USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 89:sc= 0.793 USER MOD Set 1.2: A 74 ASN : amide:sc= 1.11 K(o=1.9,f=-4.6!) USER MOD Set 2.1: A 65 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.33) USER MOD Set 2.2: A 70 TYR OH : rot 90:sc= 0 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.0576 X(o=-3.7,f=-3.6) USER MOD Set 3.2: A 22 GLN : amide:sc= -3.67! C(o=-3.7!,f=-7.6!) USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000153) USER MOD Single : A 7 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.083) USER MOD Single : A 10 ASN : amide:sc= -3.33! C(o=-3.3!,f=-2.5!) USER MOD Single : A 11 MET CE :methyl -132:sc= -0.544 (180deg=-3.17!) USER MOD Single : A 12 GLN : amide:sc= -3.41! K(o=-3.4!,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.13) USER MOD Single : A 15 THR OG1 : rot -161:sc= 1.61 USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -2.47 (180deg=-4.92!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 33 GLN : amide:sc= -2.01! K(o=-2!,f=-0.86) USER MOD Single : A 35 SER OG : rot -53:sc= 0.413 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -129:sc= -0.581 (180deg=-2.08!) USER MOD Single : A 42 HIS : no HD1:sc= -0.145 K(o=-0.14,f=-1.2) USER MOD Single : A 45 THR OG1 : rot -64:sc= -0.786 USER MOD Single : A 47 MET CE :methyl 142:sc= -0.748 (180deg=-3.02!) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 1.12 (180deg=1.01) USER MOD Single : A 52 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.821 X(o=-0.82,f=-0.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0786 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 72 MET CE :methyl -175:sc= -1.08 (180deg=-1.16) USER MOD Single : A 79 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.520 -0.662 -1.189 1.00 0.00 N ATOM 2 CA PRO A 1 1.689 -0.674 -2.093 1.00 0.00 C ATOM 3 C PRO A 1 1.756 -2.002 -2.833 1.00 0.00 C ATOM 4 O PRO A 1 0.977 -2.912 -2.542 1.00 0.00 O ATOM 5 CB PRO A 1 2.944 -0.466 -1.269 1.00 0.00 C ATOM 6 CG PRO A 1 2.525 -0.904 0.085 1.00 0.00 C ATOM 7 CD PRO A 1 1.048 -0.581 0.194 1.00 0.00 C ATOM 0 H2 PRO A 1 -0.042 -1.504 -1.313 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.086 0.133 -1.392 1.00 0.00 H new ATOM 0 HA PRO A 1 1.600 0.126 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.778 -1.058 -1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.264 0.576 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.702 -1.971 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.095 -0.386 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 1 0.539 -1.288 0.850 1.00 0.00 H new ATOM 0 HD3 PRO A 1 0.894 0.413 0.615 1.00 0.00 H new ATOM 17 N VAL A 2 2.678 -2.119 -3.778 1.00 0.00 N ATOM 18 CA VAL A 2 2.818 -3.343 -4.555 1.00 0.00 C ATOM 19 C VAL A 2 4.250 -3.849 -4.491 1.00 0.00 C ATOM 20 O VAL A 2 5.179 -3.079 -4.239 1.00 0.00 O ATOM 21 CB VAL A 2 2.422 -3.151 -6.036 1.00 0.00 C ATOM 22 CG1 VAL A 2 0.992 -2.661 -6.160 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.379 -2.202 -6.736 1.00 0.00 C ATOM 0 H VAL A 2 3.339 -1.383 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 2 2.138 -4.072 -4.113 1.00 0.00 H new ATOM 0 HB VAL A 2 2.488 -4.122 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.741 -2.535 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.317 -3.390 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.889 -1.706 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.078 -2.084 -7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.357 -1.232 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.390 -2.608 -6.694 1.00 0.00 H new ATOM 33 N SER A 3 4.422 -5.137 -4.723 1.00 0.00 N ATOM 34 CA SER A 3 5.738 -5.740 -4.678 1.00 0.00 C ATOM 35 C SER A 3 6.417 -5.609 -6.031 1.00 0.00 C ATOM 36 O SER A 3 5.897 -6.065 -7.049 1.00 0.00 O ATOM 37 CB SER A 3 5.641 -7.214 -4.270 1.00 0.00 C ATOM 38 OG SER A 3 4.863 -7.365 -3.093 1.00 0.00 O ATOM 0 H SER A 3 3.666 -5.785 -4.944 1.00 0.00 H new ATOM 0 HA SER A 3 6.336 -5.217 -3.932 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.196 -7.791 -5.081 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.641 -7.616 -4.104 1.00 0.00 H new ATOM 0 HG SER A 3 3.919 -7.470 -3.336 1.00 0.00 H new ATOM 44 N ILE A 4 7.563 -4.966 -6.033 1.00 0.00 N ATOM 45 CA ILE A 4 8.333 -4.763 -7.247 1.00 0.00 C ATOM 46 C ILE A 4 9.728 -5.346 -7.098 1.00 0.00 C ATOM 47 O ILE A 4 10.368 -5.191 -6.060 1.00 0.00 O ATOM 48 CB ILE A 4 8.447 -3.269 -7.597 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.552 -2.427 -6.328 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.271 -2.819 -8.449 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.738 -0.950 -6.595 1.00 0.00 C ATOM 0 H ILE A 4 7.990 -4.568 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 4 7.806 -5.273 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 4 9.357 -3.125 -8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.651 -2.569 -5.732 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.389 -2.788 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.375 -1.759 -8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.251 -3.394 -9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.342 -2.980 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.805 -0.415 -5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.655 -0.796 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.889 -0.574 -7.166 1.00 0.00 H new ATOM 63 N LYS A 5 10.201 -6.012 -8.132 1.00 0.00 N ATOM 64 CA LYS A 5 11.510 -6.639 -8.079 1.00 0.00 C ATOM 65 C LYS A 5 12.409 -6.077 -9.155 1.00 0.00 C ATOM 66 O LYS A 5 11.939 -5.642 -10.201 1.00 0.00 O ATOM 67 CB LYS A 5 11.416 -8.153 -8.254 1.00 0.00 C ATOM 68 CG LYS A 5 10.267 -8.788 -7.508 1.00 0.00 C ATOM 69 CD LYS A 5 9.196 -9.223 -8.487 1.00 0.00 C ATOM 70 CE LYS A 5 7.977 -9.779 -7.789 1.00 0.00 C ATOM 71 NZ LYS A 5 8.247 -11.092 -7.140 1.00 0.00 N ATOM 0 H LYS A 5 9.704 -6.134 -9.014 1.00 0.00 H new ATOM 0 HA LYS A 5 11.929 -6.425 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.316 -8.380 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.349 -8.606 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.622 -9.647 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.851 -8.080 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.903 -8.373 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.605 -9.979 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.636 -9.068 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.168 -9.892 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.378 -11.442 -6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.564 -11.775 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.989 -10.977 -6.420 1.00 0.00 H new ATOM 85 N VAL A 6 13.697 -6.098 -8.889 1.00 0.00 N ATOM 86 CA VAL A 6 14.686 -5.657 -9.850 1.00 0.00 C ATOM 87 C VAL A 6 15.718 -6.758 -10.059 1.00 0.00 C ATOM 88 O VAL A 6 16.540 -7.029 -9.179 1.00 0.00 O ATOM 89 CB VAL A 6 15.402 -4.364 -9.393 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.391 -3.896 -10.449 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.396 -3.266 -9.079 1.00 0.00 C ATOM 0 H VAL A 6 14.088 -6.420 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 6 14.167 -5.440 -10.783 1.00 0.00 H new ATOM 0 HB VAL A 6 15.954 -4.589 -8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.884 -2.985 -10.108 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.138 -4.672 -10.617 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.861 -3.695 -11.380 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.925 -2.368 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.809 -3.044 -9.971 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.732 -3.598 -8.281 1.00 0.00 H new ATOM 101 N GLN A 7 15.639 -7.415 -11.204 1.00 0.00 N ATOM 102 CA GLN A 7 16.573 -8.467 -11.554 1.00 0.00 C ATOM 103 C GLN A 7 17.940 -7.863 -11.815 1.00 0.00 C ATOM 104 O GLN A 7 18.152 -7.200 -12.824 1.00 0.00 O ATOM 105 CB GLN A 7 16.089 -9.222 -12.793 1.00 0.00 C ATOM 106 CG GLN A 7 16.400 -10.708 -12.771 1.00 0.00 C ATOM 107 CD GLN A 7 17.882 -10.992 -12.856 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.428 -11.231 -13.933 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.546 -10.892 -11.725 1.00 0.00 N ATOM 0 H GLN A 7 14.928 -7.234 -11.913 1.00 0.00 H new ATOM 0 HA GLN A 7 16.640 -9.172 -10.725 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.012 -9.088 -12.890 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.546 -8.779 -13.678 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.002 -11.145 -11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.892 -11.194 -13.604 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.048 -10.692 -10.857 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.559 -11.014 -11.716 1.00 0.00 H new ATOM 118 N VAL A 8 18.845 -8.074 -10.885 1.00 0.00 N ATOM 119 CA VAL A 8 20.194 -7.570 -11.001 1.00 0.00 C ATOM 120 C VAL A 8 21.000 -8.436 -11.962 1.00 0.00 C ATOM 121 O VAL A 8 21.051 -9.653 -11.802 1.00 0.00 O ATOM 122 CB VAL A 8 20.878 -7.542 -9.620 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.283 -6.998 -9.717 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.060 -6.726 -8.634 1.00 0.00 C ATOM 0 H VAL A 8 18.666 -8.599 -10.029 1.00 0.00 H new ATOM 0 HA VAL A 8 20.150 -6.553 -11.392 1.00 0.00 H new ATOM 0 HB VAL A 8 20.938 -8.568 -9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.739 -6.991 -8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.872 -7.628 -10.383 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.253 -5.982 -10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.560 -6.718 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.963 -5.704 -9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.070 -7.169 -8.528 1.00 0.00 H new ATOM 134 N PRO A 9 21.647 -7.828 -12.969 1.00 0.00 N ATOM 135 CA PRO A 9 22.398 -8.577 -13.975 1.00 0.00 C ATOM 136 C PRO A 9 23.587 -9.314 -13.371 1.00 0.00 C ATOM 137 O PRO A 9 24.176 -8.876 -12.376 1.00 0.00 O ATOM 138 CB PRO A 9 22.868 -7.502 -14.962 1.00 0.00 C ATOM 139 CG PRO A 9 22.826 -6.228 -14.195 1.00 0.00 C ATOM 140 CD PRO A 9 21.708 -6.376 -13.204 1.00 0.00 C ATOM 0 HA PRO A 9 21.790 -9.351 -14.443 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.875 -7.712 -15.324 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.218 -7.458 -15.836 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.774 -6.046 -13.689 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.650 -5.380 -14.857 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.912 -5.829 -12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.767 -5.994 -13.600 1.00 0.00 H new ATOM 148 N ASN A 10 23.919 -10.449 -13.958 1.00 0.00 N ATOM 149 CA ASN A 10 25.052 -11.243 -13.510 1.00 0.00 C ATOM 150 C ASN A 10 26.365 -10.601 -13.939 1.00 0.00 C ATOM 151 O ASN A 10 26.825 -10.808 -15.061 1.00 0.00 O ATOM 152 CB ASN A 10 24.965 -12.665 -14.076 1.00 0.00 C ATOM 153 CG ASN A 10 23.862 -13.494 -13.450 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.715 -13.459 -13.893 1.00 0.00 O ATOM 155 ND2 ASN A 10 24.204 -14.263 -12.430 1.00 0.00 N ATOM 0 H ASN A 10 23.417 -10.845 -14.752 1.00 0.00 H new ATOM 0 HA ASN A 10 25.022 -11.288 -12.421 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.802 -12.611 -15.152 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.920 -13.168 -13.923 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.505 -14.856 -11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 10 25.166 -14.264 -12.092 1.00 0.00 H new ATOM 162 N MET A 11 26.952 -9.793 -13.060 1.00 0.00 N ATOM 163 CA MET A 11 28.263 -9.210 -13.323 1.00 0.00 C ATOM 164 C MET A 11 29.043 -9.066 -12.025 1.00 0.00 C ATOM 165 O MET A 11 29.203 -7.963 -11.510 1.00 0.00 O ATOM 166 CB MET A 11 28.113 -7.836 -13.993 1.00 0.00 C ATOM 167 CG MET A 11 28.042 -7.901 -15.509 1.00 0.00 C ATOM 168 SD MET A 11 28.307 -6.300 -16.307 1.00 0.00 S ATOM 169 CE MET A 11 26.906 -5.357 -15.706 1.00 0.00 C ATOM 0 H MET A 11 26.543 -9.529 -12.164 1.00 0.00 H new ATOM 0 HA MET A 11 28.807 -9.873 -13.995 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.211 -7.354 -13.616 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.955 -7.207 -13.704 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.789 -8.608 -15.871 1.00 0.00 H new ATOM 0 HG3 MET A 11 27.067 -8.289 -15.804 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.424 -4.850 -16.541 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.193 -6.029 -15.229 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.249 -4.618 -14.982 1.00 0.00 H new ATOM 179 N GLN A 12 29.559 -10.182 -11.512 1.00 0.00 N ATOM 180 CA GLN A 12 30.126 -10.192 -10.167 1.00 0.00 C ATOM 181 C GLN A 12 31.516 -9.586 -10.171 1.00 0.00 C ATOM 182 O GLN A 12 31.837 -8.715 -9.365 1.00 0.00 O ATOM 183 CB GLN A 12 30.209 -11.627 -9.614 1.00 0.00 C ATOM 184 CG GLN A 12 28.933 -12.449 -9.754 1.00 0.00 C ATOM 185 CD GLN A 12 28.826 -13.159 -11.089 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.302 -14.279 -11.254 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.175 -12.523 -12.047 1.00 0.00 N ATOM 0 H GLN A 12 29.596 -11.077 -11.999 1.00 0.00 H new ATOM 0 HA GLN A 12 29.469 -9.600 -9.530 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.018 -12.150 -10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.477 -11.578 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.894 -13.187 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.071 -11.795 -9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.793 -11.593 -11.874 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.054 -12.962 -12.960 1.00 0.00 H new ATOM 196 N ASP A 13 32.330 -10.052 -11.099 1.00 0.00 N ATOM 197 CA ASP A 13 33.674 -9.525 -11.283 1.00 0.00 C ATOM 198 C ASP A 13 33.855 -9.038 -12.709 1.00 0.00 C ATOM 199 O ASP A 13 34.973 -8.850 -13.183 1.00 0.00 O ATOM 200 CB ASP A 13 34.741 -10.563 -10.912 1.00 0.00 C ATOM 201 CG ASP A 13 34.406 -11.965 -11.375 1.00 0.00 C ATOM 202 OD1 ASP A 13 34.298 -12.192 -12.593 1.00 0.00 O ATOM 203 OD2 ASP A 13 34.246 -12.853 -10.511 1.00 0.00 O ATOM 0 H ASP A 13 32.083 -10.802 -11.744 1.00 0.00 H new ATOM 0 HA ASP A 13 33.802 -8.678 -10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 13 35.695 -10.263 -11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.871 -10.568 -9.830 1.00 0.00 H new ATOM 208 N LYS A 14 32.737 -8.833 -13.391 1.00 0.00 N ATOM 209 CA LYS A 14 32.765 -8.330 -14.757 1.00 0.00 C ATOM 210 C LYS A 14 32.686 -6.813 -14.717 1.00 0.00 C ATOM 211 O LYS A 14 32.837 -6.132 -15.729 1.00 0.00 O ATOM 212 CB LYS A 14 31.597 -8.893 -15.584 1.00 0.00 C ATOM 213 CG LYS A 14 31.140 -10.286 -15.168 1.00 0.00 C ATOM 214 CD LYS A 14 32.269 -11.304 -15.194 1.00 0.00 C ATOM 215 CE LYS A 14 31.818 -12.628 -14.599 1.00 0.00 C ATOM 216 NZ LYS A 14 32.953 -13.564 -14.380 1.00 0.00 N ATOM 0 H LYS A 14 31.802 -9.007 -13.022 1.00 0.00 H new ATOM 0 HA LYS A 14 33.692 -8.650 -15.233 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.752 -8.209 -15.507 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.891 -8.919 -16.633 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.719 -10.241 -14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.342 -10.616 -15.833 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.603 -11.457 -16.220 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.123 -10.921 -14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.313 -12.444 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.089 -13.093 -15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.585 -14.501 -14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.512 -13.643 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.557 -13.204 -13.614 1.00 0.00 H new ATOM 230 N THR A 15 32.447 -6.303 -13.519 1.00 0.00 N ATOM 231 CA THR A 15 32.322 -4.877 -13.285 1.00 0.00 C ATOM 232 C THR A 15 32.577 -4.573 -11.808 1.00 0.00 C ATOM 233 O THR A 15 32.967 -5.462 -11.049 1.00 0.00 O ATOM 234 CB THR A 15 30.929 -4.362 -13.710 1.00 0.00 C ATOM 235 OG1 THR A 15 30.884 -2.929 -13.635 1.00 0.00 O ATOM 236 CG2 THR A 15 29.837 -4.962 -12.835 1.00 0.00 C ATOM 0 H THR A 15 32.334 -6.871 -12.679 1.00 0.00 H new ATOM 0 HA THR A 15 33.066 -4.360 -13.892 1.00 0.00 H new ATOM 0 HB THR A 15 30.754 -4.671 -14.740 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.950 -2.632 -13.607 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.866 -4.584 -13.154 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.852 -6.048 -12.928 1.00 0.00 H new ATOM 0 HG23 THR A 15 30.010 -4.684 -11.795 1.00 0.00 H new ATOM 244 N GLU A 16 32.349 -3.331 -11.405 1.00 0.00 N ATOM 245 CA GLU A 16 32.668 -2.884 -10.055 1.00 0.00 C ATOM 246 C GLU A 16 31.412 -2.729 -9.204 1.00 0.00 C ATOM 247 O GLU A 16 31.484 -2.361 -8.031 1.00 0.00 O ATOM 248 CB GLU A 16 33.413 -1.558 -10.132 1.00 0.00 C ATOM 249 CG GLU A 16 32.636 -0.484 -10.870 1.00 0.00 C ATOM 250 CD GLU A 16 33.494 0.700 -11.229 1.00 0.00 C ATOM 251 OE1 GLU A 16 34.106 0.679 -12.315 1.00 0.00 O ATOM 252 OE2 GLU A 16 33.566 1.656 -10.433 1.00 0.00 O ATOM 0 H GLU A 16 31.941 -2.609 -11.999 1.00 0.00 H new ATOM 0 HA GLU A 16 33.295 -3.639 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.632 -1.211 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.370 -1.714 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.208 -0.908 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.803 -0.151 -10.251 1.00 0.00 H new ATOM 259 N TRP A 17 30.266 -3.004 -9.799 1.00 0.00 N ATOM 260 CA TRP A 17 28.994 -2.894 -9.090 1.00 0.00 C ATOM 261 C TRP A 17 28.687 -4.183 -8.334 1.00 0.00 C ATOM 262 O TRP A 17 29.344 -5.206 -8.543 1.00 0.00 O ATOM 263 CB TRP A 17 27.865 -2.579 -10.068 1.00 0.00 C ATOM 264 CG TRP A 17 28.160 -1.395 -10.926 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.524 -0.150 -10.506 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.118 -1.344 -12.352 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.716 0.672 -11.586 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.477 -0.041 -12.734 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.817 -2.280 -13.343 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.537 0.344 -14.068 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.879 -1.895 -14.664 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.240 -0.591 -15.017 1.00 0.00 C ATOM 0 H TRP A 17 30.184 -3.305 -10.770 1.00 0.00 H new ATOM 0 HA TRP A 17 29.074 -2.079 -8.370 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.687 -3.447 -10.703 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.946 -2.398 -9.510 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.643 0.145 -9.474 1.00 0.00 H new ATOM 0 HE1 TRP A 17 28.991 1.653 -11.543 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.540 -3.290 -13.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.810 1.351 -14.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.645 -2.611 -15.438 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.285 -0.318 -16.061 1.00 0.00 H new ATOM 283 N LYS A 18 27.683 -4.132 -7.467 1.00 0.00 N ATOM 284 CA LYS A 18 27.304 -5.282 -6.653 1.00 0.00 C ATOM 285 C LYS A 18 26.352 -6.208 -7.418 1.00 0.00 C ATOM 286 O LYS A 18 25.503 -6.881 -6.833 1.00 0.00 O ATOM 287 CB LYS A 18 26.651 -4.803 -5.349 1.00 0.00 C ATOM 288 CG LYS A 18 25.293 -4.141 -5.542 1.00 0.00 C ATOM 289 CD LYS A 18 24.187 -4.989 -4.934 1.00 0.00 C ATOM 290 CE LYS A 18 23.037 -5.201 -5.903 1.00 0.00 C ATOM 291 NZ LYS A 18 22.086 -4.058 -5.877 1.00 0.00 N ATOM 0 H LYS A 18 27.113 -3.301 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 18 28.204 -5.849 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.536 -5.654 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.321 -4.098 -4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.296 -3.154 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.103 -3.995 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.593 -5.956 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.815 -4.507 -4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.429 -5.327 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.510 -6.120 -5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.644 -3.953 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.350 -4.235 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.598 -3.185 -5.637 1.00 0.00 H new ATOM 305 N LEU A 19 26.506 -6.268 -8.723 1.00 0.00 N ATOM 306 CA LEU A 19 25.597 -7.036 -9.551 1.00 0.00 C ATOM 307 C LEU A 19 26.034 -8.498 -9.593 1.00 0.00 C ATOM 308 O LEU A 19 27.072 -8.810 -10.140 1.00 0.00 O ATOM 309 CB LEU A 19 25.583 -6.470 -10.973 1.00 0.00 C ATOM 310 CG LEU A 19 25.561 -4.945 -11.069 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.492 -4.502 -12.515 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.402 -4.365 -10.287 1.00 0.00 C ATOM 0 H LEU A 19 27.251 -5.795 -9.235 1.00 0.00 H new ATOM 0 HA LEU A 19 24.596 -6.972 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.462 -6.838 -11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.710 -6.863 -11.494 1.00 0.00 H new ATOM 0 HG LEU A 19 26.487 -4.571 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.477 -3.413 -12.562 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.363 -4.876 -13.052 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.586 -4.897 -12.974 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.412 -3.278 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.464 -4.752 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.494 -4.646 -9.238 1.00 0.00 H new ATOM 324 N ASN A 20 25.259 -9.402 -9.026 1.00 0.00 N ATOM 325 CA ASN A 20 25.692 -10.797 -8.961 1.00 0.00 C ATOM 326 C ASN A 20 24.644 -11.724 -9.543 1.00 0.00 C ATOM 327 O ASN A 20 24.694 -12.937 -9.346 1.00 0.00 O ATOM 328 CB ASN A 20 26.013 -11.199 -7.521 1.00 0.00 C ATOM 329 CG ASN A 20 27.194 -10.434 -6.954 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.319 -10.934 -6.913 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.948 -9.198 -6.556 1.00 0.00 N ATOM 0 H ASN A 20 24.347 -9.210 -8.611 1.00 0.00 H new ATOM 0 HA ASN A 20 26.599 -10.890 -9.559 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.138 -11.026 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.225 -12.268 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.706 -8.617 -6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.000 -8.825 -6.608 1.00 0.00 H new ATOM 338 N GLY A 21 23.715 -11.153 -10.290 1.00 0.00 N ATOM 339 CA GLY A 21 22.665 -11.943 -10.885 1.00 0.00 C ATOM 340 C GLY A 21 21.506 -12.184 -9.942 1.00 0.00 C ATOM 341 O GLY A 21 20.586 -12.935 -10.262 1.00 0.00 O ATOM 0 H GLY A 21 23.671 -10.155 -10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.300 -11.439 -11.780 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.074 -12.902 -11.203 1.00 0.00 H new ATOM 345 N GLN A 22 21.548 -11.554 -8.775 1.00 0.00 N ATOM 346 CA GLN A 22 20.479 -11.706 -7.801 1.00 0.00 C ATOM 347 C GLN A 22 19.291 -10.829 -8.167 1.00 0.00 C ATOM 348 O GLN A 22 19.348 -10.046 -9.105 1.00 0.00 O ATOM 349 CB GLN A 22 20.951 -11.371 -6.384 1.00 0.00 C ATOM 350 CG GLN A 22 21.324 -9.910 -6.178 1.00 0.00 C ATOM 351 CD GLN A 22 22.818 -9.671 -6.221 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.606 -10.528 -5.847 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.214 -8.500 -6.689 1.00 0.00 N ATOM 0 H GLN A 22 22.306 -10.937 -8.483 1.00 0.00 H new ATOM 0 HA GLN A 22 20.174 -12.752 -7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.163 -11.636 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.815 -11.992 -6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.842 -9.306 -6.947 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.935 -9.573 -5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.524 -7.812 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.209 -8.285 -6.748 1.00 0.00 H new ATOM 362 N VAL A 23 18.222 -10.957 -7.410 1.00 0.00 N ATOM 363 CA VAL A 23 17.001 -10.208 -7.663 1.00 0.00 C ATOM 364 C VAL A 23 16.596 -9.432 -6.418 1.00 0.00 C ATOM 365 O VAL A 23 16.443 -10.011 -5.343 1.00 0.00 O ATOM 366 CB VAL A 23 15.835 -11.138 -8.081 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.596 -10.328 -8.435 1.00 0.00 C ATOM 368 CG2 VAL A 23 16.242 -12.031 -9.244 1.00 0.00 C ATOM 0 H VAL A 23 18.171 -11.580 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 23 17.205 -9.520 -8.484 1.00 0.00 H new ATOM 0 HB VAL A 23 15.594 -11.776 -7.231 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.791 -11.003 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.285 -9.743 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.824 -9.658 -9.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.406 -12.674 -9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.520 -11.413 -10.098 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.092 -12.646 -8.950 1.00 0.00 H new ATOM 378 N LEU A 24 16.445 -8.127 -6.561 1.00 0.00 N ATOM 379 CA LEU A 24 16.024 -7.288 -5.449 1.00 0.00 C ATOM 380 C LEU A 24 14.509 -7.237 -5.400 1.00 0.00 C ATOM 381 O LEU A 24 13.864 -7.210 -6.440 1.00 0.00 O ATOM 382 CB LEU A 24 16.584 -5.873 -5.592 1.00 0.00 C ATOM 383 CG LEU A 24 18.099 -5.783 -5.757 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.541 -4.330 -5.829 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.804 -6.501 -4.620 1.00 0.00 C ATOM 0 H LEU A 24 16.607 -7.625 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 24 16.409 -7.717 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.113 -5.399 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.296 -5.296 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 24 18.373 -6.272 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.624 -4.284 -5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.063 -3.846 -6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.254 -3.816 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.883 -6.426 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.525 -6.043 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.511 -7.551 -4.616 1.00 0.00 H new ATOM 397 N VAL A 25 13.944 -7.229 -4.205 1.00 0.00 N ATOM 398 CA VAL A 25 12.500 -7.202 -4.055 1.00 0.00 C ATOM 399 C VAL A 25 12.096 -6.145 -3.041 1.00 0.00 C ATOM 400 O VAL A 25 12.359 -6.276 -1.845 1.00 0.00 O ATOM 401 CB VAL A 25 11.933 -8.571 -3.621 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.420 -8.510 -3.492 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.345 -9.660 -4.600 1.00 0.00 C ATOM 0 H VAL A 25 14.462 -7.241 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 25 12.082 -6.960 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 25 12.349 -8.816 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.041 -9.485 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.148 -7.764 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.984 -8.237 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.935 -10.616 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.964 -9.420 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.432 -9.725 -4.635 1.00 0.00 H new ATOM 413 N PHE A 26 11.463 -5.097 -3.525 1.00 0.00 N ATOM 414 CA PHE A 26 11.025 -4.008 -2.673 1.00 0.00 C ATOM 415 C PHE A 26 9.530 -3.809 -2.834 1.00 0.00 C ATOM 416 O PHE A 26 8.922 -4.350 -3.754 1.00 0.00 O ATOM 417 CB PHE A 26 11.768 -2.716 -3.021 1.00 0.00 C ATOM 418 CG PHE A 26 13.240 -2.765 -2.728 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.696 -3.020 -1.444 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.167 -2.560 -3.737 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.050 -3.068 -1.173 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.522 -2.607 -3.472 1.00 0.00 C ATOM 423 CZ PHE A 26 15.964 -2.860 -2.188 1.00 0.00 C ATOM 0 H PHE A 26 11.238 -4.975 -4.512 1.00 0.00 H new ATOM 0 HA PHE A 26 11.248 -4.261 -1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.625 -2.500 -4.080 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.324 -1.891 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 26 12.985 -3.183 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.826 -2.361 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.394 -3.268 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.235 -2.446 -4.267 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.023 -2.895 -1.978 1.00 0.00 H new ATOM 433 N THR A 27 8.930 -3.057 -1.937 1.00 0.00 N ATOM 434 CA THR A 27 7.512 -2.781 -2.033 1.00 0.00 C ATOM 435 C THR A 27 7.263 -1.281 -2.005 1.00 0.00 C ATOM 436 O THR A 27 7.557 -0.609 -1.016 1.00 0.00 O ATOM 437 CB THR A 27 6.742 -3.444 -0.880 1.00 0.00 C ATOM 438 OG1 THR A 27 7.217 -4.784 -0.678 1.00 0.00 O ATOM 439 CG2 THR A 27 5.246 -3.473 -1.153 1.00 0.00 C ATOM 0 H THR A 27 9.397 -2.628 -1.138 1.00 0.00 H new ATOM 0 HA THR A 27 7.156 -3.193 -2.977 1.00 0.00 H new ATOM 0 HB THR A 27 6.915 -2.851 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.722 -5.199 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.733 -3.949 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.878 -2.454 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.054 -4.037 -2.065 1.00 0.00 H new ATOM 447 N LEU A 28 6.720 -0.772 -3.091 1.00 0.00 N ATOM 448 CA LEU A 28 6.444 0.648 -3.222 1.00 0.00 C ATOM 449 C LEU A 28 5.026 0.849 -3.732 1.00 0.00 C ATOM 450 O LEU A 28 4.462 -0.041 -4.368 1.00 0.00 O ATOM 451 CB LEU A 28 7.446 1.306 -4.178 1.00 0.00 C ATOM 452 CG LEU A 28 8.870 1.454 -3.641 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.798 1.940 -4.742 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.896 2.422 -2.470 1.00 0.00 C ATOM 0 H LEU A 28 6.457 -1.326 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 28 6.544 1.117 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.482 0.721 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.072 2.295 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 28 9.214 0.479 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.809 2.041 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.799 1.221 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.453 2.907 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.916 2.517 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.537 3.398 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.254 2.047 -1.673 1.00 0.00 H new ATOM 466 N PRO A 29 4.409 1.995 -3.422 1.00 0.00 N ATOM 467 CA PRO A 29 3.088 2.335 -3.943 1.00 0.00 C ATOM 468 C PRO A 29 3.112 2.511 -5.453 1.00 0.00 C ATOM 469 O PRO A 29 4.119 2.935 -6.022 1.00 0.00 O ATOM 470 CB PRO A 29 2.751 3.665 -3.260 1.00 0.00 C ATOM 471 CG PRO A 29 4.065 4.225 -2.840 1.00 0.00 C ATOM 472 CD PRO A 29 4.938 3.041 -2.535 1.00 0.00 C ATOM 0 HA PRO A 29 2.357 1.552 -3.744 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.234 4.340 -3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.094 3.514 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.499 4.837 -3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.955 4.865 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.987 3.251 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.871 2.751 -1.486 1.00 0.00 H new ATOM 480 N LEU A 30 1.996 2.198 -6.095 1.00 0.00 N ATOM 481 CA LEU A 30 1.864 2.343 -7.544 1.00 0.00 C ATOM 482 C LEU A 30 2.008 3.810 -7.957 1.00 0.00 C ATOM 483 O LEU A 30 2.167 4.128 -9.135 1.00 0.00 O ATOM 484 CB LEU A 30 0.504 1.790 -7.988 1.00 0.00 C ATOM 485 CG LEU A 30 0.287 1.692 -9.497 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.307 0.756 -10.118 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.125 1.218 -9.807 1.00 0.00 C ATOM 0 H LEU A 30 1.160 1.839 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 30 2.659 1.779 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.378 0.797 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.279 2.422 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 30 0.418 2.685 -9.927 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.139 0.697 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.311 1.134 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.204 -0.237 -9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.259 1.155 -10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.284 0.235 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.845 1.924 -9.393 1.00 0.00 H new ATOM 499 N THR A 31 1.971 4.697 -6.971 1.00 0.00 N ATOM 500 CA THR A 31 2.058 6.124 -7.210 1.00 0.00 C ATOM 501 C THR A 31 3.501 6.570 -7.410 1.00 0.00 C ATOM 502 O THR A 31 3.758 7.671 -7.908 1.00 0.00 O ATOM 503 CB THR A 31 1.435 6.907 -6.045 1.00 0.00 C ATOM 504 OG1 THR A 31 2.149 6.637 -4.831 1.00 0.00 O ATOM 505 CG2 THR A 31 -0.020 6.519 -5.866 1.00 0.00 C ATOM 0 H THR A 31 1.880 4.444 -5.987 1.00 0.00 H new ATOM 0 HA THR A 31 1.503 6.334 -8.124 1.00 0.00 H new ATOM 0 HB THR A 31 1.497 7.971 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.745 7.142 -4.095 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.447 7.082 -5.037 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.571 6.743 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.089 5.452 -5.653 1.00 0.00 H new ATOM 513 N ASP A 32 4.454 5.728 -7.021 1.00 0.00 N ATOM 514 CA ASP A 32 5.856 6.037 -7.269 1.00 0.00 C ATOM 515 C ASP A 32 6.188 5.822 -8.737 1.00 0.00 C ATOM 516 O ASP A 32 5.311 5.532 -9.556 1.00 0.00 O ATOM 517 CB ASP A 32 6.808 5.229 -6.376 1.00 0.00 C ATOM 518 CG ASP A 32 6.986 5.855 -5.006 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.999 7.104 -4.914 1.00 0.00 O ATOM 520 OD2 ASP A 32 7.131 5.112 -4.014 1.00 0.00 O ATOM 0 H ASP A 32 4.285 4.843 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 32 6.004 7.086 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.423 4.216 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.779 5.148 -6.864 1.00 0.00 H new ATOM 525 N GLN A 33 7.452 5.966 -9.076 1.00 0.00 N ATOM 526 CA GLN A 33 7.852 5.971 -10.466 1.00 0.00 C ATOM 527 C GLN A 33 9.210 5.319 -10.656 1.00 0.00 C ATOM 528 O GLN A 33 9.893 4.985 -9.685 1.00 0.00 O ATOM 529 CB GLN A 33 7.870 7.411 -11.003 1.00 0.00 C ATOM 530 CG GLN A 33 8.673 8.387 -10.148 1.00 0.00 C ATOM 531 CD GLN A 33 7.939 8.877 -8.904 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.558 9.131 -7.871 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.627 9.042 -8.997 1.00 0.00 N ATOM 0 H GLN A 33 8.217 6.081 -8.411 1.00 0.00 H new ATOM 0 HA GLN A 33 7.123 5.388 -11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.282 7.405 -12.012 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.844 7.771 -11.079 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.602 7.906 -9.842 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.946 9.248 -10.758 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.146 8.821 -9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.099 9.390 -8.197 1.00 0.00 H new ATOM 542 N VAL A 34 9.597 5.156 -11.914 1.00 0.00 N ATOM 543 CA VAL A 34 10.862 4.520 -12.262 1.00 0.00 C ATOM 544 C VAL A 34 12.035 5.327 -11.719 1.00 0.00 C ATOM 545 O VAL A 34 13.116 4.790 -11.475 1.00 0.00 O ATOM 546 CB VAL A 34 11.004 4.363 -13.790 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.265 3.591 -14.150 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.771 3.689 -14.370 1.00 0.00 C ATOM 0 H VAL A 34 9.047 5.459 -12.718 1.00 0.00 H new ATOM 0 HA VAL A 34 10.869 3.529 -11.808 1.00 0.00 H new ATOM 0 HB VAL A 34 11.091 5.358 -14.227 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.337 3.497 -15.234 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.138 4.124 -13.773 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.224 2.598 -13.701 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.887 3.585 -15.449 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.651 2.703 -13.922 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.891 4.295 -14.156 1.00 0.00 H new ATOM 558 N SER A 35 11.803 6.618 -11.525 1.00 0.00 N ATOM 559 CA SER A 35 12.788 7.509 -10.921 1.00 0.00 C ATOM 560 C SER A 35 13.281 6.962 -9.575 1.00 0.00 C ATOM 561 O SER A 35 14.447 7.124 -9.220 1.00 0.00 O ATOM 562 CB SER A 35 12.165 8.887 -10.721 1.00 0.00 C ATOM 563 OG SER A 35 11.250 9.176 -11.763 1.00 0.00 O ATOM 0 H SER A 35 10.929 7.078 -11.781 1.00 0.00 H new ATOM 0 HA SER A 35 13.646 7.581 -11.590 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.653 8.925 -9.759 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.947 9.646 -10.696 1.00 0.00 H new ATOM 0 HG SER A 35 11.692 9.055 -12.629 1.00 0.00 H new ATOM 569 N VAL A 36 12.393 6.301 -8.839 1.00 0.00 N ATOM 570 CA VAL A 36 12.746 5.717 -7.557 1.00 0.00 C ATOM 571 C VAL A 36 13.583 4.458 -7.763 1.00 0.00 C ATOM 572 O VAL A 36 14.432 4.115 -6.941 1.00 0.00 O ATOM 573 CB VAL A 36 11.485 5.363 -6.740 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.850 4.982 -5.324 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.491 6.515 -6.743 1.00 0.00 C ATOM 0 H VAL A 36 11.421 6.158 -9.113 1.00 0.00 H new ATOM 0 HA VAL A 36 13.325 6.456 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 36 11.011 4.504 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.945 4.737 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.512 4.116 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.357 5.818 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.612 6.239 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.955 7.397 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.192 6.735 -7.768 1.00 0.00 H new ATOM 585 N ILE A 37 13.341 3.776 -8.874 1.00 0.00 N ATOM 586 CA ILE A 37 14.079 2.562 -9.203 1.00 0.00 C ATOM 587 C ILE A 37 15.513 2.893 -9.618 1.00 0.00 C ATOM 588 O ILE A 37 16.462 2.284 -9.136 1.00 0.00 O ATOM 589 CB ILE A 37 13.395 1.763 -10.340 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.892 1.605 -10.066 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.056 0.400 -10.508 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.559 0.955 -8.737 1.00 0.00 C ATOM 0 H ILE A 37 12.639 4.042 -9.564 1.00 0.00 H new ATOM 0 HA ILE A 37 14.090 1.947 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 37 13.515 2.320 -11.269 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.424 2.589 -10.102 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.450 1.012 -10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.562 -0.147 -11.311 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.109 0.534 -10.754 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.970 -0.163 -9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.477 0.884 -8.628 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.994 -0.044 -8.701 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.967 1.557 -7.925 1.00 0.00 H new ATOM 604 N LYS A 38 15.668 3.869 -10.502 1.00 0.00 N ATOM 605 CA LYS A 38 16.994 4.270 -10.962 1.00 0.00 C ATOM 606 C LYS A 38 17.856 4.795 -9.812 1.00 0.00 C ATOM 607 O LYS A 38 19.052 4.505 -9.749 1.00 0.00 O ATOM 608 CB LYS A 38 16.908 5.332 -12.064 1.00 0.00 C ATOM 609 CG LYS A 38 15.871 6.408 -11.801 1.00 0.00 C ATOM 610 CD LYS A 38 16.303 7.767 -12.326 1.00 0.00 C ATOM 611 CE LYS A 38 17.342 8.405 -11.419 1.00 0.00 C ATOM 612 NZ LYS A 38 17.592 9.826 -11.771 1.00 0.00 N ATOM 0 H LYS A 38 14.898 4.396 -10.914 1.00 0.00 H new ATOM 0 HA LYS A 38 17.465 3.376 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.885 5.803 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.677 4.842 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.929 6.123 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.686 6.477 -10.729 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.712 7.658 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.435 8.421 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.007 8.342 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.275 7.845 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.307 10.222 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.936 9.886 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.708 10.367 -11.681 1.00 0.00 H new ATOM 626 N VAL A 39 17.257 5.565 -8.908 1.00 0.00 N ATOM 627 CA VAL A 39 18.016 6.148 -7.808 1.00 0.00 C ATOM 628 C VAL A 39 18.427 5.076 -6.796 1.00 0.00 C ATOM 629 O VAL A 39 19.557 5.085 -6.305 1.00 0.00 O ATOM 630 CB VAL A 39 17.247 7.296 -7.099 1.00 0.00 C ATOM 631 CG1 VAL A 39 15.988 6.793 -6.409 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.148 8.014 -6.106 1.00 0.00 C ATOM 0 H VAL A 39 16.264 5.797 -8.914 1.00 0.00 H new ATOM 0 HA VAL A 39 18.915 6.582 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 39 16.939 8.004 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.480 7.627 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.324 6.342 -7.147 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.257 6.048 -5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.589 8.814 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.497 7.307 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.005 8.436 -6.631 1.00 0.00 H new ATOM 642 N LYS A 40 17.529 4.130 -6.519 1.00 0.00 N ATOM 643 CA LYS A 40 17.819 3.083 -5.546 1.00 0.00 C ATOM 644 C LYS A 40 18.953 2.184 -6.034 1.00 0.00 C ATOM 645 O LYS A 40 19.807 1.779 -5.252 1.00 0.00 O ATOM 646 CB LYS A 40 16.568 2.252 -5.211 1.00 0.00 C ATOM 647 CG LYS A 40 15.983 1.461 -6.363 1.00 0.00 C ATOM 648 CD LYS A 40 14.906 0.483 -5.901 1.00 0.00 C ATOM 649 CE LYS A 40 13.808 1.158 -5.084 1.00 0.00 C ATOM 650 NZ LYS A 40 14.174 1.295 -3.645 1.00 0.00 N ATOM 0 H LYS A 40 16.606 4.069 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 40 18.141 3.574 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.818 1.559 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.800 2.923 -4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.558 2.148 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.779 0.912 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.461 0.001 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.367 -0.303 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.604 2.145 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.888 0.580 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.406 0.918 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.048 0.764 -3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.324 2.299 -3.419 1.00 0.00 H new ATOM 664 N ILE A 41 18.974 1.894 -7.331 1.00 0.00 N ATOM 665 CA ILE A 41 20.030 1.067 -7.908 1.00 0.00 C ATOM 666 C ILE A 41 21.344 1.831 -7.949 1.00 0.00 C ATOM 667 O ILE A 41 22.404 1.294 -7.628 1.00 0.00 O ATOM 668 CB ILE A 41 19.666 0.616 -9.333 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.365 -0.180 -9.311 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.791 -0.214 -9.937 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.799 -0.420 -10.683 1.00 0.00 C ATOM 0 H ILE A 41 18.276 2.217 -8.000 1.00 0.00 H new ATOM 0 HA ILE A 41 20.139 0.187 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 41 19.526 1.500 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.541 -1.139 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.629 0.353 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.514 -0.523 -10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.702 0.383 -9.978 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.963 -1.097 -9.321 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.874 -0.991 -10.600 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.593 0.536 -11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.519 -0.979 -11.281 1.00 0.00 H new ATOM 683 N HIS A 42 21.257 3.096 -8.330 1.00 0.00 N ATOM 684 CA HIS A 42 22.426 3.967 -8.420 1.00 0.00 C ATOM 685 C HIS A 42 23.159 4.060 -7.079 1.00 0.00 C ATOM 686 O HIS A 42 24.380 4.187 -7.048 1.00 0.00 O ATOM 687 CB HIS A 42 22.002 5.361 -8.920 1.00 0.00 C ATOM 688 CG HIS A 42 23.026 6.447 -8.730 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.282 6.421 -9.300 1.00 0.00 N ATOM 690 CD2 HIS A 42 22.964 7.602 -8.024 1.00 0.00 C ATOM 691 CE1 HIS A 42 24.942 7.514 -8.955 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.164 8.247 -8.184 1.00 0.00 N ATOM 0 H HIS A 42 20.380 3.549 -8.585 1.00 0.00 H new ATOM 0 HA HIS A 42 23.124 3.535 -9.137 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.762 5.292 -9.981 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.087 5.652 -8.404 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.124 7.951 -7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 42 25.949 7.764 -9.255 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.413 9.147 -7.773 1.00 0.00 H new ATOM 701 N GLU A 43 22.422 3.986 -5.980 1.00 0.00 N ATOM 702 CA GLU A 43 23.027 4.062 -4.654 1.00 0.00 C ATOM 703 C GLU A 43 23.403 2.673 -4.137 1.00 0.00 C ATOM 704 O GLU A 43 24.354 2.522 -3.367 1.00 0.00 O ATOM 705 CB GLU A 43 22.079 4.747 -3.667 1.00 0.00 C ATOM 706 CG GLU A 43 21.739 6.180 -4.045 1.00 0.00 C ATOM 707 CD GLU A 43 20.980 6.909 -2.954 1.00 0.00 C ATOM 708 OE1 GLU A 43 19.805 6.570 -2.706 1.00 0.00 O ATOM 709 OE2 GLU A 43 21.557 7.830 -2.335 1.00 0.00 O ATOM 0 H GLU A 43 21.408 3.874 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 43 23.938 4.655 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.157 4.169 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.532 4.739 -2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.659 6.721 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.143 6.179 -4.958 1.00 0.00 H new ATOM 716 N ALA A 44 22.659 1.662 -4.572 1.00 0.00 N ATOM 717 CA ALA A 44 22.852 0.301 -4.085 1.00 0.00 C ATOM 718 C ALA A 44 23.982 -0.414 -4.817 1.00 0.00 C ATOM 719 O ALA A 44 24.636 -1.288 -4.256 1.00 0.00 O ATOM 720 CB ALA A 44 21.562 -0.494 -4.217 1.00 0.00 C ATOM 0 H ALA A 44 21.915 1.760 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 44 23.131 0.369 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.720 -1.508 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.778 -0.014 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.262 -0.530 -5.264 1.00 0.00 H new ATOM 726 N THR A 45 24.190 -0.076 -6.080 1.00 0.00 N ATOM 727 CA THR A 45 25.249 -0.703 -6.860 1.00 0.00 C ATOM 728 C THR A 45 26.344 0.305 -7.182 1.00 0.00 C ATOM 729 O THR A 45 27.534 0.004 -7.084 1.00 0.00 O ATOM 730 CB THR A 45 24.703 -1.305 -8.175 1.00 0.00 C ATOM 731 OG1 THR A 45 24.520 -0.279 -9.159 1.00 0.00 O ATOM 732 CG2 THR A 45 23.366 -1.982 -7.942 1.00 0.00 C ATOM 0 H THR A 45 23.645 0.623 -6.585 1.00 0.00 H new ATOM 0 HA THR A 45 25.663 -1.510 -6.255 1.00 0.00 H new ATOM 0 HB THR A 45 25.431 -2.036 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.834 0.350 -8.852 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.001 -2.398 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.486 -2.783 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.649 -1.252 -7.565 1.00 0.00 H new ATOM 740 N GLY A 46 25.928 1.499 -7.568 1.00 0.00 N ATOM 741 CA GLY A 46 26.864 2.543 -7.905 1.00 0.00 C ATOM 742 C GLY A 46 26.683 3.030 -9.328 1.00 0.00 C ATOM 743 O GLY A 46 27.310 4.005 -9.743 1.00 0.00 O ATOM 0 H GLY A 46 24.947 1.764 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.738 3.379 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.881 2.174 -7.775 1.00 0.00 H new ATOM 747 N MET A 47 25.824 2.350 -10.079 1.00 0.00 N ATOM 748 CA MET A 47 25.597 2.698 -11.479 1.00 0.00 C ATOM 749 C MET A 47 24.469 3.718 -11.629 1.00 0.00 C ATOM 750 O MET A 47 23.329 3.475 -11.233 1.00 0.00 O ATOM 751 CB MET A 47 25.295 1.441 -12.303 1.00 0.00 C ATOM 752 CG MET A 47 23.975 0.777 -11.949 1.00 0.00 C ATOM 753 SD MET A 47 23.900 -0.964 -12.417 1.00 0.00 S ATOM 754 CE MET A 47 23.890 -0.861 -14.206 1.00 0.00 C ATOM 0 H MET A 47 25.275 1.558 -9.745 1.00 0.00 H new ATOM 0 HA MET A 47 26.511 3.156 -11.858 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.286 1.705 -13.361 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.102 0.722 -12.161 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.809 0.864 -10.875 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.164 1.313 -12.441 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.487 -1.674 -14.621 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.865 -0.941 -14.569 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.312 0.094 -14.518 1.00 0.00 H new ATOM 764 N PRO A 48 24.785 4.893 -12.186 1.00 0.00 N ATOM 765 CA PRO A 48 23.786 5.920 -12.483 1.00 0.00 C ATOM 766 C PRO A 48 22.836 5.484 -13.596 1.00 0.00 C ATOM 767 O PRO A 48 23.150 4.581 -14.377 1.00 0.00 O ATOM 768 CB PRO A 48 24.616 7.127 -12.925 1.00 0.00 C ATOM 769 CG PRO A 48 25.942 6.582 -13.328 1.00 0.00 C ATOM 770 CD PRO A 48 26.148 5.313 -12.549 1.00 0.00 C ATOM 0 HA PRO A 48 23.150 6.130 -11.623 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.138 7.647 -13.755 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.720 7.848 -12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.969 6.386 -14.400 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.735 7.299 -13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.653 4.555 -13.147 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.762 5.483 -11.665 1.00 0.00 H new ATOM 778 N ALA A 49 21.689 6.148 -13.680 1.00 0.00 N ATOM 779 CA ALA A 49 20.659 5.797 -14.653 1.00 0.00 C ATOM 780 C ALA A 49 21.112 6.108 -16.075 1.00 0.00 C ATOM 781 O ALA A 49 20.474 5.704 -17.046 1.00 0.00 O ATOM 782 CB ALA A 49 19.371 6.537 -14.341 1.00 0.00 C ATOM 0 H ALA A 49 21.447 6.938 -13.082 1.00 0.00 H new ATOM 0 HA ALA A 49 20.481 4.724 -14.583 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.610 6.267 -15.073 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.027 6.264 -13.343 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.550 7.611 -14.382 1.00 0.00 H new ATOM 788 N GLY A 50 22.224 6.826 -16.186 1.00 0.00 N ATOM 789 CA GLY A 50 22.780 7.171 -17.478 1.00 0.00 C ATOM 790 C GLY A 50 23.108 5.952 -18.318 1.00 0.00 C ATOM 791 O GLY A 50 23.071 6.003 -19.546 1.00 0.00 O ATOM 0 H GLY A 50 22.756 7.179 -15.390 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.072 7.799 -18.018 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.685 7.762 -17.334 1.00 0.00 H new ATOM 795 N LYS A 51 23.420 4.850 -17.655 1.00 0.00 N ATOM 796 CA LYS A 51 23.788 3.625 -18.352 1.00 0.00 C ATOM 797 C LYS A 51 23.018 2.443 -17.785 1.00 0.00 C ATOM 798 O LYS A 51 23.145 1.322 -18.258 1.00 0.00 O ATOM 799 CB LYS A 51 25.295 3.338 -18.260 1.00 0.00 C ATOM 800 CG LYS A 51 26.152 4.469 -17.690 1.00 0.00 C ATOM 801 CD LYS A 51 25.979 4.614 -16.182 1.00 0.00 C ATOM 802 CE LYS A 51 26.063 3.275 -15.479 1.00 0.00 C ATOM 803 NZ LYS A 51 27.375 2.613 -15.711 1.00 0.00 N ATOM 0 H LYS A 51 23.426 4.777 -16.638 1.00 0.00 H new ATOM 0 HA LYS A 51 23.533 3.767 -19.402 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.440 2.451 -17.644 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.662 3.096 -19.258 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.201 4.279 -17.918 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.885 5.407 -18.177 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.747 5.280 -15.790 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.016 5.078 -15.969 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.911 3.416 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.261 2.627 -15.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.371 1.670 -15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.540 2.518 -16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.133 3.188 -15.290 1.00 0.00 H new ATOM 817 N GLN A 52 22.232 2.701 -16.763 1.00 0.00 N ATOM 818 CA GLN A 52 21.441 1.672 -16.124 1.00 0.00 C ATOM 819 C GLN A 52 20.012 1.715 -16.662 1.00 0.00 C ATOM 820 O GLN A 52 19.357 2.755 -16.639 1.00 0.00 O ATOM 821 CB GLN A 52 21.529 1.876 -14.608 1.00 0.00 C ATOM 822 CG GLN A 52 20.291 1.529 -13.804 1.00 0.00 C ATOM 823 CD GLN A 52 19.556 2.764 -13.330 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.555 3.173 -13.905 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.116 3.420 -12.332 1.00 0.00 N ATOM 0 H GLN A 52 22.123 3.628 -16.352 1.00 0.00 H new ATOM 0 HA GLN A 52 21.820 0.675 -16.347 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.359 1.278 -14.231 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.777 2.920 -14.418 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.622 0.921 -14.413 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.576 0.924 -12.943 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.950 3.045 -11.879 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.715 4.302 -12.013 1.00 0.00 H new ATOM 834 N LYS A 53 19.568 0.596 -17.218 1.00 0.00 N ATOM 835 CA LYS A 53 18.245 0.506 -17.817 1.00 0.00 C ATOM 836 C LYS A 53 17.363 -0.453 -17.033 1.00 0.00 C ATOM 837 O LYS A 53 17.831 -1.483 -16.546 1.00 0.00 O ATOM 838 CB LYS A 53 18.348 0.030 -19.272 1.00 0.00 C ATOM 839 CG LYS A 53 19.168 0.935 -20.186 1.00 0.00 C ATOM 840 CD LYS A 53 18.326 2.038 -20.818 1.00 0.00 C ATOM 841 CE LYS A 53 17.855 3.061 -19.796 1.00 0.00 C ATOM 842 NZ LYS A 53 17.038 4.137 -20.419 1.00 0.00 N ATOM 0 H LYS A 53 20.109 -0.267 -17.266 1.00 0.00 H new ATOM 0 HA LYS A 53 17.797 1.499 -17.793 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.788 -0.967 -19.283 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.342 -0.061 -19.682 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.981 1.384 -19.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.625 0.335 -20.973 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.909 2.540 -21.590 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.461 1.595 -21.311 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.268 2.560 -19.026 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.720 3.503 -19.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.738 4.813 -19.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.605 4.633 -21.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.199 3.719 -20.870 1.00 0.00 H new ATOM 856 N LEU A 54 16.090 -0.109 -16.918 1.00 0.00 N ATOM 857 CA LEU A 54 15.126 -0.952 -16.228 1.00 0.00 C ATOM 858 C LEU A 54 14.138 -1.523 -17.232 1.00 0.00 C ATOM 859 O LEU A 54 13.433 -0.783 -17.913 1.00 0.00 O ATOM 860 CB LEU A 54 14.371 -0.171 -15.146 1.00 0.00 C ATOM 861 CG LEU A 54 15.230 0.471 -14.052 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.319 -0.483 -13.602 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.822 1.792 -14.523 1.00 0.00 C ATOM 0 H LEU A 54 15.698 0.754 -17.296 1.00 0.00 H new ATOM 0 HA LEU A 54 15.670 -1.761 -15.741 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.792 0.614 -15.632 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.659 -0.845 -14.671 1.00 0.00 H new ATOM 0 HG LEU A 54 14.587 0.683 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.919 -0.010 -12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.866 -1.392 -13.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.956 -0.734 -14.450 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.427 2.225 -13.726 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.447 1.619 -15.399 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.017 2.480 -14.782 1.00 0.00 H new ATOM 875 N GLN A 55 14.097 -2.834 -17.330 1.00 0.00 N ATOM 876 CA GLN A 55 13.226 -3.500 -18.279 1.00 0.00 C ATOM 877 C GLN A 55 12.070 -4.191 -17.568 1.00 0.00 C ATOM 878 O GLN A 55 12.264 -5.164 -16.849 1.00 0.00 O ATOM 879 CB GLN A 55 14.026 -4.511 -19.091 1.00 0.00 C ATOM 880 CG GLN A 55 13.171 -5.463 -19.906 1.00 0.00 C ATOM 881 CD GLN A 55 13.993 -6.453 -20.701 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.327 -7.534 -20.217 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.309 -6.097 -21.933 1.00 0.00 N ATOM 0 H GLN A 55 14.660 -3.465 -16.760 1.00 0.00 H new ATOM 0 HA GLN A 55 12.808 -2.750 -18.950 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.695 -3.974 -19.763 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.653 -5.091 -18.414 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.502 -6.006 -19.238 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.544 -4.888 -20.587 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.011 -5.191 -22.294 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.851 -6.728 -22.523 1.00 0.00 H new ATOM 892 N TYR A 56 10.872 -3.692 -17.786 1.00 0.00 N ATOM 893 CA TYR A 56 9.681 -4.271 -17.183 1.00 0.00 C ATOM 894 C TYR A 56 8.933 -5.081 -18.209 1.00 0.00 C ATOM 895 O TYR A 56 8.384 -4.535 -19.157 1.00 0.00 O ATOM 896 CB TYR A 56 8.790 -3.181 -16.593 1.00 0.00 C ATOM 897 CG TYR A 56 7.412 -3.654 -16.150 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.252 -4.818 -15.406 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.270 -2.925 -16.471 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.999 -5.243 -15.001 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.016 -3.345 -16.069 1.00 0.00 C ATOM 902 CZ TYR A 56 4.885 -4.503 -15.333 1.00 0.00 C ATOM 903 OH TYR A 56 3.636 -4.919 -14.927 1.00 0.00 O ATOM 0 H TYR A 56 10.692 -2.882 -18.379 1.00 0.00 H new ATOM 0 HA TYR A 56 9.982 -4.930 -16.369 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.299 -2.738 -15.737 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.667 -2.391 -17.334 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.121 -5.401 -15.140 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.366 -2.015 -17.044 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.894 -6.152 -14.427 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.142 -2.768 -16.331 1.00 0.00 H new ATOM 0 HH TYR A 56 2.961 -4.283 -15.244 1.00 0.00 H new ATOM 913 N GLU A 57 8.965 -6.391 -18.017 1.00 0.00 N ATOM 914 CA GLU A 57 8.303 -7.332 -18.907 1.00 0.00 C ATOM 915 C GLU A 57 8.795 -7.185 -20.345 1.00 0.00 C ATOM 916 O GLU A 57 8.072 -7.469 -21.298 1.00 0.00 O ATOM 917 CB GLU A 57 6.792 -7.134 -18.826 1.00 0.00 C ATOM 918 CG GLU A 57 6.217 -7.578 -17.499 1.00 0.00 C ATOM 919 CD GLU A 57 6.286 -9.080 -17.311 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.348 -9.782 -17.743 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.278 -9.567 -16.728 1.00 0.00 O ATOM 0 H GLU A 57 9.452 -6.832 -17.237 1.00 0.00 H new ATOM 0 HA GLU A 57 8.550 -8.344 -18.586 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.558 -6.081 -18.985 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.313 -7.692 -19.630 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.759 -7.088 -16.690 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.179 -7.254 -17.430 1.00 0.00 H new ATOM 928 N GLY A 58 10.049 -6.776 -20.488 1.00 0.00 N ATOM 929 CA GLY A 58 10.642 -6.648 -21.807 1.00 0.00 C ATOM 930 C GLY A 58 10.541 -5.236 -22.350 1.00 0.00 C ATOM 931 O GLY A 58 10.710 -5.005 -23.546 1.00 0.00 O ATOM 0 H GLY A 58 10.667 -6.530 -19.715 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.690 -6.943 -21.762 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.147 -7.335 -22.493 1.00 0.00 H new ATOM 935 N ILE A 59 10.278 -4.288 -21.462 1.00 0.00 N ATOM 936 CA ILE A 59 10.118 -2.900 -21.853 1.00 0.00 C ATOM 937 C ILE A 59 11.148 -2.050 -21.133 1.00 0.00 C ATOM 938 O ILE A 59 11.145 -1.987 -19.906 1.00 0.00 O ATOM 939 CB ILE A 59 8.705 -2.377 -21.501 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.641 -3.399 -21.912 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.452 -1.037 -22.178 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.253 -3.090 -21.381 1.00 0.00 C ATOM 0 H ILE A 59 10.171 -4.459 -20.462 1.00 0.00 H new ATOM 0 HA ILE A 59 10.256 -2.835 -22.932 1.00 0.00 H new ATOM 0 HB ILE A 59 8.645 -2.233 -20.422 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.600 -3.449 -23.000 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.943 -4.385 -21.559 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.454 -0.682 -21.921 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.193 -0.313 -21.840 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.528 -1.155 -23.259 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.556 -3.859 -21.715 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.276 -3.070 -20.291 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.928 -2.119 -21.755 1.00 0.00 H new ATOM 954 N PHE A 60 12.046 -1.425 -21.883 1.00 0.00 N ATOM 955 CA PHE A 60 13.038 -0.540 -21.285 1.00 0.00 C ATOM 956 C PHE A 60 12.379 0.752 -20.831 1.00 0.00 C ATOM 957 O PHE A 60 12.253 1.707 -21.601 1.00 0.00 O ATOM 958 CB PHE A 60 14.177 -0.240 -22.262 1.00 0.00 C ATOM 959 CG PHE A 60 15.062 -1.419 -22.536 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.336 -2.339 -21.538 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.638 -1.595 -23.783 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.166 -3.417 -21.780 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.465 -2.673 -24.032 1.00 0.00 C ATOM 964 CZ PHE A 60 16.731 -3.584 -23.030 1.00 0.00 C ATOM 0 H PHE A 60 12.109 -1.513 -22.897 1.00 0.00 H new ATOM 0 HA PHE A 60 13.465 -1.047 -20.419 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.754 0.112 -23.203 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.783 0.573 -21.861 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.896 -2.213 -20.560 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.438 -0.882 -24.569 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.373 -4.128 -20.994 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.903 -2.803 -25.010 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.380 -4.426 -23.222 1.00 0.00 H new ATOM 974 N ILE A 61 11.946 0.759 -19.583 1.00 0.00 N ATOM 975 CA ILE A 61 11.199 1.886 -19.034 1.00 0.00 C ATOM 976 C ILE A 61 12.135 3.052 -18.709 1.00 0.00 C ATOM 977 O ILE A 61 13.338 2.866 -18.524 1.00 0.00 O ATOM 978 CB ILE A 61 10.395 1.472 -17.775 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.317 1.327 -16.554 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.626 0.182 -18.044 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.924 0.217 -15.597 1.00 0.00 C ATOM 0 H ILE A 61 12.098 -0.005 -18.925 1.00 0.00 H new ATOM 0 HA ILE A 61 10.489 2.211 -19.795 1.00 0.00 H new ATOM 0 HB ILE A 61 9.676 2.259 -17.548 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.334 1.146 -16.902 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.329 2.271 -16.010 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.065 -0.100 -17.153 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.936 0.336 -18.874 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.327 -0.613 -18.298 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.628 0.187 -14.766 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.920 0.404 -15.215 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.941 -0.738 -16.121 1.00 0.00 H new ATOM 993 N LYS A 62 11.580 4.254 -18.660 1.00 0.00 N ATOM 994 CA LYS A 62 12.372 5.448 -18.402 1.00 0.00 C ATOM 995 C LYS A 62 11.867 6.173 -17.162 1.00 0.00 C ATOM 996 O LYS A 62 10.723 5.979 -16.745 1.00 0.00 O ATOM 997 CB LYS A 62 12.359 6.369 -19.630 1.00 0.00 C ATOM 998 CG LYS A 62 10.970 6.740 -20.127 1.00 0.00 C ATOM 999 CD LYS A 62 10.925 6.746 -21.649 1.00 0.00 C ATOM 1000 CE LYS A 62 9.558 7.141 -22.187 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.384 8.615 -22.284 1.00 0.00 N ATOM 0 H LYS A 62 10.584 4.429 -18.795 1.00 0.00 H new ATOM 0 HA LYS A 62 13.403 5.149 -18.212 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.901 7.283 -19.388 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.902 5.882 -20.440 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.239 6.031 -19.740 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.693 7.723 -19.746 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.676 7.438 -22.029 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.187 5.756 -22.021 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.418 6.697 -23.173 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.784 6.730 -21.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.437 8.829 -22.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.490 9.040 -21.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.104 9.008 -22.924 1.00 0.00 H new ATOM 1015 N ASP A 63 12.719 7.016 -16.591 1.00 0.00 N ATOM 1016 CA ASP A 63 12.430 7.692 -15.323 1.00 0.00 C ATOM 1017 C ASP A 63 11.355 8.758 -15.489 1.00 0.00 C ATOM 1018 O ASP A 63 10.875 9.323 -14.512 1.00 0.00 O ATOM 1019 CB ASP A 63 13.704 8.328 -14.760 1.00 0.00 C ATOM 1020 CG ASP A 63 14.187 9.507 -15.583 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.577 9.303 -16.753 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.186 10.644 -15.064 1.00 0.00 O ATOM 0 H ASP A 63 13.628 7.253 -16.989 1.00 0.00 H new ATOM 0 HA ASP A 63 12.058 6.941 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.519 8.656 -13.737 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.491 7.575 -14.716 1.00 0.00 H new ATOM 1027 N SER A 64 10.982 9.029 -16.727 1.00 0.00 N ATOM 1028 CA SER A 64 9.922 9.982 -17.007 1.00 0.00 C ATOM 1029 C SER A 64 8.560 9.295 -16.933 1.00 0.00 C ATOM 1030 O SER A 64 7.518 9.924 -17.117 1.00 0.00 O ATOM 1031 CB SER A 64 10.130 10.593 -18.388 1.00 0.00 C ATOM 1032 OG SER A 64 11.473 11.022 -18.555 1.00 0.00 O ATOM 0 H SER A 64 11.397 8.603 -17.555 1.00 0.00 H new ATOM 0 HA SER A 64 9.951 10.775 -16.260 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.880 9.861 -19.156 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.455 11.438 -18.522 1.00 0.00 H new ATOM 0 HG SER A 64 11.584 11.409 -19.448 1.00 0.00 H new ATOM 1038 N ASN A 65 8.585 7.993 -16.670 1.00 0.00 N ATOM 1039 CA ASN A 65 7.373 7.211 -16.520 1.00 0.00 C ATOM 1040 C ASN A 65 7.206 6.813 -15.068 1.00 0.00 C ATOM 1041 O ASN A 65 8.125 6.971 -14.262 1.00 0.00 O ATOM 1042 CB ASN A 65 7.418 5.952 -17.387 1.00 0.00 C ATOM 1043 CG ASN A 65 7.327 6.248 -18.867 1.00 0.00 C ATOM 1044 OD1 ASN A 65 6.715 7.226 -19.284 1.00 0.00 O ATOM 1045 ND2 ASN A 65 7.924 5.391 -19.677 1.00 0.00 N ATOM 0 H ASN A 65 9.445 7.456 -16.556 1.00 0.00 H new ATOM 0 HA ASN A 65 6.530 7.822 -16.842 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.344 5.413 -17.187 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.598 5.293 -17.103 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.885 5.532 -20.687 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.424 4.589 -19.293 1.00 0.00 H new ATOM 1052 N SER A 66 6.058 6.263 -14.742 1.00 0.00 N ATOM 1053 CA SER A 66 5.769 5.891 -13.381 1.00 0.00 C ATOM 1054 C SER A 66 5.351 4.433 -13.329 1.00 0.00 C ATOM 1055 O SER A 66 5.149 3.802 -14.370 1.00 0.00 O ATOM 1056 CB SER A 66 4.672 6.800 -12.830 1.00 0.00 C ATOM 1057 OG SER A 66 3.456 6.621 -13.539 1.00 0.00 O ATOM 0 H SER A 66 5.309 6.064 -15.405 1.00 0.00 H new ATOM 0 HA SER A 66 6.659 6.011 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.515 6.586 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.988 7.841 -12.901 1.00 0.00 H new ATOM 0 HG SER A 66 2.770 7.213 -13.166 1.00 0.00 H new ATOM 1063 N LEU A 67 5.233 3.899 -12.129 1.00 0.00 N ATOM 1064 CA LEU A 67 4.814 2.520 -11.960 1.00 0.00 C ATOM 1065 C LEU A 67 3.367 2.373 -12.412 1.00 0.00 C ATOM 1066 O LEU A 67 3.012 1.419 -13.107 1.00 0.00 O ATOM 1067 CB LEU A 67 4.961 2.112 -10.497 1.00 0.00 C ATOM 1068 CG LEU A 67 6.263 2.567 -9.828 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.227 2.291 -8.337 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.467 1.891 -10.463 1.00 0.00 C ATOM 0 H LEU A 67 5.421 4.397 -11.259 1.00 0.00 H new ATOM 0 HA LEU A 67 5.442 1.868 -12.567 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.120 2.518 -9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.895 1.026 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 67 6.357 3.643 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.161 2.622 -7.883 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.394 2.831 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.100 1.222 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.378 2.231 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.377 0.810 -10.353 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.511 2.146 -11.522 1.00 0.00 H new ATOM 1082 N ALA A 68 2.539 3.337 -12.011 1.00 0.00 N ATOM 1083 CA ALA A 68 1.144 3.395 -12.437 1.00 0.00 C ATOM 1084 C ALA A 68 1.032 3.489 -13.953 1.00 0.00 C ATOM 1085 O ALA A 68 0.116 2.925 -14.545 1.00 0.00 O ATOM 1086 CB ALA A 68 0.444 4.579 -11.788 1.00 0.00 C ATOM 0 H ALA A 68 2.815 4.094 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 68 0.658 2.473 -12.118 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.596 4.611 -12.114 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.481 4.474 -10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.944 5.502 -12.080 1.00 0.00 H new ATOM 1092 N TYR A 69 1.975 4.194 -14.569 1.00 0.00 N ATOM 1093 CA TYR A 69 1.995 4.363 -16.018 1.00 0.00 C ATOM 1094 C TYR A 69 2.055 3.009 -16.724 1.00 0.00 C ATOM 1095 O TYR A 69 1.306 2.755 -17.671 1.00 0.00 O ATOM 1096 CB TYR A 69 3.193 5.232 -16.424 1.00 0.00 C ATOM 1097 CG TYR A 69 3.332 5.445 -17.913 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.697 6.503 -18.545 1.00 0.00 C ATOM 1099 CD2 TYR A 69 4.102 4.586 -18.684 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.826 6.701 -19.906 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.236 4.778 -20.043 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.597 5.836 -20.651 1.00 0.00 C ATOM 1103 OH TYR A 69 3.725 6.022 -22.011 1.00 0.00 O ATOM 0 H TYR A 69 2.741 4.661 -14.083 1.00 0.00 H new ATOM 0 HA TYR A 69 1.074 4.861 -16.323 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.104 6.203 -15.937 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.106 4.770 -16.048 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.092 7.183 -17.964 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.604 3.754 -18.213 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.325 7.530 -20.384 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.840 4.101 -20.629 1.00 0.00 H new ATOM 0 HH TYR A 69 4.304 5.325 -22.384 1.00 0.00 H new ATOM 1113 N TYR A 70 2.943 2.138 -16.255 1.00 0.00 N ATOM 1114 CA TYR A 70 3.093 0.813 -16.850 1.00 0.00 C ATOM 1115 C TYR A 70 2.193 -0.210 -16.169 1.00 0.00 C ATOM 1116 O TYR A 70 2.258 -1.400 -16.472 1.00 0.00 O ATOM 1117 CB TYR A 70 4.548 0.350 -16.786 1.00 0.00 C ATOM 1118 CG TYR A 70 5.424 0.967 -17.849 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.379 0.503 -19.158 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.287 2.012 -17.552 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.172 1.062 -20.138 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.083 2.574 -18.528 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.020 2.097 -19.819 1.00 0.00 C ATOM 1124 OH TYR A 70 7.809 2.661 -20.794 1.00 0.00 O ATOM 0 H TYR A 70 3.567 2.323 -15.469 1.00 0.00 H new ATOM 0 HA TYR A 70 2.792 0.891 -17.895 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.955 0.593 -15.805 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.580 -0.735 -16.885 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.713 -0.308 -19.412 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.336 2.391 -16.542 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.127 0.689 -21.151 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.753 3.384 -18.281 1.00 0.00 H new ATOM 0 HH TYR A 70 7.327 3.402 -21.217 1.00 0.00 H new ATOM 1134 N ASN A 71 1.354 0.268 -15.252 1.00 0.00 N ATOM 1135 CA ASN A 71 0.393 -0.579 -14.548 1.00 0.00 C ATOM 1136 C ASN A 71 1.099 -1.692 -13.779 1.00 0.00 C ATOM 1137 O ASN A 71 0.654 -2.843 -13.791 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.617 -1.189 -15.526 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.463 -0.150 -16.243 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.886 -0.358 -17.379 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.714 0.974 -15.591 1.00 0.00 N ATOM 0 H ASN A 71 1.321 1.250 -14.977 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.139 0.053 -13.837 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.082 -1.785 -16.265 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.273 -1.869 -14.983 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.276 1.704 -16.030 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.346 1.111 -14.650 1.00 0.00 H new ATOM 1148 N MET A 72 2.191 -1.340 -13.104 1.00 0.00 N ATOM 1149 CA MET A 72 2.954 -2.308 -12.323 1.00 0.00 C ATOM 1150 C MET A 72 2.149 -2.800 -11.126 1.00 0.00 C ATOM 1151 O MET A 72 2.140 -2.176 -10.066 1.00 0.00 O ATOM 1152 CB MET A 72 4.274 -1.704 -11.842 1.00 0.00 C ATOM 1153 CG MET A 72 5.243 -1.386 -12.963 1.00 0.00 C ATOM 1154 SD MET A 72 6.829 -0.794 -12.352 1.00 0.00 S ATOM 1155 CE MET A 72 7.769 -0.723 -13.869 1.00 0.00 C ATOM 0 H MET A 72 2.566 -0.392 -13.083 1.00 0.00 H new ATOM 0 HA MET A 72 3.170 -3.155 -12.974 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.064 -0.791 -11.285 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.749 -2.398 -11.149 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.400 -2.279 -13.568 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.804 -0.632 -13.616 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.802 -0.458 -13.645 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.742 -1.696 -14.360 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.337 0.029 -14.530 1.00 0.00 H new ATOM 1165 N ALA A 73 1.447 -3.903 -11.320 1.00 0.00 N ATOM 1166 CA ALA A 73 0.657 -4.506 -10.260 1.00 0.00 C ATOM 1167 C ALA A 73 1.554 -5.218 -9.257 1.00 0.00 C ATOM 1168 O ALA A 73 2.781 -5.180 -9.365 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.359 -5.473 -10.847 1.00 0.00 C ATOM 0 H ALA A 73 1.408 -4.402 -12.209 1.00 0.00 H new ATOM 0 HA ALA A 73 0.123 -3.714 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.945 -5.918 -10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.023 -4.936 -11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.161 -6.259 -11.395 1.00 0.00 H new ATOM 1175 N ASN A 74 0.944 -5.870 -8.281 1.00 0.00 N ATOM 1176 CA ASN A 74 1.698 -6.573 -7.257 1.00 0.00 C ATOM 1177 C ASN A 74 2.452 -7.747 -7.873 1.00 0.00 C ATOM 1178 O ASN A 74 1.845 -8.695 -8.371 1.00 0.00 O ATOM 1179 CB ASN A 74 0.754 -7.061 -6.155 1.00 0.00 C ATOM 1180 CG ASN A 74 1.476 -7.796 -5.041 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.637 -7.518 -4.746 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.791 -8.734 -4.407 1.00 0.00 N ATOM 0 H ASN A 74 -0.069 -5.927 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 74 2.424 -5.889 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.222 -6.207 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.004 -7.720 -6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.225 -9.255 -3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.171 -8.936 -4.681 1.00 0.00 H new ATOM 1189 N GLY A 75 3.776 -7.677 -7.834 1.00 0.00 N ATOM 1190 CA GLY A 75 4.585 -8.714 -8.434 1.00 0.00 C ATOM 1191 C GLY A 75 5.220 -8.269 -9.735 1.00 0.00 C ATOM 1192 O GLY A 75 5.486 -9.092 -10.614 1.00 0.00 O ATOM 0 H GLY A 75 4.302 -6.920 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.366 -9.012 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.967 -9.593 -8.616 1.00 0.00 H new ATOM 1196 N ALA A 76 5.474 -6.968 -9.860 1.00 0.00 N ATOM 1197 CA ALA A 76 6.092 -6.426 -11.062 1.00 0.00 C ATOM 1198 C ALA A 76 7.569 -6.799 -11.108 1.00 0.00 C ATOM 1199 O ALA A 76 8.358 -6.374 -10.263 1.00 0.00 O ATOM 1200 CB ALA A 76 5.913 -4.917 -11.116 1.00 0.00 C ATOM 0 H ALA A 76 5.261 -6.273 -9.144 1.00 0.00 H new ATOM 0 HA ALA A 76 5.602 -6.857 -11.935 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.380 -4.527 -12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.850 -4.677 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.380 -4.464 -10.242 1.00 0.00 H new ATOM 1206 N VAL A 77 7.936 -7.606 -12.094 1.00 0.00 N ATOM 1207 CA VAL A 77 9.310 -8.067 -12.226 1.00 0.00 C ATOM 1208 C VAL A 77 10.083 -7.185 -13.200 1.00 0.00 C ATOM 1209 O VAL A 77 9.909 -7.279 -14.418 1.00 0.00 O ATOM 1210 CB VAL A 77 9.382 -9.534 -12.711 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.821 -10.029 -12.715 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.508 -10.436 -11.853 1.00 0.00 C ATOM 0 H VAL A 77 7.302 -7.954 -12.813 1.00 0.00 H new ATOM 0 HA VAL A 77 9.759 -8.006 -11.235 1.00 0.00 H new ATOM 0 HB VAL A 77 9.003 -9.569 -13.732 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.849 -11.063 -13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.418 -9.408 -13.383 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.228 -9.972 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.577 -11.462 -12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.847 -10.394 -10.818 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.473 -10.100 -11.910 1.00 0.00 H new ATOM 1222 N ILE A 78 10.917 -6.315 -12.662 1.00 0.00 N ATOM 1223 CA ILE A 78 11.761 -5.473 -13.493 1.00 0.00 C ATOM 1224 C ILE A 78 13.115 -6.130 -13.648 1.00 0.00 C ATOM 1225 O ILE A 78 13.569 -6.846 -12.764 1.00 0.00 O ATOM 1226 CB ILE A 78 11.951 -4.050 -12.915 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.642 -3.536 -12.312 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.430 -3.097 -14.001 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.439 -3.684 -13.219 1.00 0.00 C ATOM 0 H ILE A 78 11.029 -6.172 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 78 11.262 -5.365 -14.456 1.00 0.00 H new ATOM 0 HB ILE A 78 12.704 -4.098 -12.129 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.449 -4.071 -11.382 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.762 -2.483 -12.056 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.559 -2.100 -13.579 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.382 -3.448 -14.400 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.693 -3.059 -14.803 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.554 -3.296 -12.715 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.607 -3.126 -14.140 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.289 -4.737 -13.456 1.00 0.00 H new ATOM 1241 N HIS A 79 13.736 -5.919 -14.784 1.00 0.00 N ATOM 1242 CA HIS A 79 15.045 -6.476 -15.053 1.00 0.00 C ATOM 1243 C HIS A 79 16.028 -5.346 -15.223 1.00 0.00 C ATOM 1244 O HIS A 79 15.867 -4.510 -16.110 1.00 0.00 O ATOM 1245 CB HIS A 79 15.038 -7.340 -16.323 1.00 0.00 C ATOM 1246 CG HIS A 79 14.052 -8.471 -16.300 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.391 -9.779 -16.559 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.722 -8.470 -16.082 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.308 -10.532 -16.505 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.276 -9.761 -16.215 1.00 0.00 N ATOM 0 H HIS A 79 13.353 -5.360 -15.546 1.00 0.00 H new ATOM 0 HA HIS A 79 15.330 -7.112 -14.215 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.821 -6.702 -17.180 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.037 -7.749 -16.475 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.116 -7.608 -15.845 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.272 -11.599 -16.670 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.311 -10.072 -16.108 1.00 0.00 H new ATOM 1259 N LEU A 80 17.017 -5.299 -14.363 1.00 0.00 N ATOM 1260 CA LEU A 80 18.063 -4.308 -14.489 1.00 0.00 C ATOM 1261 C LEU A 80 19.063 -4.767 -15.535 1.00 0.00 C ATOM 1262 O LEU A 80 19.488 -5.922 -15.538 1.00 0.00 O ATOM 1263 CB LEU A 80 18.781 -4.072 -13.160 1.00 0.00 C ATOM 1264 CG LEU A 80 20.044 -3.210 -13.257 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.710 -1.826 -13.784 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.737 -3.108 -11.915 1.00 0.00 C ATOM 0 H LEU A 80 17.121 -5.932 -13.570 1.00 0.00 H new ATOM 0 HA LEU A 80 17.605 -3.366 -14.791 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.086 -3.597 -12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.049 -5.038 -12.731 1.00 0.00 H new ATOM 0 HG LEU A 80 20.725 -3.694 -13.957 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.621 -1.230 -13.845 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.265 -1.912 -14.775 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.004 -1.341 -13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.630 -2.491 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.061 -2.656 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.020 -4.104 -11.575 1.00 0.00 H new ATOM 1278 N ALA A 81 19.433 -3.870 -16.420 1.00 0.00 N ATOM 1279 CA ALA A 81 20.362 -4.195 -17.472 1.00 0.00 C ATOM 1280 C ALA A 81 21.237 -3.001 -17.780 1.00 0.00 C ATOM 1281 O ALA A 81 20.803 -1.854 -17.661 1.00 0.00 O ATOM 1282 CB ALA A 81 19.608 -4.645 -18.712 1.00 0.00 C ATOM 0 H ALA A 81 19.102 -2.905 -16.430 1.00 0.00 H new ATOM 0 HA ALA A 81 21.002 -5.013 -17.142 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.319 -4.888 -19.502 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.012 -5.527 -18.476 1.00 0.00 H new ATOM 0 HB3 ALA A 81 18.951 -3.843 -19.050 1.00 0.00 H new ATOM 1288 N LEU A 82 22.476 -3.264 -18.146 1.00 0.00 N ATOM 1289 CA LEU A 82 23.379 -2.200 -18.524 1.00 0.00 C ATOM 1290 C LEU A 82 23.089 -1.774 -19.959 1.00 0.00 C ATOM 1291 O LEU A 82 22.825 -2.616 -20.817 1.00 0.00 O ATOM 1292 CB LEU A 82 24.834 -2.647 -18.379 1.00 0.00 C ATOM 1293 CG LEU A 82 25.867 -1.528 -18.520 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.608 -0.430 -17.502 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.269 -2.077 -18.342 1.00 0.00 C ATOM 0 H LEU A 82 22.877 -4.201 -18.189 1.00 0.00 H new ATOM 0 HA LEU A 82 23.224 -1.350 -17.860 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.959 -3.117 -17.403 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.041 -3.410 -19.129 1.00 0.00 H new ATOM 0 HG LEU A 82 25.777 -1.106 -19.521 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.353 0.357 -17.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.613 -0.014 -17.661 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.672 -0.844 -16.496 1.00 0.00 H new ATOM 0 HD21 LEU A 82 27.992 -1.268 -18.445 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.362 -2.523 -17.352 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.462 -2.835 -19.101 1.00 0.00 H new