A 129 11.806 11.672 -2.511 1.00 20.33 H new ATOM 0 HB2 GLU A 129 11.341 13.626 -3.983 1.00 32.43 H new ATOM 0 HB3 GLU A 129 12.895 13.380 -4.756 1.00 32.43 H new ATOM 0 HG2 GLU A 129 12.158 11.113 -5.480 1.00 63.12 H new ATOM 0 HG3 GLU A 129 10.595 11.397 -4.740 1.00 63.12 H new ATOM 1227 N ASN A 130 13.853 10.231 -2.523 1.00 53.15 N ATOM 1228 CA ASN A 130 14.906 9.228 -2.689 1.00 72.32 C ATOM 1229 C ASN A 130 14.395 7.902 -2.216 1.00 35.01 C ATOM 1230 O ASN A 130 14.440 7.602 -1.037 1.00 62.41 O ATOM 1231 CB ASN A 130 16.178 9.606 -1.884 1.00 61.01 C ATOM 1232 CG ASN A 130 16.797 10.893 -2.379 1.00 62.22 C ATOM 1233 OD1 ASN A 130 17.694 10.901 -3.228 1.00 2.21 O ATOM 1234 ND2 ASN A 130 16.317 11.990 -1.855 1.00 1.24 N ATOM 0 H ASN A 130 13.209 10.030 -1.758 1.00 53.15 H new ATOM 0 HA ASN A 130 15.174 9.180 -3.744 1.00 72.32 H new ATOM 0 HB2 ASN A 130 15.923 9.708 -0.829 1.00 61.01 H new ATOM 0 HB3 ASN A 130 16.908 8.800 -1.959 1.00 61.01 H new ATOM 0 HD21 ASN A 130 16.684 12.897 -2.145 1.00 1.24 H new ATOM 0 HD22 ASN A 130 15.576 11.939 -1.156 1.00 1.24 H new ATOM 1241 N PHE A 131 13.869 7.149 -3.120 1.00 52.31 N ATOM 1242 CA PHE A 131 13.360 5.832 -2.840 1.00 2.14 C ATOM 1243 C PHE A 131 14.203 4.791 -3.546 1.00 24.22 C ATOM 1244 O PHE A 131 14.582 4.970 -4.710 1.00 43.51 O ATOM 1245 CB PHE A 131 11.919 5.702 -3.299 1.00 52.35 C ATOM 1246 CG PHE A 131 10.882 5.661 -2.211 1.00 60.21 C ATOM 1247 CD1 PHE A 131 10.790 4.575 -1.373 1.00 42.00 C ATOM 1248 CD2 PHE A 131 9.964 6.666 -2.079 1.00 31.43 C ATOM 1249 CE1 PHE A 131 9.797 4.494 -0.418 1.00 73.10 C ATOM 1250 CE2 PHE A 131 8.954 6.588 -1.128 1.00 60.25 C ATOM 1251 CZ PHE A 131 8.873 5.498 -0.305 1.00 3.11 C ATOM 0 H PHE A 131 13.774 7.428 -4.096 1.00 52.31 H new ATOM 0 HA PHE A 131 13.404 5.673 -1.762 1.00 2.14 H new ATOM 0 HB2 PHE A 131 11.692 6.539 -3.959 1.00 52.35 H new ATOM 0 HB3 PHE A 131 11.829 4.793 -3.894 1.00 52.35 H new ATOM 0 HD1 PHE A 131 11.507 3.772 -1.464 1.00 42.00 H new ATOM 0 HD2 PHE A 131 10.025 7.531 -2.722 1.00 31.43 H new ATOM 0 HE1 PHE A 131 9.749 3.639 0.240 1.00 73.10 H new ATOM 0 HE2 PHE A 131 8.233 7.387 -1.038 1.00 60.25 H new ATOM 0 HZ PHE A 131 8.084 5.430 0.430 1.00 3.11 H new ATOM 1261 N LYS A 132 14.480 3.728 -2.861 1.00 53.11 N ATOM 1262 CA LYS A 132 15.306 2.659 -3.364 1.00 14.51 C ATOM 1263 C LYS A 132 14.413 1.438 -3.561 1.00 74.25 C ATOM 1264 O LYS A 132 13.326 1.391 -3.019 1.00 52.35 O ATOM 1265 CB LYS A 132 16.394 2.319 -2.337 1.00 33.15 C ATOM 1266 CG LYS A 132 15.995 1.217 -1.367 1.00 53.21 C ATOM 1267 CD LYS A 132 17.101 0.836 -0.448 1.00 51.25 C ATOM 1268 CE LYS A 132 16.833 -0.536 0.118 1.00 40.32 C ATOM 1269 NZ LYS A 132 17.892 -0.985 1.042 1.00 73.43 N ATOM 0 H LYS A 132 14.134 3.568 -1.915 1.00 53.11 H new ATOM 0 HA LYS A 132 15.779 2.954 -4.300 1.00 14.51 H new ATOM 0 HB2 LYS A 132 17.298 2.016 -2.865 1.00 33.15 H new ATOM 0 HB3 LYS A 132 16.641 3.217 -1.771 1.00 33.15 H new ATOM 0 HG2 LYS A 132 15.138 1.547 -0.780 1.00 53.21 H new ATOM 0 HG3 LYS A 132 15.677 0.340 -1.930 1.00 53.21 H new ATOM 0 HD2 LYS A 132 18.051 0.842 -0.983 1.00 51.25 H new ATOM 0 HD3 LYS A 132 17.185 1.564 0.359 1.00 51.25 H new ATOM 0 HE2 LYS A 132 15.877 -0.528 0.642 1.00 40.32 H new ATOM 0 HE3 LYS A 132 16.742 -1.251 -0.700 1.00 40.32 H new ATOM 0 HZ1 LYS A 132 17.660 -1.932 1.402 1.00 73.43 H new ATOM 0 HZ2 LYS A 132 18.801 -1.020 0.538 1.00 73.43 H new ATOM 0 HZ3 LYS A 132 17.963 -0.320 1.838 1.00 73.43 H new ATOM 1283 N LEU A 133 14.877 0.451 -4.268 1.00 53.34 N ATOM 1284 CA LEU A 133 14.096 -0.737 -4.466 1.00 73.33 C ATOM 1285 C LEU A 133 14.873 -1.935 -3.967 1.00 42.51 C ATOM 1286 O LEU A 133 16.097 -1.992 -4.109 1.00 25.25 O ATOM 1287 CB LEU A 133 13.672 -0.953 -5.933 1.00 43.22 C ATOM 1288 CG LEU A 133 14.791 -1.119 -6.965 1.00 73.33 C ATOM 1289 CD1 LEU A 133 14.249 -1.827 -8.186 1.00 70.45 C ATOM 1290 CD2 LEU A 133 15.358 0.236 -7.381 1.00 41.10 C ATOM 0 H LEU A 133 15.792 0.443 -4.718 1.00 53.34 H new ATOM 0 HA LEU A 133 13.174 -0.614 -3.897 1.00 73.33 H new ATOM 0 HB2 LEU A 133 13.039 -1.839 -5.975 1.00 43.22 H new ATOM 0 HB3 LEU A 133 13.056 -0.106 -6.235 1.00 43.22 H new ATOM 0 HG LEU A 133 15.590 -1.706 -6.513 1.00 73.33 H new ATOM 0 HD11 LEU A 133 15.045 -1.946 -8.921 1.00 70.45 H new ATOM 0 HD12 LEU A 133 13.871 -2.808 -7.900 1.00 70.45 H new ATOM 0 HD13 LEU A 133 13.440 -1.238 -8.619 1.00 70.45 H new ATOM 0 HD21 LEU A 133 16.151 0.089 -8.114 1.00 41.10 H new ATOM 0 HD22 LEU A 133 14.566 0.843 -7.820 1.00 41.10 H new ATOM 0 HD23 LEU A 133 15.763 0.745 -6.506 1.00 41.10 H new ATOM 1302 N THR A 134 14.191 -2.831 -3.347 1.00 22.24 N ATOM 1303 CA THR A 134 14.761 -4.033 -2.835 1.00 63.01 C ATOM 1304 C THR A 134 13.689 -5.123 -2.923 1.00 1.10 C ATOM 1305 O THR A 134 12.583 -4.928 -2.461 1.00 42.41 O ATOM 1306 CB THR A 134 15.252 -3.802 -1.356 1.00 15.33 C ATOM 1307 OG1 THR A 134 15.779 -4.995 -0.771 1.00 75.24 O ATOM 1308 CG2 THR A 134 14.152 -3.224 -0.463 1.00 14.21 C ATOM 0 H THR A 134 13.189 -2.748 -3.175 1.00 22.24 H new ATOM 0 HA THR A 134 15.633 -4.341 -3.412 1.00 63.01 H new ATOM 0 HB THR A 134 16.056 -3.069 -1.422 1.00 15.33 H new ATOM 0 HG1 THR A 134 16.073 -4.808 0.145 1.00 75.24 H new ATOM 0 HG21 THR A 134 14.539 -3.083 0.546 1.00 14.21 H new ATOM 0 HG22 THR A 134 13.825 -2.265 -0.864 1.00 14.21 H new ATOM 0 HG23 THR A 134 13.307 -3.912 -0.434 1.00 14.21 H new ATOM 1316 N MET A 135 13.950 -6.242 -3.564 1.00 31.01 N ATOM 1317 CA MET A 135 12.872 -7.198 -3.643 1.00 30.02 C ATOM 1318 C MET A 135 13.087 -8.180 -2.556 1.00 61.35 C ATOM 1319 O MET A 135 13.989 -9.014 -2.642 1.00 52.40 O ATOM 1320 CB MET A 135 12.902 -7.990 -4.974 1.00 4.24 C ATOM 1321 CG MET A 135 13.362 -7.230 -6.209 1.00 13.53 C ATOM 1322 SD MET A 135 15.140 -6.822 -6.220 1.00 51.42 S ATOM 1323 CE MET A 135 15.875 -8.460 -6.124 1.00 41.10 C ATOM 0 H MET A 135 14.831 -6.500 -4.008 1.00 31.01 H new ATOM 0 HA MET A 135 11.924 -6.665 -3.570 1.00 30.02 H new ATOM 0 HB2 MET A 135 13.555 -8.853 -4.842 1.00 4.24 H new ATOM 0 HB3 MET A 135 11.900 -8.375 -5.164 1.00 4.24 H new ATOM 0 HG2 MET A 135 13.132 -7.824 -7.093 1.00 13.53 H new ATOM 0 HG3 MET A 135 12.789 -6.306 -6.287 1.00 13.53 H new ATOM 0 HE1 MET A 135 16.902 -8.420 -6.488 1.00 41.10 H new ATOM 0 HE2 MET A 135 15.870 -8.801 -5.089 1.00 41.10 H new ATOM 0 HE3 MET A 135 15.299 -9.154 -6.737 1.00 41.10 H new ATOM 1333 N VAL A 136 12.304 -8.076 -1.535 1.00 35.22 N ATOM 1334 CA VAL A 136 12.297 -9.019 -0.452 1.00 0.23 C ATOM 1335 C VAL A 136 10.919 -9.085 0.156 1.00 43.14 C ATOM 1336 O VAL A 136 10.529 -8.169 0.776 1.00 72.11 O ATOM 1337 CB VAL A 136 13.374 -8.689 0.658 1.00 55.20 C ATOM 1338 CG1 VAL A 136 14.734 -9.266 0.301 1.00 74.20 C ATOM 1339 CG2 VAL A 136 13.521 -7.182 0.838 1.00 33.11 C ATOM 0 H VAL A 136 11.632 -7.317 -1.422 1.00 35.22 H new ATOM 0 HA VAL A 136 12.567 -9.990 -0.867 1.00 0.23 H new ATOM 0 HB VAL A 136 13.023 -9.142 1.585 1.00 55.20 H new ATOM 0 HG11 VAL A 136 15.450 -9.021 1.085 1.00 74.20 H new ATOM 0 HG12 VAL A 136 14.656 -10.349 0.206 1.00 74.20 H new ATOM 0 HG13 VAL A 136 15.072 -8.843 -0.645 1.00 74.20 H new ATOM 0 HG21 VAL A 136 14.267 -6.978 1.606 1.00 33.11 H new ATOM 0 HG22 VAL A 136 13.837 -6.732 -0.103 1.00 33.11 H new ATOM 0 HG23 VAL A 136 12.564 -6.757 1.140 1.00 33.11 H new ATOM 1349 N LYS A 137 10.187 -10.103 0.011 1.00 52.31 N ATOM 1350 CA LYS A 137 8.966 -10.139 0.768 1.00 22.31 C ATOM 1351 C LYS A 137 8.805 -11.503 1.301 1.00 40.20 C ATOM 1352 O LYS A 137 8.520 -12.443 0.566 1.00 12.53 O ATOM 1353 CB LYS A 137 7.768 -9.670 -0.012 1.00 72.11 C ATOM 1354 CG LYS A 137 6.595 -9.179 0.836 1.00 61.52 C ATOM 1355 CD LYS A 137 6.929 -7.837 1.490 1.00 11.43 C ATOM 1356 CE LYS A 137 5.701 -7.119 2.056 1.00 20.34 C ATOM 1357 NZ LYS A 137 5.216 -7.695 3.341 1.00 50.44 N ATOM 0 H LYS A 137 10.376 -10.904 -0.591 1.00 52.31 H new ATOM 0 HA LYS A 137 9.033 -9.429 1.592 1.00 22.31 H new ATOM 0 HB2 LYS A 137 8.079 -8.864 -0.676 1.00 72.11 H new ATOM 0 HB3 LYS A 137 7.422 -10.488 -0.644 1.00 72.11 H new ATOM 0 HG2 LYS A 137 5.707 -9.075 0.213 1.00 61.52 H new ATOM 0 HG3 LYS A 137 6.361 -9.916 1.604 1.00 61.52 H new ATOM 0 HD2 LYS A 137 7.648 -8.000 2.293 1.00 11.43 H new ATOM 0 HD3 LYS A 137 7.412 -7.193 0.756 1.00 11.43 H new ATOM 0 HE2 LYS A 137 5.943 -6.067 2.207 1.00 20.34 H new ATOM 0 HE3 LYS A 137 4.896 -7.159 1.322 1.00 20.34 H new ATOM 0 HZ1 LYS A 137 4.299 -8.161 3.188 1.00 50.44 H new ATOM 0 HZ2 LYS A 137 5.904 -8.392 3.691 1.00 50.44 H new ATOM 0 HZ3 LYS A 137 5.106 -6.935 4.042 1.00 50.44 H new ATOM 1371 N ARG A 138 8.998 -11.620 2.551 1.00 32.13 N ATOM 1372 CA ARG A 138 9.059 -12.883 3.175 1.00 53.30 C ATOM 1373 C ARG A 138 7.738 -13.159 3.817 1.00 20.35 C ATOM 1374 O ARG A 138 6.979 -12.210 4.086 1.00 54.30 O ATOM 1375 CB ARG A 138 10.231 -12.932 4.174 1.00 72.32 C ATOM 1376 CG ARG A 138 11.614 -12.636 3.544 1.00 21.41 C ATOM 1377 CD ARG A 138 11.838 -11.134 3.249 1.00 44.35 C ATOM 1378 NE ARG A 138 11.807 -10.290 4.462 1.00 72.11 N ATOM 1379 CZ ARG A 138 11.640 -8.939 4.482 1.00 41.14 C ATOM 1380 NH1 ARG A 138 11.303 -8.284 3.376 1.00 13.44 N ATOM 1381 NH2 ARG A 138 11.765 -8.267 5.621 1.00 43.43 N ATOM 0 H ARG A 138 9.121 -10.830 3.185 1.00 32.13 H new ATOM 0 HA ARG A 138 9.251 -13.667 2.442 1.00 53.30 H new ATOM 0 HB2 ARG A 138 10.045 -12.211 4.971 1.00 72.32 H new ATOM 0 HB3 ARG A 138 10.259 -13.919 4.637 1.00 72.32 H new ATOM 0 HG2 ARG A 138 12.396 -12.988 4.217 1.00 21.41 H new ATOM 0 HG3 ARG A 138 11.713 -13.201 2.617 1.00 21.41 H new ATOM 0 HD2 ARG A 138 12.799 -11.008 2.751 1.00 44.35 H new ATOM 0 HD3 ARG A 138 11.072 -10.789 2.555 1.00 44.35 H new ATOM 0 HE ARG A 138 11.920 -10.760 5.360 1.00 72.11 H new ATOM 0 HH11 ARG A 138 11.167 -8.794 2.503 1.00 13.44 H new ATOM 0 HH12 ARG A 138 11.180 -7.272 3.400 1.00 13.44 H new ATOM 0 HH21 ARG A 138 11.987 -8.763 6.484 1.00 43.43 H new ATOM 0 HH22 ARG A 138 11.639 -7.255 5.632 1.00 43.43 H new ATOM 1395 N ASN A 139 7.419 -14.443 3.986 1.00 33.12 N ATOM 1396 CA ASN A 139 6.121 -14.932 4.522 1.00 73.03 C ATOM 1397 C ASN A 139 5.054 -14.788 3.431 1.00 32.22 C ATOM 1398 O ASN A 139 4.446 -15.773 2.994 1.00 34.35 O ATOM 1399 CB ASN A 139 5.710 -14.189 5.836 1.00 20.14 C ATOM 1400 CG ASN A 139 4.480 -14.764 6.542 1.00 14.15 C ATOM 1401 OD1 ASN A 139 3.576 -15.315 5.933 1.00 3.12 O ATOM 1402 ND2 ASN A 139 4.433 -14.614 7.837 1.00 33.34 N ATOM 0 H ASN A 139 8.062 -15.200 3.752 1.00 33.12 H new ATOM 0 HA ASN A 139 6.222 -15.983 4.794 1.00 73.03 H new ATOM 0 HB2 ASN A 139 6.552 -14.212 6.528 1.00 20.14 H new ATOM 0 HB3 ASN A 139 5.519 -13.142 5.600 1.00 20.14 H new ATOM 0 HD21 ASN A 139 3.630 -14.960 8.362 1.00 33.34 H new ATOM 0 HD22 ASN A 139 5.200 -14.151 8.325 1.00 33.34 H new ATOM 1409 N ASN A 140 4.928 -13.568 2.949 1.00 62.14 N ATOM 1410 CA ASN A 140 4.004 -13.155 1.898 1.00 42.34 C ATOM 1411 C ASN A 140 4.536 -13.633 0.533 1.00 75.14 C ATOM 1412 O ASN A 140 5.290 -14.608 0.439 1.00 31.21 O ATOM 1413 CB ASN A 140 3.958 -11.610 1.850 1.00 5.20 C ATOM 1414 CG ASN A 140 3.608 -10.919 3.150 1.00 31.41 C ATOM 1415 OD1 ASN A 140 2.455 -10.679 3.434 1.00 73.24 O ATOM 1416 ND2 ASN A 140 4.614 -10.549 3.928 1.00 74.02 N ATOM 0 H ASN A 140 5.495 -12.793 3.294 1.00 62.14 H new ATOM 0 HA ASN A 140 3.020 -13.576 2.102 1.00 42.34 H new ATOM 0 HB2 ASN A 140 4.931 -11.247 1.518 1.00 5.20 H new ATOM 0 HB3 ASN A 140 3.231 -11.311 1.095 1.00 5.20 H new ATOM 0 HD21 ASN A 140 4.429 -10.046 4.796 1.00 74.02 H new ATOM 0 HD22 ASN A 140 5.573 -10.767 3.659 1.00 74.02 H new ATOM 1423 N GLN A 141 4.183 -12.918 -0.508 1.00 72.41 N ATOM 1424 CA GLN A 141 4.617 -13.227 -1.836 1.00 14.12 C ATOM 1425 C GLN A 141 5.831 -12.402 -2.098 1.00 64.31 C ATOM 1426 O GLN A 141 6.020 -11.420 -1.417 1.00 13.41 O ATOM 1427 CB GLN A 141 3.553 -12.857 -2.873 1.00 15.12 C ATOM 1428 CG GLN A 141 3.260 -11.371 -3.071 1.00 60.23 C ATOM 1429 CD GLN A 141 2.458 -10.738 -1.966 1.00 31.13 C ATOM 1430 OE1 GLN A 141 1.241 -10.708 -2.008 1.00 13.44 O ATOM 1431 NE2 GLN A 141 3.132 -10.203 -0.993 1.00 10.32 N ATOM 0 H GLN A 141 3.580 -12.098 -0.449 1.00 72.41 H new ATOM 0 HA GLN A 141 4.812 -14.297 -1.915 1.00 14.12 H new ATOM 0 HB2 GLN A 141 3.858 -13.272 -3.833 1.00 15.12 H new ATOM 0 HB3 GLN A 141 2.622 -13.351 -2.593 1.00 15.12 H new ATOM 0 HG2 GLN A 141 4.206 -10.837 -3.167 1.00 60.23 H new ATOM 0 HG3 GLN A 141 2.724 -11.242 -4.011 1.00 60.23 H new ATOM 0 HE21 GLN A 141 4.151 -10.249 -0.993 1.00 10.32 H new ATOM 0 HE22 GLN A 141 2.642 -9.737 -0.229 1.00 10.32 H new ATOM 1440 N THR A 142 6.583 -12.705 -3.102 1.00 62.12 N ATOM 1441 CA THR A 142 7.774 -11.953 -3.341 1.00 0.42 C ATOM 1442 C THR A 142 7.507 -10.810 -4.320 1.00 51.10 C ATOM 1443 O THR A 142 7.234 -10.987 -5.512 1.00 13.41 O ATOM 1444 CB THR A 142 8.943 -12.858 -3.751 1.00 33.43 C ATOM 1445 OG1 THR A 142 8.418 -14.163 -4.113 1.00 4.24 O ATOM 1446 CG2 THR A 142 9.945 -12.993 -2.583 1.00 54.03 C ATOM 0 H THR A 142 6.400 -13.458 -3.765 1.00 62.12 H new ATOM 0 HA THR A 142 8.085 -11.488 -2.406 1.00 0.42 H new ATOM 0 HB THR A 142 9.465 -12.422 -4.603 1.00 33.43 H new ATOM 0 HG1 THR A 142 9.156 -14.750 -4.379 1.00 4.24 H new ATOM 0 HG21 THR A 142 10.771 -13.637 -2.885 1.00 54.03 H new ATOM 0 HG22 THR A 142 10.331 -12.008 -2.319 1.00 54.03 H new ATOM 0 HG23 THR A 142 9.441 -13.429 -1.720 1.00 54.03 H new ATOM 1454 N ILE A 143 7.556 -9.657 -3.739 1.00 74.23 N ATOM 1455 CA ILE A 143 7.206 -8.365 -4.281 1.00 33.54 C ATOM 1456 C ILE A 143 8.294 -7.351 -3.971 1.00 24.41 C ATOM 1457 O ILE A 143 9.098 -7.588 -3.059 1.00 13.43 O ATOM 1458 CB ILE A 143 5.786 -7.879 -3.863 1.00 43.41 C ATOM 1459 CG1 ILE A 143 5.552 -8.011 -2.391 1.00 64.24 C ATOM 1460 CG2 ILE A 143 4.697 -8.566 -4.630 1.00 60.14 C ATOM 1461 CD1 ILE A 143 6.193 -6.911 -1.621 1.00 63.10 C ATOM 0 H ILE A 143 7.874 -9.578 -2.773 1.00 74.23 H new ATOM 0 HA ILE A 143 7.146 -8.473 -5.364 1.00 33.54 H new ATOM 0 HB ILE A 143 5.751 -6.819 -4.114 1.00 43.41 H new ATOM 0 HG12 ILE A 143 4.480 -8.014 -2.194 1.00 64.24 H new ATOM 0 HG13 ILE A 143 5.942 -8.969 -2.047 1.00 64.24 H new ATOM 0 HG21 ILE A 143 3.728 -8.191 -4.301 1.00 60.14 H new ATOM 0 HG22 ILE A 143 4.820 -8.367 -5.695 1.00 60.14 H new ATOM 0 HG23 ILE A 143 4.750 -9.640 -4.454 1.00 60.14 H new ATOM 0 HD11 ILE A 143 5.996 -7.049 -0.558 1.00 63.10 H new ATOM 0 HD12 ILE A 143 7.269 -6.924 -1.796 1.00 63.10 H new ATOM 0 HD13 ILE A 143 5.784 -5.954 -1.945 1.00 63.10 H new ATOM 1473 N PHE A 144 8.375 -6.289 -4.733 1.00 62.35 N ATOM 1474 CA PHE A 144 9.476 -5.359 -4.617 1.00 22.51 C ATOM 1475 C PHE A 144 9.132 -4.335 -3.571 1.00 61.33 C ATOM 1476 O PHE A 144 8.068 -3.711 -3.610 1.00 72.35 O ATOM 1477 CB PHE A 144 9.601 -4.539 -5.897 1.00 60.21 C ATOM 1478 CG PHE A 144 9.827 -5.268 -7.167 1.00 2.31 C ATOM 1479 CD1 PHE A 144 8.775 -5.849 -7.856 1.00 1.40 C ATOM 1480 CD2 PHE A 144 11.077 -5.309 -7.704 1.00 71.42 C ATOM 1481 CE1 PHE A 144 8.986 -6.466 -9.065 1.00 54.45 C ATOM 1482 CE2 PHE A 144 11.308 -5.932 -8.910 1.00 63.31 C ATOM 1483 CZ PHE A 144 10.257 -6.508 -9.595 1.00 62.32 C ATOM 0 H PHE A 144 7.688 -6.044 -5.446 1.00 62.35 H new ATOM 0 HA PHE A 144 10.377 -5.930 -4.395 1.00 22.51 H new ATOM 0 HB2 PHE A 144 8.691 -3.950 -6.007 1.00 60.21 H new ATOM 0 HB3 PHE A 144 10.423 -3.835 -5.765 1.00 60.21 H new ATOM 0 HD1 PHE A 144 7.779 -5.817 -7.439 1.00 1.40 H new ATOM 0 HD2 PHE A 144 11.899 -4.847 -7.177 1.00 71.42 H new ATOM 0 HE1 PHE A 144 8.161 -6.915 -9.597 1.00 54.45 H new ATOM 0 HE2 PHE A 144 12.307 -5.970 -9.318 1.00 63.31 H new ATOM 0 HZ PHE A 144 10.431 -6.991 -10.545 1.00 62.32 H new ATOM 1493 N GLU A 145 10.024 -4.177 -2.645 1.00 44.23 N ATOM 1494 CA GLU A 145 9.858 -3.263 -1.587 1.00 54.11 C ATOM 1495 C GLU A 145 10.624 -2.002 -1.936 1.00 33.12 C ATOM 1496 O GLU A 145 11.692 -2.068 -2.549 1.00 30.22 O ATOM 1497 CB GLU A 145 10.351 -3.859 -0.256 1.00 4.55 C ATOM 1498 CG GLU A 145 9.778 -5.217 0.100 1.00 75.30 C ATOM 1499 CD GLU A 145 9.767 -5.478 1.614 1.00 72.21 C ATOM 1500 OE1 GLU A 145 10.826 -5.818 2.209 1.00 32.12 O ATOM 1501 OE2 GLU A 145 8.685 -5.348 2.244 1.00 12.32 O ATOM 0 H GLU A 145 10.902 -4.696 -2.613 1.00 44.23 H new ATOM 0 HA GLU A 145 8.801 -3.034 -1.456 1.00 54.11 H new ATOM 0 HB2 GLU A 145 11.437 -3.940 -0.294 1.00 4.55 H new ATOM 0 HB3 GLU A 145 10.112 -3.161 0.546 1.00 4.55 H new ATOM 0 HG2 GLU A 145 8.761 -5.289 -0.284 1.00 75.30 H new ATOM 0 HG3 GLU A 145 10.362 -5.994 -0.394 1.00 75.30 H new ATOM 1508 N GLN A 146 10.080 -0.879 -1.605 1.00 64.44 N ATOM 1509 CA GLN A 146 10.702 0.373 -1.921 1.00 23.11 C ATOM 1510 C GLN A 146 10.952 1.126 -0.613 1.00 21.35 C ATOM 1511 O GLN A 146 9.989 1.472 0.098 1.00 13.15 O ATOM 1512 CB GLN A 146 9.777 1.157 -2.870 1.00 62.23 C ATOM 1513 CG GLN A 146 10.502 2.202 -3.678 1.00 2.53 C ATOM 1514 CD GLN A 146 9.635 2.922 -4.679 1.00 54.21 C ATOM 1515 OE1 GLN A 146 9.503 2.501 -5.812 1.00 25.34 O ATOM 1516 NE2 GLN A 146 9.052 4.022 -4.284 1.00 60.55 N ATOM 0 H GLN A 146 9.193 -0.798 -1.108 1.00 64.44 H new ATOM 0 HA GLN A 146 11.658 0.233 -2.425 1.00 23.11 H new ATOM 0 HB2 GLN A 146 9.287 0.458 -3.548 1.00 62.23 H new ATOM 0 HB3 GLN A 146 8.992 1.638 -2.286 1.00 62.23 H new ATOM 0 HG2 GLN A 146 10.936 2.934 -2.997 1.00 2.53 H new ATOM 0 HG3 GLN A 146 11.329 1.727 -4.206 1.00 2.53 H new ATOM 0 HE21 GLN A 146 9.180 4.352 -3.327 1.00 60.55 H new ATOM 0 HE22 GLN A 146 8.468 4.551 -4.932 1.00 60.55 H new ATOM 1525 N THR A 147 12.221 1.313 -0.255 1.00 52.02 N ATOM 1526 CA THR A 147 12.586 1.946 1.012 1.00 73.21 C ATOM 1527 C THR A 147 13.243 3.280 0.776 1.00 73.44 C ATOM 1528 O THR A 147 13.728 3.554 -0.314 1.00 70.33 O ATOM 1529 CB THR A 147 13.578 1.076 1.805 1.00 60.12 C ATOM 1530 OG1 THR A 147 13.766 -0.196 1.145 1.00 60.23 O ATOM 1531 CG2 THR A 147 13.062 0.850 3.223 1.00 11.44 C ATOM 0 H THR A 147 13.018 1.034 -0.827 1.00 52.02 H new ATOM 0 HA THR A 147 11.662 2.070 1.577 1.00 73.21 H new ATOM 0 HB THR A 147 14.535 1.596 1.853 1.00 60.12 H new ATOM 0 HG1 THR A 147 14.125 -0.846 1.784 1.00 60.23 H new ATOM 0 HG21 THR A 147 13.772 0.233 3.774 1.00 11.44 H new ATOM 0 HG22 THR A 147 12.948 1.810 3.726 1.00 11.44 H new ATOM 0 HG23 THR A 147 12.097 0.345 3.183 1.00 11.44 H new ATOM 1539 N ILE A 148 13.268 4.090 1.778 1.00 14.12 N ATOM 1540 CA ILE A 148 13.880 5.373 1.702 1.00 33.32 C ATOM 1541 C ILE A 148 15.129 5.335 2.552 1.00 1.22 C ATOM 1542 O ILE A 148 15.231 4.547 3.484 1.00 50.23 O ATOM 1543 CB ILE A 148 12.936 6.452 2.255 1.00 44.42 C ATOM 1544 CG1 ILE A 148 11.542 6.184 1.724 1.00 3.33 C ATOM 1545 CG2 ILE A 148 13.411 7.804 1.757 1.00 62.01 C ATOM 1546 CD1 ILE A 148 10.410 6.802 2.488 1.00 2.25 C ATOM 0 H ILE A 148 12.858 3.877 2.687 1.00 14.12 H new ATOM 0 HA ILE A 148 14.112 5.612 0.664 1.00 33.32 H new ATOM 0 HB ILE A 148 12.928 6.439 3.345 1.00 44.42 H new ATOM 0 HG12 ILE A 148 11.494 6.539 0.695 1.00 3.33 H new ATOM 0 HG13 ILE A 148 11.388 5.105 1.697 1.00 3.33 H new ATOM 0 HG21 ILE A 148 12.753 8.584 2.139 1.00 62.01 H new ATOM 0 HG22 ILE A 148 14.428 7.984 2.106 1.00 62.01 H new ATOM 0 HG23 ILE A 148 13.394 7.817 0.667 1.00 62.01 H new ATOM 0 HD11 ILE A 148 9.465 6.540 2.013 1.00 2.25 H new ATOM 0 HD12 ILE A 148 10.417 6.430 3.513 1.00 2.25 H new ATOM 0 HD13 ILE A 148 10.524 7.886 2.495 1.00 2.25 H new ATOM 1558 N ASN A 149 16.063 6.171 2.231 1.00 74.14 N ATOM 1559 CA ASN A 149 17.318 6.260 2.956 1.00 31.00 C ATOM 1560 C ASN A 149 17.272 7.382 3.971 1.00 65.43 C ATOM 1561 O ASN A 149 18.287 7.746 4.550 1.00 70.43 O ATOM 1562 CB ASN A 149 18.481 6.503 1.967 1.00 51.54 C ATOM 1563 CG ASN A 149 18.230 7.613 0.926 1.00 1.33 C ATOM 1564 OD1 ASN A 149 18.748 7.552 -0.172 1.00 45.33 O ATOM 1565 ND2 ASN A 149 17.472 8.636 1.256 1.00 65.43 N ATOM 0 H ASN A 149 15.988 6.825 1.451 1.00 74.14 H new ATOM 0 HA ASN A 149 17.478 5.319 3.483 1.00 31.00 H new ATOM 0 HB2 ASN A 149 19.376 6.755 2.536 1.00 51.54 H new ATOM 0 HB3 ASN A 149 18.690 5.572 1.440 1.00 51.54 H new ATOM 0 HD21 ASN A 149 17.313 9.390 0.587 1.00 65.43 H new ATOM 0 HD22 ASN A 149 17.043 8.676 2.181 1.00 65.43 H new ATOM 1572 N ASP A 150 16.097 7.935 4.178 1.00 71.24 N ATOM 1573 CA ASP A 150 15.970 9.115 5.008 1.00 33.35 C ATOM 1574 C ASP A 150 14.639 9.158 5.714 1.00 1.34 C ATOM 1575 O ASP A 150 14.557 9.147 6.932 1.00 35.31 O ATOM 1576 CB ASP A 150 16.073 10.313 4.113 1.00 34.21 C ATOM 1577 CG ASP A 150 16.057 11.619 4.874 1.00 45.22 C ATOM 1578 OD1 ASP A 150 17.134 12.062 5.348 1.00 31.22 O ATOM 1579 OD2 ASP A 150 14.994 12.233 4.987 1.00 12.13 O ATOM 0 H ASP A 150 15.221 7.590 3.786 1.00 71.24 H new ATOM 0 HA ASP A 150 16.754 9.101 5.765 1.00 33.35 H new ATOM 0 HB2 ASP A 150 16.993 10.248 3.532 1.00 34.21 H new ATOM 0 HB3 ASP A 150 15.246 10.302 3.403 1.00 34.21 H new ATOM 1584 N LEU A 151 13.592 9.133 4.920 1.00 53.20 N ATOM 1585 CA LEU A 151 12.209 9.270 5.377 1.00 64.40 C ATOM 1586 C LEU A 151 11.705 7.926 5.927 1.00 42.24 C ATOM 1587 O LEU A 151 10.499 7.700 6.088 1.00 44.24 O ATOM 1588 CB LEU A 151 11.383 9.658 4.175 1.00 74.11 C ATOM 1589 CG LEU A 151 11.967 10.755 3.284 1.00 25.33 C ATOM 1590 CD1 LEU A 151 11.441 10.630 1.887 1.00 22.34 C ATOM 1591 CD2 LEU A 151 11.585 12.087 3.797 1.00 10.25 C ATOM 0 H LEU A 151 13.671 9.014 3.910 1.00 53.20 H new ATOM 0 HA LEU A 151 12.135 10.018 6.167 1.00 64.40 H new ATOM 0 HB2 LEU A 151 11.225 8.768 3.565 1.00 74.11 H new ATOM 0 HB3 LEU A 151 10.403 9.984 4.523 1.00 74.11 H new ATOM 0 HG LEU A 151 13.051 10.645 3.287 1.00 25.33 H new ATOM 0 HD11 LEU A 151 11.867 11.418 1.266 1.00 22.34 H new ATOM 0 HD12 LEU A 151 11.718 9.658 1.480 1.00 22.34 H new ATOM 0 HD13 LEU A 151 10.355 10.723 1.897 1.00 22.34 H new ATOM 0 HD21 LEU A 151 12.007 12.859 3.154 1.00 10.25 H new ATOM 0 HD22 LEU A 151 10.499 12.176 3.806 1.00 10.25 H new ATOM 0 HD23 LEU A 151 11.967 12.210 4.810 1.00 10.25 H new ATOM 1603 N THR A 152 12.657 7.066 6.194 1.00 43.00 N ATOM 1604 CA THR A 152 12.489 5.745 6.727 1.00 65.02 C ATOM 1605 C THR A 152 11.724 5.803 8.050 1.00 31.51 C ATOM 1606 O THR A 152 10.861 4.962 8.340 1.00 20.32 O ATOM 1607 CB THR A 152 13.902 5.210 7.005 1.00 33.13 C ATOM 1608 OG1 THR A 152 14.759 5.605 5.912 1.00 35.41 O ATOM 1609 CG2 THR A 152 13.923 3.693 7.138 1.00 13.02 C ATOM 0 H THR A 152 13.638 7.292 6.031 1.00 43.00 H new ATOM 0 HA THR A 152 11.935 5.115 6.031 1.00 65.02 H new ATOM 0 HB THR A 152 14.249 5.626 7.951 1.00 33.13 H new ATOM 0 HG1 THR A 152 14.679 4.956 5.182 1.00 35.41 H new ATOM 0 HG21 THR A 152 14.942 3.359 7.334 1.00 13.02 H new ATOM 0 HG22 THR A 152 13.277 3.391 7.963 1.00 13.02 H new ATOM 0 HG23 THR A 152 13.565 3.242 6.213 1.00 13.02 H new ATOM 1617 N PHE A 153 11.993 6.838 8.806 1.00 52.21 N ATOM 1618 CA PHE A 153 11.421 6.984 10.124 1.00 72.03 C ATOM 1619 C PHE A 153 10.498 8.186 10.155 1.00 13.32 C ATOM 1620 O PHE A 153 10.459 8.973 9.183 1.00 55.43 O ATOM 1621 CB PHE A 153 12.529 7.140 11.166 1.00 12.05 C ATOM 1622 CG PHE A 153 13.569 6.053 11.125 1.00 61.30 C ATOM 1623 CD1 PHE A 153 13.296 4.791 11.620 1.00 10.45 C ATOM 1624 CD2 PHE A 153 14.818 6.297 10.577 1.00 60.01 C ATOM 1625 CE1 PHE A 153 14.251 3.793 11.571 1.00 1.42 C ATOM 1626 CE2 PHE A 153 15.774 5.307 10.526 1.00 40.21 C ATOM 1627 CZ PHE A 153 15.493 4.052 11.024 1.00 75.54 C ATOM 0 H PHE A 153 12.611 7.600 8.528 1.00 52.21 H new ATOM 0 HA PHE A 153 10.845 6.090 10.361 1.00 72.03 H new ATOM 0 HB2 PHE A 153 13.019 8.102 11.018 1.00 12.05 H new ATOM 0 HB3 PHE A 153 12.079 7.160 12.159 1.00 12.05 H new ATOM 0 HD1 PHE A 153 12.327 4.583 12.049 1.00 10.45 H new ATOM 0 HD2 PHE A 153 15.045 7.277 10.184 1.00 60.01 H new ATOM 0 HE1 PHE A 153 14.026 2.811 11.960 1.00 1.42 H new ATOM 0 HE2 PHE A 153 16.743 5.513 10.096 1.00 40.21 H new ATOM 0 HZ PHE A 153 16.241 3.274 10.987 1.00 75.54 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -7.111 -4.616 2.589 1.00 3.31 ZN HETATM 1639 ZN ZN A 305 5.605 4.484 3.590 1.00 21.31 ZN