USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1190 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot -97:sc= -1.05! USER MOD Set 1.2: A 139 HIS : no HE2:sc= 0.258 K(o=-0.8,f=-2.3) USER MOD Set 2.1: A 128 THR OG1 : rot -74:sc= 1.35 USER MOD Set 2.2: A 131 SER OG : rot -160:sc= 1.39 USER MOD Set 3.1: A 29 HIS : no HD1:sc= -0.97 K(o=-0.16,f=0.71) USER MOD Set 3.2: A 32 TYR OH : rot 128:sc= 0.869 USER MOD Set 3.3: A 129 HIS : no HD1:sc= -1.38 K(o=-0.16,f=0.49) USER MOD Set 3.4: A 137 CYS SG : rot 129:sc= 1.32 USER MOD Set 4.1: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 141 MET CE :methyl 179:sc= -1.45 (180deg=-1.46) USER MOD Set 5.1: A 75 CYS SG : rot 46:sc= 0.334! USER MOD Set 5.2: A 83 ASN : amide:sc= 1.6 K(o=1.9,f=-11!) USER MOD Set 6.1: A 16 LYS NZ :NH3+ 142:sc= 1.37 (180deg=-0.0692) USER MOD Set 6.2: A 48 ASN : amide:sc= 0.223 K(o=1.6,f=-7.3!) USER MOD Set 7.1: A 21 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 7.2: A 85 GLN : amide:sc= 0.203 X(o=0.2,f=-0.21) USER MOD Single : A 4 GLN : amide:sc= 0.0492 X(o=0.049,f=-0.37) USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= -0.019 (180deg=-0.623) USER MOD Single : A 6 LYS NZ :NH3+ -110:sc= -0.818 (180deg=-2.88!) USER MOD Single : A 11 SER OG : rot 85:sc= 0.854 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -1.78 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 33:sc= 0.26 USER MOD Single : A 22 LYS NZ :NH3+ 138:sc= -1.13 (180deg=-3.38!) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1.12) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 30 ASN : amide:sc= -4.41! C(o=-4.4!,f=-7.5!) USER MOD Single : A 31 THR OG1 : rot 97:sc= 0.395 USER MOD Single : A 33 ASN : amide:sc= 0.0974 X(o=0.097,f=0) USER MOD Single : A 39 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.4!) USER MOD Single : A 42 SER OG : rot 63:sc= 1.15 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -179:sc= -1.22 (180deg=-1.22) USER MOD Single : A 46 SER OG : rot -21:sc= 0.297 USER MOD Single : A 47 ASN : amide:sc= -3.24! C(o=-3.2!,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc=-0.00457 K(o=-0.0046,f=-2.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.51 K(o=-0.51,f=-11!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.22) USER MOD Single : A 64 GLN : amide:sc= 0.164 K(o=0.16,f=-2.4!) USER MOD Single : A 71 ASN : amide:sc= 0.0611 K(o=0.061,f=-4.5!) USER MOD Single : A 79 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.072) USER MOD Single : A 81 SER OG : rot -3:sc= 0.934 USER MOD Single : A 86 SER OG : rot -158:sc= -4.62! USER MOD Single : A 88 SER OG : rot 162:sc= -2.5! USER MOD Single : A 92 CYS SG : rot 100:sc= -1.98! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -127:sc= 1.2 (180deg=0.236) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.02) USER MOD Single : A 107 ASN : amide:sc= 0.681 K(o=0.68,f=-0.75) USER MOD Single : A 114 GLN : amide:sc= -3.92! K(o=-3.9!,f=-0.28) USER MOD Single : A 116 MET CE :methyl -173:sc= -0.88 (180deg=-1.1) USER MOD Single : A 117 SER OG : rot 77:sc= 0.0697 USER MOD Single : A 118 MET CE :methyl -134:sc= -0.219 (180deg=-0.508) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0.542 K(o=0.54,f=-1.7) USER MOD Single : A 130 GLN : amide:sc= -3.24! K(o=-3.2!,f=-1) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 TYR OH : rot 130:sc= -0.406 USER MOD Single : A 152 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 153 LYS NZ :NH3+ -132:sc= 0.233 (180deg=-0.587!) USER MOD Single : A 155 LYS NZ :NH3+ 165:sc= -0.0759 (180deg=-0.36) USER MOD Single : A 156 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 3 10.034 9.084 -0.342 1.00 45.21 N ATOM 36 CA ILE A 3 8.735 8.993 -0.979 1.00 0.35 C ATOM 37 C ILE A 3 8.533 10.213 -1.892 1.00 64.41 C ATOM 38 O ILE A 3 8.513 11.365 -1.425 1.00 44.11 O ATOM 39 CB ILE A 3 7.528 8.883 0.033 1.00 32.13 C ATOM 40 CG1 ILE A 3 7.580 7.602 0.906 1.00 12.31 C ATOM 41 CG2 ILE A 3 6.204 8.924 -0.709 1.00 3.04 C ATOM 42 CD1 ILE A 3 8.707 7.535 1.909 1.00 63.12 C ATOM 0 HA ILE A 3 8.735 8.066 -1.552 1.00 0.35 H new ATOM 0 HB ILE A 3 7.615 9.741 0.700 1.00 32.13 H new ATOM 0 HG12 ILE A 3 6.636 7.512 1.443 1.00 12.31 H new ATOM 0 HG13 ILE A 3 7.655 6.738 0.246 1.00 12.31 H new ATOM 0 HG21 ILE A 3 5.384 8.847 0.005 1.00 3.04 H new ATOM 0 HG22 ILE A 3 6.122 9.864 -1.255 1.00 3.04 H new ATOM 0 HG23 ILE A 3 6.154 8.091 -1.410 1.00 3.04 H new ATOM 0 HD11 ILE A 3 8.646 6.598 2.463 1.00 63.12 H new ATOM 0 HD12 ILE A 3 9.662 7.586 1.387 1.00 63.12 H new ATOM 0 HD13 ILE A 3 8.627 8.372 2.602 1.00 63.12 H new ATOM 54 N GLN A 4 8.368 9.960 -3.161 1.00 63.24 N ATOM 55 CA GLN A 4 8.248 10.998 -4.151 1.00 45.31 C ATOM 56 C GLN A 4 6.815 11.466 -4.219 1.00 32.52 C ATOM 57 O GLN A 4 5.883 10.683 -4.015 1.00 4.34 O ATOM 58 CB GLN A 4 8.659 10.448 -5.502 1.00 21.24 C ATOM 59 CG GLN A 4 8.737 11.476 -6.628 1.00 22.35 C ATOM 60 CD GLN A 4 9.158 10.868 -7.960 1.00 22.23 C ATOM 61 OE1 GLN A 4 8.753 11.336 -9.015 1.00 21.24 O ATOM 62 NE2 GLN A 4 9.988 9.845 -7.923 1.00 61.44 N ATOM 0 H GLN A 4 8.312 9.016 -3.543 1.00 63.24 H new ATOM 0 HA GLN A 4 8.892 11.835 -3.882 1.00 45.31 H new ATOM 0 HB2 GLN A 4 9.633 9.970 -5.400 1.00 21.24 H new ATOM 0 HB3 GLN A 4 7.951 9.671 -5.790 1.00 21.24 H new ATOM 0 HG2 GLN A 4 7.764 11.954 -6.744 1.00 22.35 H new ATOM 0 HG3 GLN A 4 9.445 12.257 -6.351 1.00 22.35 H new ATOM 0 HE21 GLN A 4 10.307 9.479 -7.026 1.00 61.44 H new ATOM 0 HE22 GLN A 4 10.312 9.419 -8.792 1.00 61.44 H new ATOM 71 N LYS A 5 6.638 12.718 -4.484 1.00 5.34 N ATOM 72 CA LYS A 5 5.352 13.290 -4.613 1.00 45.04 C ATOM 73 C LYS A 5 5.047 13.661 -6.027 1.00 22.43 C ATOM 74 O LYS A 5 5.619 14.601 -6.581 1.00 42.41 O ATOM 75 CB LYS A 5 5.176 14.482 -3.699 1.00 13.54 C ATOM 76 CG LYS A 5 5.147 14.132 -2.231 1.00 14.42 C ATOM 77 CD LYS A 5 4.032 13.149 -1.948 1.00 12.31 C ATOM 78 CE LYS A 5 3.904 12.865 -0.482 1.00 71.34 C ATOM 79 NZ LYS A 5 5.139 12.289 0.103 1.00 50.03 N ATOM 0 H LYS A 5 7.403 13.380 -4.618 1.00 5.34 H new ATOM 0 HA LYS A 5 4.638 12.525 -4.309 1.00 45.04 H new ATOM 0 HB2 LYS A 5 5.988 15.187 -3.878 1.00 13.54 H new ATOM 0 HB3 LYS A 5 4.248 14.992 -3.959 1.00 13.54 H new ATOM 0 HG2 LYS A 5 6.104 13.703 -1.933 1.00 14.42 H new ATOM 0 HG3 LYS A 5 5.004 15.035 -1.637 1.00 14.42 H new ATOM 0 HD2 LYS A 5 3.090 13.548 -2.325 1.00 12.31 H new ATOM 0 HD3 LYS A 5 4.222 12.219 -2.484 1.00 12.31 H new ATOM 0 HE2 LYS A 5 3.656 13.788 0.042 1.00 71.34 H new ATOM 0 HE3 LYS A 5 3.076 12.175 -0.321 1.00 71.34 H new ATOM 0 HZ1 LYS A 5 4.888 11.520 0.756 1.00 50.03 H new ATOM 0 HZ2 LYS A 5 5.741 11.915 -0.658 1.00 50.03 H new ATOM 0 HZ3 LYS A 5 5.655 13.028 0.621 1.00 50.03 H new ATOM 93 N LYS A 6 4.171 12.908 -6.604 1.00 1.02 N ATOM 94 CA LYS A 6 3.658 13.160 -7.936 1.00 64.22 C ATOM 95 C LYS A 6 2.234 12.673 -7.955 1.00 43.50 C ATOM 96 O LYS A 6 1.782 12.026 -8.904 1.00 62.40 O ATOM 97 CB LYS A 6 4.519 12.483 -9.034 1.00 62.14 C ATOM 98 CG LYS A 6 4.642 10.984 -8.926 1.00 30.15 C ATOM 99 CD LYS A 6 5.498 10.350 -10.045 1.00 52.13 C ATOM 100 CE LYS A 6 4.933 10.548 -11.461 1.00 20.54 C ATOM 101 NZ LYS A 6 5.155 11.905 -12.030 1.00 24.44 N ATOM 0 H LYS A 6 3.774 12.078 -6.164 1.00 1.02 H new ATOM 0 HA LYS A 6 3.700 14.225 -8.162 1.00 64.22 H new ATOM 0 HB2 LYS A 6 4.093 12.727 -10.007 1.00 62.14 H new ATOM 0 HB3 LYS A 6 5.519 12.916 -9.006 1.00 62.14 H new ATOM 0 HG2 LYS A 6 5.079 10.733 -7.960 1.00 30.15 H new ATOM 0 HG3 LYS A 6 3.645 10.544 -8.949 1.00 30.15 H new ATOM 0 HD2 LYS A 6 6.501 10.774 -10.004 1.00 52.13 H new ATOM 0 HD3 LYS A 6 5.595 9.282 -9.851 1.00 52.13 H new ATOM 0 HE2 LYS A 6 5.385 9.811 -12.125 1.00 20.54 H new ATOM 0 HE3 LYS A 6 3.862 10.346 -11.443 1.00 20.54 H new ATOM 0 HZ1 LYS A 6 4.248 12.411 -12.085 1.00 24.44 H new ATOM 0 HZ2 LYS A 6 5.810 12.434 -11.420 1.00 24.44 H new ATOM 0 HZ3 LYS A 6 5.562 11.819 -12.983 1.00 24.44 H new ATOM 115 N LEU A 7 1.538 13.018 -6.861 1.00 63.41 N ATOM 116 CA LEU A 7 0.151 12.671 -6.609 1.00 0.45 C ATOM 117 C LEU A 7 -0.753 12.959 -7.818 1.00 23.54 C ATOM 118 O LEU A 7 -0.394 13.709 -8.734 1.00 23.10 O ATOM 119 CB LEU A 7 -0.387 13.421 -5.361 1.00 51.02 C ATOM 120 CG LEU A 7 0.373 13.245 -4.020 1.00 43.43 C ATOM 121 CD1 LEU A 7 -0.318 14.024 -2.924 1.00 12.01 C ATOM 122 CD2 LEU A 7 0.492 11.786 -3.612 1.00 73.23 C ATOM 0 H LEU A 7 1.950 13.566 -6.106 1.00 63.41 H new ATOM 0 HA LEU A 7 0.127 11.597 -6.424 1.00 0.45 H new ATOM 0 HB2 LEU A 7 -0.409 14.485 -5.595 1.00 51.02 H new ATOM 0 HB3 LEU A 7 -1.419 13.108 -5.203 1.00 51.02 H new ATOM 0 HG LEU A 7 1.382 13.630 -4.170 1.00 43.43 H new ATOM 0 HD11 LEU A 7 0.224 13.893 -1.987 1.00 12.01 H new ATOM 0 HD12 LEU A 7 -0.338 15.082 -3.187 1.00 12.01 H new ATOM 0 HD13 LEU A 7 -1.339 13.660 -2.807 1.00 12.01 H new ATOM 0 HD21 LEU A 7 1.032 11.715 -2.668 1.00 73.23 H new ATOM 0 HD22 LEU A 7 -0.504 11.359 -3.494 1.00 73.23 H new ATOM 0 HD23 LEU A 7 1.034 11.236 -4.381 1.00 73.23 H new ATOM 134 N VAL A 8 -1.933 12.423 -7.764 1.00 31.01 N ATOM 135 CA VAL A 8 -2.865 12.479 -8.855 1.00 61.14 C ATOM 136 C VAL A 8 -3.394 13.911 -9.058 1.00 74.02 C ATOM 137 O VAL A 8 -3.412 14.727 -8.123 1.00 52.50 O ATOM 138 CB VAL A 8 -4.046 11.500 -8.579 1.00 24.12 C ATOM 139 CG1 VAL A 8 -4.833 11.909 -7.353 1.00 0.25 C ATOM 140 CG2 VAL A 8 -4.949 11.358 -9.771 1.00 43.33 C ATOM 0 H VAL A 8 -2.285 11.924 -6.947 1.00 31.01 H new ATOM 0 HA VAL A 8 -2.352 12.181 -9.769 1.00 61.14 H new ATOM 0 HB VAL A 8 -3.604 10.523 -8.384 1.00 24.12 H new ATOM 0 HG11 VAL A 8 -5.648 11.204 -7.192 1.00 0.25 H new ATOM 0 HG12 VAL A 8 -4.177 11.910 -6.483 1.00 0.25 H new ATOM 0 HG13 VAL A 8 -5.242 12.909 -7.500 1.00 0.25 H new ATOM 0 HG21 VAL A 8 -5.758 10.667 -9.534 1.00 43.33 H new ATOM 0 HG22 VAL A 8 -5.367 12.331 -10.029 1.00 43.33 H new ATOM 0 HG23 VAL A 8 -4.378 10.973 -10.616 1.00 43.33 H new ATOM 150 N ASP A 9 -3.771 14.208 -10.290 1.00 0.12 N ATOM 151 CA ASP A 9 -4.247 15.511 -10.677 1.00 44.30 C ATOM 152 C ASP A 9 -5.552 15.827 -9.984 1.00 71.31 C ATOM 153 O ASP A 9 -6.417 14.949 -9.852 1.00 65.44 O ATOM 154 CB ASP A 9 -4.440 15.576 -12.195 1.00 1.20 C ATOM 155 CG ASP A 9 -4.953 16.916 -12.666 1.00 61.44 C ATOM 156 OD1 ASP A 9 -4.142 17.840 -12.855 1.00 62.11 O ATOM 157 OD2 ASP A 9 -6.182 17.061 -12.849 1.00 14.21 O ATOM 0 H ASP A 9 -3.752 13.535 -11.056 1.00 0.12 H new ATOM 0 HA ASP A 9 -3.502 16.249 -10.379 1.00 44.30 H new ATOM 0 HB2 ASP A 9 -3.491 15.363 -12.686 1.00 1.20 H new ATOM 0 HB3 ASP A 9 -5.139 14.797 -12.501 1.00 1.20 H new ATOM 162 N PRO A 10 -5.711 17.075 -9.517 1.00 72.52 N ATOM 163 CA PRO A 10 -6.917 17.549 -8.838 1.00 41.24 C ATOM 164 C PRO A 10 -8.246 17.242 -9.549 1.00 63.12 C ATOM 165 O PRO A 10 -9.291 17.240 -8.906 1.00 31.12 O ATOM 166 CB PRO A 10 -6.712 19.052 -8.731 1.00 10.22 C ATOM 167 CG PRO A 10 -5.244 19.231 -8.723 1.00 0.33 C ATOM 168 CD PRO A 10 -4.677 18.132 -9.565 1.00 0.13 C ATOM 0 HA PRO A 10 -7.023 17.031 -7.885 1.00 41.24 H new ATOM 0 HB2 PRO A 10 -7.170 19.575 -9.571 1.00 10.22 H new ATOM 0 HB3 PRO A 10 -7.164 19.450 -7.823 1.00 10.22 H new ATOM 0 HG2 PRO A 10 -4.970 20.207 -9.123 1.00 0.33 H new ATOM 0 HG3 PRO A 10 -4.853 19.182 -7.707 1.00 0.33 H new ATOM 0 HD2 PRO A 10 -4.494 18.466 -10.586 1.00 0.13 H new ATOM 0 HD3 PRO A 10 -3.725 17.777 -9.170 1.00 0.13 H new ATOM 176 N SER A 11 -8.219 16.954 -10.840 1.00 62.44 N ATOM 177 CA SER A 11 -9.468 16.687 -11.554 1.00 10.31 C ATOM 178 C SER A 11 -9.944 15.279 -11.227 1.00 12.44 C ATOM 179 O SER A 11 -11.108 14.932 -11.376 1.00 35.44 O ATOM 180 CB SER A 11 -9.256 16.825 -13.056 1.00 64.11 C ATOM 181 OG SER A 11 -8.701 18.099 -13.375 1.00 64.21 O ATOM 0 H SER A 11 -7.373 16.899 -11.407 1.00 62.44 H new ATOM 0 HA SER A 11 -10.221 17.410 -11.240 1.00 10.31 H new ATOM 0 HB2 SER A 11 -8.592 16.036 -13.408 1.00 64.11 H new ATOM 0 HB3 SER A 11 -10.206 16.697 -13.575 1.00 64.11 H new ATOM 0 HG SER A 11 -7.727 18.065 -13.276 1.00 64.21 H new ATOM 187 N LYS A 12 -9.020 14.489 -10.768 1.00 2.05 N ATOM 188 CA LYS A 12 -9.244 13.113 -10.453 1.00 21.54 C ATOM 189 C LYS A 12 -9.390 12.905 -8.988 1.00 14.44 C ATOM 190 O LYS A 12 -9.602 11.758 -8.532 1.00 11.13 O ATOM 191 CB LYS A 12 -8.119 12.344 -10.935 1.00 4.01 C ATOM 192 CG LYS A 12 -7.966 12.378 -12.406 1.00 14.45 C ATOM 193 CD LYS A 12 -6.636 11.891 -12.702 1.00 20.51 C ATOM 194 CE LYS A 12 -6.409 11.629 -14.186 1.00 35.11 C ATOM 195 NZ LYS A 12 -6.588 12.830 -15.029 1.00 15.24 N ATOM 0 H LYS A 12 -8.062 14.795 -10.598 1.00 2.05 H new ATOM 0 HA LYS A 12 -10.170 12.791 -10.930 1.00 21.54 H new ATOM 0 HB2 LYS A 12 -7.207 12.722 -10.474 1.00 4.01 H new ATOM 0 HB3 LYS A 12 -8.233 11.309 -10.614 1.00 4.01 H new ATOM 0 HG2 LYS A 12 -8.721 11.756 -12.887 1.00 14.45 H new ATOM 0 HG3 LYS A 12 -8.099 13.391 -12.785 1.00 14.45 H new ATOM 0 HD2 LYS A 12 -5.904 12.618 -12.352 1.00 20.51 H new ATOM 0 HD3 LYS A 12 -6.461 10.970 -12.146 1.00 20.51 H new ATOM 0 HE2 LYS A 12 -5.400 11.241 -14.329 1.00 35.11 H new ATOM 0 HE3 LYS A 12 -7.099 10.854 -14.520 1.00 35.11 H new ATOM 0 HZ1 LYS A 12 -6.419 12.583 -16.025 1.00 15.24 H new ATOM 0 HZ2 LYS A 12 -7.558 13.189 -14.921 1.00 15.24 H new ATOM 0 HZ3 LYS A 12 -5.913 13.564 -14.735 1.00 15.24 H new ATOM 209 N TYR A 13 -9.275 13.988 -8.227 1.00 41.30 N ATOM 210 CA TYR A 13 -9.491 13.966 -6.783 1.00 3.41 C ATOM 211 C TYR A 13 -10.925 13.602 -6.417 1.00 34.14 C ATOM 212 O TYR A 13 -11.337 13.775 -5.289 1.00 62.41 O ATOM 213 CB TYR A 13 -9.115 15.293 -6.113 1.00 54.15 C ATOM 214 CG TYR A 13 -7.636 15.558 -5.888 1.00 15.31 C ATOM 215 CD1 TYR A 13 -6.715 14.525 -5.791 1.00 11.14 C ATOM 216 CD2 TYR A 13 -7.174 16.855 -5.724 1.00 44.43 C ATOM 217 CE1 TYR A 13 -5.382 14.781 -5.549 1.00 33.22 C ATOM 218 CE2 TYR A 13 -5.841 17.116 -5.486 1.00 33.41 C ATOM 219 CZ TYR A 13 -4.951 16.076 -5.401 1.00 41.21 C ATOM 220 OH TYR A 13 -3.621 16.332 -5.159 1.00 12.22 O ATOM 0 H TYR A 13 -9.029 14.908 -8.594 1.00 41.30 H new ATOM 0 HA TYR A 13 -8.827 13.188 -6.405 1.00 3.41 H new ATOM 0 HB2 TYR A 13 -9.516 16.105 -6.720 1.00 54.15 H new ATOM 0 HB3 TYR A 13 -9.618 15.339 -5.147 1.00 54.15 H new ATOM 0 HD1 TYR A 13 -7.047 13.504 -5.907 1.00 11.14 H new ATOM 0 HD2 TYR A 13 -7.872 17.677 -5.784 1.00 44.43 H new ATOM 0 HE1 TYR A 13 -4.679 13.965 -5.476 1.00 33.22 H new ATOM 0 HE2 TYR A 13 -5.500 18.134 -5.367 1.00 33.41 H new ATOM 0 HH TYR A 13 -3.483 17.299 -5.081 1.00 12.22 H new ATOM 230 N GLY A 14 -11.670 13.108 -7.360 1.00 21.01 N ATOM 231 CA GLY A 14 -12.977 12.611 -7.047 1.00 3.23 C ATOM 232 C GLY A 14 -13.340 11.454 -7.898 1.00 23.54 C ATOM 233 O GLY A 14 -14.505 11.099 -8.035 1.00 43.11 O ATOM 0 H GLY A 14 -11.400 13.038 -8.341 1.00 21.01 H new ATOM 0 HA2 GLY A 14 -13.013 12.317 -5.998 1.00 3.23 H new ATOM 0 HA3 GLY A 14 -13.711 13.406 -7.181 1.00 3.23 H new ATOM 237 N THR A 15 -12.338 10.863 -8.462 1.00 1.00 N ATOM 238 CA THR A 15 -12.483 9.669 -9.221 1.00 30.30 C ATOM 239 C THR A 15 -11.776 8.565 -8.449 1.00 32.15 C ATOM 240 O THR A 15 -12.284 7.462 -8.299 1.00 3.33 O ATOM 241 CB THR A 15 -11.837 9.829 -10.613 1.00 14.15 C ATOM 242 OG1 THR A 15 -12.388 10.985 -11.258 1.00 45.22 O ATOM 243 CG2 THR A 15 -12.089 8.599 -11.479 1.00 41.21 C ATOM 0 H THR A 15 -11.379 11.205 -8.406 1.00 1.00 H new ATOM 0 HA THR A 15 -13.537 9.436 -9.370 1.00 30.30 H new ATOM 0 HB THR A 15 -10.761 9.945 -10.485 1.00 14.15 H new ATOM 0 HG1 THR A 15 -11.979 11.092 -12.142 1.00 45.22 H new ATOM 0 HG21 THR A 15 -11.623 8.739 -12.454 1.00 41.21 H new ATOM 0 HG22 THR A 15 -11.662 7.720 -10.996 1.00 41.21 H new ATOM 0 HG23 THR A 15 -13.162 8.458 -11.607 1.00 41.21 H new ATOM 251 N LYS A 16 -10.605 8.901 -7.920 1.00 34.01 N ATOM 252 CA LYS A 16 -9.827 7.963 -7.142 1.00 0.54 C ATOM 253 C LYS A 16 -9.987 8.229 -5.664 1.00 70.23 C ATOM 254 O LYS A 16 -10.062 7.301 -4.866 1.00 30.23 O ATOM 255 CB LYS A 16 -8.357 7.993 -7.558 1.00 52.44 C ATOM 256 CG LYS A 16 -8.155 7.607 -8.987 1.00 21.12 C ATOM 257 CD LYS A 16 -6.705 7.369 -9.268 1.00 1.34 C ATOM 258 CE LYS A 16 -6.526 6.836 -10.650 1.00 25.03 C ATOM 259 NZ LYS A 16 -6.854 7.832 -11.694 1.00 31.13 N ATOM 0 H LYS A 16 -10.178 9.822 -8.020 1.00 34.01 H new ATOM 0 HA LYS A 16 -10.205 6.960 -7.342 1.00 0.54 H new ATOM 0 HB2 LYS A 16 -7.958 8.994 -7.396 1.00 52.44 H new ATOM 0 HB3 LYS A 16 -7.789 7.317 -6.919 1.00 52.44 H new ATOM 0 HG2 LYS A 16 -8.727 6.706 -9.210 1.00 21.12 H new ATOM 0 HG3 LYS A 16 -8.533 8.395 -9.639 1.00 21.12 H new ATOM 0 HD2 LYS A 16 -6.148 8.299 -9.155 1.00 1.34 H new ATOM 0 HD3 LYS A 16 -6.298 6.664 -8.543 1.00 1.34 H new ATOM 0 HE2 LYS A 16 -5.494 6.508 -10.778 1.00 25.03 H new ATOM 0 HE3 LYS A 16 -7.158 5.957 -10.781 1.00 25.03 H new ATOM 0 HZ1 LYS A 16 -6.186 7.738 -12.485 1.00 31.13 H new ATOM 0 HZ2 LYS A 16 -7.822 7.669 -12.037 1.00 31.13 H new ATOM 0 HZ3 LYS A 16 -6.785 8.790 -11.294 1.00 31.13 H new ATOM 273 N CYS A 17 -10.076 9.493 -5.310 1.00 62.00 N ATOM 274 CA CYS A 17 -10.244 9.879 -3.925 1.00 10.33 C ATOM 275 C CYS A 17 -11.367 10.921 -3.736 1.00 1.22 C ATOM 276 O CYS A 17 -11.119 12.019 -3.243 1.00 4.32 O ATOM 277 CB CYS A 17 -8.919 10.399 -3.390 1.00 74.41 C ATOM 278 SG CYS A 17 -8.143 11.669 -4.425 1.00 61.42 S ATOM 0 H CYS A 17 -10.035 10.274 -5.965 1.00 62.00 H new ATOM 0 HA CYS A 17 -10.549 8.999 -3.359 1.00 10.33 H new ATOM 0 HB2 CYS A 17 -9.079 10.808 -2.392 1.00 74.41 H new ATOM 0 HB3 CYS A 17 -8.229 9.562 -3.285 1.00 74.41 H new ATOM 0 HG CYS A 17 -7.024 12.047 -3.882 1.00 61.42 H new ATOM 284 N PRO A 18 -12.639 10.575 -4.107 1.00 34.44 N ATOM 285 CA PRO A 18 -13.778 11.508 -4.006 1.00 14.42 C ATOM 286 C PRO A 18 -14.209 11.720 -2.584 1.00 1.21 C ATOM 287 O PRO A 18 -14.961 12.645 -2.268 1.00 23.40 O ATOM 288 CB PRO A 18 -14.906 10.826 -4.787 1.00 51.24 C ATOM 289 CG PRO A 18 -14.476 9.409 -5.034 1.00 25.42 C ATOM 290 CD PRO A 18 -13.045 9.256 -4.608 1.00 64.51 C ATOM 0 HA PRO A 18 -13.514 12.492 -4.394 1.00 14.42 H new ATOM 0 HB2 PRO A 18 -15.837 10.853 -4.221 1.00 51.24 H new ATOM 0 HB3 PRO A 18 -15.090 11.343 -5.729 1.00 51.24 H new ATOM 0 HG2 PRO A 18 -15.111 8.720 -4.478 1.00 25.42 H new ATOM 0 HG3 PRO A 18 -14.584 9.160 -6.090 1.00 25.42 H new ATOM 0 HD2 PRO A 18 -12.946 8.495 -3.834 1.00 64.51 H new ATOM 0 HD3 PRO A 18 -12.418 8.944 -5.444 1.00 64.51 H new ATOM 298 N TYR A 19 -13.751 10.869 -1.751 1.00 43.10 N ATOM 299 CA TYR A 19 -14.093 10.920 -0.365 1.00 61.21 C ATOM 300 C TYR A 19 -12.879 11.260 0.465 1.00 73.02 C ATOM 301 O TYR A 19 -11.738 10.983 0.083 1.00 3.32 O ATOM 302 CB TYR A 19 -14.724 9.606 0.096 1.00 42.42 C ATOM 303 CG TYR A 19 -15.944 9.220 -0.697 1.00 33.14 C ATOM 304 CD1 TYR A 19 -17.200 9.705 -0.371 1.00 52.15 C ATOM 305 CD2 TYR A 19 -15.833 8.368 -1.781 1.00 72.40 C ATOM 306 CE1 TYR A 19 -18.312 9.346 -1.107 1.00 24.22 C ATOM 307 CE2 TYR A 19 -16.929 8.009 -2.518 1.00 30.34 C ATOM 308 CZ TYR A 19 -18.167 8.497 -2.183 1.00 3.12 C ATOM 309 OH TYR A 19 -19.276 8.120 -2.921 1.00 65.32 O ATOM 0 H TYR A 19 -13.122 10.106 -2.003 1.00 43.10 H new ATOM 0 HA TYR A 19 -14.834 11.707 -0.225 1.00 61.21 H new ATOM 0 HB2 TYR A 19 -13.984 8.810 0.021 1.00 42.42 H new ATOM 0 HB3 TYR A 19 -14.995 9.691 1.148 1.00 42.42 H new ATOM 0 HD1 TYR A 19 -17.311 10.373 0.470 1.00 52.15 H new ATOM 0 HD2 TYR A 19 -14.863 7.978 -2.051 1.00 72.40 H new ATOM 0 HE1 TYR A 19 -19.287 9.727 -0.842 1.00 24.22 H new ATOM 0 HE2 TYR A 19 -16.820 7.343 -3.361 1.00 30.34 H new ATOM 0 HH TYR A 19 -18.999 7.520 -3.645 1.00 65.32 H new ATOM 319 N THR A 20 -13.117 11.853 1.576 1.00 52.31 N ATOM 320 CA THR A 20 -12.067 12.258 2.455 1.00 53.11 C ATOM 321 C THR A 20 -12.174 11.497 3.740 1.00 42.14 C ATOM 322 O THR A 20 -13.219 11.531 4.401 1.00 51.44 O ATOM 323 CB THR A 20 -12.116 13.771 2.734 1.00 1.32 C ATOM 324 OG1 THR A 20 -13.411 14.132 3.264 1.00 34.40 O ATOM 325 CG2 THR A 20 -11.847 14.572 1.464 1.00 20.41 C ATOM 0 H THR A 20 -14.054 12.077 1.911 1.00 52.31 H new ATOM 0 HA THR A 20 -11.114 12.041 1.973 1.00 53.11 H new ATOM 0 HB THR A 20 -11.341 14.005 3.463 1.00 1.32 H new ATOM 0 HG1 THR A 20 -13.761 13.393 3.804 1.00 34.40 H new ATOM 0 HG21 THR A 20 -11.888 15.637 1.690 1.00 20.41 H new ATOM 0 HG22 THR A 20 -10.859 14.321 1.078 1.00 20.41 H new ATOM 0 HG23 THR A 20 -12.602 14.331 0.715 1.00 20.41 H new ATOM 333 N MET A 21 -11.133 10.813 4.093 1.00 4.10 N ATOM 334 CA MET A 21 -11.146 9.990 5.273 1.00 22.31 C ATOM 335 C MET A 21 -9.735 9.712 5.706 1.00 42.22 C ATOM 336 O MET A 21 -8.834 9.676 4.880 1.00 22.32 O ATOM 337 CB MET A 21 -11.905 8.680 5.009 1.00 14.11 C ATOM 338 CG MET A 21 -12.071 7.795 6.233 1.00 63.45 C ATOM 339 SD MET A 21 -12.936 8.637 7.569 1.00 71.43 S ATOM 340 CE MET A 21 -12.989 7.354 8.812 1.00 1.33 C ATOM 0 H MET A 21 -10.252 10.805 3.579 1.00 4.10 H new ATOM 0 HA MET A 21 -11.663 10.519 6.073 1.00 22.31 H new ATOM 0 HB2 MET A 21 -12.891 8.919 4.612 1.00 14.11 H new ATOM 0 HB3 MET A 21 -11.378 8.118 4.238 1.00 14.11 H new ATOM 0 HG2 MET A 21 -12.621 6.895 5.957 1.00 63.45 H new ATOM 0 HG3 MET A 21 -11.090 7.474 6.583 1.00 63.45 H new ATOM 0 HE1 MET A 21 -13.646 7.662 9.626 1.00 1.33 H new ATOM 0 HE2 MET A 21 -13.368 6.433 8.369 1.00 1.33 H new ATOM 0 HE3 MET A 21 -11.985 7.183 9.201 1.00 1.33 H new ATOM 350 N LYS A 22 -9.545 9.527 6.983 1.00 32.40 N ATOM 351 CA LYS A 22 -8.241 9.265 7.519 1.00 53.20 C ATOM 352 C LYS A 22 -7.988 7.758 7.533 1.00 15.32 C ATOM 353 O LYS A 22 -8.873 6.971 7.880 1.00 14.12 O ATOM 354 CB LYS A 22 -8.084 9.896 8.917 1.00 32.21 C ATOM 355 CG LYS A 22 -9.084 9.430 9.965 1.00 61.52 C ATOM 356 CD LYS A 22 -8.952 10.177 11.318 1.00 14.24 C ATOM 357 CE LYS A 22 -7.633 9.909 12.094 1.00 3.30 C ATOM 358 NZ LYS A 22 -6.409 10.447 11.444 1.00 21.02 N ATOM 0 H LYS A 22 -10.290 9.554 7.680 1.00 32.40 H new ATOM 0 HA LYS A 22 -7.487 9.728 6.882 1.00 53.20 H new ATOM 0 HB2 LYS A 22 -7.079 9.684 9.281 1.00 32.21 H new ATOM 0 HB3 LYS A 22 -8.166 10.978 8.819 1.00 32.21 H new ATOM 0 HG2 LYS A 22 -10.094 9.568 9.579 1.00 61.52 H new ATOM 0 HG3 LYS A 22 -8.951 8.361 10.134 1.00 61.52 H new ATOM 0 HD2 LYS A 22 -9.035 11.248 11.133 1.00 14.24 H new ATOM 0 HD3 LYS A 22 -9.792 9.897 11.953 1.00 14.24 H new ATOM 0 HE2 LYS A 22 -7.719 10.343 13.090 1.00 3.30 H new ATOM 0 HE3 LYS A 22 -7.516 8.833 12.224 1.00 3.30 H new ATOM 0 HZ1 LYS A 22 -5.794 10.878 12.164 1.00 21.02 H new ATOM 0 HZ2 LYS A 22 -5.899 9.674 10.971 1.00 21.02 H new ATOM 0 HZ3 LYS A 22 -6.676 11.166 10.742 1.00 21.02 H new ATOM 372 N PRO A 23 -6.803 7.337 7.106 1.00 24.31 N ATOM 373 CA PRO A 23 -6.460 5.925 6.968 1.00 13.04 C ATOM 374 C PRO A 23 -6.416 5.192 8.303 1.00 14.53 C ATOM 375 O PRO A 23 -5.723 5.604 9.234 1.00 74.32 O ATOM 376 CB PRO A 23 -5.080 5.949 6.337 1.00 55.43 C ATOM 377 CG PRO A 23 -4.516 7.274 6.683 1.00 62.12 C ATOM 378 CD PRO A 23 -5.676 8.214 6.738 1.00 52.32 C ATOM 0 HA PRO A 23 -7.206 5.392 6.379 1.00 13.04 H new ATOM 0 HB2 PRO A 23 -4.457 5.143 6.724 1.00 55.43 H new ATOM 0 HB3 PRO A 23 -5.139 5.816 5.257 1.00 55.43 H new ATOM 0 HG2 PRO A 23 -3.997 7.239 7.641 1.00 62.12 H new ATOM 0 HG3 PRO A 23 -3.789 7.595 5.937 1.00 62.12 H new ATOM 0 HD2 PRO A 23 -5.521 9.002 7.475 1.00 52.32 H new ATOM 0 HD3 PRO A 23 -5.843 8.704 5.779 1.00 52.32 H new ATOM 386 N LYS A 24 -7.172 4.123 8.401 1.00 0.23 N ATOM 387 CA LYS A 24 -7.204 3.343 9.616 1.00 4.31 C ATOM 388 C LYS A 24 -6.593 1.970 9.387 1.00 24.22 C ATOM 389 O LYS A 24 -6.220 1.279 10.325 1.00 50.15 O ATOM 390 CB LYS A 24 -8.642 3.185 10.074 1.00 62.11 C ATOM 391 CG LYS A 24 -8.878 2.447 11.396 1.00 3.52 C ATOM 392 CD LYS A 24 -8.566 3.278 12.667 1.00 70.43 C ATOM 393 CE LYS A 24 -7.084 3.595 12.866 1.00 65.13 C ATOM 394 NZ LYS A 24 -6.835 4.280 14.149 1.00 10.01 N ATOM 0 H LYS A 24 -7.773 3.774 7.654 1.00 0.23 H new ATOM 0 HA LYS A 24 -6.624 3.860 10.380 1.00 4.31 H new ATOM 0 HB2 LYS A 24 -9.081 4.179 10.159 1.00 62.11 H new ATOM 0 HB3 LYS A 24 -9.190 2.660 9.292 1.00 62.11 H new ATOM 0 HG2 LYS A 24 -9.919 2.125 11.436 1.00 3.52 H new ATOM 0 HG3 LYS A 24 -8.265 1.546 11.408 1.00 3.52 H new ATOM 0 HD2 LYS A 24 -9.122 4.214 12.620 1.00 70.43 H new ATOM 0 HD3 LYS A 24 -8.929 2.735 13.540 1.00 70.43 H new ATOM 0 HE2 LYS A 24 -6.507 2.671 12.830 1.00 65.13 H new ATOM 0 HE3 LYS A 24 -6.734 4.222 12.046 1.00 65.13 H new ATOM 0 HZ1 LYS A 24 -5.810 4.386 14.293 1.00 10.01 H new ATOM 0 HZ2 LYS A 24 -7.282 5.219 14.134 1.00 10.01 H new ATOM 0 HZ3 LYS A 24 -7.237 3.718 14.926 1.00 10.01 H new ATOM 408 N TYR A 25 -6.496 1.581 8.151 1.00 31.44 N ATOM 409 CA TYR A 25 -5.984 0.277 7.822 1.00 51.12 C ATOM 410 C TYR A 25 -4.919 0.444 6.782 1.00 13.00 C ATOM 411 O TYR A 25 -4.699 1.551 6.306 1.00 45.52 O ATOM 412 CB TYR A 25 -7.077 -0.625 7.238 1.00 10.13 C ATOM 413 CG TYR A 25 -8.349 -0.761 8.036 1.00 33.20 C ATOM 414 CD1 TYR A 25 -8.489 -1.754 8.989 1.00 5.02 C ATOM 415 CD2 TYR A 25 -9.423 0.102 7.819 1.00 62.54 C ATOM 416 CE1 TYR A 25 -9.652 -1.893 9.710 1.00 54.01 C ATOM 417 CE2 TYR A 25 -10.594 -0.028 8.537 1.00 2.44 C ATOM 418 CZ TYR A 25 -10.704 -1.027 9.482 1.00 42.42 C ATOM 419 OH TYR A 25 -11.871 -1.157 10.201 1.00 10.12 O ATOM 0 H TYR A 25 -6.765 2.149 7.347 1.00 31.44 H new ATOM 0 HA TYR A 25 -5.599 -0.184 8.732 1.00 51.12 H new ATOM 0 HB2 TYR A 25 -7.336 -0.247 6.249 1.00 10.13 H new ATOM 0 HB3 TYR A 25 -6.656 -1.621 7.098 1.00 10.13 H new ATOM 0 HD1 TYR A 25 -7.669 -2.433 9.170 1.00 5.02 H new ATOM 0 HD2 TYR A 25 -9.337 0.883 7.078 1.00 62.54 H new ATOM 0 HE1 TYR A 25 -9.742 -2.674 10.450 1.00 54.01 H new ATOM 0 HE2 TYR A 25 -11.418 0.647 8.361 1.00 2.44 H new ATOM 0 HH TYR A 25 -12.508 -0.468 9.918 1.00 10.12 H new ATOM 429 N ILE A 26 -4.279 -0.627 6.418 1.00 25.31 N ATOM 430 CA ILE A 26 -3.290 -0.609 5.370 1.00 32.45 C ATOM 431 C ILE A 26 -3.474 -1.847 4.521 1.00 23.30 C ATOM 432 O ILE A 26 -3.620 -2.935 5.037 1.00 50.13 O ATOM 433 CB ILE A 26 -1.829 -0.528 5.923 1.00 33.21 C ATOM 434 CG1 ILE A 26 -1.649 0.762 6.747 1.00 0.22 C ATOM 435 CG2 ILE A 26 -0.806 -0.589 4.781 1.00 5.53 C ATOM 436 CD1 ILE A 26 -0.282 0.957 7.345 1.00 3.44 C ATOM 0 H ILE A 26 -4.426 -1.545 6.839 1.00 25.31 H new ATOM 0 HA ILE A 26 -3.435 0.290 4.771 1.00 32.45 H new ATOM 0 HB ILE A 26 -1.656 -1.387 6.572 1.00 33.21 H new ATOM 0 HG12 ILE A 26 -1.873 1.616 6.108 1.00 0.22 H new ATOM 0 HG13 ILE A 26 -2.384 0.765 7.552 1.00 0.22 H new ATOM 0 HG21 ILE A 26 0.202 -0.531 5.192 1.00 5.53 H new ATOM 0 HG22 ILE A 26 -0.923 -1.527 4.238 1.00 5.53 H new ATOM 0 HG23 ILE A 26 -0.969 0.247 4.101 1.00 5.53 H new ATOM 0 HD11 ILE A 26 -0.260 1.892 7.904 1.00 3.44 H new ATOM 0 HD12 ILE A 26 -0.057 0.128 8.016 1.00 3.44 H new ATOM 0 HD13 ILE A 26 0.462 0.992 6.549 1.00 3.44 H new ATOM 448 N THR A 27 -3.514 -1.669 3.241 1.00 70.43 N ATOM 449 CA THR A 27 -3.700 -2.760 2.338 1.00 21.34 C ATOM 450 C THR A 27 -2.470 -2.899 1.457 1.00 1.25 C ATOM 451 O THR A 27 -2.120 -1.975 0.711 1.00 35.45 O ATOM 452 CB THR A 27 -4.939 -2.523 1.467 1.00 30.41 C ATOM 453 OG1 THR A 27 -6.039 -2.228 2.319 1.00 34.10 O ATOM 454 CG2 THR A 27 -5.270 -3.765 0.650 1.00 40.13 C ATOM 0 H THR A 27 -3.418 -0.760 2.789 1.00 70.43 H new ATOM 0 HA THR A 27 -3.846 -3.676 2.910 1.00 21.34 H new ATOM 0 HB THR A 27 -4.741 -1.697 0.784 1.00 30.41 H new ATOM 0 HG1 THR A 27 -6.840 -2.072 1.777 1.00 34.10 H new ATOM 0 HG21 THR A 27 -6.153 -3.574 0.039 1.00 40.13 H new ATOM 0 HG22 THR A 27 -4.427 -4.010 0.003 1.00 40.13 H new ATOM 0 HG23 THR A 27 -5.467 -4.600 1.322 1.00 40.13 H new ATOM 462 N VAL A 28 -1.828 -4.026 1.541 1.00 25.35 N ATOM 463 CA VAL A 28 -0.631 -4.284 0.779 1.00 43.12 C ATOM 464 C VAL A 28 -0.988 -5.075 -0.482 1.00 14.22 C ATOM 465 O VAL A 28 -1.820 -6.000 -0.442 1.00 14.31 O ATOM 466 CB VAL A 28 0.376 -5.085 1.622 1.00 22.12 C ATOM 467 CG1 VAL A 28 1.671 -5.311 0.857 1.00 2.25 C ATOM 468 CG2 VAL A 28 0.648 -4.365 2.930 1.00 12.04 C ATOM 0 H VAL A 28 -2.117 -4.799 2.141 1.00 25.35 H new ATOM 0 HA VAL A 28 -0.178 -3.333 0.499 1.00 43.12 H new ATOM 0 HB VAL A 28 -0.058 -6.061 1.840 1.00 22.12 H new ATOM 0 HG11 VAL A 28 2.365 -5.880 1.476 1.00 2.25 H new ATOM 0 HG12 VAL A 28 1.461 -5.867 -0.057 1.00 2.25 H new ATOM 0 HG13 VAL A 28 2.116 -4.349 0.603 1.00 2.25 H new ATOM 0 HG21 VAL A 28 1.362 -4.940 3.520 1.00 12.04 H new ATOM 0 HG22 VAL A 28 1.060 -3.377 2.723 1.00 12.04 H new ATOM 0 HG23 VAL A 28 -0.282 -4.260 3.488 1.00 12.04 H new ATOM 478 N HIS A 29 -0.419 -4.685 -1.598 1.00 61.11 N ATOM 479 CA HIS A 29 -0.647 -5.359 -2.864 1.00 71.15 C ATOM 480 C HIS A 29 0.737 -5.633 -3.455 1.00 61.24 C ATOM 481 O HIS A 29 1.694 -4.912 -3.147 1.00 32.14 O ATOM 482 CB HIS A 29 -1.466 -4.457 -3.879 1.00 25.53 C ATOM 483 CG HIS A 29 -2.708 -3.755 -3.313 1.00 4.21 C ATOM 484 ND1 HIS A 29 -4.066 -3.914 -3.779 1.00 14.43 N ATOM 485 CD2 HIS A 29 -2.774 -2.826 -2.329 1.00 72.12 C ATOM 486 CE1 HIS A 29 -4.809 -3.076 -3.049 1.00 34.43 C ATOM 487 NE2 HIS A 29 -4.060 -2.432 -2.183 1.00 73.33 N ATOM 0 H HIS A 29 0.217 -3.890 -1.659 1.00 61.11 H new ATOM 0 HA HIS A 29 -1.227 -6.267 -2.699 1.00 71.15 H new ATOM 0 HB2 HIS A 29 -0.795 -3.697 -4.279 1.00 25.53 H new ATOM 0 HB3 HIS A 29 -1.777 -5.081 -4.717 1.00 25.53 H new ATOM 0 HD2 HIS A 29 -1.936 -2.460 -1.754 1.00 72.12 H new ATOM 0 HE1 HIS A 29 -5.876 -2.947 -3.156 1.00 34.43 H new ATOM 0 HE2 HIS A 29 -4.395 -1.744 -1.508 1.00 73.33 H new ATOM 495 N ASN A 30 0.855 -6.658 -4.241 1.00 34.42 N ATOM 496 CA ASN A 30 2.105 -6.966 -4.921 1.00 42.22 C ATOM 497 C ASN A 30 1.891 -6.707 -6.395 1.00 24.04 C ATOM 498 O ASN A 30 0.786 -6.956 -6.905 1.00 10.32 O ATOM 499 CB ASN A 30 2.535 -8.443 -4.733 1.00 34.40 C ATOM 500 CG ASN A 30 3.036 -8.880 -3.332 1.00 54.12 C ATOM 501 OD1 ASN A 30 2.880 -10.042 -2.950 1.00 62.23 O ATOM 502 ND2 ASN A 30 3.661 -8.003 -2.595 1.00 1.13 N ATOM 0 H ASN A 30 0.098 -7.312 -4.438 1.00 34.42 H new ATOM 0 HA ASN A 30 2.894 -6.344 -4.499 1.00 42.22 H new ATOM 0 HB2 ASN A 30 1.687 -9.074 -4.997 1.00 34.40 H new ATOM 0 HB3 ASN A 30 3.326 -8.655 -5.452 1.00 34.40 H new ATOM 0 HD21 ASN A 30 4.031 -8.274 -1.684 1.00 1.13 H new ATOM 0 HD22 ASN A 30 3.779 -7.047 -2.930 1.00 1.13 H new ATOM 509 N THR A 31 2.899 -6.220 -7.092 1.00 64.24 N ATOM 510 CA THR A 31 2.727 -5.904 -8.483 1.00 33.03 C ATOM 511 C THR A 31 2.786 -7.154 -9.336 1.00 1.35 C ATOM 512 O THR A 31 3.692 -7.985 -9.182 1.00 4.10 O ATOM 513 CB THR A 31 3.774 -4.886 -8.987 1.00 4.01 C ATOM 514 OG1 THR A 31 5.106 -5.376 -8.730 1.00 64.03 O ATOM 515 CG2 THR A 31 3.578 -3.524 -8.346 1.00 32.32 C ATOM 0 H THR A 31 3.831 -6.039 -6.718 1.00 64.24 H new ATOM 0 HA THR A 31 1.741 -5.449 -8.576 1.00 33.03 H new ATOM 0 HB THR A 31 3.639 -4.768 -10.062 1.00 4.01 H new ATOM 0 HG1 THR A 31 5.456 -5.811 -9.536 1.00 64.03 H new ATOM 0 HG21 THR A 31 4.331 -2.833 -8.723 1.00 32.32 H new ATOM 0 HG22 THR A 31 2.585 -3.147 -8.590 1.00 32.32 H new ATOM 0 HG23 THR A 31 3.677 -3.613 -7.264 1.00 32.32 H new ATOM 523 N TYR A 32 1.837 -7.276 -10.250 1.00 32.23 N ATOM 524 CA TYR A 32 1.769 -8.419 -11.156 1.00 75.22 C ATOM 525 C TYR A 32 2.886 -8.335 -12.199 1.00 73.55 C ATOM 526 O TYR A 32 3.154 -9.289 -12.936 1.00 25.53 O ATOM 527 CB TYR A 32 0.413 -8.466 -11.862 1.00 73.24 C ATOM 528 CG TYR A 32 -0.791 -8.587 -10.943 1.00 34.41 C ATOM 529 CD1 TYR A 32 -1.213 -9.824 -10.486 1.00 24.42 C ATOM 530 CD2 TYR A 32 -1.518 -7.463 -10.560 1.00 74.54 C ATOM 531 CE1 TYR A 32 -2.324 -9.945 -9.676 1.00 43.34 C ATOM 532 CE2 TYR A 32 -2.630 -7.577 -9.743 1.00 23.14 C ATOM 533 CZ TYR A 32 -3.029 -8.820 -9.308 1.00 20.31 C ATOM 534 OH TYR A 32 -4.145 -8.943 -8.508 1.00 75.41 O ATOM 0 H TYR A 32 1.094 -6.591 -10.387 1.00 32.23 H new ATOM 0 HA TYR A 32 1.893 -9.328 -10.567 1.00 75.22 H new ATOM 0 HB2 TYR A 32 0.302 -7.563 -12.462 1.00 73.24 H new ATOM 0 HB3 TYR A 32 0.410 -9.310 -12.552 1.00 73.24 H new ATOM 0 HD1 TYR A 32 -0.663 -10.710 -10.768 1.00 24.42 H new ATOM 0 HD2 TYR A 32 -1.210 -6.487 -10.905 1.00 74.54 H new ATOM 0 HE1 TYR A 32 -2.640 -10.919 -9.332 1.00 43.34 H new ATOM 0 HE2 TYR A 32 -3.181 -6.696 -9.449 1.00 23.14 H new ATOM 0 HH TYR A 32 -4.065 -8.340 -7.740 1.00 75.41 H new ATOM 544 N ASN A 33 3.526 -7.192 -12.249 1.00 1.23 N ATOM 545 CA ASN A 33 4.612 -6.953 -13.160 1.00 31.11 C ATOM 546 C ASN A 33 5.781 -6.337 -12.418 1.00 43.24 C ATOM 547 O ASN A 33 5.706 -6.084 -11.214 1.00 54.31 O ATOM 548 CB ASN A 33 4.172 -6.043 -14.326 1.00 22.51 C ATOM 549 CG ASN A 33 3.715 -4.659 -13.878 1.00 64.52 C ATOM 550 OD1 ASN A 33 2.545 -4.457 -13.574 1.00 42.51 O ATOM 551 ND2 ASN A 33 4.614 -3.694 -13.872 1.00 1.22 N ATOM 0 H ASN A 33 3.303 -6.396 -11.652 1.00 1.23 H new ATOM 0 HA ASN A 33 4.922 -7.908 -13.583 1.00 31.11 H new ATOM 0 HB2 ASN A 33 5.001 -5.935 -15.025 1.00 22.51 H new ATOM 0 HB3 ASN A 33 3.360 -6.527 -14.868 1.00 22.51 H new ATOM 0 HD21 ASN A 33 4.343 -2.746 -13.609 1.00 1.22 H new ATOM 0 HD22 ASN A 33 5.580 -3.895 -14.130 1.00 1.22 H new ATOM 558 N ASP A 34 6.852 -6.141 -13.113 1.00 71.34 N ATOM 559 CA ASP A 34 8.028 -5.502 -12.573 1.00 63.34 C ATOM 560 C ASP A 34 8.214 -4.176 -13.279 1.00 51.31 C ATOM 561 O ASP A 34 8.223 -4.112 -14.503 1.00 32.05 O ATOM 562 CB ASP A 34 9.273 -6.403 -12.740 1.00 23.53 C ATOM 563 CG ASP A 34 9.630 -6.672 -14.180 1.00 62.55 C ATOM 564 OD1 ASP A 34 8.864 -7.376 -14.853 1.00 24.03 O ATOM 565 OD2 ASP A 34 10.660 -6.171 -14.655 1.00 50.20 O ATOM 0 H ASP A 34 6.946 -6.421 -14.089 1.00 71.34 H new ATOM 0 HA ASP A 34 7.900 -5.333 -11.504 1.00 63.34 H new ATOM 0 HB2 ASP A 34 10.122 -5.932 -12.245 1.00 23.53 H new ATOM 0 HB3 ASP A 34 9.096 -7.352 -12.234 1.00 23.53 H new ATOM 570 N ALA A 35 8.285 -3.131 -12.513 1.00 71.32 N ATOM 571 CA ALA A 35 8.441 -1.790 -13.023 1.00 2.40 C ATOM 572 C ALA A 35 8.803 -0.898 -11.864 1.00 14.44 C ATOM 573 O ALA A 35 8.507 -1.255 -10.719 1.00 51.10 O ATOM 574 CB ALA A 35 7.131 -1.311 -13.660 1.00 33.15 C ATOM 0 H ALA A 35 8.236 -3.180 -11.495 1.00 71.32 H new ATOM 0 HA ALA A 35 9.220 -1.763 -13.785 1.00 2.40 H new ATOM 0 HB1 ALA A 35 7.261 -0.298 -14.041 1.00 33.15 H new ATOM 0 HB2 ALA A 35 6.861 -1.976 -14.481 1.00 33.15 H new ATOM 0 HB3 ALA A 35 6.339 -1.318 -12.912 1.00 33.15 H new ATOM 580 N PRO A 36 9.480 0.239 -12.116 1.00 74.11 N ATOM 581 CA PRO A 36 9.805 1.187 -11.076 1.00 54.22 C ATOM 582 C PRO A 36 8.529 1.754 -10.493 1.00 31.21 C ATOM 583 O PRO A 36 7.531 1.929 -11.218 1.00 1.24 O ATOM 584 CB PRO A 36 10.608 2.283 -11.783 1.00 13.45 C ATOM 585 CG PRO A 36 10.402 2.082 -13.227 1.00 4.31 C ATOM 586 CD PRO A 36 9.967 0.666 -13.428 1.00 54.32 C ATOM 0 HA PRO A 36 10.366 0.740 -10.255 1.00 54.22 H new ATOM 0 HB2 PRO A 36 10.269 3.272 -11.476 1.00 13.45 H new ATOM 0 HB3 PRO A 36 11.666 2.215 -11.528 1.00 13.45 H new ATOM 0 HG2 PRO A 36 9.648 2.772 -13.606 1.00 4.31 H new ATOM 0 HG3 PRO A 36 11.322 2.282 -13.777 1.00 4.31 H new ATOM 0 HD2 PRO A 36 9.184 0.595 -14.183 1.00 54.32 H new ATOM 0 HD3 PRO A 36 10.794 0.042 -13.766 1.00 54.32 H new ATOM 594 N ALA A 37 8.545 2.049 -9.218 1.00 54.45 N ATOM 595 CA ALA A 37 7.332 2.497 -8.520 1.00 31.02 C ATOM 596 C ALA A 37 6.791 3.774 -9.130 1.00 73.21 C ATOM 597 O ALA A 37 5.588 4.008 -9.157 1.00 24.25 O ATOM 598 CB ALA A 37 7.598 2.684 -7.043 1.00 61.21 C ATOM 0 H ALA A 37 9.376 1.992 -8.629 1.00 54.45 H new ATOM 0 HA ALA A 37 6.576 1.721 -8.636 1.00 31.02 H new ATOM 0 HB1 ALA A 37 6.685 3.016 -6.548 1.00 61.21 H new ATOM 0 HB2 ALA A 37 7.923 1.738 -6.609 1.00 61.21 H new ATOM 0 HB3 ALA A 37 8.378 3.433 -6.906 1.00 61.21 H new ATOM 604 N GLU A 38 7.696 4.568 -9.659 1.00 23.51 N ATOM 605 CA GLU A 38 7.370 5.829 -10.289 1.00 60.12 C ATOM 606 C GLU A 38 6.483 5.581 -11.501 1.00 2.00 C ATOM 607 O GLU A 38 5.526 6.318 -11.763 1.00 44.31 O ATOM 608 CB GLU A 38 8.673 6.518 -10.688 1.00 5.14 C ATOM 609 CG GLU A 38 8.539 7.930 -11.201 1.00 21.31 C ATOM 610 CD GLU A 38 9.887 8.516 -11.500 1.00 5.45 C ATOM 611 OE1 GLU A 38 10.611 8.894 -10.544 1.00 71.33 O ATOM 612 OE2 GLU A 38 10.276 8.558 -12.684 1.00 2.41 O ATOM 0 H GLU A 38 8.693 4.353 -9.664 1.00 23.51 H new ATOM 0 HA GLU A 38 6.822 6.473 -9.602 1.00 60.12 H new ATOM 0 HB2 GLU A 38 9.337 6.527 -9.823 1.00 5.14 H new ATOM 0 HB3 GLU A 38 9.159 5.917 -11.456 1.00 5.14 H new ATOM 0 HG2 GLU A 38 7.926 7.938 -12.102 1.00 21.31 H new ATOM 0 HG3 GLU A 38 8.026 8.544 -10.461 1.00 21.31 H new ATOM 619 N ASN A 39 6.785 4.522 -12.208 1.00 61.40 N ATOM 620 CA ASN A 39 6.045 4.127 -13.368 1.00 63.41 C ATOM 621 C ASN A 39 4.714 3.535 -12.992 1.00 3.42 C ATOM 622 O ASN A 39 3.700 3.808 -13.646 1.00 12.43 O ATOM 623 CB ASN A 39 6.860 3.163 -14.204 1.00 2.12 C ATOM 624 CG ASN A 39 8.032 3.837 -14.894 1.00 72.44 C ATOM 625 OD1 ASN A 39 8.549 4.862 -14.434 1.00 54.34 O ATOM 626 ND2 ASN A 39 8.484 3.252 -15.949 1.00 61.41 N ATOM 0 H ASN A 39 7.565 3.904 -11.986 1.00 61.40 H new ATOM 0 HA ASN A 39 5.844 5.016 -13.967 1.00 63.41 H new ATOM 0 HB2 ASN A 39 7.231 2.359 -13.568 1.00 2.12 H new ATOM 0 HB3 ASN A 39 6.216 2.704 -14.954 1.00 2.12 H new ATOM 0 HD21 ASN A 39 9.296 3.633 -16.435 1.00 61.41 H new ATOM 0 HD22 ASN A 39 8.030 2.408 -16.298 1.00 61.41 H new ATOM 633 N GLU A 40 4.693 2.756 -11.918 1.00 51.24 N ATOM 634 CA GLU A 40 3.449 2.137 -11.471 1.00 61.53 C ATOM 635 C GLU A 40 2.472 3.193 -10.988 1.00 41.55 C ATOM 636 O GLU A 40 1.265 3.101 -11.232 1.00 14.01 O ATOM 637 CB GLU A 40 3.695 1.064 -10.409 1.00 41.11 C ATOM 638 CG GLU A 40 4.427 -0.170 -10.935 1.00 22.13 C ATOM 639 CD GLU A 40 3.632 -0.913 -12.003 1.00 24.15 C ATOM 640 OE1 GLU A 40 2.741 -1.712 -11.650 1.00 30.53 O ATOM 641 OE2 GLU A 40 3.880 -0.708 -13.220 1.00 12.34 O ATOM 0 H GLU A 40 5.510 2.539 -11.347 1.00 51.24 H new ATOM 0 HA GLU A 40 3.002 1.630 -12.326 1.00 61.53 H new ATOM 0 HB2 GLU A 40 4.275 1.499 -9.595 1.00 41.11 H new ATOM 0 HB3 GLU A 40 2.737 0.755 -9.990 1.00 41.11 H new ATOM 0 HG2 GLU A 40 5.389 0.132 -11.348 1.00 22.13 H new ATOM 0 HG3 GLU A 40 4.634 -0.846 -10.105 1.00 22.13 H new ATOM 648 N VAL A 41 2.998 4.220 -10.338 1.00 40.41 N ATOM 649 CA VAL A 41 2.182 5.345 -9.900 1.00 73.20 C ATOM 650 C VAL A 41 1.629 6.089 -11.104 1.00 71.13 C ATOM 651 O VAL A 41 0.431 6.367 -11.170 1.00 53.23 O ATOM 652 CB VAL A 41 2.964 6.323 -8.982 1.00 44.24 C ATOM 653 CG1 VAL A 41 2.126 7.554 -8.663 1.00 74.14 C ATOM 654 CG2 VAL A 41 3.344 5.628 -7.697 1.00 20.35 C ATOM 0 H VAL A 41 3.987 4.299 -10.101 1.00 40.41 H new ATOM 0 HA VAL A 41 1.361 4.937 -9.311 1.00 73.20 H new ATOM 0 HB VAL A 41 3.864 6.639 -9.509 1.00 44.24 H new ATOM 0 HG11 VAL A 41 2.695 8.224 -8.019 1.00 74.14 H new ATOM 0 HG12 VAL A 41 1.871 8.070 -9.588 1.00 74.14 H new ATOM 0 HG13 VAL A 41 1.212 7.250 -8.153 1.00 74.14 H new ATOM 0 HG21 VAL A 41 3.892 6.320 -7.058 1.00 20.35 H new ATOM 0 HG22 VAL A 41 2.442 5.296 -7.183 1.00 20.35 H new ATOM 0 HG23 VAL A 41 3.972 4.766 -7.922 1.00 20.35 H new ATOM 664 N SER A 42 2.500 6.363 -12.067 1.00 23.43 N ATOM 665 CA SER A 42 2.124 7.061 -13.291 1.00 13.24 C ATOM 666 C SER A 42 1.031 6.300 -14.057 1.00 63.54 C ATOM 667 O SER A 42 0.212 6.900 -14.750 1.00 42.41 O ATOM 668 CB SER A 42 3.350 7.271 -14.172 1.00 24.31 C ATOM 669 OG SER A 42 4.351 8.013 -13.479 1.00 4.33 O ATOM 0 H SER A 42 3.487 6.108 -12.022 1.00 23.43 H new ATOM 0 HA SER A 42 1.716 8.033 -13.015 1.00 13.24 H new ATOM 0 HB2 SER A 42 3.753 6.306 -14.478 1.00 24.31 H new ATOM 0 HB3 SER A 42 3.064 7.799 -15.081 1.00 24.31 H new ATOM 0 HG SER A 42 4.650 7.506 -12.695 1.00 4.33 H new ATOM 675 N TYR A 43 1.039 4.986 -13.929 1.00 62.15 N ATOM 676 CA TYR A 43 0.035 4.146 -14.544 1.00 71.33 C ATOM 677 C TYR A 43 -1.255 4.239 -13.738 1.00 54.23 C ATOM 678 O TYR A 43 -2.313 4.536 -14.277 1.00 1.10 O ATOM 679 CB TYR A 43 0.531 2.686 -14.574 1.00 21.12 C ATOM 680 CG TYR A 43 -0.401 1.698 -15.263 1.00 4.33 C ATOM 681 CD1 TYR A 43 -1.396 1.015 -14.557 1.00 30.04 C ATOM 682 CD2 TYR A 43 -0.271 1.439 -16.618 1.00 22.23 C ATOM 683 CE1 TYR A 43 -2.224 0.109 -15.194 1.00 63.30 C ATOM 684 CE2 TYR A 43 -1.099 0.541 -17.258 1.00 13.10 C ATOM 685 CZ TYR A 43 -2.072 -0.119 -16.543 1.00 72.03 C ATOM 686 OH TYR A 43 -2.895 -1.027 -17.185 1.00 71.13 O ATOM 0 H TYR A 43 1.742 4.474 -13.396 1.00 62.15 H new ATOM 0 HA TYR A 43 -0.150 4.479 -15.565 1.00 71.33 H new ATOM 0 HB2 TYR A 43 1.499 2.658 -15.075 1.00 21.12 H new ATOM 0 HB3 TYR A 43 0.693 2.353 -13.549 1.00 21.12 H new ATOM 0 HD1 TYR A 43 -1.520 1.198 -13.500 1.00 30.04 H new ATOM 0 HD2 TYR A 43 0.494 1.950 -17.184 1.00 22.23 H new ATOM 0 HE1 TYR A 43 -2.985 -0.416 -14.637 1.00 63.30 H new ATOM 0 HE2 TYR A 43 -0.984 0.356 -18.316 1.00 13.10 H new ATOM 0 HH TYR A 43 -2.657 -1.069 -18.135 1.00 71.13 H new ATOM 696 N MET A 44 -1.137 4.014 -12.436 1.00 73.13 N ATOM 697 CA MET A 44 -2.263 3.998 -11.521 1.00 70.24 C ATOM 698 C MET A 44 -3.059 5.290 -11.541 1.00 33.32 C ATOM 699 O MET A 44 -4.279 5.258 -11.715 1.00 2.14 O ATOM 700 CB MET A 44 -1.792 3.609 -10.104 1.00 70.54 C ATOM 701 CG MET A 44 -2.879 3.557 -9.024 1.00 1.13 C ATOM 702 SD MET A 44 -3.387 5.178 -8.378 1.00 41.21 S ATOM 703 CE MET A 44 -1.853 5.731 -7.605 1.00 51.54 C ATOM 0 H MET A 44 -0.241 3.835 -11.982 1.00 73.13 H new ATOM 0 HA MET A 44 -2.960 3.234 -11.865 1.00 70.24 H new ATOM 0 HB2 MET A 44 -1.314 2.631 -10.157 1.00 70.54 H new ATOM 0 HB3 MET A 44 -1.028 4.320 -9.789 1.00 70.54 H new ATOM 0 HG2 MET A 44 -3.755 3.054 -9.433 1.00 1.13 H new ATOM 0 HG3 MET A 44 -2.519 2.947 -8.195 1.00 1.13 H new ATOM 0 HE1 MET A 44 -2.008 6.707 -7.146 1.00 51.54 H new ATOM 0 HE2 MET A 44 -1.552 5.015 -6.841 1.00 51.54 H new ATOM 0 HE3 MET A 44 -1.071 5.806 -8.361 1.00 51.54 H new ATOM 713 N ILE A 45 -2.382 6.425 -11.419 1.00 55.43 N ATOM 714 CA ILE A 45 -3.063 7.727 -11.402 1.00 24.41 C ATOM 715 C ILE A 45 -3.725 8.026 -12.758 1.00 23.31 C ATOM 716 O ILE A 45 -4.623 8.870 -12.846 1.00 60.55 O ATOM 717 CB ILE A 45 -2.106 8.900 -11.023 1.00 74.13 C ATOM 718 CG1 ILE A 45 -0.945 9.024 -12.037 1.00 3.41 C ATOM 719 CG2 ILE A 45 -1.581 8.731 -9.602 1.00 13.33 C ATOM 720 CD1 ILE A 45 0.041 10.140 -11.730 1.00 44.12 C ATOM 0 H ILE A 45 -1.367 6.478 -11.330 1.00 55.43 H new ATOM 0 HA ILE A 45 -3.830 7.656 -10.631 1.00 24.41 H new ATOM 0 HB ILE A 45 -2.677 9.827 -11.063 1.00 74.13 H new ATOM 0 HG12 ILE A 45 -0.405 8.078 -12.070 1.00 3.41 H new ATOM 0 HG13 ILE A 45 -1.362 9.188 -13.030 1.00 3.41 H new ATOM 0 HG21 ILE A 45 -0.916 9.560 -9.359 1.00 13.33 H new ATOM 0 HG22 ILE A 45 -2.418 8.720 -8.904 1.00 13.33 H new ATOM 0 HG23 ILE A 45 -1.033 7.792 -9.526 1.00 13.33 H new ATOM 0 HD11 ILE A 45 0.822 10.155 -12.491 1.00 44.12 H new ATOM 0 HD12 ILE A 45 -0.482 11.097 -11.727 1.00 44.12 H new ATOM 0 HD13 ILE A 45 0.491 9.969 -10.752 1.00 44.12 H new ATOM 732 N SER A 46 -3.318 7.297 -13.784 1.00 73.30 N ATOM 733 CA SER A 46 -3.823 7.487 -15.122 1.00 32.22 C ATOM 734 C SER A 46 -4.902 6.417 -15.474 1.00 22.14 C ATOM 735 O SER A 46 -5.480 6.445 -16.556 1.00 55.42 O ATOM 736 CB SER A 46 -2.640 7.443 -16.119 1.00 64.22 C ATOM 737 OG SER A 46 -3.047 7.706 -17.450 1.00 53.41 O ATOM 0 H SER A 46 -2.624 6.554 -13.705 1.00 73.30 H new ATOM 0 HA SER A 46 -4.309 8.460 -15.188 1.00 32.22 H new ATOM 0 HB2 SER A 46 -1.889 8.174 -15.820 1.00 64.22 H new ATOM 0 HB3 SER A 46 -2.166 6.462 -16.074 1.00 64.22 H new ATOM 0 HG SER A 46 -4.007 7.529 -17.540 1.00 53.41 H new ATOM 743 N ASN A 47 -5.162 5.473 -14.557 1.00 44.13 N ATOM 744 CA ASN A 47 -6.174 4.436 -14.804 1.00 22.53 C ATOM 745 C ASN A 47 -7.588 4.984 -14.914 1.00 42.43 C ATOM 746 O ASN A 47 -8.096 5.183 -16.015 1.00 51.22 O ATOM 747 CB ASN A 47 -6.122 3.311 -13.749 1.00 30.24 C ATOM 748 CG ASN A 47 -4.863 2.499 -13.835 1.00 73.32 C ATOM 749 OD1 ASN A 47 -4.298 2.341 -14.904 1.00 52.21 O ATOM 750 ND2 ASN A 47 -4.409 1.976 -12.726 1.00 4.12 N ATOM 0 H ASN A 47 -4.695 5.406 -13.653 1.00 44.13 H new ATOM 0 HA ASN A 47 -5.915 4.016 -15.776 1.00 22.53 H new ATOM 0 HB2 ASN A 47 -6.202 3.747 -12.753 1.00 30.24 H new ATOM 0 HB3 ASN A 47 -6.983 2.655 -13.879 1.00 30.24 H new ATOM 0 HD21 ASN A 47 -3.557 1.416 -12.738 1.00 4.12 H new ATOM 0 HD22 ASN A 47 -4.907 2.128 -11.849 1.00 4.12 H new ATOM 757 N ASN A 48 -8.196 5.261 -13.762 1.00 73.32 N ATOM 758 CA ASN A 48 -9.615 5.663 -13.668 1.00 4.32 C ATOM 759 C ASN A 48 -10.497 4.489 -13.996 1.00 15.52 C ATOM 760 O ASN A 48 -11.109 4.419 -15.069 1.00 30.32 O ATOM 761 CB ASN A 48 -10.036 6.905 -14.520 1.00 72.22 C ATOM 762 CG ASN A 48 -9.412 8.216 -14.087 1.00 72.10 C ATOM 763 OD1 ASN A 48 -9.085 8.413 -12.909 1.00 24.13 O ATOM 764 ND2 ASN A 48 -9.265 9.126 -15.014 1.00 1.11 N ATOM 0 H ASN A 48 -7.724 5.215 -12.859 1.00 73.32 H new ATOM 0 HA ASN A 48 -9.746 5.986 -12.635 1.00 4.32 H new ATOM 0 HB2 ASN A 48 -9.772 6.720 -15.561 1.00 72.22 H new ATOM 0 HB3 ASN A 48 -11.121 7.005 -14.479 1.00 72.22 H new ATOM 0 HD21 ASN A 48 -8.869 10.036 -14.777 1.00 1.11 H new ATOM 0 HD22 ASN A 48 -9.546 8.926 -15.974 1.00 1.11 H new ATOM 771 N ASN A 49 -10.475 3.517 -13.115 1.00 4.01 N ATOM 772 CA ASN A 49 -11.280 2.326 -13.266 1.00 44.11 C ATOM 773 C ASN A 49 -11.818 1.933 -11.925 1.00 51.43 C ATOM 774 O ASN A 49 -12.936 2.294 -11.568 1.00 41.44 O ATOM 775 CB ASN A 49 -10.486 1.149 -13.876 1.00 21.00 C ATOM 776 CG ASN A 49 -9.975 1.402 -15.273 1.00 62.05 C ATOM 777 OD1 ASN A 49 -8.871 1.911 -15.456 1.00 31.12 O ATOM 778 ND2 ASN A 49 -10.756 1.039 -16.267 1.00 33.42 N ATOM 0 H ASN A 49 -9.899 3.529 -12.273 1.00 4.01 H new ATOM 0 HA ASN A 49 -12.092 2.554 -13.957 1.00 44.11 H new ATOM 0 HB2 ASN A 49 -9.640 0.922 -13.228 1.00 21.00 H new ATOM 0 HB3 ASN A 49 -11.123 0.265 -13.889 1.00 21.00 H new ATOM 0 HD21 ASN A 49 -10.452 1.177 -17.231 1.00 33.42 H new ATOM 0 HD22 ASN A 49 -11.666 0.620 -16.074 1.00 33.42 H new ATOM 785 N GLU A 50 -11.018 1.234 -11.155 1.00 44.20 N ATOM 786 CA GLU A 50 -11.415 0.843 -9.829 1.00 43.23 C ATOM 787 C GLU A 50 -10.267 0.981 -8.879 1.00 12.31 C ATOM 788 O GLU A 50 -10.276 1.835 -8.048 1.00 11.13 O ATOM 789 CB GLU A 50 -11.984 -0.593 -9.772 1.00 54.12 C ATOM 790 CG GLU A 50 -13.222 -0.828 -10.624 1.00 72.24 C ATOM 791 CD GLU A 50 -13.795 -2.216 -10.456 1.00 73.44 C ATOM 792 OE1 GLU A 50 -13.238 -3.181 -11.024 1.00 21.22 O ATOM 793 OE2 GLU A 50 -14.810 -2.364 -9.749 1.00 44.53 O ATOM 0 H GLU A 50 -10.085 0.925 -11.428 1.00 44.20 H new ATOM 0 HA GLU A 50 -12.219 1.516 -9.531 1.00 43.23 H new ATOM 0 HB2 GLU A 50 -11.207 -1.289 -10.088 1.00 54.12 H new ATOM 0 HB3 GLU A 50 -12.224 -0.832 -8.736 1.00 54.12 H new ATOM 0 HG2 GLU A 50 -13.982 -0.092 -10.362 1.00 72.24 H new ATOM 0 HG3 GLU A 50 -12.971 -0.668 -11.673 1.00 72.24 H new ATOM 800 N VAL A 51 -9.234 0.210 -9.075 1.00 32.24 N ATOM 801 CA VAL A 51 -8.182 0.136 -8.092 1.00 21.12 C ATOM 802 C VAL A 51 -7.197 1.279 -8.238 1.00 33.10 C ATOM 803 O VAL A 51 -6.772 1.648 -9.352 1.00 15.40 O ATOM 804 CB VAL A 51 -7.438 -1.228 -8.154 1.00 53.43 C ATOM 805 CG1 VAL A 51 -6.372 -1.333 -7.064 1.00 54.11 C ATOM 806 CG2 VAL A 51 -8.428 -2.372 -8.037 1.00 40.54 C ATOM 0 H VAL A 51 -9.095 -0.374 -9.900 1.00 32.24 H new ATOM 0 HA VAL A 51 -8.658 0.222 -7.115 1.00 21.12 H new ATOM 0 HB VAL A 51 -6.934 -1.291 -9.119 1.00 53.43 H new ATOM 0 HG11 VAL A 51 -5.872 -2.299 -7.136 1.00 54.11 H new ATOM 0 HG12 VAL A 51 -5.641 -0.535 -7.192 1.00 54.11 H new ATOM 0 HG13 VAL A 51 -6.842 -1.241 -6.085 1.00 54.11 H new ATOM 0 HG21 VAL A 51 -7.894 -3.321 -8.082 1.00 40.54 H new ATOM 0 HG22 VAL A 51 -8.958 -2.299 -7.088 1.00 40.54 H new ATOM 0 HG23 VAL A 51 -9.144 -2.319 -8.857 1.00 40.54 H new ATOM 816 N SER A 52 -6.897 1.864 -7.115 1.00 2.42 N ATOM 817 CA SER A 52 -5.967 2.932 -6.988 1.00 15.44 C ATOM 818 C SER A 52 -5.126 2.636 -5.735 1.00 11.03 C ATOM 819 O SER A 52 -5.451 1.713 -4.987 1.00 53.01 O ATOM 820 CB SER A 52 -6.757 4.235 -6.817 1.00 4.31 C ATOM 821 OG SER A 52 -7.749 4.357 -7.846 1.00 23.00 O ATOM 0 H SER A 52 -7.317 1.592 -6.226 1.00 2.42 H new ATOM 0 HA SER A 52 -5.319 3.030 -7.859 1.00 15.44 H new ATOM 0 HB2 SER A 52 -7.236 4.252 -5.838 1.00 4.31 H new ATOM 0 HB3 SER A 52 -6.078 5.087 -6.855 1.00 4.31 H new ATOM 0 HG SER A 52 -8.246 5.192 -7.723 1.00 23.00 H new ATOM 827 N PHE A 53 -4.063 3.365 -5.505 1.00 32.02 N ATOM 828 CA PHE A 53 -3.278 3.137 -4.313 1.00 12.43 C ATOM 829 C PHE A 53 -2.635 4.422 -3.853 1.00 10.24 C ATOM 830 O PHE A 53 -2.631 5.390 -4.577 1.00 23.24 O ATOM 831 CB PHE A 53 -2.214 2.013 -4.498 1.00 71.33 C ATOM 832 CG PHE A 53 -1.146 2.294 -5.514 1.00 52.04 C ATOM 833 CD1 PHE A 53 -0.172 3.227 -5.250 1.00 33.10 C ATOM 834 CD2 PHE A 53 -1.109 1.618 -6.717 1.00 64.32 C ATOM 835 CE1 PHE A 53 0.807 3.498 -6.138 1.00 11.53 C ATOM 836 CE2 PHE A 53 -0.111 1.882 -7.637 1.00 13.35 C ATOM 837 CZ PHE A 53 0.850 2.828 -7.347 1.00 32.44 C ATOM 0 H PHE A 53 -3.724 4.109 -6.114 1.00 32.02 H new ATOM 0 HA PHE A 53 -3.963 2.788 -3.540 1.00 12.43 H new ATOM 0 HB2 PHE A 53 -1.736 1.828 -3.536 1.00 71.33 H new ATOM 0 HB3 PHE A 53 -2.727 1.094 -4.781 1.00 71.33 H new ATOM 0 HD1 PHE A 53 -0.191 3.756 -4.309 1.00 33.10 H new ATOM 0 HD2 PHE A 53 -1.864 0.879 -6.941 1.00 64.32 H new ATOM 0 HE1 PHE A 53 1.558 4.239 -5.904 1.00 11.53 H new ATOM 0 HE2 PHE A 53 -0.084 1.351 -8.577 1.00 13.35 H new ATOM 0 HZ PHE A 53 1.632 3.044 -8.060 1.00 32.44 H new ATOM 847 N HIS A 54 -2.064 4.414 -2.679 1.00 71.23 N ATOM 848 CA HIS A 54 -1.432 5.596 -2.154 1.00 34.31 C ATOM 849 C HIS A 54 0.021 5.636 -2.510 1.00 73.42 C ATOM 850 O HIS A 54 0.453 6.507 -3.255 1.00 24.12 O ATOM 851 CB HIS A 54 -1.597 5.710 -0.630 1.00 64.12 C ATOM 852 CG HIS A 54 -3.001 5.914 -0.154 1.00 30.13 C ATOM 853 ND1 HIS A 54 -3.839 4.855 0.083 1.00 5.01 N ATOM 854 CD2 HIS A 54 -3.644 7.066 0.141 1.00 54.44 C ATOM 855 CE1 HIS A 54 -4.976 5.398 0.519 1.00 12.53 C ATOM 856 NE2 HIS A 54 -4.896 6.722 0.568 1.00 73.34 N ATOM 0 H HIS A 54 -2.023 3.600 -2.066 1.00 71.23 H new ATOM 0 HA HIS A 54 -1.934 6.447 -2.614 1.00 34.31 H new ATOM 0 HB2 HIS A 54 -1.202 4.804 -0.169 1.00 64.12 H new ATOM 0 HB3 HIS A 54 -0.986 6.540 -0.276 1.00 64.12 H new ATOM 0 HD2 HIS A 54 -3.245 8.066 0.056 1.00 54.44 H new ATOM 0 HE1 HIS A 54 -5.852 4.831 0.797 1.00 12.53 H new ATOM 0 HE2 HIS A 54 -5.631 7.363 0.868 1.00 73.34 H new ATOM 864 N ILE A 55 0.768 4.682 -2.019 1.00 55.42 N ATOM 865 CA ILE A 55 2.201 4.720 -2.160 1.00 21.33 C ATOM 866 C ILE A 55 2.701 3.434 -2.771 1.00 52.00 C ATOM 867 O ILE A 55 2.280 2.338 -2.379 1.00 14.21 O ATOM 868 CB ILE A 55 2.896 4.897 -0.779 1.00 41.54 C ATOM 869 CG1 ILE A 55 2.300 6.086 -0.013 1.00 73.42 C ATOM 870 CG2 ILE A 55 4.377 5.173 -1.022 1.00 14.02 C ATOM 871 CD1 ILE A 55 2.613 6.107 1.464 1.00 23.13 C ATOM 0 H ILE A 55 0.409 3.869 -1.518 1.00 55.42 H new ATOM 0 HA ILE A 55 2.441 5.567 -2.803 1.00 21.33 H new ATOM 0 HB ILE A 55 2.750 3.992 -0.190 1.00 41.54 H new ATOM 0 HG12 ILE A 55 2.666 7.010 -0.461 1.00 73.42 H new ATOM 0 HG13 ILE A 55 1.218 6.077 -0.141 1.00 73.42 H new ATOM 0 HG21 ILE A 55 4.885 5.301 -0.066 1.00 14.02 H new ATOM 0 HG22 ILE A 55 4.820 4.334 -1.559 1.00 14.02 H new ATOM 0 HG23 ILE A 55 4.485 6.081 -1.615 1.00 14.02 H new ATOM 0 HD11 ILE A 55 2.151 6.982 1.921 1.00 23.13 H new ATOM 0 HD12 ILE A 55 2.222 5.204 1.932 1.00 23.13 H new ATOM 0 HD13 ILE A 55 3.693 6.151 1.607 1.00 23.13 H new ATOM 883 N ALA A 56 3.571 3.563 -3.717 1.00 63.40 N ATOM 884 CA ALA A 56 4.201 2.415 -4.327 1.00 1.25 C ATOM 885 C ALA A 56 5.675 2.417 -4.011 1.00 61.51 C ATOM 886 O ALA A 56 6.341 3.443 -4.156 1.00 52.53 O ATOM 887 CB ALA A 56 4.004 2.417 -5.830 1.00 62.54 C ATOM 0 H ALA A 56 3.872 4.461 -4.096 1.00 63.40 H new ATOM 0 HA ALA A 56 3.737 1.516 -3.922 1.00 1.25 H new ATOM 0 HB1 ALA A 56 4.489 1.541 -6.262 1.00 62.54 H new ATOM 0 HB2 ALA A 56 2.938 2.391 -6.057 1.00 62.54 H new ATOM 0 HB3 ALA A 56 4.443 3.320 -6.253 1.00 62.54 H new ATOM 893 N VAL A 57 6.177 1.302 -3.554 1.00 34.42 N ATOM 894 CA VAL A 57 7.581 1.156 -3.310 1.00 61.34 C ATOM 895 C VAL A 57 8.189 0.139 -4.259 1.00 52.03 C ATOM 896 O VAL A 57 7.654 -0.965 -4.441 1.00 13.03 O ATOM 897 CB VAL A 57 7.914 0.750 -1.842 1.00 53.15 C ATOM 898 CG1 VAL A 57 7.501 1.816 -0.859 1.00 64.32 C ATOM 899 CG2 VAL A 57 7.309 -0.591 -1.457 1.00 64.24 C ATOM 0 H VAL A 57 5.623 0.472 -3.342 1.00 34.42 H new ATOM 0 HA VAL A 57 8.016 2.140 -3.484 1.00 61.34 H new ATOM 0 HB VAL A 57 8.998 0.645 -1.797 1.00 53.15 H new ATOM 0 HG11 VAL A 57 7.750 1.495 0.152 1.00 64.32 H new ATOM 0 HG12 VAL A 57 8.028 2.743 -1.085 1.00 64.32 H new ATOM 0 HG13 VAL A 57 6.426 1.982 -0.932 1.00 64.32 H new ATOM 0 HG21 VAL A 57 7.571 -0.826 -0.425 1.00 64.24 H new ATOM 0 HG22 VAL A 57 6.224 -0.542 -1.553 1.00 64.24 H new ATOM 0 HG23 VAL A 57 7.697 -1.368 -2.116 1.00 64.24 H new ATOM 909 N ASP A 58 9.255 0.511 -4.899 1.00 73.01 N ATOM 910 CA ASP A 58 9.987 -0.419 -5.694 1.00 20.30 C ATOM 911 C ASP A 58 11.295 -0.690 -4.999 1.00 35.03 C ATOM 912 O ASP A 58 11.507 -0.219 -3.871 1.00 64.32 O ATOM 913 CB ASP A 58 10.188 0.017 -7.173 1.00 23.32 C ATOM 914 CG ASP A 58 11.130 1.172 -7.404 1.00 13.53 C ATOM 915 OD1 ASP A 58 12.312 0.968 -7.350 1.00 13.44 O ATOM 916 OD2 ASP A 58 10.687 2.281 -7.692 1.00 32.15 O ATOM 0 H ASP A 58 9.637 1.457 -4.884 1.00 73.01 H new ATOM 0 HA ASP A 58 9.399 -1.333 -5.777 1.00 20.30 H new ATOM 0 HB2 ASP A 58 10.554 -0.841 -7.737 1.00 23.32 H new ATOM 0 HB3 ASP A 58 9.215 0.280 -7.588 1.00 23.32 H new ATOM 921 N ASP A 59 12.149 -1.462 -5.622 1.00 74.32 N ATOM 922 CA ASP A 59 13.438 -1.850 -5.017 1.00 21.51 C ATOM 923 C ASP A 59 14.324 -0.608 -4.763 1.00 53.14 C ATOM 924 O ASP A 59 15.205 -0.616 -3.897 1.00 52.31 O ATOM 925 CB ASP A 59 14.197 -2.865 -5.925 1.00 43.41 C ATOM 926 CG ASP A 59 14.824 -2.258 -7.170 1.00 10.14 C ATOM 927 OD1 ASP A 59 15.985 -1.791 -7.105 1.00 62.32 O ATOM 928 OD2 ASP A 59 14.189 -2.272 -8.234 1.00 11.11 O ATOM 0 H ASP A 59 11.991 -1.846 -6.554 1.00 74.32 H new ATOM 0 HA ASP A 59 13.223 -2.329 -4.062 1.00 21.51 H new ATOM 0 HB2 ASP A 59 14.980 -3.343 -5.337 1.00 43.41 H new ATOM 0 HB3 ASP A 59 13.503 -3.649 -6.229 1.00 43.41 H new ATOM 933 N LYS A 60 14.047 0.441 -5.491 1.00 43.32 N ATOM 934 CA LYS A 60 14.810 1.673 -5.483 1.00 72.41 C ATOM 935 C LYS A 60 14.111 2.825 -4.751 1.00 62.54 C ATOM 936 O LYS A 60 14.625 3.325 -3.747 1.00 42.25 O ATOM 937 CB LYS A 60 15.105 2.052 -6.943 1.00 71.32 C ATOM 938 CG LYS A 60 15.550 3.474 -7.213 1.00 32.31 C ATOM 939 CD LYS A 60 16.849 3.820 -6.519 1.00 11.21 C ATOM 940 CE LYS A 60 17.267 5.240 -6.834 1.00 43.25 C ATOM 941 NZ LYS A 60 18.509 5.613 -6.141 1.00 10.02 N ATOM 0 H LYS A 60 13.254 0.467 -6.132 1.00 43.32 H new ATOM 0 HA LYS A 60 15.731 1.501 -4.926 1.00 72.41 H new ATOM 0 HB2 LYS A 60 15.877 1.380 -7.317 1.00 71.32 H new ATOM 0 HB3 LYS A 60 14.206 1.862 -7.529 1.00 71.32 H new ATOM 0 HG2 LYS A 60 15.668 3.616 -8.287 1.00 32.31 H new ATOM 0 HG3 LYS A 60 14.772 4.163 -6.884 1.00 32.31 H new ATOM 0 HD2 LYS A 60 16.733 3.701 -5.442 1.00 11.21 H new ATOM 0 HD3 LYS A 60 17.630 3.128 -6.834 1.00 11.21 H new ATOM 0 HE2 LYS A 60 17.405 5.347 -7.910 1.00 43.25 H new ATOM 0 HE3 LYS A 60 16.470 5.925 -6.545 1.00 43.25 H new ATOM 0 HZ1 LYS A 60 18.761 6.593 -6.383 1.00 10.02 H new ATOM 0 HZ2 LYS A 60 18.370 5.535 -5.113 1.00 10.02 H new ATOM 0 HZ3 LYS A 60 19.276 4.975 -6.436 1.00 10.02 H new ATOM 955 N LYS A 61 12.970 3.243 -5.242 1.00 53.34 N ATOM 956 CA LYS A 61 12.324 4.430 -4.733 1.00 11.43 C ATOM 957 C LYS A 61 10.867 4.214 -4.421 1.00 32.13 C ATOM 958 O LYS A 61 10.255 3.234 -4.854 1.00 45.10 O ATOM 959 CB LYS A 61 12.545 5.617 -5.699 1.00 1.45 C ATOM 960 CG LYS A 61 12.263 5.290 -7.154 1.00 11.11 C ATOM 961 CD LYS A 61 12.544 6.475 -8.057 1.00 62.40 C ATOM 962 CE LYS A 61 12.422 6.086 -9.520 1.00 63.21 C ATOM 963 NZ LYS A 61 12.709 7.213 -10.421 1.00 12.13 N ATOM 0 H LYS A 61 12.467 2.777 -5.997 1.00 53.34 H new ATOM 0 HA LYS A 61 12.792 4.675 -3.779 1.00 11.43 H new ATOM 0 HB2 LYS A 61 11.906 6.445 -5.393 1.00 1.45 H new ATOM 0 HB3 LYS A 61 13.576 5.959 -5.607 1.00 1.45 H new ATOM 0 HG2 LYS A 61 12.876 4.443 -7.463 1.00 11.11 H new ATOM 0 HG3 LYS A 61 11.222 4.987 -7.264 1.00 11.11 H new ATOM 0 HD2 LYS A 61 11.846 7.282 -7.832 1.00 62.40 H new ATOM 0 HD3 LYS A 61 13.546 6.857 -7.861 1.00 62.40 H new ATOM 0 HE2 LYS A 61 13.109 5.267 -9.735 1.00 63.21 H new ATOM 0 HE3 LYS A 61 11.415 5.716 -9.713 1.00 63.21 H new ATOM 0 HZ1 LYS A 61 12.564 6.915 -11.407 1.00 12.13 H new ATOM 0 HZ2 LYS A 61 12.071 8.004 -10.201 1.00 12.13 H new ATOM 0 HZ3 LYS A 61 13.695 7.518 -10.293 1.00 12.13 H new ATOM 977 N ALA A 62 10.338 5.106 -3.637 1.00 53.03 N ATOM 978 CA ALA A 62 8.965 5.065 -3.233 1.00 21.11 C ATOM 979 C ALA A 62 8.289 6.259 -3.795 1.00 74.22 C ATOM 980 O ALA A 62 8.772 7.365 -3.655 1.00 20.43 O ATOM 981 CB ALA A 62 8.853 5.082 -1.717 1.00 53.21 C ATOM 0 H ALA A 62 10.858 5.896 -3.254 1.00 53.03 H new ATOM 0 HA ALA A 62 8.500 4.149 -3.597 1.00 21.11 H new ATOM 0 HB1 ALA A 62 7.802 5.050 -1.429 1.00 53.21 H new ATOM 0 HB2 ALA A 62 9.368 4.215 -1.304 1.00 53.21 H new ATOM 0 HB3 ALA A 62 9.308 5.993 -1.329 1.00 53.21 H new ATOM 987 N ILE A 63 7.211 6.061 -4.449 1.00 13.23 N ATOM 988 CA ILE A 63 6.506 7.149 -5.029 1.00 64.15 C ATOM 989 C ILE A 63 5.087 7.118 -4.557 1.00 71.44 C ATOM 990 O ILE A 63 4.451 6.062 -4.540 1.00 43.51 O ATOM 991 CB ILE A 63 6.542 7.174 -6.599 1.00 4.24 C ATOM 992 CG1 ILE A 63 7.969 7.298 -7.168 1.00 23.31 C ATOM 993 CG2 ILE A 63 5.699 8.301 -7.134 1.00 51.31 C ATOM 994 CD1 ILE A 63 8.809 6.057 -7.079 1.00 53.02 C ATOM 0 H ILE A 63 6.788 5.145 -4.601 1.00 13.23 H new ATOM 0 HA ILE A 63 7.012 8.058 -4.704 1.00 64.15 H new ATOM 0 HB ILE A 63 6.137 6.215 -6.923 1.00 4.24 H new ATOM 0 HG12 ILE A 63 7.900 7.595 -8.214 1.00 23.31 H new ATOM 0 HG13 ILE A 63 8.483 8.102 -6.642 1.00 23.31 H new ATOM 0 HG21 ILE A 63 5.738 8.299 -8.223 1.00 51.31 H new ATOM 0 HG22 ILE A 63 4.667 8.170 -6.808 1.00 51.31 H new ATOM 0 HG23 ILE A 63 6.080 9.251 -6.758 1.00 51.31 H new ATOM 0 HD11 ILE A 63 9.793 6.252 -7.507 1.00 53.02 H new ATOM 0 HD12 ILE A 63 8.919 5.766 -6.034 1.00 53.02 H new ATOM 0 HD13 ILE A 63 8.327 5.251 -7.632 1.00 53.02 H new ATOM 1006 N GLN A 64 4.597 8.239 -4.152 1.00 25.23 N ATOM 1007 CA GLN A 64 3.242 8.307 -3.710 1.00 60.51 C ATOM 1008 C GLN A 64 2.386 8.989 -4.771 1.00 25.11 C ATOM 1009 O GLN A 64 2.821 9.971 -5.405 1.00 40.54 O ATOM 1010 CB GLN A 64 3.139 9.048 -2.400 1.00 71.21 C ATOM 1011 CG GLN A 64 1.784 8.924 -1.775 1.00 74.21 C ATOM 1012 CD GLN A 64 1.628 9.754 -0.535 1.00 54.23 C ATOM 1013 OE1 GLN A 64 2.587 10.017 0.186 1.00 71.40 O ATOM 1014 NE2 GLN A 64 0.434 10.143 -0.262 1.00 74.01 N ATOM 0 H GLN A 64 5.110 9.120 -4.117 1.00 25.23 H new ATOM 0 HA GLN A 64 2.878 7.292 -3.553 1.00 60.51 H new ATOM 0 HB2 GLN A 64 3.890 8.665 -1.710 1.00 71.21 H new ATOM 0 HB3 GLN A 64 3.365 10.102 -2.564 1.00 71.21 H new ATOM 0 HG2 GLN A 64 1.027 9.221 -2.501 1.00 74.21 H new ATOM 0 HG3 GLN A 64 1.598 7.878 -1.530 1.00 74.21 H new ATOM 0 HE21 GLN A 64 -0.336 9.904 -0.887 1.00 74.01 H new ATOM 0 HE22 GLN A 64 0.256 10.691 0.580 1.00 74.01 H new ATOM 1023 N GLY A 65 1.180 8.480 -4.950 1.00 20.51 N ATOM 1024 CA GLY A 65 0.284 9.006 -5.974 1.00 63.23 C ATOM 1025 C GLY A 65 -1.073 9.477 -5.443 1.00 55.22 C ATOM 1026 O GLY A 65 -1.678 10.375 -6.001 1.00 32.25 O ATOM 0 H GLY A 65 0.797 7.708 -4.405 1.00 20.51 H new ATOM 0 HA2 GLY A 65 0.774 9.841 -6.475 1.00 63.23 H new ATOM 0 HA3 GLY A 65 0.119 8.235 -6.726 1.00 63.23 H new ATOM 1030 N ILE A 66 -1.555 8.881 -4.391 1.00 70.04 N ATOM 1031 CA ILE A 66 -2.806 9.340 -3.777 1.00 52.11 C ATOM 1032 C ILE A 66 -2.495 9.839 -2.372 1.00 25.43 C ATOM 1033 O ILE A 66 -1.719 9.197 -1.658 1.00 44.31 O ATOM 1034 CB ILE A 66 -3.900 8.212 -3.741 1.00 3.22 C ATOM 1035 CG1 ILE A 66 -4.309 7.785 -5.166 1.00 2.42 C ATOM 1036 CG2 ILE A 66 -5.134 8.625 -2.934 1.00 72.52 C ATOM 1037 CD1 ILE A 66 -5.000 8.846 -5.976 1.00 25.40 C ATOM 0 H ILE A 66 -1.119 8.082 -3.930 1.00 70.04 H new ATOM 0 HA ILE A 66 -3.220 10.147 -4.382 1.00 52.11 H new ATOM 0 HB ILE A 66 -3.449 7.357 -3.237 1.00 3.22 H new ATOM 0 HG12 ILE A 66 -3.416 7.464 -5.703 1.00 2.42 H new ATOM 0 HG13 ILE A 66 -4.967 6.919 -5.094 1.00 2.42 H new ATOM 0 HG21 ILE A 66 -5.861 7.813 -2.939 1.00 72.52 H new ATOM 0 HG22 ILE A 66 -4.841 8.843 -1.907 1.00 72.52 H new ATOM 0 HG23 ILE A 66 -5.580 9.513 -3.381 1.00 72.52 H new ATOM 0 HD11 ILE A 66 -5.247 8.449 -6.961 1.00 25.40 H new ATOM 0 HD12 ILE A 66 -5.915 9.153 -5.469 1.00 25.40 H new ATOM 0 HD13 ILE A 66 -4.340 9.707 -6.087 1.00 25.40 H new ATOM 1049 N PRO A 67 -3.024 11.023 -1.974 1.00 11.21 N ATOM 1050 CA PRO A 67 -2.796 11.577 -0.637 1.00 43.20 C ATOM 1051 C PRO A 67 -3.346 10.664 0.461 1.00 23.54 C ATOM 1052 O PRO A 67 -4.493 10.217 0.399 1.00 0.21 O ATOM 1053 CB PRO A 67 -3.544 12.919 -0.656 1.00 4.12 C ATOM 1054 CG PRO A 67 -4.522 12.798 -1.766 1.00 42.24 C ATOM 1055 CD PRO A 67 -3.877 11.908 -2.791 1.00 31.44 C ATOM 0 HA PRO A 67 -1.734 11.684 -0.417 1.00 43.20 H new ATOM 0 HB2 PRO A 67 -4.046 13.105 0.294 1.00 4.12 H new ATOM 0 HB3 PRO A 67 -2.859 13.750 -0.822 1.00 4.12 H new ATOM 0 HG2 PRO A 67 -5.461 12.371 -1.414 1.00 42.24 H new ATOM 0 HG3 PRO A 67 -4.755 13.775 -2.189 1.00 42.24 H new ATOM 0 HD2 PRO A 67 -4.617 11.344 -3.358 1.00 31.44 H new ATOM 0 HD3 PRO A 67 -3.292 12.480 -3.511 1.00 31.44 H new ATOM 1063 N LEU A 68 -2.528 10.428 1.468 1.00 72.32 N ATOM 1064 CA LEU A 68 -2.837 9.512 2.569 1.00 31.02 C ATOM 1065 C LEU A 68 -4.053 9.919 3.380 1.00 2.30 C ATOM 1066 O LEU A 68 -4.669 9.090 4.011 1.00 12.31 O ATOM 1067 CB LEU A 68 -1.626 9.372 3.480 1.00 21.34 C ATOM 1068 CG LEU A 68 -0.430 8.601 2.919 1.00 52.44 C ATOM 1069 CD1 LEU A 68 0.777 8.820 3.802 1.00 51.44 C ATOM 1070 CD2 LEU A 68 -0.749 7.109 2.874 1.00 33.34 C ATOM 0 H LEU A 68 -1.613 10.870 1.553 1.00 72.32 H new ATOM 0 HA LEU A 68 -3.082 8.553 2.112 1.00 31.02 H new ATOM 0 HB2 LEU A 68 -1.288 10.372 3.753 1.00 21.34 H new ATOM 0 HB3 LEU A 68 -1.946 8.881 4.399 1.00 21.34 H new ATOM 0 HG LEU A 68 -0.220 8.960 1.912 1.00 52.44 H new ATOM 0 HD11 LEU A 68 1.627 8.269 3.399 1.00 51.44 H new ATOM 0 HD12 LEU A 68 1.016 9.883 3.835 1.00 51.44 H new ATOM 0 HD13 LEU A 68 0.560 8.466 4.810 1.00 51.44 H new ATOM 0 HD21 LEU A 68 0.107 6.566 2.473 1.00 33.34 H new ATOM 0 HD22 LEU A 68 -0.966 6.753 3.881 1.00 33.34 H new ATOM 0 HD23 LEU A 68 -1.616 6.941 2.235 1.00 33.34 H new ATOM 1082 N GLU A 69 -4.410 11.186 3.359 1.00 3.44 N ATOM 1083 CA GLU A 69 -5.545 11.632 4.150 1.00 53.43 C ATOM 1084 C GLU A 69 -6.833 11.669 3.321 1.00 35.25 C ATOM 1085 O GLU A 69 -7.813 12.352 3.658 1.00 12.24 O ATOM 1086 CB GLU A 69 -5.244 12.951 4.860 1.00 2.43 C ATOM 1087 CG GLU A 69 -4.117 12.833 5.879 1.00 25.11 C ATOM 1088 CD GLU A 69 -3.866 14.106 6.649 1.00 54.51 C ATOM 1089 OE1 GLU A 69 -4.514 14.310 7.702 1.00 43.25 O ATOM 1090 OE2 GLU A 69 -3.017 14.917 6.222 1.00 54.11 O ATOM 0 H GLU A 69 -3.945 11.914 2.817 1.00 3.44 H new ATOM 0 HA GLU A 69 -5.719 10.897 4.936 1.00 53.43 H new ATOM 0 HB2 GLU A 69 -4.979 13.705 4.118 1.00 2.43 H new ATOM 0 HB3 GLU A 69 -6.146 13.301 5.362 1.00 2.43 H new ATOM 0 HG2 GLU A 69 -4.355 12.034 6.581 1.00 25.11 H new ATOM 0 HG3 GLU A 69 -3.201 12.543 5.364 1.00 25.11 H new ATOM 1097 N ARG A 70 -6.813 10.936 2.241 1.00 72.35 N ATOM 1098 CA ARG A 70 -7.971 10.661 1.433 1.00 73.23 C ATOM 1099 C ARG A 70 -8.033 9.192 1.124 1.00 73.04 C ATOM 1100 O ARG A 70 -7.065 8.459 1.366 1.00 51.53 O ATOM 1101 CB ARG A 70 -8.086 11.473 0.140 1.00 53.45 C ATOM 1102 CG ARG A 70 -8.817 12.812 0.240 1.00 41.13 C ATOM 1103 CD ARG A 70 -7.907 14.031 0.285 1.00 13.15 C ATOM 1104 NE ARG A 70 -7.238 14.240 1.559 1.00 0.20 N ATOM 1105 CZ ARG A 70 -6.265 15.142 1.752 1.00 54.34 C ATOM 1106 NH1 ARG A 70 -5.752 15.817 0.716 1.00 22.40 N ATOM 1107 NH2 ARG A 70 -5.821 15.378 2.969 1.00 10.13 N ATOM 0 H ARG A 70 -5.962 10.499 1.887 1.00 72.35 H new ATOM 0 HA ARG A 70 -8.822 10.978 2.036 1.00 73.23 H new ATOM 0 HB2 ARG A 70 -7.080 11.660 -0.236 1.00 53.45 H new ATOM 0 HB3 ARG A 70 -8.596 10.860 -0.604 1.00 53.45 H new ATOM 0 HG2 ARG A 70 -9.489 12.908 -0.613 1.00 41.13 H new ATOM 0 HG3 ARG A 70 -9.438 12.806 1.136 1.00 41.13 H new ATOM 0 HD2 ARG A 70 -7.152 13.934 -0.495 1.00 13.15 H new ATOM 0 HD3 ARG A 70 -8.496 14.917 0.049 1.00 13.15 H new ATOM 0 HE ARG A 70 -7.526 13.667 2.352 1.00 0.20 H new ATOM 0 HH11 ARG A 70 -6.101 15.646 -0.227 1.00 22.40 H new ATOM 0 HH12 ARG A 70 -5.012 16.502 0.870 1.00 22.40 H new ATOM 0 HH21 ARG A 70 -6.217 14.875 3.763 1.00 10.13 H new ATOM 0 HH22 ARG A 70 -5.081 16.064 3.118 1.00 10.13 H new ATOM 1121 N ASN A 71 -9.157 8.759 0.601 1.00 4.11 N ATOM 1122 CA ASN A 71 -9.370 7.360 0.317 1.00 74.13 C ATOM 1123 C ASN A 71 -8.671 6.985 -0.978 1.00 42.04 C ATOM 1124 O ASN A 71 -8.322 7.846 -1.788 1.00 14.52 O ATOM 1125 CB ASN A 71 -10.887 7.054 0.155 1.00 74.12 C ATOM 1126 CG ASN A 71 -11.467 7.461 -1.209 1.00 23.15 C ATOM 1127 OD1 ASN A 71 -11.916 8.580 -1.410 1.00 65.24 O ATOM 1128 ND2 ASN A 71 -11.494 6.525 -2.131 1.00 13.43 N ATOM 0 H ASN A 71 -9.944 9.362 0.362 1.00 4.11 H new ATOM 0 HA ASN A 71 -8.968 6.784 1.150 1.00 74.13 H new ATOM 0 HB2 ASN A 71 -11.049 5.986 0.303 1.00 74.12 H new ATOM 0 HB3 ASN A 71 -11.437 7.572 0.941 1.00 74.12 H new ATOM 0 HD21 ASN A 71 -11.898 6.722 -3.046 1.00 13.43 H new ATOM 0 HD22 ASN A 71 -11.111 5.601 -1.931 1.00 13.43 H new ATOM 1135 N ALA A 72 -8.474 5.723 -1.158 1.00 71.12 N ATOM 1136 CA ALA A 72 -8.007 5.186 -2.389 1.00 33.35 C ATOM 1137 C ALA A 72 -8.770 3.935 -2.601 1.00 55.02 C ATOM 1138 O ALA A 72 -9.035 3.223 -1.641 1.00 61.25 O ATOM 1139 CB ALA A 72 -6.518 4.894 -2.358 1.00 64.14 C ATOM 0 H ALA A 72 -8.637 5.021 -0.436 1.00 71.12 H new ATOM 0 HA ALA A 72 -8.156 5.903 -3.196 1.00 33.35 H new ATOM 0 HB1 ALA A 72 -6.207 4.485 -3.320 1.00 64.14 H new ATOM 0 HB2 ALA A 72 -5.970 5.816 -2.161 1.00 64.14 H new ATOM 0 HB3 ALA A 72 -6.305 4.171 -1.571 1.00 64.14 H new ATOM 1145 N TRP A 73 -9.179 3.652 -3.801 1.00 21.41 N ATOM 1146 CA TRP A 73 -9.904 2.436 -3.990 1.00 33.21 C ATOM 1147 C TRP A 73 -8.909 1.301 -3.976 1.00 52.10 C ATOM 1148 O TRP A 73 -8.197 1.084 -4.929 1.00 31.23 O ATOM 1149 CB TRP A 73 -10.660 2.461 -5.305 1.00 72.53 C ATOM 1150 CG TRP A 73 -11.564 3.649 -5.481 1.00 64.05 C ATOM 1151 CD1 TRP A 73 -11.538 4.555 -6.509 1.00 10.50 C ATOM 1152 CD2 TRP A 73 -12.599 4.087 -4.591 1.00 0.44 C ATOM 1153 NE1 TRP A 73 -12.506 5.519 -6.302 1.00 54.14 N ATOM 1154 CE2 TRP A 73 -13.160 5.250 -5.132 1.00 14.45 C ATOM 1155 CE3 TRP A 73 -13.099 3.604 -3.390 1.00 45.35 C ATOM 1156 CZ2 TRP A 73 -14.196 5.933 -4.509 1.00 21.12 C ATOM 1157 CZ3 TRP A 73 -14.123 4.278 -2.771 1.00 74.32 C ATOM 1158 CH2 TRP A 73 -14.663 5.434 -3.329 1.00 35.31 C ATOM 0 H TRP A 73 -9.031 4.222 -4.634 1.00 21.41 H new ATOM 0 HA TRP A 73 -10.638 2.309 -3.194 1.00 33.21 H new ATOM 0 HB2 TRP A 73 -9.941 2.443 -6.124 1.00 72.53 H new ATOM 0 HB3 TRP A 73 -11.256 1.552 -5.384 1.00 72.53 H new ATOM 0 HD1 TRP A 73 -10.864 4.521 -7.352 1.00 10.50 H new ATOM 0 HE1 TRP A 73 -12.701 6.305 -6.922 1.00 54.14 H new ATOM 0 HE3 TRP A 73 -12.688 2.709 -2.947 1.00 45.35 H new ATOM 0 HZ2 TRP A 73 -14.617 6.828 -4.944 1.00 21.12 H new ATOM 0 HZ3 TRP A 73 -14.516 3.906 -1.836 1.00 74.32 H new ATOM 0 HH2 TRP A 73 -15.466 5.944 -2.818 1.00 35.31 H new ATOM 1169 N ALA A 74 -8.882 0.582 -2.899 1.00 32.43 N ATOM 1170 CA ALA A 74 -7.889 -0.441 -2.720 1.00 43.33 C ATOM 1171 C ALA A 74 -8.463 -1.801 -2.785 1.00 45.53 C ATOM 1172 O ALA A 74 -7.949 -2.669 -3.474 1.00 61.35 O ATOM 1173 CB ALA A 74 -7.220 -0.264 -1.389 1.00 31.11 C ATOM 0 H ALA A 74 -9.538 0.682 -2.124 1.00 32.43 H new ATOM 0 HA ALA A 74 -7.171 -0.339 -3.534 1.00 43.33 H new ATOM 0 HB1 ALA A 74 -6.467 -1.040 -1.254 1.00 31.11 H new ATOM 0 HB2 ALA A 74 -6.743 0.715 -1.349 1.00 31.11 H new ATOM 0 HB3 ALA A 74 -7.964 -0.338 -0.595 1.00 31.11 H new ATOM 1179 N CYS A 75 -9.504 -2.009 -2.046 1.00 0.52 N ATOM 1180 CA CYS A 75 -10.076 -3.301 -1.970 1.00 15.25 C ATOM 1181 C CYS A 75 -11.102 -3.580 -3.060 1.00 70.13 C ATOM 1182 O CYS A 75 -11.466 -4.719 -3.272 1.00 2.15 O ATOM 1183 CB CYS A 75 -10.586 -3.594 -0.561 1.00 73.13 C ATOM 1184 SG CYS A 75 -11.610 -2.328 0.203 1.00 10.21 S ATOM 0 H CYS A 75 -9.972 -1.295 -1.488 1.00 0.52 H new ATOM 0 HA CYS A 75 -9.277 -4.014 -2.173 1.00 15.25 H new ATOM 0 HB2 CYS A 75 -11.157 -4.522 -0.591 1.00 73.13 H new ATOM 0 HB3 CYS A 75 -9.725 -3.771 0.083 1.00 73.13 H new ATOM 0 HG CYS A 75 -12.503 -1.920 -0.649 1.00 10.21 H new ATOM 1190 N GLY A 76 -11.538 -2.524 -3.745 1.00 33.13 N ATOM 1191 CA GLY A 76 -12.491 -2.659 -4.850 1.00 61.42 C ATOM 1192 C GLY A 76 -13.780 -3.376 -4.468 1.00 43.12 C ATOM 1193 O GLY A 76 -14.365 -4.087 -5.286 1.00 62.12 O ATOM 0 H GLY A 76 -11.248 -1.565 -3.556 1.00 33.13 H new ATOM 0 HA2 GLY A 76 -12.737 -1.667 -5.228 1.00 61.42 H new ATOM 0 HA3 GLY A 76 -12.013 -3.202 -5.665 1.00 61.42 H new ATOM 1197 N ASP A 77 -14.207 -3.209 -3.232 1.00 63.42 N ATOM 1198 CA ASP A 77 -15.405 -3.900 -2.757 1.00 5.14 C ATOM 1199 C ASP A 77 -16.591 -2.944 -2.664 1.00 52.24 C ATOM 1200 O ASP A 77 -17.720 -3.343 -2.383 1.00 43.24 O ATOM 1201 CB ASP A 77 -15.143 -4.546 -1.390 1.00 40.21 C ATOM 1202 CG ASP A 77 -16.280 -5.450 -0.947 1.00 74.02 C ATOM 1203 OD1 ASP A 77 -16.493 -6.506 -1.586 1.00 61.44 O ATOM 1204 OD2 ASP A 77 -16.955 -5.131 0.056 1.00 73.12 O ATOM 0 H ASP A 77 -13.754 -2.611 -2.541 1.00 63.42 H new ATOM 0 HA ASP A 77 -15.650 -4.680 -3.478 1.00 5.14 H new ATOM 0 HB2 ASP A 77 -14.220 -5.124 -1.436 1.00 40.21 H new ATOM 0 HB3 ASP A 77 -14.993 -3.765 -0.645 1.00 40.21 H new ATOM 1209 N GLY A 78 -16.343 -1.693 -2.923 1.00 25.13 N ATOM 1210 CA GLY A 78 -17.363 -0.704 -2.745 1.00 2.23 C ATOM 1211 C GLY A 78 -16.997 0.160 -1.593 1.00 35.34 C ATOM 1212 O GLY A 78 -16.492 1.266 -1.779 1.00 64.14 O ATOM 0 H GLY A 78 -15.448 -1.336 -3.256 1.00 25.13 H new ATOM 0 HA2 GLY A 78 -17.468 -0.104 -3.649 1.00 2.23 H new ATOM 0 HA3 GLY A 78 -18.326 -1.183 -2.567 1.00 2.23 H new ATOM 1216 N ASN A 79 -17.215 -0.325 -0.388 1.00 64.13 N ATOM 1217 CA ASN A 79 -16.763 0.419 0.770 1.00 74.14 C ATOM 1218 C ASN A 79 -15.604 -0.298 1.438 1.00 63.41 C ATOM 1219 O ASN A 79 -14.651 0.350 1.876 1.00 11.32 O ATOM 1220 CB ASN A 79 -17.891 0.629 1.813 1.00 24.24 C ATOM 1221 CG ASN A 79 -19.094 1.444 1.328 1.00 72.43 C ATOM 1222 OD1 ASN A 79 -20.203 1.254 1.802 1.00 42.14 O ATOM 1223 ND2 ASN A 79 -18.896 2.335 0.382 1.00 54.31 N ATOM 0 H ASN A 79 -17.689 -1.206 -0.187 1.00 64.13 H new ATOM 0 HA ASN A 79 -16.446 1.397 0.409 1.00 74.14 H new ATOM 0 HB2 ASN A 79 -18.245 -0.348 2.141 1.00 24.24 H new ATOM 0 HB3 ASN A 79 -17.467 1.124 2.686 1.00 24.24 H new ATOM 0 HD21 ASN A 79 -19.678 2.886 0.028 1.00 54.31 H new ATOM 0 HD22 ASN A 79 -17.960 2.476 0.002 1.00 54.31 H new ATOM 1230 N GLY A 80 -15.644 -1.649 1.392 1.00 20.54 N ATOM 1231 CA GLY A 80 -14.676 -2.515 2.044 1.00 43.00 C ATOM 1232 C GLY A 80 -14.258 -1.990 3.385 1.00 73.02 C ATOM 1233 O GLY A 80 -14.981 -2.078 4.370 1.00 52.40 O ATOM 0 H GLY A 80 -16.368 -2.162 0.888 1.00 20.54 H new ATOM 0 HA2 GLY A 80 -15.104 -3.510 2.163 1.00 43.00 H new ATOM 0 HA3 GLY A 80 -13.798 -2.620 1.407 1.00 43.00 H new ATOM 1237 N SER A 81 -13.107 -1.427 3.367 1.00 14.11 N ATOM 1238 CA SER A 81 -12.472 -0.723 4.457 1.00 63.00 C ATOM 1239 C SER A 81 -11.331 0.028 3.832 1.00 33.23 C ATOM 1240 O SER A 81 -10.972 1.143 4.242 1.00 40.22 O ATOM 1241 CB SER A 81 -11.956 -1.674 5.554 1.00 0.22 C ATOM 1242 OG SER A 81 -13.005 -2.435 6.143 1.00 10.54 O ATOM 0 H SER A 81 -12.525 -1.438 2.530 1.00 14.11 H new ATOM 0 HA SER A 81 -13.184 -0.066 4.956 1.00 63.00 H new ATOM 0 HB2 SER A 81 -11.215 -2.350 5.127 1.00 0.22 H new ATOM 0 HB3 SER A 81 -11.452 -1.094 6.327 1.00 0.22 H new ATOM 0 HG SER A 81 -13.863 -2.163 5.756 1.00 10.54 H new ATOM 1248 N GLY A 82 -10.758 -0.591 2.810 1.00 64.01 N ATOM 1249 CA GLY A 82 -9.709 0.056 2.070 1.00 73.32 C ATOM 1250 C GLY A 82 -10.244 1.042 1.081 1.00 13.34 C ATOM 1251 O GLY A 82 -9.655 2.055 0.874 1.00 23.02 O ATOM 0 H GLY A 82 -11.004 -1.526 2.485 1.00 64.01 H new ATOM 0 HA2 GLY A 82 -9.038 0.565 2.762 1.00 73.32 H new ATOM 0 HA3 GLY A 82 -9.117 -0.696 1.548 1.00 73.32 H new ATOM 1255 N ASN A 83 -11.382 0.711 0.448 1.00 4.25 N ATOM 1256 CA ASN A 83 -12.059 1.663 -0.463 1.00 33.01 C ATOM 1257 C ASN A 83 -12.340 2.993 0.227 1.00 12.15 C ATOM 1258 O ASN A 83 -12.102 4.047 -0.338 1.00 35.00 O ATOM 1259 CB ASN A 83 -13.407 1.117 -0.997 1.00 44.52 C ATOM 1260 CG ASN A 83 -13.314 0.012 -2.036 1.00 42.03 C ATOM 1261 OD1 ASN A 83 -13.264 -1.151 -1.705 1.00 43.41 O ATOM 1262 ND2 ASN A 83 -13.356 0.369 -3.291 1.00 4.11 N ATOM 0 H ASN A 83 -11.849 -0.190 0.544 1.00 4.25 H new ATOM 0 HA ASN A 83 -11.371 1.804 -1.296 1.00 33.01 H new ATOM 0 HB2 ASN A 83 -13.986 0.746 -0.152 1.00 44.52 H new ATOM 0 HB3 ASN A 83 -13.967 1.947 -1.427 1.00 44.52 H new ATOM 0 HD21 ASN A 83 -13.347 -0.341 -4.024 1.00 4.11 H new ATOM 0 HD22 ASN A 83 -13.398 1.358 -3.539 1.00 4.11 H new ATOM 1269 N ARG A 84 -12.852 2.929 1.451 1.00 61.34 N ATOM 1270 CA ARG A 84 -13.232 4.139 2.161 1.00 21.41 C ATOM 1271 C ARG A 84 -12.079 4.793 2.869 1.00 51.25 C ATOM 1272 O ARG A 84 -12.031 6.019 2.957 1.00 31.32 O ATOM 1273 CB ARG A 84 -14.383 3.894 3.124 1.00 21.41 C ATOM 1274 CG ARG A 84 -15.639 3.383 2.454 1.00 51.33 C ATOM 1275 CD ARG A 84 -16.150 4.326 1.370 1.00 12.34 C ATOM 1276 NE ARG A 84 -16.535 5.635 1.892 1.00 24.31 N ATOM 1277 CZ ARG A 84 -17.589 6.331 1.464 1.00 55.33 C ATOM 1278 NH1 ARG A 84 -18.311 5.888 0.436 1.00 34.30 N ATOM 1279 NH2 ARG A 84 -17.901 7.477 2.040 1.00 52.33 N ATOM 0 H ARG A 84 -13.011 2.062 1.965 1.00 61.34 H new ATOM 0 HA ARG A 84 -13.571 4.835 1.393 1.00 21.41 H new ATOM 0 HB2 ARG A 84 -14.066 3.174 3.879 1.00 21.41 H new ATOM 0 HB3 ARG A 84 -14.613 4.823 3.646 1.00 21.41 H new ATOM 0 HG2 ARG A 84 -15.440 2.405 2.016 1.00 51.33 H new ATOM 0 HG3 ARG A 84 -16.416 3.244 3.205 1.00 51.33 H new ATOM 0 HD2 ARG A 84 -15.376 4.455 0.613 1.00 12.34 H new ATOM 0 HD3 ARG A 84 -17.008 3.871 0.874 1.00 12.34 H new ATOM 0 HE ARG A 84 -15.961 6.042 2.631 1.00 24.31 H new ATOM 0 HH11 ARG A 84 -18.058 5.014 -0.026 1.00 34.30 H new ATOM 0 HH12 ARG A 84 -19.117 6.422 0.111 1.00 34.30 H new ATOM 0 HH21 ARG A 84 -17.336 7.830 2.812 1.00 52.33 H new ATOM 0 HH22 ARG A 84 -18.707 8.009 1.713 1.00 52.33 H new ATOM 1293 N GLN A 85 -11.166 4.012 3.414 1.00 52.52 N ATOM 1294 CA GLN A 85 -10.025 4.606 4.035 1.00 61.20 C ATOM 1295 C GLN A 85 -8.710 3.912 3.667 1.00 65.25 C ATOM 1296 O GLN A 85 -8.301 3.970 2.523 1.00 44.22 O ATOM 1297 CB GLN A 85 -10.253 4.856 5.560 1.00 72.33 C ATOM 1298 CG GLN A 85 -10.732 3.633 6.355 1.00 4.45 C ATOM 1299 CD GLN A 85 -11.175 3.949 7.784 1.00 33.02 C ATOM 1300 OE1 GLN A 85 -12.032 3.266 8.331 1.00 73.30 O ATOM 1301 NE2 GLN A 85 -10.621 4.974 8.392 1.00 41.24 N ATOM 0 H GLN A 85 -11.199 2.993 3.434 1.00 52.52 H new ATOM 0 HA GLN A 85 -9.904 5.603 3.611 1.00 61.20 H new ATOM 0 HB2 GLN A 85 -9.320 5.212 5.998 1.00 72.33 H new ATOM 0 HB3 GLN A 85 -10.985 5.655 5.676 1.00 72.33 H new ATOM 0 HG2 GLN A 85 -11.563 3.170 5.823 1.00 4.45 H new ATOM 0 HG3 GLN A 85 -9.927 2.898 6.390 1.00 4.45 H new ATOM 0 HE21 GLN A 85 -9.909 5.527 7.914 1.00 41.24 H new ATOM 0 HE22 GLN A 85 -10.903 5.217 9.342 1.00 41.24 H new ATOM 1310 N SER A 86 -8.135 3.188 4.620 1.00 5.14 N ATOM 1311 CA SER A 86 -6.872 2.508 4.520 1.00 41.41 C ATOM 1312 C SER A 86 -5.745 3.280 3.784 1.00 40.53 C ATOM 1313 O SER A 86 -5.850 4.450 3.452 1.00 72.35 O ATOM 1314 CB SER A 86 -7.091 1.136 3.929 1.00 52.43 C ATOM 1315 OG SER A 86 -8.119 0.473 4.653 1.00 70.43 O ATOM 0 H SER A 86 -8.573 3.059 5.532 1.00 5.14 H new ATOM 0 HA SER A 86 -6.492 2.429 5.539 1.00 41.41 H new ATOM 0 HB2 SER A 86 -7.366 1.220 2.878 1.00 52.43 H new ATOM 0 HB3 SER A 86 -6.168 0.557 3.972 1.00 52.43 H new ATOM 0 HG SER A 86 -8.035 -0.495 4.527 1.00 70.43 H new ATOM 1321 N ILE A 87 -4.651 2.616 3.672 1.00 21.14 N ATOM 1322 CA ILE A 87 -3.537 3.036 2.878 1.00 51.04 C ATOM 1323 C ILE A 87 -3.201 1.913 1.957 1.00 23.40 C ATOM 1324 O ILE A 87 -3.060 0.783 2.392 1.00 42.35 O ATOM 1325 CB ILE A 87 -2.297 3.354 3.720 1.00 4.43 C ATOM 1326 CG1 ILE A 87 -2.615 4.471 4.690 1.00 2.03 C ATOM 1327 CG2 ILE A 87 -1.158 3.752 2.792 1.00 54.14 C ATOM 1328 CD1 ILE A 87 -1.553 4.756 5.711 1.00 52.25 C ATOM 0 H ILE A 87 -4.494 1.728 4.148 1.00 21.14 H new ATOM 0 HA ILE A 87 -3.815 3.948 2.349 1.00 51.04 H new ATOM 0 HB ILE A 87 -1.997 2.477 4.294 1.00 4.43 H new ATOM 0 HG12 ILE A 87 -2.802 5.382 4.121 1.00 2.03 H new ATOM 0 HG13 ILE A 87 -3.540 4.225 5.211 1.00 2.03 H new ATOM 0 HG21 ILE A 87 -0.271 3.980 3.382 1.00 54.14 H new ATOM 0 HG22 ILE A 87 -0.939 2.929 2.111 1.00 54.14 H new ATOM 0 HG23 ILE A 87 -1.448 4.632 2.217 1.00 54.14 H new ATOM 0 HD11 ILE A 87 -1.878 5.572 6.356 1.00 52.25 H new ATOM 0 HD12 ILE A 87 -1.379 3.864 6.313 1.00 52.25 H new ATOM 0 HD13 ILE A 87 -0.629 5.039 5.206 1.00 52.25 H new ATOM 1340 N SER A 88 -3.096 2.190 0.721 1.00 72.31 N ATOM 1341 CA SER A 88 -2.778 1.191 -0.215 1.00 14.24 C ATOM 1342 C SER A 88 -1.295 1.248 -0.528 1.00 23.41 C ATOM 1343 O SER A 88 -0.794 2.274 -1.012 1.00 3.44 O ATOM 1344 CB SER A 88 -3.571 1.444 -1.449 1.00 41.04 C ATOM 1345 OG SER A 88 -4.929 1.568 -1.140 1.00 74.31 O ATOM 0 H SER A 88 -3.229 3.121 0.326 1.00 72.31 H new ATOM 0 HA SER A 88 -3.013 0.204 0.182 1.00 14.24 H new ATOM 0 HB2 SER A 88 -3.218 2.353 -1.936 1.00 41.04 H new ATOM 0 HB3 SER A 88 -3.426 0.627 -2.156 1.00 41.04 H new ATOM 0 HG SER A 88 -5.394 2.010 -1.881 1.00 74.31 H new ATOM 1351 N VAL A 89 -0.607 0.175 -0.244 1.00 33.45 N ATOM 1352 CA VAL A 89 0.803 0.077 -0.519 1.00 40.03 C ATOM 1353 C VAL A 89 1.015 -0.925 -1.635 1.00 45.33 C ATOM 1354 O VAL A 89 0.537 -2.065 -1.563 1.00 60.15 O ATOM 1355 CB VAL A 89 1.610 -0.344 0.743 1.00 73.25 C ATOM 1356 CG1 VAL A 89 3.104 -0.437 0.434 1.00 31.33 C ATOM 1357 CG2 VAL A 89 1.367 0.642 1.878 1.00 73.10 C ATOM 0 H VAL A 89 -1.009 -0.658 0.186 1.00 33.45 H new ATOM 0 HA VAL A 89 1.167 1.059 -0.821 1.00 40.03 H new ATOM 0 HB VAL A 89 1.265 -1.331 1.052 1.00 73.25 H new ATOM 0 HG11 VAL A 89 3.644 -0.733 1.333 1.00 31.33 H new ATOM 0 HG12 VAL A 89 3.268 -1.178 -0.348 1.00 31.33 H new ATOM 0 HG13 VAL A 89 3.467 0.534 0.096 1.00 31.33 H new ATOM 0 HG21 VAL A 89 1.938 0.335 2.755 1.00 73.10 H new ATOM 0 HG22 VAL A 89 1.684 1.638 1.569 1.00 73.10 H new ATOM 0 HG23 VAL A 89 0.305 0.659 2.124 1.00 73.10 H new ATOM 1367 N GLU A 90 1.689 -0.495 -2.651 1.00 5.32 N ATOM 1368 CA GLU A 90 1.938 -1.307 -3.814 1.00 64.25 C ATOM 1369 C GLU A 90 3.423 -1.681 -3.828 1.00 73.33 C ATOM 1370 O GLU A 90 4.284 -0.794 -3.824 1.00 61.13 O ATOM 1371 CB GLU A 90 1.597 -0.481 -5.062 1.00 75.42 C ATOM 1372 CG GLU A 90 1.585 -1.250 -6.368 1.00 42.03 C ATOM 1373 CD GLU A 90 0.465 -2.265 -6.431 1.00 63.04 C ATOM 1374 OE1 GLU A 90 -0.662 -1.898 -6.838 1.00 15.21 O ATOM 1375 OE2 GLU A 90 0.687 -3.430 -6.088 1.00 44.11 O ATOM 0 H GLU A 90 2.091 0.441 -2.705 1.00 5.32 H new ATOM 0 HA GLU A 90 1.331 -2.212 -3.799 1.00 64.25 H new ATOM 0 HB2 GLU A 90 0.617 -0.026 -4.919 1.00 75.42 H new ATOM 0 HB3 GLU A 90 2.317 0.333 -5.146 1.00 75.42 H new ATOM 0 HG2 GLU A 90 1.484 -0.550 -7.197 1.00 42.03 H new ATOM 0 HG3 GLU A 90 2.540 -1.759 -6.495 1.00 42.03 H new ATOM 1382 N ILE A 91 3.728 -2.960 -3.810 1.00 63.14 N ATOM 1383 CA ILE A 91 5.120 -3.393 -3.831 1.00 34.14 C ATOM 1384 C ILE A 91 5.507 -3.777 -5.235 1.00 35.02 C ATOM 1385 O ILE A 91 5.027 -4.788 -5.767 1.00 33.13 O ATOM 1386 CB ILE A 91 5.390 -4.585 -2.888 1.00 21.23 C ATOM 1387 CG1 ILE A 91 4.953 -4.237 -1.467 1.00 71.13 C ATOM 1388 CG2 ILE A 91 6.878 -4.950 -2.917 1.00 74.35 C ATOM 1389 CD1 ILE A 91 5.157 -5.351 -0.463 1.00 41.51 C ATOM 0 H ILE A 91 3.044 -3.716 -3.781 1.00 63.14 H new ATOM 0 HA ILE A 91 5.721 -2.554 -3.479 1.00 34.14 H new ATOM 0 HB ILE A 91 4.814 -5.446 -3.228 1.00 21.23 H new ATOM 0 HG12 ILE A 91 5.505 -3.358 -1.134 1.00 71.13 H new ATOM 0 HG13 ILE A 91 3.898 -3.964 -1.480 1.00 71.13 H new ATOM 0 HG21 ILE A 91 7.059 -5.792 -2.249 1.00 74.35 H new ATOM 0 HG22 ILE A 91 7.166 -5.224 -3.932 1.00 74.35 H new ATOM 0 HG23 ILE A 91 7.469 -4.094 -2.591 1.00 74.35 H new ATOM 0 HD11 ILE A 91 4.821 -5.021 0.520 1.00 41.51 H new ATOM 0 HD12 ILE A 91 4.582 -6.226 -0.768 1.00 41.51 H new ATOM 0 HD13 ILE A 91 6.215 -5.610 -0.417 1.00 41.51 H new ATOM 1401 N CYS A 92 6.369 -2.990 -5.816 1.00 44.15 N ATOM 1402 CA CYS A 92 6.793 -3.182 -7.175 1.00 5.22 C ATOM 1403 C CYS A 92 7.857 -4.260 -7.273 1.00 74.53 C ATOM 1404 O CYS A 92 8.517 -4.578 -6.291 1.00 43.11 O ATOM 1405 CB CYS A 92 7.286 -1.867 -7.751 1.00 72.43 C ATOM 1406 SG CYS A 92 6.057 -0.550 -7.656 1.00 42.10 S ATOM 0 H CYS A 92 6.801 -2.189 -5.355 1.00 44.15 H new ATOM 0 HA CYS A 92 5.939 -3.521 -7.762 1.00 5.22 H new ATOM 0 HB2 CYS A 92 8.184 -1.557 -7.217 1.00 72.43 H new ATOM 0 HB3 CYS A 92 7.570 -2.017 -8.793 1.00 72.43 H new ATOM 0 HG CYS A 92 6.320 0.216 -6.639 1.00 42.10 H new ATOM 1412 N TYR A 93 7.986 -4.844 -8.470 1.00 62.14 N ATOM 1413 CA TYR A 93 8.955 -5.913 -8.750 1.00 73.42 C ATOM 1414 C TYR A 93 8.603 -7.210 -8.044 1.00 42.53 C ATOM 1415 O TYR A 93 9.393 -8.149 -8.044 1.00 50.52 O ATOM 1416 CB TYR A 93 10.403 -5.493 -8.432 1.00 1.15 C ATOM 1417 CG TYR A 93 10.957 -4.420 -9.339 1.00 1.34 C ATOM 1418 CD1 TYR A 93 11.527 -4.754 -10.555 1.00 11.42 C ATOM 1419 CD2 TYR A 93 10.921 -3.085 -8.980 1.00 75.32 C ATOM 1420 CE1 TYR A 93 12.042 -3.795 -11.395 1.00 72.42 C ATOM 1421 CE2 TYR A 93 11.436 -2.110 -9.815 1.00 13.44 C ATOM 1422 CZ TYR A 93 11.998 -2.476 -11.025 1.00 51.54 C ATOM 1423 OH TYR A 93 12.510 -1.516 -11.872 1.00 13.22 O ATOM 0 H TYR A 93 7.418 -4.587 -9.277 1.00 62.14 H new ATOM 0 HA TYR A 93 8.895 -6.094 -9.823 1.00 73.42 H new ATOM 0 HB2 TYR A 93 10.447 -5.139 -7.402 1.00 1.15 H new ATOM 0 HB3 TYR A 93 11.045 -6.372 -8.495 1.00 1.15 H new ATOM 0 HD1 TYR A 93 11.568 -5.792 -10.851 1.00 11.42 H new ATOM 0 HD2 TYR A 93 10.485 -2.800 -8.034 1.00 75.32 H new ATOM 0 HE1 TYR A 93 12.479 -4.079 -12.341 1.00 72.42 H new ATOM 0 HE2 TYR A 93 11.400 -1.070 -9.524 1.00 13.44 H new ATOM 0 HH TYR A 93 12.402 -0.631 -11.466 1.00 13.22 H new ATOM 1433 N SER A 94 7.400 -7.283 -7.496 1.00 52.41 N ATOM 1434 CA SER A 94 6.966 -8.467 -6.801 1.00 23.14 C ATOM 1435 C SER A 94 6.906 -9.671 -7.718 1.00 54.33 C ATOM 1436 O SER A 94 7.196 -10.800 -7.289 1.00 62.45 O ATOM 1437 CB SER A 94 5.632 -8.251 -6.140 1.00 63.14 C ATOM 1438 OG SER A 94 5.226 -9.424 -5.472 1.00 43.12 O ATOM 0 H SER A 94 6.712 -6.531 -7.524 1.00 52.41 H new ATOM 0 HA SER A 94 7.709 -8.670 -6.030 1.00 23.14 H new ATOM 0 HB2 SER A 94 5.698 -7.425 -5.432 1.00 63.14 H new ATOM 0 HB3 SER A 94 4.888 -7.973 -6.887 1.00 63.14 H new ATOM 0 HG SER A 94 4.617 -9.933 -6.046 1.00 43.12 H new ATOM 1444 N LYS A 95 6.541 -9.449 -8.985 1.00 21.40 N ATOM 1445 CA LYS A 95 6.484 -10.547 -9.944 1.00 54.11 C ATOM 1446 C LYS A 95 7.879 -11.186 -10.040 1.00 0.01 C ATOM 1447 O LYS A 95 8.019 -12.404 -10.162 1.00 72.34 O ATOM 1448 CB LYS A 95 5.992 -10.033 -11.351 1.00 45.12 C ATOM 1449 CG LYS A 95 7.071 -9.646 -12.395 1.00 1.10 C ATOM 1450 CD LYS A 95 7.678 -10.904 -13.037 1.00 14.23 C ATOM 1451 CE LYS A 95 8.804 -10.611 -14.001 1.00 31.50 C ATOM 1452 NZ LYS A 95 8.354 -9.878 -15.203 1.00 44.14 N ATOM 0 H LYS A 95 6.286 -8.536 -9.361 1.00 21.40 H new ATOM 0 HA LYS A 95 5.767 -11.296 -9.608 1.00 54.11 H new ATOM 0 HB2 LYS A 95 5.363 -10.808 -11.790 1.00 45.12 H new ATOM 0 HB3 LYS A 95 5.357 -9.162 -11.187 1.00 45.12 H new ATOM 0 HG2 LYS A 95 6.629 -9.015 -13.166 1.00 1.10 H new ATOM 0 HG3 LYS A 95 7.856 -9.061 -11.915 1.00 1.10 H new ATOM 0 HD2 LYS A 95 8.047 -11.561 -12.249 1.00 14.23 H new ATOM 0 HD3 LYS A 95 6.893 -11.447 -13.563 1.00 14.23 H new ATOM 0 HE2 LYS A 95 9.570 -10.027 -13.491 1.00 31.50 H new ATOM 0 HE3 LYS A 95 9.268 -11.549 -14.306 1.00 31.50 H new ATOM 0 HZ1 LYS A 95 8.666 -10.385 -16.056 1.00 44.14 H new ATOM 0 HZ2 LYS A 95 7.316 -9.811 -15.200 1.00 44.14 H new ATOM 0 HZ3 LYS A 95 8.763 -8.922 -15.200 1.00 44.14 H new ATOM 1466 N SER A 96 8.899 -10.332 -9.953 1.00 10.24 N ATOM 1467 CA SER A 96 10.269 -10.747 -10.115 1.00 44.31 C ATOM 1468 C SER A 96 10.726 -11.595 -8.912 1.00 44.24 C ATOM 1469 O SER A 96 11.615 -12.423 -9.041 1.00 53.24 O ATOM 1470 CB SER A 96 11.154 -9.495 -10.295 1.00 72.13 C ATOM 1471 OG SER A 96 12.497 -9.824 -10.562 1.00 33.12 O ATOM 0 H SER A 96 8.786 -9.335 -9.768 1.00 10.24 H new ATOM 0 HA SER A 96 10.362 -11.374 -11.002 1.00 44.31 H new ATOM 0 HB2 SER A 96 10.761 -8.890 -11.112 1.00 72.13 H new ATOM 0 HB3 SER A 96 11.104 -8.885 -9.393 1.00 72.13 H new ATOM 0 HG SER A 96 13.020 -9.002 -10.670 1.00 33.12 H new ATOM 1477 N GLY A 97 10.061 -11.403 -7.774 1.00 24.04 N ATOM 1478 CA GLY A 97 10.251 -12.225 -6.558 1.00 51.43 C ATOM 1479 C GLY A 97 11.623 -12.177 -5.856 1.00 50.32 C ATOM 1480 O GLY A 97 11.684 -12.243 -4.633 1.00 51.12 O ATOM 0 H GLY A 97 9.365 -10.666 -7.659 1.00 24.04 H new ATOM 0 HA2 GLY A 97 9.495 -11.927 -5.832 1.00 51.43 H new ATOM 0 HA3 GLY A 97 10.048 -13.263 -6.822 1.00 51.43 H new ATOM 1484 N GLY A 98 12.678 -12.077 -6.616 1.00 64.51 N ATOM 1485 CA GLY A 98 14.012 -12.125 -6.096 1.00 13.32 C ATOM 1486 C GLY A 98 14.514 -10.817 -5.545 1.00 73.20 C ATOM 1487 O GLY A 98 13.764 -10.064 -4.925 1.00 42.43 O ATOM 0 H GLY A 98 12.632 -11.958 -7.628 1.00 64.51 H new ATOM 0 HA2 GLY A 98 14.055 -12.877 -5.308 1.00 13.32 H new ATOM 0 HA3 GLY A 98 14.685 -12.454 -6.887 1.00 13.32 H new ATOM 1491 N ASP A 99 15.778 -10.541 -5.809 1.00 21.23 N ATOM 1492 CA ASP A 99 16.516 -9.381 -5.268 1.00 12.03 C ATOM 1493 C ASP A 99 15.767 -8.050 -5.374 1.00 32.22 C ATOM 1494 O ASP A 99 15.783 -7.247 -4.427 1.00 21.40 O ATOM 1495 CB ASP A 99 17.882 -9.286 -5.935 1.00 54.14 C ATOM 1496 CG ASP A 99 18.640 -8.045 -5.560 1.00 63.21 C ATOM 1497 OD1 ASP A 99 19.189 -7.980 -4.453 1.00 30.42 O ATOM 1498 OD2 ASP A 99 18.693 -7.105 -6.372 1.00 51.40 O ATOM 0 H ASP A 99 16.348 -11.125 -6.421 1.00 21.23 H new ATOM 0 HA ASP A 99 16.629 -9.561 -4.199 1.00 12.03 H new ATOM 0 HB2 ASP A 99 18.473 -10.161 -5.663 1.00 54.14 H new ATOM 0 HB3 ASP A 99 17.753 -9.312 -7.017 1.00 54.14 H new ATOM 1503 N ARG A 100 15.107 -7.817 -6.489 1.00 53.20 N ATOM 1504 CA ARG A 100 14.325 -6.598 -6.659 1.00 63.11 C ATOM 1505 C ARG A 100 13.188 -6.562 -5.642 1.00 64.35 C ATOM 1506 O ARG A 100 12.979 -5.564 -4.962 1.00 71.21 O ATOM 1507 CB ARG A 100 13.741 -6.514 -8.060 1.00 42.54 C ATOM 1508 CG ARG A 100 14.741 -6.378 -9.200 1.00 40.52 C ATOM 1509 CD ARG A 100 15.462 -5.051 -9.129 1.00 1.43 C ATOM 1510 NE ARG A 100 16.314 -4.804 -10.293 1.00 5.13 N ATOM 1511 CZ ARG A 100 16.457 -3.600 -10.873 1.00 64.23 C ATOM 1512 NH1 ARG A 100 15.805 -2.543 -10.392 1.00 25.15 N ATOM 1513 NH2 ARG A 100 17.249 -3.453 -11.924 1.00 24.13 N ATOM 0 H ARG A 100 15.092 -8.448 -7.290 1.00 53.20 H new ATOM 0 HA ARG A 100 14.990 -5.749 -6.504 1.00 63.11 H new ATOM 0 HB2 ARG A 100 13.142 -7.408 -8.235 1.00 42.54 H new ATOM 0 HB3 ARG A 100 13.062 -5.662 -8.097 1.00 42.54 H new ATOM 0 HG2 ARG A 100 15.464 -7.192 -9.154 1.00 40.52 H new ATOM 0 HG3 ARG A 100 14.224 -6.465 -10.155 1.00 40.52 H new ATOM 0 HD2 ARG A 100 14.729 -4.249 -9.045 1.00 1.43 H new ATOM 0 HD3 ARG A 100 16.072 -5.022 -8.226 1.00 1.43 H new ATOM 0 HE ARG A 100 16.829 -5.591 -10.687 1.00 5.13 H new ATOM 0 HH11 ARG A 100 15.195 -2.646 -9.581 1.00 25.15 H new ATOM 0 HH12 ARG A 100 15.916 -1.631 -10.835 1.00 25.15 H new ATOM 0 HH21 ARG A 100 17.755 -4.256 -12.298 1.00 24.13 H new ATOM 0 HH22 ARG A 100 17.353 -2.537 -12.360 1.00 24.13 H new ATOM 1527 N TYR A 101 12.479 -7.672 -5.525 1.00 61.24 N ATOM 1528 CA TYR A 101 11.364 -7.765 -4.608 1.00 60.24 C ATOM 1529 C TYR A 101 11.821 -7.713 -3.155 1.00 14.10 C ATOM 1530 O TYR A 101 11.192 -7.049 -2.333 1.00 44.22 O ATOM 1531 CB TYR A 101 10.518 -9.009 -4.876 1.00 61.45 C ATOM 1532 CG TYR A 101 9.453 -9.246 -3.834 1.00 74.13 C ATOM 1533 CD1 TYR A 101 8.357 -8.406 -3.725 1.00 54.23 C ATOM 1534 CD2 TYR A 101 9.572 -10.290 -2.934 1.00 42.45 C ATOM 1535 CE1 TYR A 101 7.402 -8.603 -2.753 1.00 31.22 C ATOM 1536 CE2 TYR A 101 8.626 -10.492 -1.952 1.00 3.43 C ATOM 1537 CZ TYR A 101 7.540 -9.644 -1.869 1.00 73.14 C ATOM 1538 OH TYR A 101 6.599 -9.832 -0.888 1.00 74.15 O ATOM 0 H TYR A 101 12.660 -8.523 -6.058 1.00 61.24 H new ATOM 0 HA TYR A 101 10.734 -6.893 -4.784 1.00 60.24 H new ATOM 0 HB2 TYR A 101 10.045 -8.914 -5.853 1.00 61.45 H new ATOM 0 HB3 TYR A 101 11.171 -9.880 -4.922 1.00 61.45 H new ATOM 0 HD1 TYR A 101 8.250 -7.582 -4.415 1.00 54.23 H new ATOM 0 HD2 TYR A 101 10.419 -10.957 -3.002 1.00 42.45 H new ATOM 0 HE1 TYR A 101 6.550 -7.943 -2.687 1.00 31.22 H new ATOM 0 HE2 TYR A 101 8.734 -11.308 -1.253 1.00 3.43 H new ATOM 0 HH TYR A 101 6.842 -10.612 -0.346 1.00 74.15 H new ATOM 1548 N TYR A 102 12.912 -8.402 -2.836 1.00 71.44 N ATOM 1549 CA TYR A 102 13.445 -8.378 -1.472 1.00 30.13 C ATOM 1550 C TYR A 102 13.763 -6.981 -1.008 1.00 12.23 C ATOM 1551 O TYR A 102 13.530 -6.650 0.145 1.00 72.31 O ATOM 1552 CB TYR A 102 14.630 -9.311 -1.277 1.00 4.01 C ATOM 1553 CG TYR A 102 14.231 -10.753 -1.292 1.00 53.23 C ATOM 1554 CD1 TYR A 102 13.735 -11.358 -0.156 1.00 52.21 C ATOM 1555 CD2 TYR A 102 14.336 -11.498 -2.431 1.00 74.55 C ATOM 1556 CE1 TYR A 102 13.352 -12.676 -0.166 1.00 42.21 C ATOM 1557 CE2 TYR A 102 13.960 -12.819 -2.468 1.00 51.53 C ATOM 1558 CZ TYR A 102 13.465 -13.407 -1.329 1.00 24.40 C ATOM 1559 OH TYR A 102 13.086 -14.735 -1.346 1.00 74.52 O ATOM 0 H TYR A 102 13.441 -8.978 -3.491 1.00 71.44 H new ATOM 0 HA TYR A 102 12.644 -8.759 -0.839 1.00 30.13 H new ATOM 0 HB2 TYR A 102 15.363 -9.132 -2.064 1.00 4.01 H new ATOM 0 HB3 TYR A 102 15.117 -9.082 -0.329 1.00 4.01 H new ATOM 0 HD1 TYR A 102 13.647 -10.786 0.756 1.00 52.21 H new ATOM 0 HD2 TYR A 102 14.725 -11.037 -3.327 1.00 74.55 H new ATOM 0 HE1 TYR A 102 12.965 -13.137 0.731 1.00 42.21 H new ATOM 0 HE2 TYR A 102 14.052 -13.388 -3.381 1.00 51.53 H new ATOM 0 HH TYR A 102 13.228 -15.104 -2.243 1.00 74.52 H new ATOM 1569 N LYS A 103 14.291 -6.166 -1.890 1.00 53.42 N ATOM 1570 CA LYS A 103 14.491 -4.766 -1.576 1.00 45.33 C ATOM 1571 C LYS A 103 13.172 -4.016 -1.493 1.00 73.53 C ATOM 1572 O LYS A 103 12.944 -3.300 -0.545 1.00 60.24 O ATOM 1573 CB LYS A 103 15.446 -4.068 -2.545 1.00 4.54 C ATOM 1574 CG LYS A 103 16.933 -4.239 -2.237 1.00 10.13 C ATOM 1575 CD LYS A 103 17.418 -5.673 -2.262 1.00 13.33 C ATOM 1576 CE LYS A 103 18.896 -5.732 -1.924 1.00 21.44 C ATOM 1577 NZ LYS A 103 19.427 -7.100 -1.987 1.00 70.12 N ATOM 0 H LYS A 103 14.589 -6.443 -2.825 1.00 53.42 H new ATOM 0 HA LYS A 103 14.962 -4.746 -0.593 1.00 45.33 H new ATOM 0 HB2 LYS A 103 15.255 -4.443 -3.550 1.00 4.54 H new ATOM 0 HB3 LYS A 103 15.214 -3.003 -2.553 1.00 4.54 H new ATOM 0 HG2 LYS A 103 17.510 -3.661 -2.959 1.00 10.13 H new ATOM 0 HG3 LYS A 103 17.138 -3.816 -1.254 1.00 10.13 H new ATOM 0 HD2 LYS A 103 16.850 -6.269 -1.548 1.00 13.33 H new ATOM 0 HD3 LYS A 103 17.245 -6.106 -3.247 1.00 13.33 H new ATOM 0 HE2 LYS A 103 19.450 -5.097 -2.615 1.00 21.44 H new ATOM 0 HE3 LYS A 103 19.054 -5.329 -0.924 1.00 21.44 H new ATOM 0 HZ1 LYS A 103 20.458 -7.079 -1.849 1.00 70.12 H new ATOM 0 HZ2 LYS A 103 18.989 -7.677 -1.241 1.00 70.12 H new ATOM 0 HZ3 LYS A 103 19.211 -7.514 -2.916 1.00 70.12 H new ATOM 1591 N ALA A 104 12.300 -4.224 -2.472 1.00 13.13 N ATOM 1592 CA ALA A 104 11.009 -3.533 -2.533 1.00 44.31 C ATOM 1593 C ALA A 104 10.172 -3.769 -1.268 1.00 53.35 C ATOM 1594 O ALA A 104 9.666 -2.828 -0.661 1.00 2.12 O ATOM 1595 CB ALA A 104 10.245 -3.974 -3.759 1.00 73.32 C ATOM 0 H ALA A 104 12.462 -4.871 -3.243 1.00 13.13 H new ATOM 0 HA ALA A 104 11.208 -2.463 -2.596 1.00 44.31 H new ATOM 0 HB1 ALA A 104 9.287 -3.456 -3.797 1.00 73.32 H new ATOM 0 HB2 ALA A 104 10.822 -3.735 -4.653 1.00 73.32 H new ATOM 0 HB3 ALA A 104 10.074 -5.050 -3.714 1.00 73.32 H new ATOM 1601 N GLU A 105 10.055 -5.019 -0.873 1.00 22.24 N ATOM 1602 CA GLU A 105 9.310 -5.405 0.310 1.00 73.41 C ATOM 1603 C GLU A 105 9.992 -4.874 1.584 1.00 22.23 C ATOM 1604 O GLU A 105 9.330 -4.416 2.515 1.00 54.12 O ATOM 1605 CB GLU A 105 9.081 -6.941 0.274 1.00 11.33 C ATOM 1606 CG GLU A 105 8.448 -7.592 1.496 1.00 52.53 C ATOM 1607 CD GLU A 105 9.458 -7.934 2.560 1.00 10.54 C ATOM 1608 OE1 GLU A 105 10.259 -8.863 2.341 1.00 74.04 O ATOM 1609 OE2 GLU A 105 9.499 -7.292 3.600 1.00 0.04 O ATOM 0 H GLU A 105 10.478 -5.804 -1.368 1.00 22.24 H new ATOM 0 HA GLU A 105 8.322 -4.944 0.324 1.00 73.41 H new ATOM 0 HB2 GLU A 105 8.454 -7.166 -0.588 1.00 11.33 H new ATOM 0 HB3 GLU A 105 10.045 -7.420 0.101 1.00 11.33 H new ATOM 0 HG2 GLU A 105 7.699 -6.919 1.914 1.00 52.53 H new ATOM 0 HG3 GLU A 105 7.927 -8.499 1.190 1.00 52.53 H new ATOM 1616 N ASP A 106 11.315 -4.862 1.566 1.00 4.24 N ATOM 1617 CA ASP A 106 12.131 -4.325 2.677 1.00 53.34 C ATOM 1618 C ASP A 106 11.924 -2.818 2.790 1.00 15.53 C ATOM 1619 O ASP A 106 12.099 -2.222 3.839 1.00 75.52 O ATOM 1620 CB ASP A 106 13.608 -4.613 2.413 1.00 20.11 C ATOM 1621 CG ASP A 106 14.539 -4.148 3.513 1.00 32.34 C ATOM 1622 OD1 ASP A 106 14.767 -4.914 4.470 1.00 74.13 O ATOM 1623 OD2 ASP A 106 15.094 -3.039 3.416 1.00 62.41 O ATOM 0 H ASP A 106 11.867 -5.221 0.787 1.00 4.24 H new ATOM 0 HA ASP A 106 11.825 -4.803 3.608 1.00 53.34 H new ATOM 0 HB2 ASP A 106 13.738 -5.686 2.273 1.00 20.11 H new ATOM 0 HB3 ASP A 106 13.899 -4.132 1.479 1.00 20.11 H new ATOM 1628 N ASN A 107 11.550 -2.217 1.704 1.00 1.20 N ATOM 1629 CA ASN A 107 11.300 -0.803 1.679 1.00 11.44 C ATOM 1630 C ASN A 107 9.907 -0.517 2.169 1.00 34.21 C ATOM 1631 O ASN A 107 9.651 0.529 2.791 1.00 63.52 O ATOM 1632 CB ASN A 107 11.502 -0.228 0.285 1.00 41.12 C ATOM 1633 CG ASN A 107 12.941 -0.314 -0.211 1.00 15.25 C ATOM 1634 OD1 ASN A 107 13.889 -0.277 0.575 1.00 54.14 O ATOM 1635 ND2 ASN A 107 13.119 -0.413 -1.516 1.00 1.13 N ATOM 0 H ASN A 107 11.409 -2.688 0.810 1.00 1.20 H new ATOM 0 HA ASN A 107 12.017 -0.321 2.343 1.00 11.44 H new ATOM 0 HB2 ASN A 107 10.854 -0.757 -0.414 1.00 41.12 H new ATOM 0 HB3 ASN A 107 11.188 0.816 0.283 1.00 41.12 H new ATOM 0 HD21 ASN A 107 14.063 -0.461 -1.900 1.00 1.13 H new ATOM 0 HD22 ASN A 107 12.313 -0.441 -2.140 1.00 1.13 H new ATOM 1642 N ALA A 108 9.010 -1.449 1.916 1.00 61.41 N ATOM 1643 CA ALA A 108 7.644 -1.322 2.328 1.00 41.12 C ATOM 1644 C ALA A 108 7.509 -1.406 3.844 1.00 34.43 C ATOM 1645 O ALA A 108 6.692 -0.702 4.415 1.00 21.42 O ATOM 1646 CB ALA A 108 6.766 -2.356 1.633 1.00 51.34 C ATOM 0 H ALA A 108 9.218 -2.314 1.417 1.00 61.41 H new ATOM 0 HA ALA A 108 7.297 -0.334 2.026 1.00 41.12 H new ATOM 0 HB1 ALA A 108 5.734 -2.238 1.963 1.00 51.34 H new ATOM 0 HB2 ALA A 108 6.820 -2.213 0.554 1.00 51.34 H new ATOM 0 HB3 ALA A 108 7.115 -3.358 1.884 1.00 51.34 H new ATOM 1652 N VAL A 109 8.345 -2.241 4.503 1.00 65.40 N ATOM 1653 CA VAL A 109 8.277 -2.392 5.968 1.00 11.10 C ATOM 1654 C VAL A 109 8.414 -1.040 6.681 1.00 64.43 C ATOM 1655 O VAL A 109 7.702 -0.757 7.634 1.00 71.30 O ATOM 1656 CB VAL A 109 9.323 -3.404 6.541 1.00 50.11 C ATOM 1657 CG1 VAL A 109 9.163 -4.772 5.934 1.00 44.00 C ATOM 1658 CG2 VAL A 109 10.751 -2.926 6.404 1.00 63.22 C ATOM 0 H VAL A 109 9.061 -2.809 4.050 1.00 65.40 H new ATOM 0 HA VAL A 109 7.289 -2.806 6.168 1.00 11.10 H new ATOM 0 HB VAL A 109 9.113 -3.471 7.608 1.00 50.11 H new ATOM 0 HG11 VAL A 109 9.907 -5.447 6.357 1.00 44.00 H new ATOM 0 HG12 VAL A 109 8.164 -5.151 6.150 1.00 44.00 H new ATOM 0 HG13 VAL A 109 9.302 -4.710 4.855 1.00 44.00 H new ATOM 0 HG21 VAL A 109 11.426 -3.673 6.820 1.00 63.22 H new ATOM 0 HG22 VAL A 109 10.984 -2.773 5.350 1.00 63.22 H new ATOM 0 HG23 VAL A 109 10.873 -1.986 6.942 1.00 63.22 H new ATOM 1668 N ASP A 110 9.312 -0.221 6.180 1.00 52.34 N ATOM 1669 CA ASP A 110 9.564 1.112 6.693 1.00 40.41 C ATOM 1670 C ASP A 110 8.417 2.032 6.439 1.00 54.43 C ATOM 1671 O ASP A 110 7.958 2.714 7.353 1.00 42.40 O ATOM 1672 CB ASP A 110 10.795 1.663 6.021 1.00 41.24 C ATOM 1673 CG ASP A 110 11.020 3.149 6.267 1.00 3.35 C ATOM 1674 OD1 ASP A 110 11.489 3.532 7.344 1.00 21.34 O ATOM 1675 OD2 ASP A 110 10.740 3.946 5.349 1.00 4.44 O ATOM 0 H ASP A 110 9.903 -0.467 5.386 1.00 52.34 H new ATOM 0 HA ASP A 110 9.704 1.042 7.772 1.00 40.41 H new ATOM 0 HB2 ASP A 110 11.667 1.111 6.372 1.00 41.24 H new ATOM 0 HB3 ASP A 110 10.719 1.490 4.948 1.00 41.24 H new ATOM 1680 N VAL A 111 7.913 2.012 5.218 1.00 11.24 N ATOM 1681 CA VAL A 111 6.825 2.887 4.841 1.00 45.40 C ATOM 1682 C VAL A 111 5.601 2.563 5.658 1.00 52.31 C ATOM 1683 O VAL A 111 4.942 3.457 6.179 1.00 34.10 O ATOM 1684 CB VAL A 111 6.500 2.802 3.319 1.00 11.22 C ATOM 1685 CG1 VAL A 111 5.329 3.710 2.955 1.00 31.02 C ATOM 1686 CG2 VAL A 111 7.718 3.180 2.502 1.00 53.31 C ATOM 0 H VAL A 111 8.242 1.398 4.473 1.00 11.24 H new ATOM 0 HA VAL A 111 7.139 3.911 5.044 1.00 45.40 H new ATOM 0 HB VAL A 111 6.219 1.773 3.092 1.00 11.22 H new ATOM 0 HG11 VAL A 111 5.125 3.630 1.887 1.00 31.02 H new ATOM 0 HG12 VAL A 111 4.445 3.407 3.517 1.00 31.02 H new ATOM 0 HG13 VAL A 111 5.579 4.742 3.200 1.00 31.02 H new ATOM 0 HG21 VAL A 111 7.478 3.117 1.441 1.00 53.31 H new ATOM 0 HG22 VAL A 111 8.018 4.199 2.746 1.00 53.31 H new ATOM 0 HG23 VAL A 111 8.536 2.497 2.731 1.00 53.31 H new ATOM 1696 N VAL A 112 5.352 1.280 5.846 1.00 33.35 N ATOM 1697 CA VAL A 112 4.162 0.856 6.567 1.00 1.13 C ATOM 1698 C VAL A 112 4.313 1.199 8.049 1.00 23.33 C ATOM 1699 O VAL A 112 3.376 1.679 8.688 1.00 2.20 O ATOM 1700 CB VAL A 112 3.840 -0.659 6.360 1.00 2.20 C ATOM 1701 CG1 VAL A 112 2.586 -1.059 7.122 1.00 12.23 C ATOM 1702 CG2 VAL A 112 3.650 -0.968 4.885 1.00 30.13 C ATOM 0 H VAL A 112 5.948 0.521 5.515 1.00 33.35 H new ATOM 0 HA VAL A 112 3.310 1.400 6.158 1.00 1.13 H new ATOM 0 HB VAL A 112 4.685 -1.231 6.744 1.00 2.20 H new ATOM 0 HG11 VAL A 112 2.385 -2.118 6.961 1.00 12.23 H new ATOM 0 HG12 VAL A 112 2.733 -0.876 8.186 1.00 12.23 H new ATOM 0 HG13 VAL A 112 1.741 -0.471 6.766 1.00 12.23 H new ATOM 0 HG21 VAL A 112 3.427 -2.028 4.761 1.00 30.13 H new ATOM 0 HG22 VAL A 112 2.824 -0.375 4.492 1.00 30.13 H new ATOM 0 HG23 VAL A 112 4.563 -0.724 4.342 1.00 30.13 H new ATOM 1712 N ARG A 113 5.518 1.004 8.563 1.00 44.00 N ATOM 1713 CA ARG A 113 5.874 1.339 9.919 1.00 64.34 C ATOM 1714 C ARG A 113 5.605 2.821 10.202 1.00 23.01 C ATOM 1715 O ARG A 113 4.969 3.174 11.203 1.00 31.11 O ATOM 1716 CB ARG A 113 7.343 1.042 10.076 1.00 53.43 C ATOM 1717 CG ARG A 113 7.929 1.348 11.394 1.00 63.12 C ATOM 1718 CD ARG A 113 9.376 0.973 11.383 1.00 13.20 C ATOM 1719 NE ARG A 113 10.200 1.781 10.465 1.00 71.04 N ATOM 1720 CZ ARG A 113 11.546 1.745 10.450 1.00 74.41 C ATOM 1721 NH1 ARG A 113 12.203 0.996 11.321 1.00 0.23 N ATOM 1722 NH2 ARG A 113 12.229 2.438 9.564 1.00 64.55 N ATOM 0 H ARG A 113 6.288 0.599 8.030 1.00 44.00 H new ATOM 0 HA ARG A 113 5.278 0.759 10.623 1.00 64.34 H new ATOM 0 HB2 ARG A 113 7.504 -0.015 9.866 1.00 53.43 H new ATOM 0 HB3 ARG A 113 7.890 1.604 9.319 1.00 53.43 H new ATOM 0 HG2 ARG A 113 7.817 2.409 11.619 1.00 63.12 H new ATOM 0 HG3 ARG A 113 7.404 0.799 12.176 1.00 63.12 H new ATOM 0 HD2 ARG A 113 9.774 1.071 12.393 1.00 13.20 H new ATOM 0 HD3 ARG A 113 9.466 -0.077 11.106 1.00 13.20 H new ATOM 0 HE ARG A 113 9.726 2.399 9.807 1.00 71.04 H new ATOM 0 HH11 ARG A 113 11.690 0.443 12.007 1.00 0.23 H new ATOM 0 HH12 ARG A 113 13.223 0.972 11.306 1.00 0.23 H new ATOM 0 HH21 ARG A 113 11.739 3.012 8.877 1.00 64.55 H new ATOM 0 HH22 ARG A 113 13.248 2.402 9.564 1.00 64.55 H new ATOM 1736 N GLN A 114 6.071 3.678 9.302 1.00 54.31 N ATOM 1737 CA GLN A 114 5.901 5.114 9.446 1.00 71.34 C ATOM 1738 C GLN A 114 4.425 5.491 9.415 1.00 2.23 C ATOM 1739 O GLN A 114 3.984 6.330 10.181 1.00 72.20 O ATOM 1740 CB GLN A 114 6.672 5.865 8.355 1.00 12.42 C ATOM 1741 CG GLN A 114 8.177 5.649 8.347 1.00 74.32 C ATOM 1742 CD GLN A 114 8.911 6.445 9.392 1.00 13.02 C ATOM 1743 OE1 GLN A 114 10.073 6.792 9.215 1.00 0.51 O ATOM 1744 NE2 GLN A 114 8.254 6.798 10.445 1.00 42.34 N ATOM 0 H GLN A 114 6.573 3.398 8.459 1.00 54.31 H new ATOM 0 HA GLN A 114 6.307 5.406 10.414 1.00 71.34 H new ATOM 0 HB2 GLN A 114 6.275 5.567 7.384 1.00 12.42 H new ATOM 0 HB3 GLN A 114 6.477 6.932 8.466 1.00 12.42 H new ATOM 0 HG2 GLN A 114 8.383 4.590 8.499 1.00 74.32 H new ATOM 0 HG3 GLN A 114 8.567 5.911 7.364 1.00 74.32 H new ATOM 0 HE21 GLN A 114 7.288 6.496 10.568 1.00 42.34 H new ATOM 0 HE22 GLN A 114 8.701 7.379 11.154 1.00 42.34 H new ATOM 1753 N LEU A 115 3.674 4.845 8.546 1.00 40.05 N ATOM 1754 CA LEU A 115 2.254 5.076 8.408 1.00 14.41 C ATOM 1755 C LEU A 115 1.532 4.717 9.687 1.00 61.53 C ATOM 1756 O LEU A 115 0.670 5.451 10.148 1.00 13.23 O ATOM 1757 CB LEU A 115 1.704 4.252 7.252 1.00 62.32 C ATOM 1758 CG LEU A 115 2.259 4.578 5.872 1.00 71.51 C ATOM 1759 CD1 LEU A 115 1.729 3.620 4.836 1.00 12.34 C ATOM 1760 CD2 LEU A 115 1.970 6.012 5.499 1.00 12.02 C ATOM 0 H LEU A 115 4.039 4.137 7.909 1.00 40.05 H new ATOM 0 HA LEU A 115 2.092 6.134 8.203 1.00 14.41 H new ATOM 0 HB2 LEU A 115 1.897 3.199 7.459 1.00 62.32 H new ATOM 0 HB3 LEU A 115 0.622 4.379 7.225 1.00 62.32 H new ATOM 0 HG LEU A 115 3.342 4.458 5.906 1.00 71.51 H new ATOM 0 HD11 LEU A 115 2.141 3.875 3.860 1.00 12.34 H new ATOM 0 HD12 LEU A 115 2.020 2.603 5.098 1.00 12.34 H new ATOM 0 HD13 LEU A 115 0.642 3.688 4.800 1.00 12.34 H new ATOM 0 HD21 LEU A 115 2.377 6.220 4.509 1.00 12.02 H new ATOM 0 HD22 LEU A 115 0.892 6.176 5.490 1.00 12.02 H new ATOM 0 HD23 LEU A 115 2.432 6.678 6.228 1.00 12.02 H new ATOM 1772 N MET A 116 1.911 3.602 10.274 1.00 20.10 N ATOM 1773 CA MET A 116 1.305 3.154 11.511 1.00 25.20 C ATOM 1774 C MET A 116 1.621 4.112 12.642 1.00 5.34 C ATOM 1775 O MET A 116 0.764 4.399 13.470 1.00 60.23 O ATOM 1776 CB MET A 116 1.714 1.725 11.891 1.00 21.33 C ATOM 1777 CG MET A 116 1.350 0.662 10.862 1.00 10.12 C ATOM 1778 SD MET A 116 1.566 -1.027 11.477 1.00 40.24 S ATOM 1779 CE MET A 116 3.260 -0.988 12.055 1.00 10.44 C ATOM 0 H MET A 116 2.639 2.986 9.913 1.00 20.10 H new ATOM 0 HA MET A 116 0.228 3.142 11.342 1.00 25.20 H new ATOM 0 HB2 MET A 116 2.792 1.701 12.052 1.00 21.33 H new ATOM 0 HB3 MET A 116 1.244 1.468 12.840 1.00 21.33 H new ATOM 0 HG2 MET A 116 0.313 0.801 10.556 1.00 10.12 H new ATOM 0 HG3 MET A 116 1.965 0.800 9.973 1.00 10.12 H new ATOM 0 HE1 MET A 116 3.569 -1.992 12.345 1.00 10.44 H new ATOM 0 HE2 MET A 116 3.908 -0.625 11.257 1.00 10.44 H new ATOM 0 HE3 MET A 116 3.336 -0.323 12.915 1.00 10.44 H new ATOM 1789 N SER A 117 2.832 4.614 12.671 1.00 22.32 N ATOM 1790 CA SER A 117 3.229 5.567 13.688 1.00 25.04 C ATOM 1791 C SER A 117 2.575 6.954 13.473 1.00 1.45 C ATOM 1792 O SER A 117 2.027 7.538 14.411 1.00 21.40 O ATOM 1793 CB SER A 117 4.754 5.656 13.761 1.00 12.04 C ATOM 1794 OG SER A 117 5.318 4.394 14.122 1.00 64.25 O ATOM 0 H SER A 117 3.564 4.380 12.001 1.00 22.32 H new ATOM 0 HA SER A 117 2.864 5.207 14.650 1.00 25.04 H new ATOM 0 HB2 SER A 117 5.151 5.975 12.797 1.00 12.04 H new ATOM 0 HB3 SER A 117 5.044 6.412 14.491 1.00 12.04 H new ATOM 0 HG SER A 117 5.306 3.796 13.345 1.00 64.25 H new ATOM 1800 N MET A 118 2.597 7.451 12.239 1.00 31.44 N ATOM 1801 CA MET A 118 2.024 8.767 11.928 1.00 31.53 C ATOM 1802 C MET A 118 0.508 8.762 11.961 1.00 73.43 C ATOM 1803 O MET A 118 -0.107 9.693 12.465 1.00 35.32 O ATOM 1804 CB MET A 118 2.480 9.292 10.555 1.00 32.52 C ATOM 1805 CG MET A 118 3.960 9.592 10.430 1.00 43.24 C ATOM 1806 SD MET A 118 4.402 10.272 8.805 1.00 14.11 S ATOM 1807 CE MET A 118 3.941 8.926 7.713 1.00 2.44 C ATOM 0 H MET A 118 3.003 6.968 11.438 1.00 31.44 H new ATOM 0 HA MET A 118 2.396 9.430 12.710 1.00 31.53 H new ATOM 0 HB2 MET A 118 2.211 8.557 9.797 1.00 32.52 H new ATOM 0 HB3 MET A 118 1.922 10.201 10.330 1.00 32.52 H new ATOM 0 HG2 MET A 118 4.250 10.300 11.207 1.00 43.24 H new ATOM 0 HG3 MET A 118 4.528 8.678 10.604 1.00 43.24 H new ATOM 0 HE1 MET A 118 4.741 8.750 6.994 1.00 2.44 H new ATOM 0 HE2 MET A 118 3.775 8.022 8.299 1.00 2.44 H new ATOM 0 HE3 MET A 118 3.026 9.186 7.181 1.00 2.44 H new ATOM 1817 N TYR A 119 -0.098 7.731 11.421 1.00 42.43 N ATOM 1818 CA TYR A 119 -1.554 7.697 11.304 1.00 74.11 C ATOM 1819 C TYR A 119 -2.244 6.878 12.366 1.00 63.41 C ATOM 1820 O TYR A 119 -3.478 6.812 12.386 1.00 31.32 O ATOM 1821 CB TYR A 119 -1.964 7.260 9.907 1.00 4.02 C ATOM 1822 CG TYR A 119 -1.569 8.281 8.866 1.00 33.02 C ATOM 1823 CD1 TYR A 119 -0.333 8.240 8.235 1.00 5.40 C ATOM 1824 CD2 TYR A 119 -2.431 9.311 8.543 1.00 64.03 C ATOM 1825 CE1 TYR A 119 0.021 9.201 7.310 1.00 41.31 C ATOM 1826 CE2 TYR A 119 -2.087 10.273 7.632 1.00 31.24 C ATOM 1827 CZ TYR A 119 -0.863 10.218 7.015 1.00 12.43 C ATOM 1828 OH TYR A 119 -0.513 11.196 6.111 1.00 1.25 O ATOM 0 H TYR A 119 0.380 6.907 11.056 1.00 42.43 H new ATOM 0 HA TYR A 119 -1.895 8.718 11.475 1.00 74.11 H new ATOM 0 HB2 TYR A 119 -1.498 6.303 9.673 1.00 4.02 H new ATOM 0 HB3 TYR A 119 -3.043 7.106 9.875 1.00 4.02 H new ATOM 0 HD1 TYR A 119 0.360 7.446 8.471 1.00 5.40 H new ATOM 0 HD2 TYR A 119 -3.399 9.358 9.020 1.00 64.03 H new ATOM 0 HE1 TYR A 119 0.983 9.157 6.821 1.00 41.31 H new ATOM 0 HE2 TYR A 119 -2.776 11.072 7.400 1.00 31.24 H new ATOM 0 HH TYR A 119 -1.250 11.835 6.018 1.00 1.25 H new ATOM 1838 N ASN A 120 -1.462 6.265 13.240 1.00 31.13 N ATOM 1839 CA ASN A 120 -1.981 5.461 14.356 1.00 60.42 C ATOM 1840 C ASN A 120 -2.803 4.295 13.856 1.00 2.43 C ATOM 1841 O ASN A 120 -4.037 4.271 13.958 1.00 52.35 O ATOM 1842 CB ASN A 120 -2.755 6.288 15.405 1.00 31.04 C ATOM 1843 CG ASN A 120 -1.905 7.345 16.091 1.00 33.23 C ATOM 1844 OD1 ASN A 120 -1.811 8.492 15.623 1.00 21.54 O ATOM 1845 ND2 ASN A 120 -1.284 6.985 17.191 1.00 42.53 N ATOM 0 H ASN A 120 -0.443 6.306 13.203 1.00 31.13 H new ATOM 0 HA ASN A 120 -1.107 5.068 14.875 1.00 60.42 H new ATOM 0 HB2 ASN A 120 -3.603 6.773 14.921 1.00 31.04 H new ATOM 0 HB3 ASN A 120 -3.162 5.614 16.159 1.00 31.04 H new ATOM 0 HD21 ASN A 120 -0.701 7.657 17.691 1.00 42.53 H new ATOM 0 HD22 ASN A 120 -1.385 6.034 17.546 1.00 42.53 H new ATOM 1852 N ILE A 121 -2.119 3.391 13.227 1.00 3.44 N ATOM 1853 CA ILE A 121 -2.697 2.189 12.696 1.00 14.50 C ATOM 1854 C ILE A 121 -1.998 1.002 13.348 1.00 65.25 C ATOM 1855 O ILE A 121 -0.781 1.006 13.472 1.00 32.11 O ATOM 1856 CB ILE A 121 -2.478 2.134 11.153 1.00 44.50 C ATOM 1857 CG1 ILE A 121 -3.138 3.349 10.483 1.00 14.00 C ATOM 1858 CG2 ILE A 121 -3.014 0.829 10.561 1.00 0.23 C ATOM 1859 CD1 ILE A 121 -2.849 3.471 9.001 1.00 63.31 C ATOM 0 H ILE A 121 -1.115 3.468 13.062 1.00 3.44 H new ATOM 0 HA ILE A 121 -3.767 2.164 12.901 1.00 14.50 H new ATOM 0 HB ILE A 121 -1.406 2.165 10.959 1.00 44.50 H new ATOM 0 HG12 ILE A 121 -4.217 3.289 10.628 1.00 14.00 H new ATOM 0 HG13 ILE A 121 -2.799 4.256 10.984 1.00 14.00 H new ATOM 0 HG21 ILE A 121 -2.846 0.822 9.484 1.00 0.23 H new ATOM 0 HG22 ILE A 121 -2.496 -0.016 11.015 1.00 0.23 H new ATOM 0 HG23 ILE A 121 -4.082 0.750 10.762 1.00 0.23 H new ATOM 0 HD11 ILE A 121 -3.351 4.353 8.604 1.00 63.31 H new ATOM 0 HD12 ILE A 121 -1.774 3.564 8.846 1.00 63.31 H new ATOM 0 HD13 ILE A 121 -3.214 2.583 8.485 1.00 63.31 H new ATOM 1871 N PRO A 122 -2.738 0.020 13.841 1.00 54.13 N ATOM 1872 CA PRO A 122 -2.141 -1.180 14.379 1.00 41.14 C ATOM 1873 C PRO A 122 -1.766 -2.159 13.266 1.00 30.53 C ATOM 1874 O PRO A 122 -2.381 -2.165 12.192 1.00 21.42 O ATOM 1875 CB PRO A 122 -3.216 -1.769 15.292 1.00 3.21 C ATOM 1876 CG PRO A 122 -4.505 -1.087 14.936 1.00 74.01 C ATOM 1877 CD PRO A 122 -4.199 0.010 13.941 1.00 72.44 C ATOM 0 HA PRO A 122 -1.214 -0.973 14.914 1.00 41.14 H new ATOM 0 HB2 PRO A 122 -3.296 -2.847 15.150 1.00 3.21 H new ATOM 0 HB3 PRO A 122 -2.967 -1.603 16.340 1.00 3.21 H new ATOM 0 HG2 PRO A 122 -5.208 -1.802 14.509 1.00 74.01 H new ATOM 0 HG3 PRO A 122 -4.974 -0.672 15.828 1.00 74.01 H new ATOM 0 HD2 PRO A 122 -4.661 -0.191 12.975 1.00 72.44 H new ATOM 0 HD3 PRO A 122 -4.580 0.973 14.282 1.00 72.44 H new ATOM 1885 N ILE A 123 -0.776 -2.982 13.534 1.00 51.42 N ATOM 1886 CA ILE A 123 -0.235 -3.934 12.562 1.00 62.05 C ATOM 1887 C ILE A 123 -1.325 -4.919 12.065 1.00 22.14 C ATOM 1888 O ILE A 123 -1.292 -5.384 10.932 1.00 11.41 O ATOM 1889 CB ILE A 123 0.964 -4.722 13.180 1.00 15.31 C ATOM 1890 CG1 ILE A 123 1.696 -5.567 12.130 1.00 14.43 C ATOM 1891 CG2 ILE A 123 0.499 -5.609 14.338 1.00 73.33 C ATOM 1892 CD1 ILE A 123 2.357 -4.764 11.022 1.00 63.24 C ATOM 0 H ILE A 123 -0.312 -3.017 14.442 1.00 51.42 H new ATOM 0 HA ILE A 123 0.119 -3.365 11.703 1.00 62.05 H new ATOM 0 HB ILE A 123 1.666 -3.982 13.563 1.00 15.31 H new ATOM 0 HG12 ILE A 123 2.457 -6.166 12.631 1.00 14.43 H new ATOM 0 HG13 ILE A 123 0.986 -6.263 11.683 1.00 14.43 H new ATOM 0 HG21 ILE A 123 1.353 -6.146 14.750 1.00 73.33 H new ATOM 0 HG22 ILE A 123 0.051 -4.989 15.114 1.00 73.33 H new ATOM 0 HG23 ILE A 123 -0.239 -6.324 13.975 1.00 73.33 H new ATOM 0 HD11 ILE A 123 2.850 -5.442 10.326 1.00 63.24 H new ATOM 0 HD12 ILE A 123 1.601 -4.186 10.491 1.00 63.24 H new ATOM 0 HD13 ILE A 123 3.095 -4.087 11.453 1.00 63.24 H new ATOM 1904 N GLU A 124 -2.312 -5.193 12.913 1.00 61.23 N ATOM 1905 CA GLU A 124 -3.390 -6.106 12.558 1.00 14.41 C ATOM 1906 C GLU A 124 -4.420 -5.437 11.647 1.00 72.30 C ATOM 1907 O GLU A 124 -5.410 -6.052 11.245 1.00 43.31 O ATOM 1908 CB GLU A 124 -4.041 -6.693 13.804 1.00 64.25 C ATOM 1909 CG GLU A 124 -3.099 -7.569 14.612 1.00 62.10 C ATOM 1910 CD GLU A 124 -3.718 -8.087 15.880 1.00 23.12 C ATOM 1911 OE1 GLU A 124 -4.505 -9.042 15.826 1.00 15.11 O ATOM 1912 OE2 GLU A 124 -3.421 -7.545 16.957 1.00 30.23 O ATOM 0 H GLU A 124 -2.386 -4.796 13.849 1.00 61.23 H new ATOM 0 HA GLU A 124 -2.953 -6.929 11.993 1.00 14.41 H new ATOM 0 HB2 GLU A 124 -4.403 -5.881 14.435 1.00 64.25 H new ATOM 0 HB3 GLU A 124 -4.911 -7.280 13.510 1.00 64.25 H new ATOM 0 HG2 GLU A 124 -2.781 -8.412 13.999 1.00 62.10 H new ATOM 0 HG3 GLU A 124 -2.203 -6.999 14.858 1.00 62.10 H new ATOM 1919 N ASN A 125 -4.190 -4.189 11.332 1.00 73.04 N ATOM 1920 CA ASN A 125 -5.029 -3.467 10.398 1.00 61.32 C ATOM 1921 C ASN A 125 -4.430 -3.489 9.022 1.00 5.11 C ATOM 1922 O ASN A 125 -5.006 -2.960 8.065 1.00 52.41 O ATOM 1923 CB ASN A 125 -5.299 -2.044 10.839 1.00 32.53 C ATOM 1924 CG ASN A 125 -6.354 -1.929 11.909 1.00 5.24 C ATOM 1925 OD1 ASN A 125 -6.562 -2.830 12.722 1.00 53.01 O ATOM 1926 ND2 ASN A 125 -7.018 -0.811 11.924 1.00 64.41 N ATOM 0 H ASN A 125 -3.418 -3.641 11.712 1.00 73.04 H new ATOM 0 HA ASN A 125 -5.991 -3.980 10.375 1.00 61.32 H new ATOM 0 HB2 ASN A 125 -4.372 -1.606 11.208 1.00 32.53 H new ATOM 0 HB3 ASN A 125 -5.607 -1.457 9.973 1.00 32.53 H new ATOM 0 HD21 ASN A 125 -7.741 -0.657 12.627 1.00 64.41 H new ATOM 0 HD22 ASN A 125 -6.816 -0.089 11.233 1.00 64.41 H new ATOM 1933 N VAL A 126 -3.270 -4.081 8.915 1.00 74.40 N ATOM 1934 CA VAL A 126 -2.660 -4.278 7.636 1.00 40.30 C ATOM 1935 C VAL A 126 -3.229 -5.581 7.076 1.00 10.35 C ATOM 1936 O VAL A 126 -3.036 -6.652 7.656 1.00 1.41 O ATOM 1937 CB VAL A 126 -1.111 -4.388 7.755 1.00 51.21 C ATOM 1938 CG1 VAL A 126 -0.466 -4.498 6.386 1.00 40.01 C ATOM 1939 CG2 VAL A 126 -0.529 -3.209 8.532 1.00 1.23 C ATOM 0 H VAL A 126 -2.730 -4.435 9.705 1.00 74.40 H new ATOM 0 HA VAL A 126 -2.871 -3.430 6.984 1.00 40.30 H new ATOM 0 HB VAL A 126 -0.888 -5.299 8.311 1.00 51.21 H new ATOM 0 HG11 VAL A 126 0.616 -4.573 6.498 1.00 40.01 H new ATOM 0 HG12 VAL A 126 -0.841 -5.386 5.877 1.00 40.01 H new ATOM 0 HG13 VAL A 126 -0.709 -3.613 5.797 1.00 40.01 H new ATOM 0 HG21 VAL A 126 0.554 -3.315 8.598 1.00 1.23 H new ATOM 0 HG22 VAL A 126 -0.772 -2.279 8.018 1.00 1.23 H new ATOM 0 HG23 VAL A 126 -0.953 -3.190 9.536 1.00 1.23 H new ATOM 1949 N ARG A 127 -3.953 -5.486 5.984 1.00 73.52 N ATOM 1950 CA ARG A 127 -4.613 -6.643 5.397 1.00 1.33 C ATOM 1951 C ARG A 127 -4.373 -6.685 3.895 1.00 60.24 C ATOM 1952 O ARG A 127 -3.868 -5.717 3.310 1.00 23.22 O ATOM 1953 CB ARG A 127 -6.124 -6.624 5.707 1.00 70.14 C ATOM 1954 CG ARG A 127 -6.474 -6.656 7.202 1.00 11.21 C ATOM 1955 CD ARG A 127 -6.026 -7.956 7.865 1.00 34.22 C ATOM 1956 NE ARG A 127 -6.268 -7.949 9.319 1.00 44.33 N ATOM 1957 CZ ARG A 127 -6.356 -9.044 10.100 1.00 2.13 C ATOM 1958 NH1 ARG A 127 -6.359 -10.259 9.565 1.00 71.40 N ATOM 1959 NH2 ARG A 127 -6.471 -8.913 11.407 1.00 60.52 N ATOM 0 H ARG A 127 -4.104 -4.614 5.477 1.00 73.52 H new ATOM 0 HA ARG A 127 -4.187 -7.544 5.839 1.00 1.33 H new ATOM 0 HB2 ARG A 127 -6.560 -5.728 5.265 1.00 70.14 H new ATOM 0 HB3 ARG A 127 -6.592 -7.480 5.220 1.00 70.14 H new ATOM 0 HG2 ARG A 127 -6.001 -5.811 7.703 1.00 11.21 H new ATOM 0 HG3 ARG A 127 -7.551 -6.538 7.325 1.00 11.21 H new ATOM 0 HD2 ARG A 127 -6.557 -8.794 7.414 1.00 34.22 H new ATOM 0 HD3 ARG A 127 -4.964 -8.112 7.675 1.00 34.22 H new ATOM 0 HE ARG A 127 -6.378 -7.041 9.771 1.00 44.33 H new ATOM 0 HH11 ARG A 127 -6.294 -10.371 8.553 1.00 71.40 H new ATOM 0 HH12 ARG A 127 -6.426 -11.081 10.166 1.00 71.40 H new ATOM 0 HH21 ARG A 127 -6.493 -7.983 11.826 1.00 60.52 H new ATOM 0 HH22 ARG A 127 -6.538 -9.741 11.999 1.00 60.52 H new ATOM 1973 N THR A 128 -4.719 -7.786 3.269 1.00 44.52 N ATOM 1974 CA THR A 128 -4.473 -7.944 1.860 1.00 34.44 C ATOM 1975 C THR A 128 -5.721 -7.512 1.076 1.00 12.25 C ATOM 1976 O THR A 128 -6.800 -7.377 1.647 1.00 24.35 O ATOM 1977 CB THR A 128 -4.168 -9.437 1.512 1.00 43.41 C ATOM 1978 OG1 THR A 128 -5.361 -10.200 1.562 1.00 61.21 O ATOM 1979 CG2 THR A 128 -3.187 -10.039 2.510 1.00 63.02 C ATOM 0 H THR A 128 -5.171 -8.584 3.716 1.00 44.52 H new ATOM 0 HA THR A 128 -3.614 -7.329 1.592 1.00 34.44 H new ATOM 0 HB THR A 128 -3.737 -9.461 0.511 1.00 43.41 H new ATOM 0 HG1 THR A 128 -5.623 -10.337 2.496 1.00 61.21 H new ATOM 0 HG21 THR A 128 -2.991 -11.078 2.246 1.00 63.02 H new ATOM 0 HG22 THR A 128 -2.254 -9.477 2.487 1.00 63.02 H new ATOM 0 HG23 THR A 128 -3.613 -9.993 3.512 1.00 63.02 H new ATOM 1987 N HIS A 129 -5.581 -7.327 -0.241 1.00 11.32 N ATOM 1988 CA HIS A 129 -6.733 -6.991 -1.111 1.00 34.30 C ATOM 1989 C HIS A 129 -7.731 -8.178 -1.062 1.00 24.52 C ATOM 1990 O HIS A 129 -8.954 -8.019 -1.210 1.00 73.11 O ATOM 1991 CB HIS A 129 -6.223 -6.756 -2.562 1.00 61.30 C ATOM 1992 CG HIS A 129 -7.228 -6.165 -3.556 1.00 61.21 C ATOM 1993 ND1 HIS A 129 -6.850 -5.445 -4.677 1.00 24.23 N ATOM 1994 CD2 HIS A 129 -8.579 -6.215 -3.611 1.00 65.11 C ATOM 1995 CE1 HIS A 129 -7.912 -5.090 -5.361 1.00 43.52 C ATOM 1996 NE2 HIS A 129 -8.972 -5.546 -4.735 1.00 0.14 N ATOM 0 H HIS A 129 -4.691 -7.402 -0.733 1.00 11.32 H new ATOM 0 HA HIS A 129 -7.232 -6.083 -0.772 1.00 34.30 H new ATOM 0 HB2 HIS A 129 -5.359 -6.093 -2.516 1.00 61.30 H new ATOM 0 HB3 HIS A 129 -5.872 -7.709 -2.958 1.00 61.30 H new ATOM 0 HD2 HIS A 129 -9.229 -6.697 -2.896 1.00 65.11 H new ATOM 0 HE1 HIS A 129 -7.914 -4.522 -6.279 1.00 43.52 H new ATOM 0 HE2 HIS A 129 -9.937 -5.420 -5.040 1.00 0.14 H new ATOM 2004 N GLN A 130 -7.183 -9.347 -0.823 1.00 54.31 N ATOM 2005 CA GLN A 130 -7.930 -10.568 -0.709 1.00 2.24 C ATOM 2006 C GLN A 130 -8.638 -10.703 0.643 1.00 14.15 C ATOM 2007 O GLN A 130 -9.656 -11.375 0.760 1.00 51.41 O ATOM 2008 CB GLN A 130 -7.064 -11.782 -1.102 1.00 61.24 C ATOM 2009 CG GLN A 130 -7.630 -13.118 -0.711 1.00 63.13 C ATOM 2010 CD GLN A 130 -6.944 -14.266 -1.343 1.00 60.52 C ATOM 2011 OE1 GLN A 130 -6.818 -15.331 -0.745 1.00 62.14 O ATOM 2012 NE2 GLN A 130 -6.602 -14.120 -2.566 1.00 1.41 N ATOM 0 H GLN A 130 -6.178 -9.473 -0.700 1.00 54.31 H new ATOM 0 HA GLN A 130 -8.746 -10.535 -1.431 1.00 2.24 H new ATOM 0 HB2 GLN A 130 -6.915 -11.769 -2.182 1.00 61.24 H new ATOM 0 HB3 GLN A 130 -6.081 -11.672 -0.643 1.00 61.24 H new ATOM 0 HG2 GLN A 130 -7.572 -13.224 0.372 1.00 63.13 H new ATOM 0 HG3 GLN A 130 -8.686 -13.147 -0.978 1.00 63.13 H new ATOM 0 HE21 GLN A 130 -6.724 -13.217 -3.025 1.00 1.41 H new ATOM 0 HE22 GLN A 130 -6.207 -14.906 -3.083 1.00 1.41 H new ATOM 2021 N SER A 131 -8.124 -10.025 1.627 1.00 71.43 N ATOM 2022 CA SER A 131 -8.698 -10.049 2.963 1.00 40.31 C ATOM 2023 C SER A 131 -9.987 -9.233 2.993 1.00 4.35 C ATOM 2024 O SER A 131 -10.871 -9.457 3.835 1.00 31.15 O ATOM 2025 CB SER A 131 -7.707 -9.465 3.969 1.00 61.12 C ATOM 2026 OG SER A 131 -6.472 -10.176 3.963 1.00 34.45 O ATOM 0 H SER A 131 -7.296 -9.437 1.538 1.00 71.43 H new ATOM 0 HA SER A 131 -8.918 -11.083 3.230 1.00 40.31 H new ATOM 0 HB2 SER A 131 -7.525 -8.416 3.734 1.00 61.12 H new ATOM 0 HB3 SER A 131 -8.141 -9.497 4.968 1.00 61.12 H new ATOM 0 HG SER A 131 -5.991 -10.004 4.800 1.00 34.45 H new ATOM 2032 N TRP A 132 -10.095 -8.299 2.071 1.00 15.31 N ATOM 2033 CA TRP A 132 -11.248 -7.432 2.029 1.00 14.55 C ATOM 2034 C TRP A 132 -12.284 -7.952 1.038 1.00 70.21 C ATOM 2035 O TRP A 132 -13.428 -8.187 1.395 1.00 24.23 O ATOM 2036 CB TRP A 132 -10.866 -6.013 1.625 1.00 23.42 C ATOM 2037 CG TRP A 132 -9.807 -5.336 2.455 1.00 23.43 C ATOM 2038 CD1 TRP A 132 -8.593 -4.907 2.014 1.00 13.34 C ATOM 2039 CD2 TRP A 132 -9.856 -5.015 3.851 1.00 35.44 C ATOM 2040 NE1 TRP A 132 -7.898 -4.320 3.031 1.00 55.43 N ATOM 2041 CE2 TRP A 132 -8.641 -4.379 4.172 1.00 73.11 C ATOM 2042 CE3 TRP A 132 -10.802 -5.194 4.854 1.00 31.51 C ATOM 2043 CZ2 TRP A 132 -8.354 -3.925 5.454 1.00 50.02 C ATOM 2044 CZ3 TRP A 132 -10.512 -4.746 6.129 1.00 32.51 C ATOM 2045 CH2 TRP A 132 -9.297 -4.120 6.416 1.00 53.13 C ATOM 0 H TRP A 132 -9.401 -8.123 1.345 1.00 15.31 H new ATOM 0 HA TRP A 132 -11.668 -7.420 3.035 1.00 14.55 H new ATOM 0 HB2 TRP A 132 -10.525 -6.034 0.590 1.00 23.42 H new ATOM 0 HB3 TRP A 132 -11.765 -5.398 1.652 1.00 23.42 H new ATOM 0 HD1 TRP A 132 -8.231 -5.016 1.002 1.00 13.34 H new ATOM 0 HE1 TRP A 132 -6.970 -3.904 2.950 1.00 55.43 H new ATOM 0 HE3 TRP A 132 -11.746 -5.674 4.641 1.00 31.51 H new ATOM 0 HZ2 TRP A 132 -7.418 -3.436 5.678 1.00 50.02 H new ATOM 0 HZ3 TRP A 132 -11.238 -4.882 6.917 1.00 32.51 H new ATOM 0 HH2 TRP A 132 -9.101 -3.783 7.423 1.00 53.13 H new ATOM 2056 N SER A 133 -11.870 -8.136 -0.204 1.00 14.33 N ATOM 2057 CA SER A 133 -12.794 -8.532 -1.238 1.00 42.24 C ATOM 2058 C SER A 133 -12.423 -9.907 -1.776 1.00 73.12 C ATOM 2059 O SER A 133 -13.299 -10.724 -2.086 1.00 33.21 O ATOM 2060 CB SER A 133 -12.805 -7.483 -2.356 1.00 71.12 C ATOM 2061 OG SER A 133 -13.790 -7.758 -3.330 1.00 35.14 O ATOM 0 H SER A 133 -10.905 -8.017 -0.514 1.00 14.33 H new ATOM 0 HA SER A 133 -13.798 -8.596 -0.819 1.00 42.24 H new ATOM 0 HB2 SER A 133 -12.985 -6.497 -1.927 1.00 71.12 H new ATOM 0 HB3 SER A 133 -11.825 -7.449 -2.831 1.00 71.12 H new ATOM 0 HG SER A 133 -13.766 -7.066 -4.024 1.00 35.14 H new ATOM 2067 N GLY A 134 -11.134 -10.176 -1.884 1.00 4.04 N ATOM 2068 CA GLY A 134 -10.728 -11.489 -2.325 1.00 63.50 C ATOM 2069 C GLY A 134 -9.732 -11.486 -3.463 1.00 54.41 C ATOM 2070 O GLY A 134 -9.240 -12.542 -3.854 1.00 31.32 O ATOM 0 H GLY A 134 -10.376 -9.525 -1.679 1.00 4.04 H new ATOM 0 HA2 GLY A 134 -10.295 -12.025 -1.480 1.00 63.50 H new ATOM 0 HA3 GLY A 134 -11.613 -12.045 -2.635 1.00 63.50 H new ATOM 2074 N LYS A 135 -9.401 -10.323 -3.980 1.00 73.35 N ATOM 2075 CA LYS A 135 -8.473 -10.274 -5.098 1.00 31.23 C ATOM 2076 C LYS A 135 -7.058 -10.513 -4.646 1.00 45.33 C ATOM 2077 O LYS A 135 -6.559 -9.857 -3.714 1.00 73.31 O ATOM 2078 CB LYS A 135 -8.611 -9.008 -5.944 1.00 2.24 C ATOM 2079 CG LYS A 135 -7.590 -8.920 -7.079 1.00 65.32 C ATOM 2080 CD LYS A 135 -7.887 -7.784 -8.044 1.00 53.31 C ATOM 2081 CE LYS A 135 -9.199 -8.009 -8.795 1.00 62.04 C ATOM 2082 NZ LYS A 135 -9.468 -6.946 -9.783 1.00 12.01 N ATOM 0 H LYS A 135 -9.747 -9.419 -3.658 1.00 73.35 H new ATOM 0 HA LYS A 135 -8.746 -11.093 -5.763 1.00 31.23 H new ATOM 0 HB2 LYS A 135 -9.615 -8.970 -6.365 1.00 2.24 H new ATOM 0 HB3 LYS A 135 -8.502 -8.136 -5.299 1.00 2.24 H new ATOM 0 HG2 LYS A 135 -6.594 -8.783 -6.657 1.00 65.32 H new ATOM 0 HG3 LYS A 135 -7.578 -9.863 -7.626 1.00 65.32 H new ATOM 0 HD2 LYS A 135 -7.939 -6.844 -7.495 1.00 53.31 H new ATOM 0 HD3 LYS A 135 -7.070 -7.691 -8.759 1.00 53.31 H new ATOM 0 HE2 LYS A 135 -9.164 -8.973 -9.302 1.00 62.04 H new ATOM 0 HE3 LYS A 135 -10.021 -8.054 -8.081 1.00 62.04 H new ATOM 0 HZ1 LYS A 135 -10.368 -7.141 -10.267 1.00 12.01 H new ATOM 0 HZ2 LYS A 135 -9.528 -6.028 -9.298 1.00 12.01 H new ATOM 0 HZ3 LYS A 135 -8.698 -6.918 -10.482 1.00 12.01 H new ATOM 2096 N TYR A 136 -6.421 -11.448 -5.297 1.00 74.01 N ATOM 2097 CA TYR A 136 -5.113 -11.891 -4.937 1.00 75.24 C ATOM 2098 C TYR A 136 -4.096 -10.859 -5.398 1.00 52.34 C ATOM 2099 O TYR A 136 -3.740 -10.794 -6.564 1.00 62.13 O ATOM 2100 CB TYR A 136 -4.879 -13.231 -5.636 1.00 24.41 C ATOM 2101 CG TYR A 136 -3.792 -14.132 -5.105 1.00 52.33 C ATOM 2102 CD1 TYR A 136 -3.853 -14.635 -3.818 1.00 23.41 C ATOM 2103 CD2 TYR A 136 -2.750 -14.551 -5.921 1.00 32.35 C ATOM 2104 CE1 TYR A 136 -2.907 -15.522 -3.361 1.00 43.22 C ATOM 2105 CE2 TYR A 136 -1.799 -15.427 -5.460 1.00 51.51 C ATOM 2106 CZ TYR A 136 -1.884 -15.912 -4.184 1.00 12.21 C ATOM 2107 OH TYR A 136 -0.949 -16.806 -3.728 1.00 35.44 O ATOM 0 H TYR A 136 -6.810 -11.929 -6.108 1.00 74.01 H new ATOM 0 HA TYR A 136 -5.012 -12.011 -3.858 1.00 75.24 H new ATOM 0 HB2 TYR A 136 -5.816 -13.788 -5.610 1.00 24.41 H new ATOM 0 HB3 TYR A 136 -4.659 -13.026 -6.684 1.00 24.41 H new ATOM 0 HD1 TYR A 136 -4.655 -14.327 -3.163 1.00 23.41 H new ATOM 0 HD2 TYR A 136 -2.687 -14.182 -6.934 1.00 32.35 H new ATOM 0 HE1 TYR A 136 -2.970 -15.910 -2.355 1.00 43.22 H new ATOM 0 HE2 TYR A 136 -0.986 -15.732 -6.103 1.00 51.51 H new ATOM 0 HH TYR A 136 -0.843 -17.530 -4.380 1.00 35.44 H new ATOM 2117 N CYS A 137 -3.699 -10.024 -4.490 1.00 72.55 N ATOM 2118 CA CYS A 137 -2.651 -9.047 -4.773 1.00 22.43 C ATOM 2119 C CYS A 137 -1.323 -9.391 -4.191 1.00 73.25 C ATOM 2120 O CYS A 137 -0.361 -9.480 -4.923 1.00 41.32 O ATOM 2121 CB CYS A 137 -3.043 -7.591 -4.554 1.00 30.52 C ATOM 2122 SG CYS A 137 -3.993 -6.966 -5.902 1.00 12.11 S ATOM 0 H CYS A 137 -4.073 -9.985 -3.542 1.00 72.55 H new ATOM 0 HA CYS A 137 -2.527 -9.130 -5.853 1.00 22.43 H new ATOM 0 HB2 CYS A 137 -3.617 -7.503 -3.632 1.00 30.52 H new ATOM 0 HB3 CYS A 137 -2.145 -6.986 -4.430 1.00 30.52 H new ATOM 0 HG CYS A 137 -5.079 -6.414 -5.448 1.00 12.11 H new ATOM 2127 N PRO A 138 -1.208 -9.593 -2.868 1.00 75.14 N ATOM 2128 CA PRO A 138 0.045 -10.020 -2.287 1.00 32.43 C ATOM 2129 C PRO A 138 0.290 -11.517 -2.555 1.00 34.34 C ATOM 2130 O PRO A 138 0.440 -12.309 -1.638 1.00 52.44 O ATOM 2131 CB PRO A 138 -0.129 -9.729 -0.802 1.00 40.42 C ATOM 2132 CG PRO A 138 -1.580 -9.799 -0.566 1.00 54.53 C ATOM 2133 CD PRO A 138 -2.251 -9.399 -1.840 1.00 53.31 C ATOM 0 HA PRO A 138 0.911 -9.509 -2.707 1.00 32.43 H new ATOM 0 HB2 PRO A 138 0.405 -10.457 -0.192 1.00 40.42 H new ATOM 0 HB3 PRO A 138 0.266 -8.746 -0.544 1.00 40.42 H new ATOM 0 HG2 PRO A 138 -1.875 -10.807 -0.275 1.00 54.53 H new ATOM 0 HG3 PRO A 138 -1.871 -9.135 0.248 1.00 54.53 H new ATOM 0 HD2 PRO A 138 -3.128 -10.015 -2.040 1.00 53.31 H new ATOM 0 HD3 PRO A 138 -2.590 -8.364 -1.805 1.00 53.31 H new ATOM 2141 N HIS A 139 0.336 -11.861 -3.844 1.00 61.04 N ATOM 2142 CA HIS A 139 0.535 -13.216 -4.336 1.00 44.14 C ATOM 2143 C HIS A 139 1.751 -13.899 -3.701 1.00 1.01 C ATOM 2144 O HIS A 139 1.650 -15.017 -3.223 1.00 35.12 O ATOM 2145 CB HIS A 139 0.651 -13.225 -5.893 1.00 11.12 C ATOM 2146 CG HIS A 139 1.831 -12.453 -6.460 1.00 15.15 C ATOM 2147 ND1 HIS A 139 3.044 -13.024 -6.795 1.00 44.10 N ATOM 2148 CD2 HIS A 139 1.959 -11.133 -6.729 1.00 44.12 C ATOM 2149 CE1 HIS A 139 3.847 -12.058 -7.234 1.00 13.44 C ATOM 2150 NE2 HIS A 139 3.240 -10.888 -7.216 1.00 20.42 N ATOM 0 H HIS A 139 0.232 -11.178 -4.594 1.00 61.04 H new ATOM 0 HA HIS A 139 -0.343 -13.792 -4.042 1.00 44.14 H new ATOM 0 HB2 HIS A 139 0.719 -14.259 -6.230 1.00 11.12 H new ATOM 0 HB3 HIS A 139 -0.267 -12.813 -6.312 1.00 11.12 H new ATOM 0 HD1 HIS A 139 3.282 -14.013 -6.719 1.00 44.10 H new ATOM 0 HD2 HIS A 139 1.190 -10.388 -6.588 1.00 44.12 H new ATOM 0 HE1 HIS A 139 4.864 -12.213 -7.562 1.00 13.44 H new ATOM 2158 N ARG A 140 2.871 -13.194 -3.659 1.00 51.41 N ATOM 2159 CA ARG A 140 4.105 -13.729 -3.164 1.00 4.24 C ATOM 2160 C ARG A 140 3.959 -14.006 -1.674 1.00 63.11 C ATOM 2161 O ARG A 140 4.393 -15.024 -1.164 1.00 34.45 O ATOM 2162 CB ARG A 140 5.235 -12.713 -3.397 1.00 60.02 C ATOM 2163 CG ARG A 140 6.624 -13.274 -3.150 1.00 60.42 C ATOM 2164 CD ARG A 140 6.991 -14.328 -4.191 1.00 40.13 C ATOM 2165 NE ARG A 140 8.248 -14.998 -3.867 1.00 41.43 N ATOM 2166 CZ ARG A 140 9.202 -15.357 -4.735 1.00 70.41 C ATOM 2167 NH1 ARG A 140 9.069 -15.100 -6.038 1.00 52.44 N ATOM 2168 NH2 ARG A 140 10.276 -15.995 -4.299 1.00 71.33 N ATOM 0 H ARG A 140 2.937 -12.226 -3.973 1.00 51.41 H new ATOM 0 HA ARG A 140 4.346 -14.654 -3.687 1.00 4.24 H new ATOM 0 HB2 ARG A 140 5.178 -12.349 -4.423 1.00 60.02 H new ATOM 0 HB3 ARG A 140 5.079 -11.854 -2.744 1.00 60.02 H new ATOM 0 HG2 ARG A 140 7.355 -12.465 -3.175 1.00 60.42 H new ATOM 0 HG3 ARG A 140 6.669 -13.713 -2.153 1.00 60.42 H new ATOM 0 HD2 ARG A 140 6.192 -15.067 -4.257 1.00 40.13 H new ATOM 0 HD3 ARG A 140 7.072 -13.858 -5.171 1.00 40.13 H new ATOM 0 HE ARG A 140 8.415 -15.213 -2.884 1.00 41.43 H new ATOM 0 HH11 ARG A 140 8.234 -14.625 -6.382 1.00 52.44 H new ATOM 0 HH12 ARG A 140 9.802 -15.378 -6.690 1.00 52.44 H new ATOM 0 HH21 ARG A 140 10.373 -16.211 -3.307 1.00 71.33 H new ATOM 0 HH22 ARG A 140 11.006 -16.271 -4.955 1.00 71.33 H new ATOM 2182 N MET A 141 3.296 -13.107 -1.004 1.00 35.25 N ATOM 2183 CA MET A 141 3.096 -13.205 0.418 1.00 52.22 C ATOM 2184 C MET A 141 2.129 -14.314 0.763 1.00 61.12 C ATOM 2185 O MET A 141 2.368 -15.083 1.677 1.00 31.23 O ATOM 2186 CB MET A 141 2.559 -11.914 0.957 1.00 34.24 C ATOM 2187 CG MET A 141 3.455 -10.728 0.757 1.00 33.30 C ATOM 2188 SD MET A 141 2.716 -9.263 1.416 1.00 74.10 S ATOM 2189 CE MET A 141 4.122 -8.228 1.518 1.00 54.11 C ATOM 0 H MET A 141 2.876 -12.280 -1.429 1.00 35.25 H new ATOM 0 HA MET A 141 4.064 -13.426 0.868 1.00 52.22 H new ATOM 0 HB2 MET A 141 1.599 -11.710 0.483 1.00 34.24 H new ATOM 0 HB3 MET A 141 2.369 -12.033 2.024 1.00 34.24 H new ATOM 0 HG2 MET A 141 4.415 -10.906 1.242 1.00 33.30 H new ATOM 0 HG3 MET A 141 3.655 -10.593 -0.306 1.00 33.30 H new ATOM 0 HE1 MET A 141 3.827 -7.251 1.901 1.00 54.11 H new ATOM 0 HE2 MET A 141 4.855 -8.675 2.190 1.00 54.11 H new ATOM 0 HE3 MET A 141 4.561 -8.112 0.527 1.00 54.11 H new ATOM 2199 N LEU A 142 1.055 -14.397 0.028 1.00 64.42 N ATOM 2200 CA LEU A 142 0.022 -15.367 0.298 1.00 12.50 C ATOM 2201 C LEU A 142 0.438 -16.773 -0.073 1.00 24.43 C ATOM 2202 O LEU A 142 0.141 -17.717 0.657 1.00 23.52 O ATOM 2203 CB LEU A 142 -1.271 -14.975 -0.397 1.00 3.52 C ATOM 2204 CG LEU A 142 -1.953 -13.699 0.127 1.00 24.31 C ATOM 2205 CD1 LEU A 142 -3.134 -13.315 -0.740 1.00 4.32 C ATOM 2206 CD2 LEU A 142 -2.432 -13.918 1.537 1.00 5.14 C ATOM 0 H LEU A 142 0.868 -13.796 -0.775 1.00 64.42 H new ATOM 0 HA LEU A 142 -0.148 -15.368 1.375 1.00 12.50 H new ATOM 0 HB2 LEU A 142 -1.065 -14.844 -1.459 1.00 3.52 H new ATOM 0 HB3 LEU A 142 -1.974 -15.803 -0.308 1.00 3.52 H new ATOM 0 HG LEU A 142 -1.221 -12.892 0.100 1.00 24.31 H new ATOM 0 HD11 LEU A 142 -3.596 -12.410 -0.345 1.00 4.32 H new ATOM 0 HD12 LEU A 142 -2.793 -13.134 -1.759 1.00 4.32 H new ATOM 0 HD13 LEU A 142 -3.864 -14.125 -0.740 1.00 4.32 H new ATOM 0 HD21 LEU A 142 -2.914 -13.011 1.903 1.00 5.14 H new ATOM 0 HD22 LEU A 142 -3.146 -14.741 1.555 1.00 5.14 H new ATOM 0 HD23 LEU A 142 -1.583 -14.161 2.176 1.00 5.14 H new ATOM 2218 N ALA A 143 1.131 -16.916 -1.177 1.00 11.24 N ATOM 2219 CA ALA A 143 1.550 -18.216 -1.629 1.00 65.22 C ATOM 2220 C ALA A 143 2.646 -18.778 -0.757 1.00 1.05 C ATOM 2221 O ALA A 143 2.660 -19.974 -0.462 1.00 11.14 O ATOM 2222 CB ALA A 143 2.002 -18.168 -3.069 1.00 2.41 C ATOM 0 H ALA A 143 1.416 -16.144 -1.779 1.00 11.24 H new ATOM 0 HA ALA A 143 0.687 -18.878 -1.557 1.00 65.22 H new ATOM 0 HB1 ALA A 143 2.313 -19.163 -3.386 1.00 2.41 H new ATOM 0 HB2 ALA A 143 1.179 -17.828 -3.698 1.00 2.41 H new ATOM 0 HB3 ALA A 143 2.840 -17.478 -3.164 1.00 2.41 H new ATOM 2228 N GLU A 144 3.560 -17.927 -0.323 1.00 51.54 N ATOM 2229 CA GLU A 144 4.700 -18.417 0.433 1.00 25.23 C ATOM 2230 C GLU A 144 4.468 -18.347 1.934 1.00 74.40 C ATOM 2231 O GLU A 144 5.232 -18.917 2.710 1.00 3.03 O ATOM 2232 CB GLU A 144 5.943 -17.604 0.125 1.00 35.43 C ATOM 2233 CG GLU A 144 6.271 -17.432 -1.333 1.00 71.15 C ATOM 2234 CD GLU A 144 7.675 -16.918 -1.507 1.00 1.40 C ATOM 2235 OE1 GLU A 144 7.914 -15.712 -1.324 1.00 61.53 O ATOM 2236 OE2 GLU A 144 8.574 -17.725 -1.819 1.00 12.10 O ATOM 0 H GLU A 144 3.539 -16.919 -0.476 1.00 51.54 H new ATOM 0 HA GLU A 144 4.833 -19.457 0.135 1.00 25.23 H new ATOM 0 HB2 GLU A 144 5.827 -16.616 0.570 1.00 35.43 H new ATOM 0 HB3 GLU A 144 6.794 -18.077 0.616 1.00 35.43 H new ATOM 0 HG2 GLU A 144 6.161 -18.385 -1.850 1.00 71.15 H new ATOM 0 HG3 GLU A 144 5.565 -16.738 -1.790 1.00 71.15 H new ATOM 2243 N GLY A 145 3.418 -17.678 2.344 1.00 54.42 N ATOM 2244 CA GLY A 145 3.197 -17.475 3.761 1.00 33.32 C ATOM 2245 C GLY A 145 4.108 -16.370 4.291 1.00 33.42 C ATOM 2246 O GLY A 145 4.494 -16.360 5.462 1.00 13.11 O ATOM 0 H GLY A 145 2.712 -17.270 1.731 1.00 54.42 H new ATOM 0 HA2 GLY A 145 2.154 -17.211 3.938 1.00 33.32 H new ATOM 0 HA3 GLY A 145 3.388 -18.402 4.301 1.00 33.32 H new ATOM 2250 N ARG A 146 4.464 -15.454 3.405 1.00 73.25 N ATOM 2251 CA ARG A 146 5.316 -14.327 3.717 1.00 24.04 C ATOM 2252 C ARG A 146 4.539 -13.120 4.228 1.00 41.42 C ATOM 2253 O ARG A 146 5.140 -12.131 4.598 1.00 73.41 O ATOM 2254 CB ARG A 146 6.166 -13.940 2.509 1.00 23.33 C ATOM 2255 CG ARG A 146 7.630 -14.409 2.510 1.00 23.41 C ATOM 2256 CD ARG A 146 7.842 -15.920 2.672 1.00 42.22 C ATOM 2257 NE ARG A 146 7.577 -16.412 4.036 1.00 64.22 N ATOM 2258 CZ ARG A 146 7.735 -17.685 4.427 1.00 2.42 C ATOM 2259 NH1 ARG A 146 8.152 -18.604 3.555 1.00 51.31 N ATOM 2260 NH2 ARG A 146 7.496 -18.028 5.691 1.00 41.44 N ATOM 0 H ARG A 146 4.161 -15.477 2.431 1.00 73.25 H new ATOM 0 HA ARG A 146 5.970 -14.649 4.527 1.00 24.04 H new ATOM 0 HB2 ARG A 146 5.684 -14.335 1.615 1.00 23.33 H new ATOM 0 HB3 ARG A 146 6.158 -12.853 2.422 1.00 23.33 H new ATOM 0 HG2 ARG A 146 8.095 -14.093 1.576 1.00 23.41 H new ATOM 0 HG3 ARG A 146 8.156 -13.898 3.316 1.00 23.41 H new ATOM 0 HD2 ARG A 146 7.192 -16.446 1.973 1.00 42.22 H new ATOM 0 HD3 ARG A 146 8.869 -16.165 2.400 1.00 42.22 H new ATOM 0 HE ARG A 146 7.251 -15.739 4.729 1.00 64.22 H new ATOM 0 HH11 ARG A 146 8.351 -18.339 2.590 1.00 51.31 H new ATOM 0 HH12 ARG A 146 8.272 -19.572 3.853 1.00 51.31 H new ATOM 0 HH21 ARG A 146 7.193 -17.322 6.362 1.00 41.44 H new ATOM 0 HH22 ARG A 146 7.616 -18.996 5.988 1.00 41.44 H new ATOM 2274 N TRP A 147 3.213 -13.195 4.233 1.00 12.22 N ATOM 2275 CA TRP A 147 2.403 -12.107 4.780 1.00 44.05 C ATOM 2276 C TRP A 147 2.739 -11.886 6.250 1.00 31.20 C ATOM 2277 O TRP A 147 3.069 -10.768 6.662 1.00 73.41 O ATOM 2278 CB TRP A 147 0.891 -12.366 4.629 1.00 63.13 C ATOM 2279 CG TRP A 147 0.089 -11.228 5.172 1.00 3.51 C ATOM 2280 CD1 TRP A 147 -0.502 -11.142 6.394 1.00 24.05 C ATOM 2281 CD2 TRP A 147 -0.161 -10.001 4.521 1.00 44.35 C ATOM 2282 NE1 TRP A 147 -1.095 -9.920 6.541 1.00 13.35 N ATOM 2283 CE2 TRP A 147 -0.906 -9.203 5.395 1.00 40.34 C ATOM 2284 CE3 TRP A 147 0.173 -9.500 3.281 1.00 14.32 C ATOM 2285 CZ2 TRP A 147 -1.312 -7.924 5.057 1.00 63.01 C ATOM 2286 CZ3 TRP A 147 -0.224 -8.247 2.945 1.00 53.43 C ATOM 2287 CH2 TRP A 147 -0.959 -7.467 3.821 1.00 70.23 C ATOM 0 H TRP A 147 2.679 -13.985 3.870 1.00 12.22 H new ATOM 0 HA TRP A 147 2.644 -11.213 4.206 1.00 44.05 H new ATOM 0 HB2 TRP A 147 0.649 -12.515 3.577 1.00 63.13 H new ATOM 0 HB3 TRP A 147 0.623 -13.284 5.151 1.00 63.13 H new ATOM 0 HD1 TRP A 147 -0.502 -11.924 7.138 1.00 24.05 H new ATOM 0 HE1 TRP A 147 -1.596 -9.597 7.369 1.00 13.35 H new ATOM 0 HE3 TRP A 147 0.744 -10.098 2.586 1.00 14.32 H new ATOM 0 HZ2 TRP A 147 -1.883 -7.314 5.742 1.00 63.01 H new ATOM 0 HZ3 TRP A 147 0.038 -7.850 1.975 1.00 53.43 H new ATOM 0 HH2 TRP A 147 -1.260 -6.475 3.519 1.00 70.23 H new ATOM 2298 N GLY A 148 2.671 -12.966 7.028 1.00 24.13 N ATOM 2299 CA GLY A 148 3.002 -12.897 8.439 1.00 53.54 C ATOM 2300 C GLY A 148 4.430 -12.470 8.641 1.00 33.21 C ATOM 2301 O GLY A 148 4.741 -11.746 9.578 1.00 41.24 O ATOM 0 H GLY A 148 2.391 -13.891 6.702 1.00 24.13 H new ATOM 0 HA2 GLY A 148 2.335 -12.194 8.938 1.00 53.54 H new ATOM 0 HA3 GLY A 148 2.842 -13.871 8.901 1.00 53.54 H new ATOM 2305 N ALA A 149 5.292 -12.909 7.732 1.00 32.45 N ATOM 2306 CA ALA A 149 6.693 -12.538 7.753 1.00 3.14 C ATOM 2307 C ALA A 149 6.840 -11.037 7.555 1.00 4.43 C ATOM 2308 O ALA A 149 7.559 -10.382 8.297 1.00 51.20 O ATOM 2309 CB ALA A 149 7.460 -13.296 6.680 1.00 0.13 C ATOM 0 H ALA A 149 5.036 -13.530 6.964 1.00 32.45 H new ATOM 0 HA ALA A 149 7.111 -12.804 8.724 1.00 3.14 H new ATOM 0 HB1 ALA A 149 8.510 -13.006 6.710 1.00 0.13 H new ATOM 0 HB2 ALA A 149 7.375 -14.368 6.860 1.00 0.13 H new ATOM 0 HB3 ALA A 149 7.045 -13.059 5.700 1.00 0.13 H new ATOM 2315 N PHE A 150 6.135 -10.499 6.557 1.00 53.32 N ATOM 2316 CA PHE A 150 6.156 -9.072 6.265 1.00 22.10 C ATOM 2317 C PHE A 150 5.664 -8.280 7.455 1.00 53.15 C ATOM 2318 O PHE A 150 6.342 -7.383 7.924 1.00 74.13 O ATOM 2319 CB PHE A 150 5.319 -8.762 5.015 1.00 40.55 C ATOM 2320 CG PHE A 150 5.255 -7.297 4.644 1.00 30.01 C ATOM 2321 CD1 PHE A 150 6.415 -6.573 4.435 1.00 42.22 C ATOM 2322 CD2 PHE A 150 4.030 -6.649 4.498 1.00 65.40 C ATOM 2323 CE1 PHE A 150 6.355 -5.240 4.091 1.00 63.32 C ATOM 2324 CE2 PHE A 150 3.975 -5.310 4.146 1.00 3.35 C ATOM 2325 CZ PHE A 150 5.139 -4.609 3.944 1.00 41.43 C ATOM 0 H PHE A 150 5.537 -11.041 5.933 1.00 53.32 H new ATOM 0 HA PHE A 150 7.186 -8.777 6.063 1.00 22.10 H new ATOM 0 HB2 PHE A 150 5.730 -9.318 4.172 1.00 40.55 H new ATOM 0 HB3 PHE A 150 4.304 -9.127 5.174 1.00 40.55 H new ATOM 0 HD1 PHE A 150 7.375 -7.056 4.542 1.00 42.22 H new ATOM 0 HD2 PHE A 150 3.113 -7.196 4.661 1.00 65.40 H new ATOM 0 HE1 PHE A 150 7.269 -4.685 3.935 1.00 63.32 H new ATOM 0 HE2 PHE A 150 3.020 -4.819 4.031 1.00 3.35 H new ATOM 0 HZ PHE A 150 5.101 -3.565 3.670 1.00 41.43 H new ATOM 2335 N ILE A 151 4.497 -8.639 7.951 1.00 5.20 N ATOM 2336 CA ILE A 151 3.917 -8.018 9.124 1.00 62.03 C ATOM 2337 C ILE A 151 4.846 -8.104 10.354 1.00 32.43 C ATOM 2338 O ILE A 151 4.913 -7.166 11.164 1.00 5.05 O ATOM 2339 CB ILE A 151 2.485 -8.588 9.384 1.00 20.22 C ATOM 2340 CG1 ILE A 151 1.409 -7.760 8.656 1.00 14.32 C ATOM 2341 CG2 ILE A 151 2.166 -8.779 10.842 1.00 53.10 C ATOM 2342 CD1 ILE A 151 1.602 -7.650 7.160 1.00 34.42 C ATOM 0 H ILE A 151 3.920 -9.377 7.547 1.00 5.20 H new ATOM 0 HA ILE A 151 3.809 -6.951 8.931 1.00 62.03 H new ATOM 0 HB ILE A 151 2.478 -9.591 8.957 1.00 20.22 H new ATOM 0 HG12 ILE A 151 0.433 -8.205 8.851 1.00 14.32 H new ATOM 0 HG13 ILE A 151 1.392 -6.757 9.081 1.00 14.32 H new ATOM 0 HG21 ILE A 151 1.156 -9.177 10.944 1.00 53.10 H new ATOM 0 HG22 ILE A 151 2.878 -9.478 11.282 1.00 53.10 H new ATOM 0 HG23 ILE A 151 2.232 -7.821 11.357 1.00 53.10 H new ATOM 0 HD11 ILE A 151 0.798 -7.050 6.733 1.00 34.42 H new ATOM 0 HD12 ILE A 151 2.560 -7.175 6.951 1.00 34.42 H new ATOM 0 HD13 ILE A 151 1.586 -8.646 6.717 1.00 34.42 H new ATOM 2354 N GLN A 152 5.568 -9.202 10.474 1.00 31.14 N ATOM 2355 CA GLN A 152 6.547 -9.362 11.537 1.00 30.41 C ATOM 2356 C GLN A 152 7.659 -8.326 11.375 1.00 15.13 C ATOM 2357 O GLN A 152 8.131 -7.731 12.358 1.00 14.15 O ATOM 2358 CB GLN A 152 7.145 -10.766 11.501 1.00 34.22 C ATOM 2359 CG GLN A 152 8.173 -11.032 12.582 1.00 61.12 C ATOM 2360 CD GLN A 152 8.806 -12.398 12.463 1.00 63.23 C ATOM 2361 OE1 GLN A 152 8.186 -13.353 11.989 1.00 4.14 O ATOM 2362 NE2 GLN A 152 10.042 -12.501 12.873 1.00 24.12 N ATOM 0 H GLN A 152 5.495 -10.002 9.845 1.00 31.14 H new ATOM 0 HA GLN A 152 6.050 -9.215 12.496 1.00 30.41 H new ATOM 0 HB2 GLN A 152 6.339 -11.494 11.595 1.00 34.22 H new ATOM 0 HB3 GLN A 152 7.608 -10.926 10.527 1.00 34.22 H new ATOM 0 HG2 GLN A 152 8.951 -10.270 12.533 1.00 61.12 H new ATOM 0 HG3 GLN A 152 7.699 -10.940 13.559 1.00 61.12 H new ATOM 0 HE21 GLN A 152 10.521 -11.687 13.259 1.00 24.12 H new ATOM 0 HE22 GLN A 152 10.528 -13.395 12.807 1.00 24.12 H new ATOM 2371 N LYS A 153 8.063 -8.102 10.134 1.00 64.15 N ATOM 2372 CA LYS A 153 9.101 -7.167 9.830 1.00 50.43 C ATOM 2373 C LYS A 153 8.632 -5.738 9.987 1.00 3.01 C ATOM 2374 O LYS A 153 9.349 -4.934 10.546 1.00 73.43 O ATOM 2375 CB LYS A 153 9.576 -7.390 8.435 1.00 53.12 C ATOM 2376 CG LYS A 153 10.100 -8.778 8.201 1.00 21.13 C ATOM 2377 CD LYS A 153 10.306 -9.009 6.744 1.00 63.43 C ATOM 2378 CE LYS A 153 11.380 -8.114 6.177 1.00 73.41 C ATOM 2379 NZ LYS A 153 11.617 -8.400 4.771 1.00 13.34 N ATOM 0 H LYS A 153 7.671 -8.571 9.318 1.00 64.15 H new ATOM 0 HA LYS A 153 9.917 -7.328 10.535 1.00 50.43 H new ATOM 0 HB2 LYS A 153 8.755 -7.198 7.744 1.00 53.12 H new ATOM 0 HB3 LYS A 153 10.361 -6.669 8.206 1.00 53.12 H new ATOM 0 HG2 LYS A 153 11.040 -8.915 8.735 1.00 21.13 H new ATOM 0 HG3 LYS A 153 9.398 -9.512 8.598 1.00 21.13 H new ATOM 0 HD2 LYS A 153 10.577 -10.051 6.577 1.00 63.43 H new ATOM 0 HD3 LYS A 153 9.370 -8.834 6.213 1.00 63.43 H new ATOM 0 HE2 LYS A 153 11.086 -7.071 6.294 1.00 73.41 H new ATOM 0 HE3 LYS A 153 12.304 -8.250 6.739 1.00 73.41 H new ATOM 0 HZ1 LYS A 153 12.639 -8.491 4.603 1.00 13.34 H new ATOM 0 HZ2 LYS A 153 11.143 -9.289 4.513 1.00 13.34 H new ATOM 0 HZ3 LYS A 153 11.238 -7.625 4.190 1.00 13.34 H new ATOM 2393 N VAL A 154 7.416 -5.428 9.509 1.00 4.41 N ATOM 2394 CA VAL A 154 6.864 -4.069 9.563 1.00 50.02 C ATOM 2395 C VAL A 154 6.802 -3.549 10.997 1.00 53.21 C ATOM 2396 O VAL A 154 7.003 -2.358 11.239 1.00 43.44 O ATOM 2397 CB VAL A 154 5.437 -4.020 8.972 1.00 72.44 C ATOM 2398 CG1 VAL A 154 4.872 -2.635 9.060 1.00 41.45 C ATOM 2399 CG2 VAL A 154 5.405 -4.501 7.546 1.00 45.21 C ATOM 0 H VAL A 154 6.793 -6.110 9.077 1.00 4.41 H new ATOM 0 HA VAL A 154 7.531 -3.441 8.973 1.00 50.02 H new ATOM 0 HB VAL A 154 4.820 -4.693 9.567 1.00 72.44 H new ATOM 0 HG11 VAL A 154 3.867 -2.625 8.638 1.00 41.45 H new ATOM 0 HG12 VAL A 154 4.830 -2.325 10.104 1.00 41.45 H new ATOM 0 HG13 VAL A 154 5.507 -1.947 8.502 1.00 41.45 H new ATOM 0 HG21 VAL A 154 4.384 -4.451 7.168 1.00 45.21 H new ATOM 0 HG22 VAL A 154 6.050 -3.870 6.935 1.00 45.21 H new ATOM 0 HG23 VAL A 154 5.758 -5.531 7.502 1.00 45.21 H new ATOM 2409 N LYS A 155 6.563 -4.462 11.933 1.00 5.40 N ATOM 2410 CA LYS A 155 6.461 -4.132 13.351 1.00 74.32 C ATOM 2411 C LYS A 155 7.687 -3.311 13.805 1.00 60.14 C ATOM 2412 O LYS A 155 7.560 -2.341 14.539 1.00 35.13 O ATOM 2413 CB LYS A 155 6.384 -5.428 14.168 1.00 50.12 C ATOM 2414 CG LYS A 155 6.171 -5.220 15.663 1.00 44.31 C ATOM 2415 CD LYS A 155 4.790 -4.644 15.972 1.00 53.45 C ATOM 2416 CE LYS A 155 3.681 -5.624 15.654 1.00 73.14 C ATOM 2417 NZ LYS A 155 3.822 -6.900 16.392 1.00 1.24 N ATOM 0 H LYS A 155 6.434 -5.453 11.730 1.00 5.40 H new ATOM 0 HA LYS A 155 5.562 -3.537 13.511 1.00 74.32 H new ATOM 0 HB2 LYS A 155 5.570 -6.040 13.779 1.00 50.12 H new ATOM 0 HB3 LYS A 155 7.305 -5.991 14.020 1.00 50.12 H new ATOM 0 HG2 LYS A 155 6.291 -6.171 16.182 1.00 44.31 H new ATOM 0 HG3 LYS A 155 6.938 -4.548 16.048 1.00 44.31 H new ATOM 0 HD2 LYS A 155 4.740 -4.369 17.026 1.00 53.45 H new ATOM 0 HD3 LYS A 155 4.642 -3.730 15.397 1.00 53.45 H new ATOM 0 HE2 LYS A 155 2.720 -5.171 15.898 1.00 73.14 H new ATOM 0 HE3 LYS A 155 3.676 -5.826 14.583 1.00 73.14 H new ATOM 0 HZ1 LYS A 155 2.928 -7.429 16.344 1.00 1.24 H new ATOM 0 HZ2 LYS A 155 4.583 -7.466 15.965 1.00 1.24 H new ATOM 0 HZ3 LYS A 155 4.054 -6.702 17.386 1.00 1.24 H new ATOM 2431 N ASN A 156 8.853 -3.719 13.353 1.00 22.22 N ATOM 2432 CA ASN A 156 10.078 -3.056 13.648 1.00 2.13 C ATOM 2433 C ASN A 156 10.589 -2.222 12.494 1.00 14.50 C ATOM 2434 O ASN A 156 11.217 -1.192 12.693 1.00 40.52 O ATOM 2435 CB ASN A 156 11.116 -4.095 14.050 1.00 20.23 C ATOM 2436 CG ASN A 156 11.008 -4.518 15.494 1.00 74.01 C ATOM 2437 OD1 ASN A 156 11.273 -5.667 15.840 1.00 13.32 O ATOM 2438 ND2 ASN A 156 10.661 -3.590 16.352 1.00 3.15 N ATOM 0 H ASN A 156 8.964 -4.540 12.758 1.00 22.22 H new ATOM 0 HA ASN A 156 9.893 -2.363 14.468 1.00 2.13 H new ATOM 0 HB2 ASN A 156 11.008 -4.972 13.412 1.00 20.23 H new ATOM 0 HB3 ASN A 156 12.112 -3.692 13.870 1.00 20.23 H new ATOM 0 HD21 ASN A 156 10.603 -3.810 17.346 1.00 3.15 H new ATOM 0 HD22 ASN A 156 10.449 -2.647 16.026 1.00 3.15 H new ATOM 2445 N GLY A 157 10.313 -2.640 11.312 1.00 51.32 N ATOM 2446 CA GLY A 157 10.877 -1.998 10.164 1.00 25.42 C ATOM 2447 C GLY A 157 12.054 -2.780 9.714 1.00 70.13 C ATOM 2448 O GLY A 157 13.029 -2.232 9.218 1.00 70.01 O ATOM 0 H GLY A 157 9.698 -3.427 11.106 1.00 51.32 H new ATOM 0 HA2 GLY A 157 10.138 -1.934 9.365 1.00 25.42 H new ATOM 0 HA3 GLY A 157 11.172 -0.977 10.408 1.00 25.42 H new