USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot 87:sc= 0.756 USER MOD Set 1.2: A 120 GLN : amide:sc= -4.74! C(o=-4!,f=-9.2!) USER MOD Set 2.1: A 106 GLN : amide:sc= -5.99! C(o=-7.3!,f=-8.8!) USER MOD Set 2.2: A 108 TYR OH : rot 63:sc= -1.3! USER MOD Set 3.1: A 69 TYR OH : rot 76:sc= 0.0238 USER MOD Set 3.2: A 70 GLN : amide:sc= -0.0894 X(o=-0.066,f=0) USER MOD Set 4.1: A 57 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-9.5!) USER MOD Set 4.2: A 59 TYR OH : rot -80:sc= -0.0204 USER MOD Set 5.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 58 MET CE :methyl 153:sc= -0.271 (180deg=-2.66!) USER MOD Set 6.1: A 20 TYR OH : rot 30:sc= 0 USER MOD Set 6.2: A 22 CYS SG : rot -105:sc= 0.53 USER MOD Set 6.3: A 26 CYS SG : rot 160:sc= -0.812 USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0186 (180deg=-0.193) USER MOD Single : A 1 SER OG : rot 70:sc= 0.629 USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= -0.321 (180deg=-1.48!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -134:sc= -0.0574 (180deg=-0.491) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.758 X(o=-0.76,f=-0.51) USER MOD Single : A 16 GLN : amide:sc= -0.0357 K(o=-0.036,f=-0.84) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 172:sc= -3.17! USER MOD Single : A 37 ASN : amide:sc= -12.2! K(o=-12!,f=-1.5) USER MOD Single : A 38 SER OG : rot -107:sc= 0.287 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.03! C(o=-2!,f=-6.2!) USER MOD Single : A 55 SER OG : rot 57:sc= 0.226 USER MOD Single : A 63 GLN : amide:sc= -0.98 K(o=-0.98,f=-2.9!) USER MOD Single : A 66 TYR OH : rot 26:sc= 0.123 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0143 K(o=0.014,f=-10!) USER MOD Single : A 81 SER OG : rot -169:sc= -0.245! USER MOD Single : A 82 CYS SG : rot 180:sc= -0.154 USER MOD Single : A 86 HIS : no HD1:sc= -0.0453 K(o=-0.045,f=-1.5) USER MOD Single : A 88 SER OG : rot -160:sc= -0.197 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -6.52! C(o=-6.5!,f=-5.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -2.95 K(o=-3,f=-1) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.728) USER MOD Single : A 104 ASN : amide:sc= -0.633 K(o=-0.63,f=-2) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -125:sc= 0.266 USER MOD Single : A 111 THR OG1 : rot 80:sc= 0.447 USER MOD Single : A 116 SER OG : rot 41:sc= -0.406 USER MOD Single : A 118 MET CE :methyl 177:sc= 0 (180deg=-0.00685) USER MOD Single : A 122 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.55) USER MOD Single : A 127 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-0.7) USER MOD Single : A 128 SER OG : rot 122:sc= -0.55 USER MOD Single : A 129 CYS SG : rot -177:sc= 1.08 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 23:sc= -0.436 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 143 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.6!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -3.24! K(o=-3.2!,f=-0.89) USER MOD Single : A 149 TYR OH : rot 24:sc= -0.355 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot -37:sc= -1.3! USER MOD Single : A 158 LYS NZ :NH3+ -153:sc= -0.179 (180deg=-0.809) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0633 USER MOD Single : A 170 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.7!) USER MOD Single : A 171 SER OG : rot -153:sc= 0.0133 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.508 -13.401 -7.757 1.00 4.50 N ATOM 2 CA SER A 1 -17.284 -13.061 -6.977 1.00 4.52 C ATOM 3 C SER A 1 -17.679 -12.646 -5.558 1.00 3.57 C ATOM 4 O SER A 1 -17.040 -11.817 -4.941 1.00 3.03 O ATOM 5 CB SER A 1 -16.555 -11.904 -7.659 1.00 4.81 C ATOM 6 OG SER A 1 -17.162 -10.678 -7.276 1.00 5.28 O ATOM 0 H1 SER A 1 -18.265 -13.484 -8.765 1.00 4.50 H new ATOM 0 H2 SER A 1 -18.896 -14.305 -7.418 1.00 4.50 H new ATOM 0 H3 SER A 1 -19.218 -12.651 -7.633 1.00 4.50 H new ATOM 0 HA SER A 1 -16.629 -13.931 -6.931 1.00 4.52 H new ATOM 0 HB2 SER A 1 -15.502 -11.906 -7.377 1.00 4.81 H new ATOM 0 HB3 SER A 1 -16.596 -12.021 -8.742 1.00 4.81 H new ATOM 0 HG SER A 1 -16.967 -10.497 -6.333 1.00 5.28 H new ATOM 14 N LYS A 2 -18.729 -13.216 -5.036 1.00 3.60 N ATOM 15 CA LYS A 2 -19.163 -12.857 -3.657 1.00 3.08 C ATOM 16 C LYS A 2 -18.205 -13.492 -2.647 1.00 2.11 C ATOM 17 O LYS A 2 -18.321 -14.654 -2.310 1.00 2.12 O ATOM 18 CB LYS A 2 -20.585 -13.380 -3.412 1.00 3.28 C ATOM 19 CG LYS A 2 -21.555 -12.800 -4.463 1.00 3.95 C ATOM 20 CD LYS A 2 -22.081 -11.422 -4.013 1.00 4.66 C ATOM 21 CE LYS A 2 -23.304 -11.594 -3.099 1.00 5.66 C ATOM 22 NZ LYS A 2 -24.367 -12.346 -3.824 1.00 5.96 N ATOM 0 H LYS A 2 -19.305 -13.915 -5.505 1.00 3.60 H new ATOM 0 HA LYS A 2 -19.153 -11.773 -3.542 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -20.593 -14.469 -3.461 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -20.915 -13.103 -2.411 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -21.046 -12.706 -5.422 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -22.391 -13.484 -4.611 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -21.297 -10.880 -3.485 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -22.350 -10.825 -4.884 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -23.021 -12.128 -2.192 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -23.680 -10.619 -2.790 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -25.302 -12.035 -3.490 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -24.286 -12.164 -4.845 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -24.256 -13.364 -3.644 1.00 5.96 H new ATOM 36 N THR A 3 -17.282 -12.718 -2.135 1.00 1.72 N ATOM 37 CA THR A 3 -16.330 -13.242 -1.104 1.00 1.18 C ATOM 38 C THR A 3 -16.711 -12.649 0.254 1.00 1.02 C ATOM 39 O THR A 3 -17.880 -12.531 0.563 1.00 1.63 O ATOM 40 CB THR A 3 -14.894 -12.816 -1.416 1.00 1.48 C ATOM 41 OG1 THR A 3 -14.826 -11.400 -1.500 1.00 2.13 O ATOM 42 CG2 THR A 3 -14.455 -13.429 -2.746 1.00 2.22 C ATOM 0 H THR A 3 -17.145 -11.739 -2.387 1.00 1.72 H new ATOM 0 HA THR A 3 -16.388 -14.330 -1.099 1.00 1.18 H new ATOM 0 HB THR A 3 -14.233 -13.164 -0.622 1.00 1.48 H new ATOM 0 HG1 THR A 3 -13.906 -11.128 -1.698 1.00 2.13 H new ATOM 0 HG21 THR A 3 -13.432 -13.125 -2.967 1.00 2.22 H new ATOM 0 HG22 THR A 3 -14.504 -14.516 -2.679 1.00 2.22 H new ATOM 0 HG23 THR A 3 -15.116 -13.084 -3.541 1.00 2.22 H new ATOM 50 N GLY A 4 -15.774 -12.268 1.077 1.00 0.52 N ATOM 51 CA GLY A 4 -16.145 -11.686 2.403 1.00 0.30 C ATOM 52 C GLY A 4 -14.842 -11.471 3.178 1.00 0.41 C ATOM 53 O GLY A 4 -14.379 -12.330 3.901 1.00 0.81 O ATOM 0 H GLY A 4 -14.773 -12.333 0.893 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -16.678 -10.744 2.275 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.810 -12.357 2.946 1.00 0.30 H new ATOM 57 N GLY A 5 -14.244 -10.321 3.006 1.00 0.01 N ATOM 58 CA GLY A 5 -12.960 -10.029 3.701 1.00 0.01 C ATOM 59 C GLY A 5 -13.212 -9.654 5.160 1.00 0.01 C ATOM 60 O GLY A 5 -14.219 -9.070 5.501 1.00 0.01 O ATOM 0 H GLY A 5 -14.593 -9.570 2.411 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.307 -10.900 3.651 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.443 -9.214 3.194 1.00 0.01 H new ATOM 64 N LYS A 6 -12.291 -9.984 6.020 1.00 0.00 N ATOM 65 CA LYS A 6 -12.444 -9.651 7.465 1.00 0.01 C ATOM 66 C LYS A 6 -11.054 -9.536 8.092 1.00 0.01 C ATOM 67 O LYS A 6 -10.173 -10.338 7.822 1.00 0.00 O ATOM 68 CB LYS A 6 -13.252 -10.742 8.180 1.00 0.02 C ATOM 69 CG LYS A 6 -13.764 -10.206 9.524 1.00 0.02 C ATOM 70 CD LYS A 6 -14.421 -11.339 10.337 1.00 0.02 C ATOM 71 CE LYS A 6 -15.885 -11.519 9.913 1.00 0.02 C ATOM 72 NZ LYS A 6 -16.685 -10.347 10.372 1.00 0.02 N ATOM 0 H LYS A 6 -11.429 -10.475 5.782 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.977 -8.706 7.568 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.091 -11.054 7.558 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.630 -11.623 8.341 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.938 -9.775 10.090 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.485 -9.406 9.353 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -13.874 -12.269 10.185 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.369 -11.109 11.401 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.951 -11.616 8.829 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -16.288 -12.437 10.340 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -17.566 -10.679 10.813 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -16.135 -9.802 11.066 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -16.912 -9.742 9.558 1.00 0.02 H new ATOM 86 N ILE A 7 -10.866 -8.547 8.936 1.00 0.02 N ATOM 87 CA ILE A 7 -9.549 -8.347 9.619 1.00 0.00 C ATOM 88 C ILE A 7 -9.783 -8.180 11.123 1.00 0.02 C ATOM 89 O ILE A 7 -10.730 -7.543 11.546 1.00 0.01 O ATOM 90 CB ILE A 7 -8.838 -7.122 9.030 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.614 -6.775 9.887 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.795 -5.932 8.998 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.737 -5.760 9.148 1.00 0.02 C ATOM 0 H ILE A 7 -11.580 -7.862 9.183 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.910 -9.216 9.460 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.516 -7.350 8.014 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.933 -6.365 10.845 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -7.041 -7.677 10.102 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.284 -5.065 8.579 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.660 -6.177 8.381 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.125 -5.703 10.011 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.869 -5.516 9.760 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.406 -6.187 8.201 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.312 -4.854 8.956 1.00 0.02 H new ATOM 105 N SER A 8 -8.918 -8.743 11.933 1.00 0.02 N ATOM 106 CA SER A 8 -9.059 -8.622 13.422 1.00 0.02 C ATOM 107 C SER A 8 -7.797 -7.981 14.006 1.00 0.01 C ATOM 108 O SER A 8 -6.689 -8.398 13.735 1.00 0.02 O ATOM 109 CB SER A 8 -9.267 -10.005 14.043 1.00 0.30 C ATOM 110 OG SER A 8 -10.151 -10.758 13.221 1.00 0.39 O ATOM 0 H SER A 8 -8.112 -9.287 11.624 1.00 0.02 H new ATOM 0 HA SER A 8 -9.923 -7.997 13.648 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.312 -10.521 14.139 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.679 -9.908 15.047 1.00 0.30 H new ATOM 0 HG SER A 8 -10.286 -11.646 13.614 1.00 0.39 H new ATOM 116 N PHE A 9 -7.971 -6.970 14.826 1.00 0.02 N ATOM 117 CA PHE A 9 -6.805 -6.284 15.467 1.00 0.01 C ATOM 118 C PHE A 9 -6.793 -6.626 16.962 1.00 0.01 C ATOM 119 O PHE A 9 -7.828 -6.663 17.594 1.00 0.02 O ATOM 120 CB PHE A 9 -6.955 -4.764 15.313 1.00 0.02 C ATOM 121 CG PHE A 9 -7.271 -4.399 13.879 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.560 -4.600 13.376 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.280 -3.842 13.060 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.861 -4.245 12.057 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.579 -3.491 11.739 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.871 -3.691 11.237 1.00 0.02 C ATOM 0 H PHE A 9 -8.882 -6.588 15.080 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.881 -6.613 14.992 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.748 -4.404 15.968 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -6.035 -4.270 15.625 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.324 -5.030 14.007 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.285 -3.684 13.449 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.858 -4.398 11.671 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.814 -3.066 11.107 1.00 0.02 H new ATOM 0 HZ PHE A 9 -8.103 -3.418 10.218 1.00 0.02 H new ATOM 136 N TYR A 10 -5.636 -6.881 17.534 1.00 0.02 N ATOM 137 CA TYR A 10 -5.563 -7.229 18.998 1.00 0.01 C ATOM 138 C TYR A 10 -4.646 -6.237 19.717 1.00 0.02 C ATOM 139 O TYR A 10 -3.618 -5.839 19.205 1.00 0.01 O ATOM 140 CB TYR A 10 -4.981 -8.634 19.166 1.00 0.02 C ATOM 141 CG TYR A 10 -5.821 -9.640 18.415 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.671 -9.781 17.030 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.737 -10.443 19.107 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.437 -10.725 16.337 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.503 -11.385 18.412 1.00 0.02 C ATOM 146 CZ TYR A 10 -7.353 -11.527 17.027 1.00 0.00 C ATOM 147 OH TYR A 10 -8.109 -12.458 16.341 1.00 0.02 O ATOM 0 H TYR A 10 -4.737 -6.864 17.052 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.567 -7.187 19.421 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.956 -8.657 18.797 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.945 -8.897 20.223 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.965 -9.162 16.497 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.852 -10.335 20.175 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.321 -10.835 15.269 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -8.211 -12.003 18.944 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.694 -12.931 16.969 1.00 0.02 H new ATOM 157 N GLU A 11 -5.026 -5.809 20.891 1.00 0.00 N ATOM 158 CA GLU A 11 -4.195 -4.813 21.624 1.00 0.02 C ATOM 159 C GLU A 11 -2.863 -5.411 22.084 1.00 0.03 C ATOM 160 O GLU A 11 -1.895 -4.691 22.243 1.00 0.03 O ATOM 161 CB GLU A 11 -4.965 -4.319 22.852 1.00 0.00 C ATOM 162 CG GLU A 11 -6.095 -3.398 22.405 1.00 0.00 C ATOM 163 CD GLU A 11 -6.923 -2.975 23.617 1.00 0.02 C ATOM 164 OE1 GLU A 11 -7.036 -3.768 24.538 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.430 -1.867 23.604 1.00 0.02 O ATOM 0 H GLU A 11 -5.875 -6.106 21.373 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.982 -3.990 20.942 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.369 -5.166 23.406 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.293 -3.788 23.527 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.686 -2.519 21.907 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.728 -3.909 21.680 1.00 0.00 H new ATOM 172 N ASP A 12 -2.786 -6.703 22.310 1.00 0.02 N ATOM 173 CA ASP A 12 -1.496 -7.314 22.769 1.00 0.01 C ATOM 174 C ASP A 12 -0.952 -8.261 21.699 1.00 0.02 C ATOM 175 O ASP A 12 -1.613 -8.588 20.733 1.00 0.02 O ATOM 176 CB ASP A 12 -1.727 -8.106 24.057 1.00 0.01 C ATOM 177 CG ASP A 12 -2.461 -7.228 25.073 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.996 -6.210 24.669 1.00 0.02 O ATOM 179 OD2 ASP A 12 -2.474 -7.588 26.240 1.00 0.03 O ATOM 0 H ASP A 12 -3.559 -7.359 22.197 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.777 -6.514 22.949 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.311 -9.002 23.846 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.774 -8.437 24.469 1.00 0.01 H new ATOM 184 N ARG A 13 0.262 -8.691 21.880 1.00 0.02 N ATOM 185 CA ARG A 13 0.911 -9.609 20.903 1.00 0.02 C ATOM 186 C ARG A 13 0.350 -11.025 21.060 1.00 0.00 C ATOM 187 O ARG A 13 -0.180 -11.389 22.090 1.00 0.02 O ATOM 188 CB ARG A 13 2.414 -9.628 21.182 1.00 0.00 C ATOM 189 CG ARG A 13 3.020 -8.280 20.792 1.00 0.01 C ATOM 190 CD ARG A 13 4.489 -8.245 21.210 1.00 0.02 C ATOM 191 NE ARG A 13 5.033 -6.874 20.994 1.00 0.03 N ATOM 192 CZ ARG A 13 6.160 -6.525 21.552 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.813 -7.377 22.294 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.637 -5.323 21.365 1.00 0.02 N ATOM 0 H ARG A 13 0.845 -8.441 22.679 1.00 0.02 H new ATOM 0 HA ARG A 13 0.716 -9.263 19.888 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.597 -9.829 22.238 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.890 -10.430 20.618 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.933 -8.127 19.716 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.474 -7.470 21.275 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.587 -8.526 22.259 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.061 -8.970 20.631 1.00 0.02 H new ATOM 0 HE ARG A 13 4.525 -6.209 20.411 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.443 -8.316 22.438 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.694 -7.104 22.730 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.129 -4.657 20.783 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.518 -5.050 21.801 1.00 0.02 H new ATOM 208 N ASN A 14 0.483 -11.825 20.034 1.00 0.02 N ATOM 209 CA ASN A 14 -0.013 -13.231 20.085 1.00 0.02 C ATOM 210 C ASN A 14 -1.541 -13.267 20.182 1.00 0.02 C ATOM 211 O ASN A 14 -2.120 -14.114 20.830 1.00 0.02 O ATOM 212 CB ASN A 14 0.624 -13.947 21.281 1.00 0.26 C ATOM 213 CG ASN A 14 2.074 -13.481 21.441 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.523 -13.221 22.540 1.00 0.74 O ATOM 215 ND2 ASN A 14 2.828 -13.363 20.383 1.00 0.46 N ATOM 0 H ASN A 14 0.920 -11.559 19.152 1.00 0.02 H new ATOM 0 HA ASN A 14 0.270 -13.744 19.166 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.060 -13.734 22.189 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.592 -15.026 21.132 1.00 0.26 H new ATOM 0 HD21 ASN A 14 3.795 -13.052 20.478 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.451 -13.581 19.461 1.00 0.46 H new ATOM 222 N PHE A 15 -2.172 -12.323 19.529 1.00 0.02 N ATOM 223 CA PHE A 15 -3.666 -12.217 19.511 1.00 0.02 C ATOM 224 C PHE A 15 -4.245 -12.283 20.925 1.00 0.00 C ATOM 225 O PHE A 15 -5.238 -12.934 21.174 1.00 0.02 O ATOM 226 CB PHE A 15 -4.292 -13.314 18.623 1.00 0.02 C ATOM 227 CG PHE A 15 -3.698 -14.669 18.925 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.566 -15.104 18.227 1.00 0.02 C ATOM 229 CD2 PHE A 15 -4.277 -15.491 19.899 1.00 0.02 C ATOM 230 CE1 PHE A 15 -2.013 -16.360 18.501 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.723 -16.747 20.174 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.592 -17.180 19.474 1.00 0.02 C ATOM 0 H PHE A 15 -1.698 -11.598 18.990 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.917 -11.246 19.085 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.370 -13.343 18.783 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -4.132 -13.070 17.573 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -2.119 -14.470 17.476 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -5.151 -15.156 20.438 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -1.140 -16.696 17.961 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -4.169 -17.381 20.926 1.00 0.02 H new ATOM 0 HZ PHE A 15 -2.165 -18.149 19.686 1.00 0.02 H new ATOM 242 N GLN A 16 -3.633 -11.581 21.841 1.00 0.02 N ATOM 243 CA GLN A 16 -4.132 -11.546 23.252 1.00 0.02 C ATOM 244 C GLN A 16 -4.653 -10.133 23.536 1.00 0.02 C ATOM 245 O GLN A 16 -4.401 -9.214 22.782 1.00 0.02 O ATOM 246 CB GLN A 16 -2.977 -11.858 24.207 1.00 0.02 C ATOM 247 CG GLN A 16 -2.681 -13.357 24.170 1.00 0.00 C ATOM 248 CD GLN A 16 -1.437 -13.650 25.011 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.334 -13.306 24.629 1.00 0.02 O ATOM 250 NE2 GLN A 16 -1.567 -14.274 26.149 1.00 0.02 N ATOM 0 H GLN A 16 -2.797 -11.022 21.672 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.924 -12.282 23.393 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -2.090 -11.293 23.920 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.235 -11.552 25.221 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.534 -13.917 24.554 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.523 -13.683 23.142 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.491 -14.563 26.470 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -0.744 -14.473 26.718 1.00 0.02 H new ATOM 259 N GLY A 17 -5.379 -9.941 24.607 1.00 0.03 N ATOM 260 CA GLY A 17 -5.902 -8.574 24.913 1.00 0.03 C ATOM 261 C GLY A 17 -7.258 -8.347 24.240 1.00 0.02 C ATOM 262 O GLY A 17 -7.876 -9.262 23.731 1.00 0.02 O ATOM 0 H GLY A 17 -5.631 -10.665 25.279 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -6.001 -8.451 25.991 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.191 -7.823 24.570 1.00 0.03 H new ATOM 266 N ARG A 18 -7.715 -7.125 24.223 1.00 0.00 N ATOM 267 CA ARG A 18 -9.022 -6.815 23.573 1.00 0.02 C ATOM 268 C ARG A 18 -8.878 -6.987 22.058 1.00 0.02 C ATOM 269 O ARG A 18 -7.845 -6.693 21.485 1.00 0.02 O ATOM 270 CB ARG A 18 -9.420 -5.369 23.899 1.00 0.79 C ATOM 271 CG ARG A 18 -10.920 -5.177 23.634 1.00 1.49 C ATOM 272 CD ARG A 18 -11.242 -3.684 23.520 1.00 1.42 C ATOM 273 NE ARG A 18 -10.416 -2.920 24.495 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.305 -1.625 24.383 1.00 2.35 C ATOM 275 NH1 ARG A 18 -10.914 -1.002 23.414 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.584 -0.955 25.240 1.00 2.76 N ATOM 0 H ARG A 18 -7.237 -6.323 24.634 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.793 -7.490 23.943 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.193 -5.144 24.941 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.841 -4.675 23.290 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -11.205 -5.691 22.716 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.501 -5.623 24.442 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.043 -3.335 22.507 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -12.301 -3.514 23.713 1.00 1.42 H new ATOM 0 HE ARG A 18 -9.937 -3.409 25.251 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.477 -1.527 22.744 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -10.828 0.010 23.325 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -9.107 -1.444 25.998 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.497 0.058 25.152 1.00 2.76 H new ATOM 290 N ARG A 19 -9.909 -7.476 21.409 1.00 0.02 N ATOM 291 CA ARG A 19 -9.852 -7.698 19.931 1.00 0.02 C ATOM 292 C ARG A 19 -10.934 -6.869 19.234 1.00 0.02 C ATOM 293 O ARG A 19 -11.996 -6.631 19.770 1.00 0.02 O ATOM 294 CB ARG A 19 -10.094 -9.192 19.644 1.00 0.85 C ATOM 295 CG ARG A 19 -10.276 -9.435 18.120 1.00 1.31 C ATOM 296 CD ARG A 19 -11.769 -9.490 17.743 1.00 1.34 C ATOM 297 NE ARG A 19 -12.257 -10.891 17.869 1.00 1.50 N ATOM 298 CZ ARG A 19 -13.538 -11.139 17.877 1.00 1.63 C ATOM 299 NH1 ARG A 19 -14.392 -10.158 17.769 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.964 -12.366 17.991 1.00 1.89 N ATOM 0 H ARG A 19 -10.794 -7.732 21.846 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.875 -7.395 19.555 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.253 -9.779 20.013 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.980 -9.532 20.180 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -9.785 -8.639 17.560 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -9.791 -10.369 17.837 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -12.345 -8.832 18.394 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.912 -9.133 16.723 1.00 1.34 H new ATOM 0 HE ARG A 19 -11.589 -11.658 17.949 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -14.058 -9.199 17.678 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -15.394 -10.351 17.775 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.296 -13.132 18.074 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -14.965 -12.560 17.997 1.00 1.89 H new ATOM 314 N TYR A 20 -10.663 -6.451 18.025 1.00 0.02 N ATOM 315 CA TYR A 20 -11.656 -5.655 17.239 1.00 0.02 C ATOM 316 C TYR A 20 -11.748 -6.264 15.840 1.00 0.02 C ATOM 317 O TYR A 20 -10.748 -6.457 15.182 1.00 0.02 O ATOM 318 CB TYR A 20 -11.184 -4.197 17.144 1.00 0.02 C ATOM 319 CG TYR A 20 -12.053 -3.439 16.162 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.428 -3.309 16.402 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.488 -2.871 15.013 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.234 -2.613 15.495 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.297 -2.172 14.107 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.669 -2.044 14.348 1.00 0.02 C ATOM 325 OH TYR A 20 -14.468 -1.359 13.454 1.00 0.01 O ATOM 0 H TYR A 20 -9.783 -6.630 17.541 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.632 -5.675 17.723 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.232 -3.725 18.125 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.143 -4.162 16.824 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.865 -3.746 17.287 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.429 -2.972 14.825 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.293 -2.515 15.680 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.861 -1.732 13.222 1.00 0.02 H new ATOM 0 HH TYR A 20 -15.220 -0.953 13.933 1.00 0.01 H new ATOM 335 N ASP A 21 -12.937 -6.585 15.389 1.00 0.01 N ATOM 336 CA ASP A 21 -13.110 -7.204 14.036 1.00 0.02 C ATOM 337 C ASP A 21 -13.816 -6.218 13.108 1.00 0.00 C ATOM 338 O ASP A 21 -14.775 -5.570 13.480 1.00 0.01 O ATOM 339 CB ASP A 21 -13.964 -8.465 14.178 1.00 0.12 C ATOM 340 CG ASP A 21 -15.170 -8.167 15.068 1.00 0.41 C ATOM 341 OD1 ASP A 21 -15.373 -7.006 15.386 1.00 1.12 O ATOM 342 OD2 ASP A 21 -15.871 -9.103 15.420 1.00 0.56 O ATOM 0 H ASP A 21 -13.805 -6.443 15.906 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.136 -7.456 13.618 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.297 -8.803 13.197 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.371 -9.272 14.609 1.00 0.12 H new ATOM 347 N CYS A 22 -13.330 -6.098 11.894 1.00 0.01 N ATOM 348 CA CYS A 22 -13.946 -5.151 10.911 1.00 0.00 C ATOM 349 C CYS A 22 -14.204 -5.882 9.591 1.00 0.02 C ATOM 350 O CYS A 22 -13.385 -6.651 9.119 1.00 0.01 O ATOM 351 CB CYS A 22 -12.990 -3.977 10.682 1.00 0.00 C ATOM 352 SG CYS A 22 -13.872 -2.632 9.851 1.00 0.02 S ATOM 0 H CYS A 22 -12.528 -6.619 11.541 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.893 -4.776 11.299 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.589 -3.629 11.634 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.142 -4.298 10.077 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.520 -2.590 8.600 1.00 0.02 H new ATOM 358 N ASP A 23 -15.349 -5.644 8.997 1.00 0.01 N ATOM 359 CA ASP A 23 -15.708 -6.310 7.705 1.00 0.02 C ATOM 360 C ASP A 23 -15.858 -5.254 6.610 1.00 0.00 C ATOM 361 O ASP A 23 -16.329 -5.534 5.525 1.00 0.02 O ATOM 362 CB ASP A 23 -17.030 -7.061 7.875 1.00 0.16 C ATOM 363 CG ASP A 23 -17.346 -7.829 6.591 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.734 -8.863 6.380 1.00 0.17 O ATOM 365 OD2 ASP A 23 -18.193 -7.373 5.843 1.00 0.20 O ATOM 0 H ASP A 23 -16.060 -5.008 9.358 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.922 -7.011 7.425 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -16.964 -7.750 8.717 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.833 -6.359 8.099 1.00 0.16 H new ATOM 370 N CYS A 24 -15.446 -4.046 6.874 1.00 0.01 N ATOM 371 CA CYS A 24 -15.546 -2.972 5.847 1.00 0.01 C ATOM 372 C CYS A 24 -14.534 -1.883 6.196 1.00 0.01 C ATOM 373 O CYS A 24 -13.895 -1.938 7.228 1.00 0.01 O ATOM 374 CB CYS A 24 -16.959 -2.387 5.845 1.00 0.62 C ATOM 375 SG CYS A 24 -17.322 -1.684 7.472 1.00 1.23 S ATOM 0 H CYS A 24 -15.041 -3.754 7.764 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.336 -3.377 4.857 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.045 -1.618 5.077 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.685 -3.163 5.602 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.522 -1.184 7.471 1.00 1.23 H new ATOM 381 N ASP A 25 -14.367 -0.895 5.361 1.00 0.02 N ATOM 382 CA ASP A 25 -13.380 0.178 5.674 1.00 0.01 C ATOM 383 C ASP A 25 -13.780 0.896 6.963 1.00 0.02 C ATOM 384 O ASP A 25 -14.948 1.085 7.242 1.00 0.00 O ATOM 385 CB ASP A 25 -13.352 1.192 4.528 1.00 0.01 C ATOM 386 CG ASP A 25 -14.711 1.884 4.422 1.00 0.01 C ATOM 387 OD1 ASP A 25 -15.694 1.278 4.815 1.00 0.01 O ATOM 388 OD2 ASP A 25 -14.747 3.009 3.947 1.00 0.01 O ATOM 0 H ASP A 25 -14.868 -0.784 4.480 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.395 -0.271 5.800 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -12.569 1.930 4.701 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.114 0.690 3.590 1.00 0.01 H new ATOM 393 N CYS A 26 -12.813 1.316 7.739 1.00 0.01 N ATOM 394 CA CYS A 26 -13.108 2.056 9.008 1.00 0.01 C ATOM 395 C CYS A 26 -12.231 3.311 9.058 1.00 0.01 C ATOM 396 O CYS A 26 -11.018 3.233 9.070 1.00 0.01 O ATOM 397 CB CYS A 26 -12.808 1.161 10.214 1.00 0.01 C ATOM 398 SG CYS A 26 -13.587 1.856 11.693 1.00 0.02 S ATOM 0 H CYS A 26 -11.821 1.177 7.547 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.160 2.338 9.037 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.181 0.153 10.034 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.731 1.081 10.361 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.707 0.929 12.597 1.00 0.02 H new ATOM 404 N ALA A 27 -12.835 4.472 9.050 1.00 0.01 N ATOM 405 CA ALA A 27 -12.034 5.729 9.056 1.00 0.01 C ATOM 406 C ALA A 27 -11.479 6.008 10.451 1.00 0.01 C ATOM 407 O ALA A 27 -10.487 6.698 10.604 1.00 0.02 O ATOM 408 CB ALA A 27 -12.917 6.898 8.616 1.00 0.24 C ATOM 0 H ALA A 27 -13.847 4.602 9.040 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.199 5.614 8.365 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.332 7.818 8.620 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.293 6.712 7.610 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.756 6.999 9.304 1.00 0.24 H new ATOM 414 N ASP A 28 -12.112 5.486 11.469 1.00 0.01 N ATOM 415 CA ASP A 28 -11.627 5.714 12.860 1.00 0.02 C ATOM 416 C ASP A 28 -12.127 4.566 13.745 1.00 0.01 C ATOM 417 O ASP A 28 -13.268 4.541 14.162 1.00 0.02 O ATOM 418 CB ASP A 28 -12.172 7.043 13.388 1.00 0.67 C ATOM 419 CG ASP A 28 -11.524 7.355 14.737 1.00 0.90 C ATOM 420 OD1 ASP A 28 -11.820 6.652 15.690 1.00 1.14 O ATOM 421 OD2 ASP A 28 -10.739 8.288 14.795 1.00 0.87 O ATOM 0 H ASP A 28 -12.949 4.908 11.395 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.538 5.750 12.872 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -11.963 7.843 12.678 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.255 6.988 13.496 1.00 0.67 H new ATOM 426 N PHE A 29 -11.272 3.615 14.029 1.00 0.02 N ATOM 427 CA PHE A 29 -11.665 2.449 14.887 1.00 0.02 C ATOM 428 C PHE A 29 -11.071 2.611 16.289 1.00 0.00 C ATOM 429 O PHE A 29 -11.079 1.708 17.104 1.00 0.02 O ATOM 430 CB PHE A 29 -11.182 1.143 14.243 1.00 2.87 C ATOM 431 CG PHE A 29 -9.680 1.044 14.323 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.891 1.566 13.294 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.078 0.413 15.418 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.498 1.455 13.358 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.685 0.306 15.484 1.00 5.75 C ATOM 436 CZ PHE A 29 -6.895 0.826 14.455 1.00 6.37 C ATOM 0 H PHE A 29 -10.307 3.595 13.700 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.751 2.413 14.973 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.637 0.291 14.748 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.501 1.104 13.201 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.356 2.054 12.451 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.689 0.009 16.212 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -6.887 1.854 12.562 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.220 -0.178 16.330 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.819 0.743 14.506 1.00 6.37 H new ATOM 446 N ARG A 30 -10.526 3.765 16.554 1.00 0.01 N ATOM 447 CA ARG A 30 -9.899 4.024 17.879 1.00 0.00 C ATOM 448 C ARG A 30 -10.919 3.851 19.008 1.00 0.01 C ATOM 449 O ARG A 30 -10.552 3.630 20.144 1.00 0.02 O ATOM 450 CB ARG A 30 -9.353 5.455 17.915 1.00 0.32 C ATOM 451 CG ARG A 30 -8.075 5.543 17.073 1.00 0.86 C ATOM 452 CD ARG A 30 -7.445 6.929 17.236 1.00 1.62 C ATOM 453 NE ARG A 30 -6.040 6.896 16.742 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.399 8.010 16.520 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.985 9.157 16.736 1.00 3.11 N ATOM 456 NH2 ARG A 30 -4.172 7.979 16.077 1.00 3.02 N ATOM 0 H ARG A 30 -10.488 4.548 15.902 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.090 3.308 18.022 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.101 6.149 17.532 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.143 5.748 18.944 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.369 4.773 17.384 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -8.306 5.359 16.024 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -8.020 7.669 16.680 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.467 7.229 18.284 1.00 1.62 H new ATOM 0 HE ARG A 30 -5.579 6.001 16.577 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.945 9.183 17.079 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.482 10.027 16.562 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -3.715 7.084 15.904 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -3.670 8.850 15.903 1.00 3.02 H new ATOM 470 N SER A 31 -12.192 3.968 18.730 1.00 0.02 N ATOM 471 CA SER A 31 -13.205 3.831 19.817 1.00 0.02 C ATOM 472 C SER A 31 -13.381 2.360 20.193 1.00 0.01 C ATOM 473 O SER A 31 -13.924 2.037 21.232 1.00 0.02 O ATOM 474 CB SER A 31 -14.543 4.390 19.333 1.00 0.37 C ATOM 475 OG SER A 31 -14.394 5.772 19.032 1.00 0.88 O ATOM 0 H SER A 31 -12.572 4.152 17.801 1.00 0.02 H new ATOM 0 HA SER A 31 -12.864 4.384 20.692 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.878 3.848 18.449 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.306 4.253 20.099 1.00 0.37 H new ATOM 0 HG SER A 31 -15.250 6.133 18.720 1.00 0.88 H new ATOM 481 N TYR A 32 -12.937 1.466 19.349 1.00 0.01 N ATOM 482 CA TYR A 32 -13.088 0.006 19.635 1.00 0.01 C ATOM 483 C TYR A 32 -11.747 -0.560 20.090 1.00 0.02 C ATOM 484 O TYR A 32 -11.680 -1.586 20.736 1.00 0.02 O ATOM 485 CB TYR A 32 -13.533 -0.705 18.354 1.00 0.02 C ATOM 486 CG TYR A 32 -14.876 -0.167 17.922 1.00 0.02 C ATOM 487 CD1 TYR A 32 -16.051 -0.717 18.446 1.00 0.01 C ATOM 488 CD2 TYR A 32 -14.947 0.882 16.997 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.296 -0.217 18.047 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.191 1.382 16.597 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.367 0.833 17.122 1.00 0.02 C ATOM 492 OH TYR A 32 -18.596 1.326 16.730 1.00 0.02 O ATOM 0 H TYR A 32 -12.473 1.685 18.467 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.830 -0.145 20.419 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.797 -0.551 17.565 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.597 -1.780 18.525 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.997 -1.527 19.158 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.040 1.306 16.592 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.203 -0.641 18.453 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.244 2.191 15.884 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.466 2.053 16.085 1.00 0.02 H new ATOM 502 N LEU A 33 -10.675 0.097 19.749 1.00 0.02 N ATOM 503 CA LEU A 33 -9.326 -0.403 20.150 1.00 0.02 C ATOM 504 C LEU A 33 -8.379 0.797 20.306 1.00 0.02 C ATOM 505 O LEU A 33 -8.279 1.648 19.447 1.00 0.02 O ATOM 506 CB LEU A 33 -8.816 -1.352 19.040 1.00 1.66 C ATOM 507 CG LEU A 33 -8.062 -2.556 19.647 1.00 2.38 C ATOM 508 CD1 LEU A 33 -9.007 -3.401 20.539 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.499 -3.435 18.511 1.00 2.80 C ATOM 0 H LEU A 33 -10.672 0.962 19.208 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.372 -0.941 21.097 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.657 -1.707 18.445 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.156 -0.807 18.365 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.245 -2.182 20.264 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.456 -4.244 20.957 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.392 -2.782 21.349 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.838 -3.772 19.939 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.967 -4.285 18.938 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.319 -3.795 17.890 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.813 -2.847 17.901 1.00 2.80 H new ATOM 521 N SER A 34 -7.707 0.866 21.426 1.00 0.02 N ATOM 522 CA SER A 34 -6.782 2.010 21.695 1.00 0.02 C ATOM 523 C SER A 34 -5.386 1.744 21.120 1.00 0.00 C ATOM 524 O SER A 34 -4.553 2.627 21.067 1.00 0.01 O ATOM 525 CB SER A 34 -6.674 2.210 23.205 1.00 0.02 C ATOM 526 OG SER A 34 -6.198 1.011 23.806 1.00 0.02 O ATOM 0 H SER A 34 -7.759 0.173 22.173 1.00 0.02 H new ATOM 0 HA SER A 34 -7.183 2.903 21.215 1.00 0.02 H new ATOM 0 HB2 SER A 34 -5.997 3.035 23.427 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.647 2.476 23.619 1.00 0.02 H new ATOM 0 HG SER A 34 -6.126 1.137 24.775 1.00 0.02 H new ATOM 532 N ARG A 35 -5.115 0.542 20.693 1.00 0.02 N ATOM 533 CA ARG A 35 -3.772 0.225 20.127 1.00 0.01 C ATOM 534 C ARG A 35 -3.834 -1.177 19.518 1.00 0.02 C ATOM 535 O ARG A 35 -4.717 -1.951 19.830 1.00 0.02 O ATOM 536 CB ARG A 35 -2.728 0.254 21.243 1.00 0.02 C ATOM 537 CG ARG A 35 -1.346 -0.055 20.665 1.00 0.02 C ATOM 538 CD ARG A 35 -0.270 0.279 21.702 1.00 0.02 C ATOM 539 NE ARG A 35 1.009 -0.379 21.320 1.00 0.02 N ATOM 540 CZ ARG A 35 2.129 0.004 21.871 1.00 0.02 C ATOM 541 NH1 ARG A 35 2.123 0.959 22.762 1.00 0.00 N ATOM 542 NH2 ARG A 35 3.253 -0.568 21.533 1.00 0.02 N ATOM 0 H ARG A 35 -5.770 -0.240 20.712 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.497 0.956 19.367 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.722 1.233 21.723 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.983 -0.476 22.011 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.284 -1.107 20.387 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.183 0.525 19.757 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -0.132 1.358 21.763 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.584 -0.059 22.690 1.00 0.02 H new ATOM 0 HE ARG A 35 1.011 -1.129 20.628 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.244 1.404 23.026 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.997 1.259 23.193 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.257 -1.315 20.838 1.00 0.02 H new ATOM 0 HH22 ARG A 35 4.128 -0.268 21.964 1.00 0.02 H new ATOM 556 N CYS A 36 -2.907 -1.523 18.656 1.00 0.02 N ATOM 557 CA CYS A 36 -2.916 -2.883 18.034 1.00 0.02 C ATOM 558 C CYS A 36 -1.475 -3.387 17.892 1.00 0.02 C ATOM 559 O CYS A 36 -0.696 -2.801 17.168 1.00 0.02 O ATOM 560 CB CYS A 36 -3.561 -2.801 16.646 1.00 0.02 C ATOM 561 SG CYS A 36 -4.976 -1.675 16.708 1.00 0.02 S ATOM 0 H CYS A 36 -2.142 -0.918 18.356 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.484 -3.568 18.663 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -2.833 -2.449 15.915 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.884 -3.791 16.323 1.00 0.02 H new ATOM 0 HG CYS A 36 -5.424 -1.475 15.504 1.00 0.02 H new ATOM 567 N ASN A 37 -1.096 -4.445 18.576 1.00 0.02 N ATOM 568 CA ASN A 37 0.319 -4.940 18.466 1.00 0.01 C ATOM 569 C ASN A 37 0.366 -6.228 17.643 1.00 0.02 C ATOM 570 O ASN A 37 1.417 -6.784 17.390 1.00 0.02 O ATOM 571 CB ASN A 37 0.886 -5.226 19.858 1.00 0.02 C ATOM 572 CG ASN A 37 0.610 -4.042 20.783 1.00 0.01 C ATOM 573 OD1 ASN A 37 0.655 -4.176 21.990 1.00 0.03 O ATOM 574 ND2 ASN A 37 0.321 -2.881 20.268 1.00 0.02 N ATOM 0 H ASN A 37 -1.698 -4.983 19.200 1.00 0.02 H new ATOM 0 HA ASN A 37 0.914 -4.169 17.976 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.435 -6.131 20.266 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.959 -5.406 19.794 1.00 0.02 H new ATOM 0 HD21 ASN A 37 0.133 -2.085 20.878 1.00 0.02 H new ATOM 0 HD22 ASN A 37 0.283 -2.768 19.255 1.00 0.02 H new ATOM 581 N SER A 38 -0.775 -6.681 17.199 1.00 0.02 N ATOM 582 CA SER A 38 -0.845 -7.910 16.360 1.00 0.02 C ATOM 583 C SER A 38 -2.142 -7.851 15.555 1.00 0.01 C ATOM 584 O SER A 38 -3.094 -7.200 15.942 1.00 0.02 O ATOM 585 CB SER A 38 -0.827 -9.165 17.240 1.00 0.01 C ATOM 586 OG SER A 38 -1.676 -8.969 18.361 1.00 0.02 O ATOM 0 H SER A 38 -1.677 -6.243 17.386 1.00 0.02 H new ATOM 0 HA SER A 38 0.017 -7.959 15.694 1.00 0.02 H new ATOM 0 HB2 SER A 38 -1.159 -10.030 16.666 1.00 0.01 H new ATOM 0 HB3 SER A 38 0.190 -9.375 17.572 1.00 0.01 H new ATOM 0 HG SER A 38 -1.131 -8.850 19.167 1.00 0.02 H new ATOM 592 N ILE A 39 -2.188 -8.509 14.427 1.00 0.02 N ATOM 593 CA ILE A 39 -3.423 -8.471 13.582 1.00 0.02 C ATOM 594 C ILE A 39 -3.614 -9.831 12.909 1.00 0.02 C ATOM 595 O ILE A 39 -2.669 -10.505 12.553 1.00 0.02 O ATOM 596 CB ILE A 39 -3.265 -7.395 12.489 1.00 0.00 C ATOM 597 CG1 ILE A 39 -3.354 -5.998 13.116 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.381 -7.545 11.442 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.964 -4.941 12.081 1.00 0.00 C ATOM 0 H ILE A 39 -1.425 -9.072 14.052 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.284 -8.238 14.209 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.294 -7.521 12.010 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.367 -5.814 13.474 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -2.694 -5.935 13.981 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.263 -6.782 10.673 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.321 -8.533 10.985 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.351 -7.427 11.925 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -3.029 -3.950 12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.943 -5.121 11.744 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.642 -4.998 11.230 1.00 0.00 H new ATOM 611 N ARG A 40 -4.850 -10.201 12.686 1.00 0.02 N ATOM 612 CA ARG A 40 -5.160 -11.478 11.976 1.00 0.02 C ATOM 613 C ARG A 40 -6.028 -11.124 10.771 1.00 0.01 C ATOM 614 O ARG A 40 -7.091 -10.557 10.919 1.00 0.02 O ATOM 615 CB ARG A 40 -5.926 -12.452 12.874 1.00 0.01 C ATOM 616 CG ARG A 40 -6.124 -13.780 12.139 1.00 0.02 C ATOM 617 CD ARG A 40 -6.678 -14.825 13.109 1.00 0.02 C ATOM 618 NE ARG A 40 -5.771 -14.943 14.284 1.00 0.02 N ATOM 619 CZ ARG A 40 -6.188 -15.536 15.370 1.00 0.02 C ATOM 620 NH1 ARG A 40 -7.392 -16.032 15.421 1.00 0.02 N ATOM 621 NH2 ARG A 40 -5.399 -15.635 16.406 1.00 0.02 N ATOM 0 H ARG A 40 -5.669 -9.664 12.970 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.230 -11.964 11.681 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.377 -12.616 13.801 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.892 -12.028 13.147 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.810 -13.646 11.303 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -5.176 -14.122 11.723 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -7.678 -14.539 13.435 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.769 -15.789 12.608 1.00 0.02 H new ATOM 0 HE ARG A 40 -4.826 -14.561 14.241 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -8.009 -15.957 14.612 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -7.717 -16.495 16.270 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -4.456 -15.249 16.367 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -5.726 -16.098 17.254 1.00 0.02 H new ATOM 635 N VAL A 41 -5.622 -11.494 9.588 1.00 0.02 N ATOM 636 CA VAL A 41 -6.467 -11.221 8.389 1.00 0.01 C ATOM 637 C VAL A 41 -7.092 -12.548 7.978 1.00 0.02 C ATOM 638 O VAL A 41 -6.402 -13.476 7.607 1.00 0.02 O ATOM 639 CB VAL A 41 -5.611 -10.649 7.264 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.514 -10.245 6.095 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.882 -9.406 7.775 1.00 0.00 C ATOM 0 H VAL A 41 -4.742 -11.974 9.399 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.242 -10.487 8.609 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.891 -11.398 6.935 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.905 -9.836 5.289 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -7.054 -11.120 5.733 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.227 -9.491 6.430 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.267 -8.991 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.612 -8.662 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.247 -9.678 8.618 1.00 0.00 H new ATOM 651 N GLU A 42 -8.392 -12.660 8.076 1.00 0.01 N ATOM 652 CA GLU A 42 -9.056 -13.945 7.727 1.00 0.01 C ATOM 653 C GLU A 42 -9.294 -14.004 6.228 1.00 0.02 C ATOM 654 O GLU A 42 -9.236 -15.059 5.627 1.00 0.01 O ATOM 655 CB GLU A 42 -10.391 -14.057 8.470 1.00 0.99 C ATOM 656 CG GLU A 42 -10.168 -13.892 9.974 1.00 1.86 C ATOM 657 CD GLU A 42 -11.508 -13.643 10.668 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.485 -14.248 10.262 1.00 3.81 O ATOM 659 OE2 GLU A 42 -11.533 -12.852 11.597 1.00 3.67 O ATOM 0 H GLU A 42 -9.019 -11.916 8.383 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.414 -14.775 8.022 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -11.082 -13.294 8.111 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.850 -15.024 8.266 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -9.696 -14.786 10.382 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.490 -13.060 10.162 1.00 1.86 H new ATOM 666 N GLY A 43 -9.567 -12.892 5.602 1.00 0.01 N ATOM 667 CA GLY A 43 -9.808 -12.933 4.133 1.00 0.02 C ATOM 668 C GLY A 43 -9.667 -11.544 3.527 1.00 0.02 C ATOM 669 O GLY A 43 -9.955 -10.552 4.165 1.00 0.02 O ATOM 0 H GLY A 43 -9.633 -11.971 6.036 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.100 -13.615 3.662 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.806 -13.323 3.934 1.00 0.02 H new ATOM 673 N GLY A 44 -9.252 -11.467 2.293 1.00 0.00 N ATOM 674 CA GLY A 44 -9.116 -10.134 1.641 1.00 0.01 C ATOM 675 C GLY A 44 -7.763 -9.508 1.984 1.00 0.01 C ATOM 676 O GLY A 44 -7.027 -10.000 2.814 1.00 0.01 O ATOM 0 H GLY A 44 -9.002 -12.266 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.212 -10.239 0.560 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.921 -9.477 1.970 1.00 0.01 H new ATOM 680 N THR A 45 -7.466 -8.393 1.371 1.00 0.01 N ATOM 681 CA THR A 45 -6.192 -7.662 1.664 1.00 0.00 C ATOM 682 C THR A 45 -6.559 -6.280 2.202 1.00 0.01 C ATOM 683 O THR A 45 -7.482 -5.658 1.721 1.00 0.01 O ATOM 684 CB THR A 45 -5.372 -7.516 0.379 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.976 -8.802 -0.077 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.130 -6.662 0.655 1.00 1.48 C ATOM 0 H THR A 45 -8.059 -7.949 0.669 1.00 0.01 H new ATOM 0 HA THR A 45 -5.597 -8.210 2.395 1.00 0.00 H new ATOM 0 HB THR A 45 -5.978 -7.031 -0.386 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.453 -8.710 -0.900 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.548 -6.560 -0.261 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.437 -5.675 1.002 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.521 -7.143 1.420 1.00 1.48 H new ATOM 694 N TRP A 46 -5.907 -5.819 3.244 1.00 0.02 N ATOM 695 CA TRP A 46 -6.290 -4.501 3.852 1.00 0.01 C ATOM 696 C TRP A 46 -5.106 -3.535 3.925 1.00 0.01 C ATOM 697 O TRP A 46 -3.961 -3.915 4.064 1.00 0.01 O ATOM 698 CB TRP A 46 -6.780 -4.750 5.280 1.00 0.00 C ATOM 699 CG TRP A 46 -8.072 -5.500 5.254 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.231 -6.762 4.794 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.384 -5.060 5.709 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.560 -7.124 4.933 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.311 -6.107 5.493 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.854 -3.865 6.279 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.659 -5.972 5.832 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.209 -3.726 6.622 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.108 -4.778 6.400 1.00 0.01 C ATOM 0 H TRP A 46 -5.129 -6.296 3.699 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.062 -4.055 3.225 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.033 -5.316 5.836 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.912 -3.800 5.799 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.449 -7.385 4.385 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.939 -8.030 4.656 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.169 -3.048 6.454 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.349 -6.784 5.656 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.560 -2.803 7.059 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.148 -4.665 6.668 1.00 0.01 H new ATOM 718 N ALA A 47 -5.418 -2.266 3.898 1.00 0.01 N ATOM 719 CA ALA A 47 -4.386 -1.201 4.042 1.00 0.01 C ATOM 720 C ALA A 47 -4.622 -0.607 5.427 1.00 0.01 C ATOM 721 O ALA A 47 -5.741 -0.293 5.786 1.00 0.01 O ATOM 722 CB ALA A 47 -4.577 -0.133 2.962 1.00 0.24 C ATOM 0 H ALA A 47 -6.369 -1.917 3.779 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.373 -1.589 3.932 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.817 0.640 3.077 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.483 -0.591 1.977 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.567 0.313 3.062 1.00 0.24 H new ATOM 728 N VAL A 48 -3.577 -0.421 6.197 1.00 0.01 N ATOM 729 CA VAL A 48 -3.730 0.187 7.555 1.00 0.02 C ATOM 730 C VAL A 48 -2.982 1.516 7.592 1.00 0.01 C ATOM 731 O VAL A 48 -1.923 1.653 7.008 1.00 0.01 O ATOM 732 CB VAL A 48 -3.182 -0.759 8.625 1.00 0.09 C ATOM 733 CG1 VAL A 48 -3.959 -2.076 8.582 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.701 -1.031 8.356 1.00 0.65 C ATOM 0 H VAL A 48 -2.620 -0.666 5.941 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.787 0.358 7.760 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.293 -0.302 9.608 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.571 -2.752 9.343 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.015 -1.882 8.773 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -3.846 -2.533 7.599 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.311 -1.705 9.118 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.588 -1.490 7.374 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.148 -0.092 8.384 1.00 0.65 H new ATOM 744 N TYR A 49 -3.535 2.502 8.256 1.00 0.01 N ATOM 745 CA TYR A 49 -2.880 3.844 8.319 1.00 0.01 C ATOM 746 C TYR A 49 -2.579 4.192 9.771 1.00 0.01 C ATOM 747 O TYR A 49 -3.323 3.875 10.683 1.00 0.02 O ATOM 748 CB TYR A 49 -3.831 4.890 7.732 1.00 0.01 C ATOM 749 CG TYR A 49 -4.202 4.510 6.312 1.00 0.00 C ATOM 750 CD1 TYR A 49 -5.058 3.426 6.071 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.700 5.251 5.235 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.404 3.084 4.756 1.00 0.01 C ATOM 753 CE2 TYR A 49 -4.047 4.910 3.923 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.897 3.826 3.683 1.00 0.02 C ATOM 755 OH TYR A 49 -5.241 3.491 2.389 1.00 0.01 O ATOM 0 H TYR A 49 -4.419 2.433 8.760 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.950 3.829 7.750 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.729 4.962 8.345 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.358 5.872 7.743 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.451 2.854 6.899 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -3.043 6.088 5.418 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -6.062 2.248 4.571 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -3.658 5.484 3.095 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.804 4.107 1.764 1.00 0.01 H new ATOM 765 N GLU A 50 -1.456 4.831 9.972 1.00 0.01 N ATOM 766 CA GLU A 50 -1.008 5.203 11.341 1.00 0.01 C ATOM 767 C GLU A 50 -1.962 6.212 11.983 1.00 0.01 C ATOM 768 O GLU A 50 -2.168 6.186 13.180 1.00 0.02 O ATOM 769 CB GLU A 50 0.387 5.830 11.243 1.00 0.02 C ATOM 770 CG GLU A 50 1.031 5.864 12.632 1.00 0.01 C ATOM 771 CD GLU A 50 2.461 6.393 12.517 1.00 0.02 C ATOM 772 OE1 GLU A 50 3.004 6.347 11.425 1.00 0.01 O ATOM 773 OE2 GLU A 50 2.989 6.835 13.524 1.00 0.02 O ATOM 0 H GLU A 50 -0.820 5.115 9.227 1.00 0.01 H new ATOM 0 HA GLU A 50 -0.992 4.306 11.960 1.00 0.01 H new ATOM 0 HB2 GLU A 50 1.008 5.255 10.557 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.316 6.840 10.839 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.449 6.500 13.299 1.00 0.01 H new ATOM 0 HG3 GLU A 50 1.035 4.865 13.067 1.00 0.01 H new ATOM 780 N ARG A 51 -2.520 7.125 11.217 1.00 0.02 N ATOM 781 CA ARG A 51 -3.426 8.164 11.814 1.00 0.02 C ATOM 782 C ARG A 51 -4.818 8.077 11.154 1.00 0.01 C ATOM 783 O ARG A 51 -4.930 7.645 10.020 1.00 0.02 O ATOM 784 CB ARG A 51 -2.812 9.535 11.497 1.00 0.02 C ATOM 785 CG ARG A 51 -1.500 9.717 12.274 1.00 0.01 C ATOM 786 CD ARG A 51 -1.771 9.810 13.788 1.00 0.02 C ATOM 787 NE ARG A 51 -1.678 8.453 14.394 1.00 0.02 N ATOM 788 CZ ARG A 51 -1.552 8.324 15.686 1.00 0.02 C ATOM 789 NH1 ARG A 51 -1.510 9.385 16.445 1.00 0.02 N ATOM 790 NH2 ARG A 51 -1.471 7.136 16.219 1.00 0.01 N ATOM 0 H ARG A 51 -2.388 7.195 10.208 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.531 8.013 12.888 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.625 9.620 10.427 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.513 10.326 11.761 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -0.832 8.880 12.070 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -0.993 10.620 11.934 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.050 10.479 14.257 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -2.760 10.232 13.966 1.00 0.02 H new ATOM 0 HE ARG A 51 -1.713 7.625 13.799 1.00 0.02 H new ATOM 0 HH11 ARG A 51 -1.576 10.313 16.028 1.00 0.02 H new ATOM 0 HH12 ARG A 51 -1.412 9.286 17.455 1.00 0.02 H new ATOM 0 HH21 ARG A 51 -1.506 6.307 15.625 1.00 0.01 H new ATOM 0 HH22 ARG A 51 -1.372 7.036 17.229 1.00 0.01 H new ATOM 804 N PRO A 52 -5.872 8.496 11.848 1.00 0.02 N ATOM 805 CA PRO A 52 -7.251 8.449 11.273 1.00 0.02 C ATOM 806 C PRO A 52 -7.339 9.136 9.907 1.00 0.01 C ATOM 807 O PRO A 52 -6.463 9.868 9.496 1.00 0.02 O ATOM 808 CB PRO A 52 -8.095 9.188 12.338 1.00 0.02 C ATOM 809 CG PRO A 52 -7.164 9.636 13.481 1.00 0.01 C ATOM 810 CD PRO A 52 -5.771 9.028 13.242 1.00 0.01 C ATOM 0 HA PRO A 52 -7.590 7.431 11.080 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.592 10.051 11.895 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.877 8.533 12.722 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.102 10.724 13.515 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.560 9.309 14.442 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.983 9.776 13.333 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.546 8.239 13.960 1.00 0.01 H new ATOM 818 N ASN A 53 -8.438 8.914 9.234 1.00 0.02 N ATOM 819 CA ASN A 53 -8.670 9.558 7.910 1.00 0.02 C ATOM 820 C ASN A 53 -7.657 9.076 6.875 1.00 0.01 C ATOM 821 O ASN A 53 -7.215 9.817 6.020 1.00 0.01 O ATOM 822 CB ASN A 53 -8.582 11.079 8.069 1.00 0.01 C ATOM 823 CG ASN A 53 -9.230 11.494 9.390 1.00 0.02 C ATOM 824 OD1 ASN A 53 -9.909 10.708 10.021 1.00 0.02 O ATOM 825 ND2 ASN A 53 -9.047 12.705 9.840 1.00 0.01 N ATOM 0 H ASN A 53 -9.193 8.306 9.551 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.662 9.281 7.555 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.540 11.397 8.048 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.083 11.572 7.236 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.474 12.992 10.721 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -8.477 13.365 9.311 1.00 0.01 H new ATOM 832 N PHE A 54 -7.311 7.822 6.941 1.00 0.02 N ATOM 833 CA PHE A 54 -6.354 7.241 5.960 1.00 0.01 C ATOM 834 C PHE A 54 -5.138 8.150 5.770 1.00 0.01 C ATOM 835 O PHE A 54 -4.766 8.487 4.664 1.00 0.02 O ATOM 836 CB PHE A 54 -7.075 7.036 4.625 1.00 1.78 C ATOM 837 CG PHE A 54 -8.493 6.576 4.887 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.718 5.419 5.641 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.580 7.299 4.379 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.025 4.986 5.890 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.888 6.867 4.627 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.110 5.710 5.382 1.00 3.39 C ATOM 0 H PHE A 54 -7.655 7.166 7.642 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.995 6.284 6.339 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -7.081 7.966 4.056 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.546 6.297 4.023 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.881 4.859 6.032 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.408 8.191 3.795 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.197 4.094 6.474 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.725 7.426 4.236 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.119 5.375 5.573 1.00 3.39 H new ATOM 852 N SER A 55 -4.522 8.544 6.858 1.00 0.02 N ATOM 853 CA SER A 55 -3.317 9.437 6.783 1.00 0.02 C ATOM 854 C SER A 55 -2.154 8.830 7.579 1.00 0.01 C ATOM 855 O SER A 55 -2.335 7.928 8.371 1.00 0.01 O ATOM 856 CB SER A 55 -3.675 10.798 7.375 1.00 1.90 C ATOM 857 OG SER A 55 -4.605 11.453 6.520 1.00 2.33 O ATOM 0 H SER A 55 -4.803 8.284 7.804 1.00 0.02 H new ATOM 0 HA SER A 55 -3.013 9.545 5.742 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.103 10.673 8.370 1.00 1.90 H new ATOM 0 HB3 SER A 55 -2.777 11.406 7.488 1.00 1.90 H new ATOM 0 HG SER A 55 -5.397 10.888 6.404 1.00 2.33 H new ATOM 863 N GLY A 56 -0.953 9.315 7.367 1.00 0.02 N ATOM 864 CA GLY A 56 0.231 8.766 8.102 1.00 0.02 C ATOM 865 C GLY A 56 0.844 7.595 7.321 1.00 0.02 C ATOM 866 O GLY A 56 0.613 7.440 6.138 1.00 0.00 O ATOM 0 H GLY A 56 -0.742 10.070 6.714 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.976 9.549 8.242 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.071 8.432 9.095 1.00 0.02 H new ATOM 870 N HIS A 57 1.649 6.790 7.963 1.00 0.02 N ATOM 871 CA HIS A 57 2.306 5.651 7.246 1.00 0.02 C ATOM 872 C HIS A 57 1.254 4.663 6.741 1.00 0.01 C ATOM 873 O HIS A 57 0.263 4.423 7.399 1.00 0.01 O ATOM 874 CB HIS A 57 3.271 4.936 8.198 1.00 0.00 C ATOM 875 CG HIS A 57 4.244 4.106 7.401 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.600 4.379 7.380 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.068 3.013 6.589 1.00 0.01 C ATOM 878 CE1 HIS A 57 6.186 3.470 6.579 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.297 2.612 6.070 1.00 0.01 N ATOM 0 H HIS A 57 1.882 6.870 8.953 1.00 0.02 H new ATOM 0 HA HIS A 57 2.858 6.042 6.391 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.810 5.666 8.802 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.714 4.301 8.887 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.121 2.537 6.384 1.00 0.01 H new ATOM 0 HE1 HIS A 57 7.246 3.438 6.373 1.00 0.02 H new ATOM 0 HE2 HIS A 57 5.479 1.832 5.438 1.00 0.01 H new ATOM 887 N MET A 58 1.473 4.095 5.572 1.00 0.02 N ATOM 888 CA MET A 58 0.496 3.116 4.993 1.00 0.02 C ATOM 889 C MET A 58 1.158 1.738 4.863 1.00 0.01 C ATOM 890 O MET A 58 2.271 1.615 4.395 1.00 0.01 O ATOM 891 CB MET A 58 0.087 3.579 3.590 1.00 2.61 C ATOM 892 CG MET A 58 -0.428 5.021 3.632 1.00 3.46 C ATOM 893 SD MET A 58 -0.464 5.696 1.952 1.00 4.50 S ATOM 894 CE MET A 58 -1.458 4.389 1.192 1.00 5.01 C ATOM 0 H MET A 58 2.294 4.271 4.993 1.00 0.02 H new ATOM 0 HA MET A 58 -0.374 3.055 5.647 1.00 0.02 H new ATOM 0 HB2 MET A 58 0.940 3.510 2.915 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.687 2.921 3.194 1.00 2.61 H new ATOM 0 HG2 MET A 58 -1.426 5.050 4.069 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.215 5.630 4.267 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.999 4.794 0.336 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.805 3.582 0.860 1.00 5.01 H new ATOM 0 HE3 MET A 58 -2.170 4.003 1.921 1.00 5.01 H new ATOM 904 N TYR A 59 0.464 0.700 5.253 1.00 0.02 N ATOM 905 CA TYR A 59 1.018 -0.691 5.140 1.00 0.01 C ATOM 906 C TYR A 59 -0.065 -1.614 4.562 1.00 0.01 C ATOM 907 O TYR A 59 -1.205 -1.605 4.985 1.00 0.02 O ATOM 908 CB TYR A 59 1.431 -1.204 6.528 1.00 0.01 C ATOM 909 CG TYR A 59 2.781 -0.634 6.913 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.921 -0.977 6.175 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.895 0.236 8.008 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.169 -0.453 6.530 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.142 0.758 8.362 1.00 0.01 C ATOM 914 CZ TYR A 59 5.280 0.413 7.623 1.00 0.01 C ATOM 915 OH TYR A 59 6.511 0.929 7.971 1.00 0.01 O ATOM 0 H TYR A 59 -0.474 0.754 5.650 1.00 0.02 H new ATOM 0 HA TYR A 59 1.891 -0.682 4.487 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.683 -0.918 7.267 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.475 -2.293 6.523 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.837 -1.646 5.332 1.00 0.01 H new ATOM 0 HD2 TYR A 59 2.017 0.503 8.578 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.047 -0.717 5.960 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.228 1.427 9.205 1.00 0.01 H new ATOM 0 HH TYR A 59 7.016 0.258 8.475 1.00 0.01 H new ATOM 925 N ILE A 60 0.301 -2.419 3.590 1.00 0.02 N ATOM 926 CA ILE A 60 -0.675 -3.366 2.965 1.00 0.01 C ATOM 927 C ILE A 60 -0.537 -4.732 3.649 1.00 0.01 C ATOM 928 O ILE A 60 0.557 -5.230 3.836 1.00 0.01 O ATOM 929 CB ILE A 60 -0.379 -3.499 1.462 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.886 -2.250 0.728 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.096 -4.734 0.895 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.260 -0.990 1.332 1.00 1.72 C ATOM 0 H ILE A 60 1.243 -2.459 3.201 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.691 -2.992 3.089 1.00 0.01 H new ATOM 0 HB ILE A 60 0.697 -3.604 1.320 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -0.638 -2.316 -0.331 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -1.972 -2.194 0.798 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -0.882 -4.822 -0.170 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.744 -5.628 1.411 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.171 -4.630 1.042 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.628 -0.111 0.802 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.531 -0.918 2.385 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.825 -1.042 1.239 1.00 1.72 H new ATOM 944 N LEU A 61 -1.637 -5.326 4.044 1.00 0.01 N ATOM 945 CA LEU A 61 -1.582 -6.651 4.747 1.00 0.01 C ATOM 946 C LEU A 61 -2.394 -7.713 3.955 1.00 0.01 C ATOM 947 O LEU A 61 -3.608 -7.654 3.942 1.00 0.00 O ATOM 948 CB LEU A 61 -2.207 -6.463 6.155 1.00 0.01 C ATOM 949 CG LEU A 61 -1.115 -6.462 7.245 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.697 -5.903 8.545 1.00 0.01 C ATOM 951 CD2 LEU A 61 -0.611 -7.892 7.492 1.00 0.01 C ATOM 0 H LEU A 61 -2.576 -4.950 3.910 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.550 -6.995 4.823 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.762 -5.525 6.189 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.921 -7.263 6.350 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.283 -5.842 6.912 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.927 -5.901 9.317 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.047 -4.884 8.379 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.532 -6.525 8.867 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.159 -7.878 8.263 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.441 -8.519 7.819 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.193 -8.295 6.569 1.00 0.01 H new ATOM 963 N PRO A 62 -1.762 -8.695 3.322 1.00 0.02 N ATOM 964 CA PRO A 62 -2.535 -9.747 2.594 1.00 0.01 C ATOM 965 C PRO A 62 -3.137 -10.754 3.589 1.00 0.00 C ATOM 966 O PRO A 62 -2.815 -10.740 4.761 1.00 0.02 O ATOM 967 CB PRO A 62 -1.454 -10.395 1.710 1.00 1.47 C ATOM 968 CG PRO A 62 -0.078 -10.006 2.284 1.00 1.29 C ATOM 969 CD PRO A 62 -0.276 -8.833 3.264 1.00 0.82 C ATOM 0 HA PRO A 62 -3.381 -9.367 2.022 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.570 -11.479 1.698 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.548 -10.053 0.679 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.374 -10.856 2.795 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.601 -9.719 1.481 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.148 -9.049 4.244 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.201 -7.921 2.905 1.00 0.82 H new ATOM 977 N GLN A 63 -4.013 -11.619 3.146 1.00 0.02 N ATOM 978 CA GLN A 63 -4.628 -12.605 4.082 1.00 0.00 C ATOM 979 C GLN A 63 -3.544 -13.389 4.831 1.00 0.00 C ATOM 980 O GLN A 63 -2.535 -13.759 4.262 1.00 0.02 O ATOM 981 CB GLN A 63 -5.491 -13.583 3.284 1.00 1.27 C ATOM 982 CG GLN A 63 -6.212 -14.530 4.246 1.00 1.67 C ATOM 983 CD GLN A 63 -7.185 -15.409 3.460 1.00 2.43 C ATOM 984 OE1 GLN A 63 -7.647 -15.029 2.402 1.00 4.25 O ATOM 985 NE2 GLN A 63 -7.520 -16.577 3.938 1.00 3.04 N ATOM 0 H GLN A 63 -4.328 -11.684 2.178 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.237 -12.067 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.217 -13.036 2.682 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.870 -14.153 2.593 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -5.488 -15.151 4.773 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -6.751 -13.958 5.001 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -7.132 -16.895 4.826 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -8.170 -17.171 3.423 1.00 3.04 H new ATOM 994 N GLY A 64 -3.740 -13.661 6.100 1.00 0.02 N ATOM 995 CA GLY A 64 -2.709 -14.437 6.855 1.00 0.01 C ATOM 996 C GLY A 64 -2.779 -14.100 8.346 1.00 0.02 C ATOM 997 O GLY A 64 -3.636 -13.362 8.792 1.00 0.02 O ATOM 0 H GLY A 64 -4.560 -13.382 6.639 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.868 -15.505 6.709 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.716 -14.207 6.469 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.868 -14.632 9.119 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.846 -14.354 10.590 1.00 0.02 C ATOM 1003 C GLU A 65 -0.554 -13.613 10.932 1.00 0.02 C ATOM 1004 O GLU A 65 0.529 -14.039 10.589 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.889 -15.687 11.350 1.00 0.77 C ATOM 1006 CG GLU A 65 -2.315 -15.448 12.803 1.00 0.49 C ATOM 1007 CD GLU A 65 -1.255 -14.608 13.521 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -0.228 -15.160 13.879 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -1.490 -13.425 13.700 1.00 0.96 O ATOM 0 H GLU A 65 -1.129 -15.254 8.792 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.705 -13.745 10.872 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.587 -16.369 10.865 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.908 -16.162 11.323 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -3.277 -14.937 12.830 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.446 -16.401 13.315 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.674 -12.503 11.611 1.00 0.02 N ATOM 1017 CA TYR A 66 0.518 -11.698 12.002 1.00 0.02 C ATOM 1018 C TYR A 66 0.560 -11.621 13.540 1.00 0.02 C ATOM 1019 O TYR A 66 -0.146 -10.826 14.135 1.00 0.02 O ATOM 1020 CB TYR A 66 0.346 -10.302 11.406 1.00 0.01 C ATOM 1021 CG TYR A 66 0.258 -10.442 9.905 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.915 -10.933 9.314 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.355 -10.105 9.101 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.990 -11.084 7.925 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.280 -10.258 7.711 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.108 -10.748 7.124 1.00 0.02 C ATOM 1027 OH TYR A 66 0.034 -10.898 5.753 1.00 0.01 O ATOM 0 H TYR A 66 -1.566 -12.114 11.916 1.00 0.02 H new ATOM 0 HA TYR A 66 1.445 -12.142 11.640 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.554 -9.829 11.798 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.186 -9.664 11.680 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.761 -11.195 9.932 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.260 -9.727 9.554 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.895 -11.460 7.471 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.126 -9.998 7.092 1.00 0.02 H new ATOM 0 HH TYR A 66 -0.902 -10.838 5.467 1.00 0.01 H new ATOM 1037 N PRO A 67 1.347 -12.456 14.199 1.00 0.01 N ATOM 1038 CA PRO A 67 1.386 -12.444 15.688 1.00 0.02 C ATOM 1039 C PRO A 67 2.047 -11.195 16.290 1.00 0.02 C ATOM 1040 O PRO A 67 2.012 -11.011 17.490 1.00 0.02 O ATOM 1041 CB PRO A 67 2.184 -13.723 16.023 1.00 0.02 C ATOM 1042 CG PRO A 67 2.765 -14.295 14.714 1.00 0.02 C ATOM 1043 CD PRO A 67 2.228 -13.461 13.533 1.00 0.01 C ATOM 0 HA PRO A 67 0.383 -12.419 16.114 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.986 -13.496 16.726 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.538 -14.458 16.503 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.854 -14.261 14.737 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.481 -15.341 14.599 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.035 -12.984 12.977 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.673 -14.076 12.825 1.00 0.01 H new ATOM 1051 N GLU A 68 2.628 -10.323 15.507 1.00 0.01 N ATOM 1052 CA GLU A 68 3.251 -9.106 16.104 1.00 0.01 C ATOM 1053 C GLU A 68 3.341 -8.028 15.021 1.00 0.03 C ATOM 1054 O GLU A 68 3.326 -8.300 13.839 1.00 0.02 O ATOM 1055 CB GLU A 68 4.663 -9.431 16.604 1.00 0.69 C ATOM 1056 CG GLU A 68 4.590 -10.333 17.840 1.00 1.09 C ATOM 1057 CD GLU A 68 5.948 -10.345 18.543 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.854 -9.694 18.051 1.00 2.02 O ATOM 1059 OE2 GLU A 68 6.058 -11.004 19.565 1.00 1.55 O ATOM 0 H GLU A 68 2.697 -10.400 14.492 1.00 0.01 H new ATOM 0 HA GLU A 68 2.647 -8.759 16.943 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.231 -9.926 15.816 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.192 -8.510 16.848 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.819 -9.973 18.521 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.310 -11.345 17.549 1.00 1.09 H new ATOM 1066 N TYR A 69 3.383 -6.794 15.434 1.00 0.02 N ATOM 1067 CA TYR A 69 3.402 -5.672 14.453 1.00 0.02 C ATOM 1068 C TYR A 69 4.615 -5.725 13.519 1.00 0.01 C ATOM 1069 O TYR A 69 4.523 -5.391 12.351 1.00 0.01 O ATOM 1070 CB TYR A 69 3.364 -4.342 15.204 1.00 0.02 C ATOM 1071 CG TYR A 69 4.634 -4.182 16.004 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.764 -4.820 17.244 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.680 -3.396 15.509 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.939 -4.670 17.990 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.857 -3.247 16.254 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.986 -3.884 17.495 1.00 0.02 C ATOM 1077 OH TYR A 69 8.145 -3.734 18.229 1.00 0.01 O ATOM 0 H TYR A 69 3.405 -6.511 16.414 1.00 0.02 H new ATOM 0 HA TYR A 69 2.519 -5.769 13.821 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.258 -3.517 14.500 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.498 -4.310 15.865 1.00 0.02 H new ATOM 0 HD1 TYR A 69 3.957 -5.428 17.625 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.580 -2.904 14.553 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.038 -5.161 18.947 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.665 -2.641 15.872 1.00 0.02 H new ATOM 0 HH TYR A 69 8.684 -4.550 18.160 1.00 0.01 H new ATOM 1087 N GLN A 70 5.748 -6.125 14.018 1.00 0.01 N ATOM 1088 CA GLN A 70 6.961 -6.194 13.158 1.00 0.02 C ATOM 1089 C GLN A 70 6.720 -7.152 11.984 1.00 0.01 C ATOM 1090 O GLN A 70 7.382 -7.093 10.966 1.00 0.02 O ATOM 1091 CB GLN A 70 8.137 -6.708 13.991 1.00 0.01 C ATOM 1092 CG GLN A 70 8.282 -5.861 15.258 1.00 0.01 C ATOM 1093 CD GLN A 70 9.378 -6.455 16.144 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.179 -6.655 17.326 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.535 -6.749 15.616 1.00 0.02 N ATOM 0 H GLN A 70 5.888 -6.408 14.988 1.00 0.01 H new ATOM 0 HA GLN A 70 7.182 -5.200 12.770 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.977 -7.753 14.257 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.056 -6.665 13.406 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.529 -4.833 14.995 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.337 -5.833 15.800 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.700 -6.581 14.624 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.274 -7.147 16.196 1.00 0.02 H new ATOM 1104 N ARG A 71 5.769 -8.039 12.130 1.00 0.01 N ATOM 1105 CA ARG A 71 5.477 -9.012 11.040 1.00 0.02 C ATOM 1106 C ARG A 71 4.898 -8.287 9.819 1.00 0.01 C ATOM 1107 O ARG A 71 4.958 -8.794 8.717 1.00 0.02 O ATOM 1108 CB ARG A 71 4.475 -10.055 11.539 1.00 0.34 C ATOM 1109 CG ARG A 71 4.487 -11.284 10.613 1.00 0.72 C ATOM 1110 CD ARG A 71 5.668 -12.223 10.968 1.00 1.04 C ATOM 1111 NE ARG A 71 6.350 -12.682 9.715 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.667 -13.131 8.694 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.377 -13.296 8.780 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.288 -13.446 7.589 1.00 3.42 N ATOM 0 H ARG A 71 5.182 -8.130 12.959 1.00 0.01 H new ATOM 0 HA ARG A 71 6.405 -9.505 10.750 1.00 0.02 H new ATOM 0 HB2 ARG A 71 4.726 -10.354 12.557 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.475 -9.624 11.571 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.545 -11.825 10.705 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.570 -10.963 9.575 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.379 -11.701 11.609 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.304 -13.083 11.530 1.00 1.04 H new ATOM 0 HE ARG A 71 7.368 -12.643 9.657 1.00 1.67 H new ATOM 0 HH11 ARG A 71 3.891 -13.074 9.649 1.00 2.54 H new ATOM 0 HH12 ARG A 71 3.853 -13.647 7.978 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.301 -13.341 7.525 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.760 -13.797 6.790 1.00 3.42 H new ATOM 1128 N TRP A 72 4.372 -7.092 9.995 1.00 0.02 N ATOM 1129 CA TRP A 72 3.827 -6.324 8.823 1.00 0.01 C ATOM 1130 C TRP A 72 4.741 -5.137 8.545 1.00 0.01 C ATOM 1131 O TRP A 72 4.394 -4.217 7.832 1.00 0.02 O ATOM 1132 CB TRP A 72 2.368 -5.875 9.064 1.00 0.02 C ATOM 1133 CG TRP A 72 2.207 -4.929 10.224 1.00 0.01 C ATOM 1134 CD1 TRP A 72 2.724 -3.678 10.314 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.413 -5.121 11.436 1.00 0.02 C ATOM 1136 NE1 TRP A 72 2.310 -3.106 11.504 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.503 -3.953 12.230 1.00 0.02 C ATOM 1138 CE3 TRP A 72 0.639 -6.190 11.921 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.845 -3.845 13.456 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 -0.024 -6.087 13.156 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.076 -4.916 13.923 1.00 0.02 C ATOM 0 H TRP A 72 4.297 -6.618 10.895 1.00 0.02 H new ATOM 0 HA TRP A 72 3.806 -6.973 7.948 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.992 -5.395 8.161 1.00 0.02 H new ATOM 0 HB3 TRP A 72 1.750 -6.756 9.238 1.00 0.02 H new ATOM 0 HD1 TRP A 72 3.356 -3.205 9.577 1.00 0.01 H new ATOM 0 HE1 TRP A 72 2.572 -2.168 11.807 1.00 0.02 H new ATOM 0 HE3 TRP A 72 0.553 -7.097 11.340 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.929 -2.941 14.040 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 -0.615 -6.915 13.518 1.00 0.02 H new ATOM 0 HH2 TRP A 72 -0.439 -4.842 14.870 1.00 0.02 H new ATOM 1152 N MET A 73 5.926 -5.178 9.096 1.00 0.02 N ATOM 1153 CA MET A 73 6.911 -4.081 8.887 1.00 0.02 C ATOM 1154 C MET A 73 6.409 -2.773 9.514 1.00 0.01 C ATOM 1155 O MET A 73 6.792 -1.693 9.110 1.00 0.02 O ATOM 1156 CB MET A 73 7.154 -3.874 7.380 1.00 0.02 C ATOM 1157 CG MET A 73 7.239 -5.235 6.649 1.00 0.01 C ATOM 1158 SD MET A 73 5.680 -5.574 5.788 1.00 0.01 S ATOM 1159 CE MET A 73 6.039 -4.638 4.282 1.00 0.01 C ATOM 0 H MET A 73 6.256 -5.938 9.691 1.00 0.02 H new ATOM 0 HA MET A 73 7.846 -4.362 9.371 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.347 -3.277 6.955 1.00 0.02 H new ATOM 0 HB3 MET A 73 8.078 -3.316 7.229 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.063 -5.223 5.936 1.00 0.01 H new ATOM 0 HG3 MET A 73 7.449 -6.029 7.365 1.00 0.01 H new ATOM 0 HE1 MET A 73 5.194 -4.712 3.597 1.00 0.01 H new ATOM 0 HE2 MET A 73 6.210 -3.592 4.536 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.930 -5.045 3.804 1.00 0.01 H new ATOM 1169 N GLY A 74 5.555 -2.865 10.506 1.00 0.02 N ATOM 1170 CA GLY A 74 5.037 -1.631 11.159 1.00 0.02 C ATOM 1171 C GLY A 74 6.192 -0.861 11.796 1.00 0.01 C ATOM 1172 O GLY A 74 7.120 -1.439 12.324 1.00 0.01 O ATOM 0 H GLY A 74 5.198 -3.741 10.888 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.531 -1.004 10.424 1.00 0.02 H new ATOM 0 HA3 GLY A 74 4.299 -1.892 11.918 1.00 0.02 H new ATOM 1176 N LEU A 75 6.120 0.441 11.790 1.00 0.02 N ATOM 1177 CA LEU A 75 7.194 1.246 12.439 1.00 0.02 C ATOM 1178 C LEU A 75 6.916 1.260 13.955 1.00 0.01 C ATOM 1179 O LEU A 75 7.819 1.306 14.766 1.00 0.02 O ATOM 1180 CB LEU A 75 7.186 2.675 11.858 1.00 0.55 C ATOM 1181 CG LEU A 75 8.607 3.255 11.834 1.00 0.58 C ATOM 1182 CD1 LEU A 75 8.558 4.694 11.311 1.00 0.98 C ATOM 1183 CD2 LEU A 75 9.197 3.244 13.248 1.00 0.42 C ATOM 0 H LEU A 75 5.367 0.982 11.365 1.00 0.02 H new ATOM 0 HA LEU A 75 8.178 0.816 12.253 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.776 2.661 10.848 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.537 3.314 12.457 1.00 0.55 H new ATOM 0 HG LEU A 75 9.234 2.648 11.180 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.566 5.109 11.293 1.00 0.98 H new ATOM 0 HD12 LEU A 75 8.144 4.701 10.303 1.00 0.98 H new ATOM 0 HD13 LEU A 75 7.929 5.298 11.965 1.00 0.98 H new ATOM 0 HD21 LEU A 75 10.206 3.657 13.225 1.00 0.42 H new ATOM 0 HD22 LEU A 75 8.573 3.848 13.907 1.00 0.42 H new ATOM 0 HD23 LEU A 75 9.233 2.220 13.619 1.00 0.42 H new ATOM 1195 N ASN A 76 5.664 1.183 14.330 1.00 0.01 N ATOM 1196 CA ASN A 76 5.276 1.149 15.766 1.00 0.02 C ATOM 1197 C ASN A 76 3.908 0.466 15.836 1.00 0.02 C ATOM 1198 O ASN A 76 3.437 -0.070 14.852 1.00 0.02 O ATOM 1199 CB ASN A 76 5.187 2.574 16.316 1.00 0.02 C ATOM 1200 CG ASN A 76 4.293 3.415 15.404 1.00 0.02 C ATOM 1201 OD1 ASN A 76 3.195 3.013 15.071 1.00 0.01 O ATOM 1202 ND2 ASN A 76 4.720 4.573 14.982 1.00 0.02 N ATOM 0 H ASN A 76 4.878 1.141 13.681 1.00 0.01 H new ATOM 0 HA ASN A 76 6.011 0.608 16.362 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.783 2.560 17.328 1.00 0.02 H new ATOM 0 HB3 ASN A 76 6.182 3.015 16.376 1.00 0.02 H new ATOM 0 HD21 ASN A 76 4.133 5.142 14.372 1.00 0.02 H new ATOM 0 HD22 ASN A 76 5.641 4.910 15.262 1.00 0.02 H new ATOM 1209 N ASP A 77 3.264 0.460 16.977 1.00 0.01 N ATOM 1210 CA ASP A 77 1.930 -0.213 17.080 1.00 0.01 C ATOM 1211 C ASP A 77 0.805 0.816 16.951 1.00 0.01 C ATOM 1212 O ASP A 77 -0.271 0.634 17.486 1.00 0.01 O ATOM 1213 CB ASP A 77 1.815 -0.900 18.444 1.00 0.01 C ATOM 1214 CG ASP A 77 2.683 -2.160 18.460 1.00 0.01 C ATOM 1215 OD1 ASP A 77 3.064 -2.610 17.392 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.956 -2.654 19.542 1.00 0.02 O ATOM 0 H ASP A 77 3.601 0.890 17.838 1.00 0.01 H new ATOM 0 HA ASP A 77 1.843 -0.946 16.278 1.00 0.01 H new ATOM 0 HB2 ASP A 77 2.132 -0.218 19.233 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.776 -1.160 18.645 1.00 0.01 H new ATOM 1221 N ARG A 78 1.040 1.905 16.265 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.029 2.946 16.134 1.00 0.01 C ATOM 1223 C ARG A 78 -0.807 2.757 14.831 1.00 0.02 C ATOM 1224 O ARG A 78 -0.252 2.791 13.751 1.00 0.02 O ATOM 1225 CB ARG A 78 0.605 4.340 16.166 1.00 0.43 C ATOM 1226 CG ARG A 78 1.365 4.532 17.484 1.00 0.80 C ATOM 1227 CD ARG A 78 1.569 6.025 17.750 1.00 1.00 C ATOM 1228 NE ARG A 78 0.262 6.646 18.105 1.00 1.30 N ATOM 1229 CZ ARG A 78 0.231 7.830 18.655 1.00 2.30 C ATOM 1230 NH1 ARG A 78 1.343 8.470 18.884 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -0.911 8.373 18.976 1.00 3.20 N ATOM 0 H ARG A 78 1.918 2.120 15.792 1.00 0.01 H new ATOM 0 HA ARG A 78 -0.723 2.843 16.968 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.285 4.460 15.322 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.167 5.103 16.065 1.00 0.43 H new ATOM 0 HG2 ARG A 78 0.809 4.079 18.305 1.00 0.80 H new ATOM 0 HG3 ARG A 78 2.329 4.026 17.436 1.00 0.80 H new ATOM 0 HD2 ARG A 78 2.284 6.167 18.560 1.00 1.00 H new ATOM 0 HD3 ARG A 78 1.987 6.509 16.867 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.608 6.147 17.919 1.00 1.30 H new ATOM 0 HH11 ARG A 78 2.236 8.046 18.634 1.00 2.72 H new ATOM 0 HH12 ARG A 78 1.320 9.395 19.314 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -1.782 7.873 18.797 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -0.933 9.298 19.406 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.101 2.584 14.930 1.00 0.01 N ATOM 1246 CA LEU A 79 -2.958 2.417 13.718 1.00 0.01 C ATOM 1247 C LEU A 79 -4.278 3.144 13.983 1.00 0.01 C ATOM 1248 O LEU A 79 -4.964 2.864 14.946 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.222 0.929 13.470 1.00 1.04 C ATOM 1250 CG LEU A 79 -1.946 0.245 12.952 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.219 -1.251 12.789 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.516 0.848 11.597 1.00 2.61 C ATOM 0 H LEU A 79 -2.607 2.551 15.815 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.464 2.829 12.838 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.551 0.451 14.393 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.027 0.810 12.745 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.139 0.403 13.668 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.320 -1.747 12.422 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.500 -1.677 13.752 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.031 -1.397 12.077 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.611 0.350 11.248 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.313 0.707 10.867 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.320 1.913 11.719 1.00 2.61 H new ATOM 1264 N GLY A 80 -4.612 4.114 13.166 1.00 0.02 N ATOM 1265 CA GLY A 80 -5.862 4.910 13.395 1.00 0.02 C ATOM 1266 C GLY A 80 -6.948 4.610 12.353 1.00 0.02 C ATOM 1267 O GLY A 80 -8.100 4.926 12.564 1.00 0.01 O ATOM 0 H GLY A 80 -4.071 4.391 12.347 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.249 4.694 14.391 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -5.622 5.973 13.369 1.00 0.02 H new ATOM 1271 N SER A 81 -6.620 4.016 11.234 1.00 0.01 N ATOM 1272 CA SER A 81 -7.696 3.738 10.225 1.00 0.01 C ATOM 1273 C SER A 81 -7.294 2.584 9.315 1.00 0.02 C ATOM 1274 O SER A 81 -6.129 2.285 9.135 1.00 0.01 O ATOM 1275 CB SER A 81 -7.938 4.984 9.378 1.00 0.01 C ATOM 1276 OG SER A 81 -8.687 4.626 8.225 1.00 0.01 O ATOM 0 H SER A 81 -5.680 3.717 10.976 1.00 0.01 H new ATOM 0 HA SER A 81 -8.608 3.467 10.757 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.476 5.734 9.958 1.00 0.01 H new ATOM 0 HB3 SER A 81 -6.987 5.430 9.085 1.00 0.01 H new ATOM 0 HG SER A 81 -8.696 5.377 7.595 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.269 1.930 8.731 1.00 0.02 N ATOM 1283 CA CYS A 82 -7.965 0.788 7.817 1.00 0.01 C ATOM 1284 C CYS A 82 -8.974 0.746 6.669 1.00 0.01 C ATOM 1285 O CYS A 82 -10.128 1.092 6.821 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.025 -0.526 8.600 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.547 -0.572 9.577 1.00 0.02 S ATOM 0 H CYS A 82 -9.261 2.138 8.849 1.00 0.02 H new ATOM 0 HA CYS A 82 -6.965 0.923 7.404 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.994 -1.373 7.914 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.157 -0.613 9.254 1.00 0.01 H new ATOM 0 HG CYS A 82 -9.602 -1.688 10.242 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.539 0.305 5.517 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.451 0.210 4.337 1.00 0.01 C ATOM 1295 C ARG A 83 -9.218 -1.128 3.649 1.00 0.01 C ATOM 1296 O ARG A 83 -8.101 -1.589 3.524 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.124 1.320 3.335 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.438 2.687 3.947 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.796 3.789 3.094 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.811 3.385 1.659 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.591 4.272 0.730 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.349 5.513 1.056 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.611 3.920 -0.526 1.00 0.01 N ATOM 0 H ARG A 83 -7.581 0.003 5.341 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.484 0.305 4.672 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.072 1.271 3.056 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.703 1.179 2.422 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.517 2.835 3.999 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.060 2.736 4.968 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.338 4.726 3.224 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -7.772 3.966 3.422 1.00 0.01 H new ATOM 0 HE ARG A 83 -8.993 2.414 1.404 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.332 5.788 2.038 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.177 6.207 0.329 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.799 2.950 -0.781 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -8.439 4.614 -1.253 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.265 -1.760 3.194 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.096 -3.066 2.512 1.00 0.01 C ATOM 1319 C ALA A 84 -9.585 -2.812 1.098 1.00 0.01 C ATOM 1320 O ALA A 84 -10.116 -2.002 0.364 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.444 -3.787 2.434 1.00 0.43 C ATOM 0 H ALA A 84 -11.226 -1.426 3.267 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.390 -3.683 3.067 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.315 -4.746 1.932 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -11.827 -3.953 3.441 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.151 -3.176 1.873 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.561 -3.513 0.712 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.004 -3.346 -0.653 1.00 0.01 C ATOM 1329 C VAL A 85 -8.751 -4.288 -1.598 1.00 0.01 C ATOM 1330 O VAL A 85 -8.782 -5.484 -1.388 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.515 -3.696 -0.635 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -5.913 -3.443 -2.013 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -5.798 -2.823 0.398 1.00 1.12 C ATOM 0 H VAL A 85 -8.081 -4.202 1.291 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.122 -2.316 -0.990 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.395 -4.747 -0.373 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -4.852 -3.693 -1.998 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.421 -4.063 -2.752 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.034 -2.392 -2.276 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -4.737 -3.072 0.411 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -5.921 -1.772 0.135 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.225 -3.002 1.385 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.353 -3.776 -2.637 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.089 -4.661 -3.583 1.00 0.01 C ATOM 1345 C HIS A 86 -9.128 -5.096 -4.687 1.00 0.01 C ATOM 1346 O HIS A 86 -8.377 -4.307 -5.225 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.260 -3.885 -4.198 1.00 0.21 C ATOM 1348 CG HIS A 86 -11.930 -3.065 -3.131 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -11.473 -1.808 -2.772 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.019 -3.311 -2.332 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.278 -1.347 -1.796 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.237 -2.226 -1.490 1.00 1.71 N ATOM 0 H HIS A 86 -9.367 -2.783 -2.871 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.475 -5.535 -3.058 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -10.901 -3.238 -4.998 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -11.975 -4.577 -4.644 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -13.616 -4.211 -2.354 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.163 -0.385 -1.319 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.971 -2.123 -0.789 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.144 -6.360 -5.016 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.234 -6.886 -6.076 1.00 0.01 C ATOM 1362 C LEU A 87 -9.032 -7.011 -7.376 1.00 0.01 C ATOM 1363 O LEU A 87 -10.149 -7.489 -7.385 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.707 -8.279 -5.646 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.756 -8.438 -4.118 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.268 -9.836 -3.739 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.854 -7.398 -3.446 1.00 1.34 C ATOM 0 H LEU A 87 -9.755 -7.058 -4.591 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.388 -6.215 -6.224 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.306 -9.059 -6.116 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.683 -8.408 -5.996 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.783 -8.293 -3.782 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.302 -9.952 -2.656 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.910 -10.584 -4.204 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.244 -9.971 -4.087 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.899 -7.522 -2.364 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.827 -7.534 -3.785 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.194 -6.397 -3.710 1.00 1.34 H new ATOM 1379 N SER A 88 -8.455 -6.611 -8.479 1.00 0.01 N ATOM 1380 CA SER A 88 -9.150 -6.726 -9.796 1.00 0.01 C ATOM 1381 C SER A 88 -8.439 -7.787 -10.633 1.00 0.01 C ATOM 1382 O SER A 88 -7.251 -7.679 -10.862 1.00 0.01 O ATOM 1383 CB SER A 88 -9.088 -5.384 -10.530 1.00 0.81 C ATOM 1384 OG SER A 88 -9.511 -4.350 -9.650 1.00 1.08 O ATOM 0 H SER A 88 -7.521 -6.205 -8.524 1.00 0.01 H new ATOM 0 HA SER A 88 -10.192 -7.004 -9.640 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.072 -5.191 -10.875 1.00 0.81 H new ATOM 0 HB3 SER A 88 -9.726 -5.409 -11.414 1.00 0.81 H new ATOM 0 HG SER A 88 -9.778 -3.565 -10.172 1.00 1.08 H new ATOM 1390 N SER A 89 -9.129 -8.776 -11.141 1.00 0.01 N ATOM 1391 CA SER A 89 -8.449 -9.784 -12.016 1.00 0.01 C ATOM 1392 C SER A 89 -8.852 -9.448 -13.448 1.00 0.01 C ATOM 1393 O SER A 89 -9.218 -8.323 -13.721 1.00 0.01 O ATOM 1394 CB SER A 89 -8.925 -11.193 -11.661 1.00 0.43 C ATOM 1395 OG SER A 89 -8.466 -11.527 -10.357 1.00 1.26 O ATOM 0 H SER A 89 -10.126 -8.931 -10.991 1.00 0.01 H new ATOM 0 HA SER A 89 -7.367 -9.754 -11.887 1.00 0.01 H new ATOM 0 HB2 SER A 89 -10.013 -11.243 -11.700 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.546 -11.912 -12.388 1.00 0.43 H new ATOM 0 HG SER A 89 -8.770 -12.429 -10.124 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.844 -10.386 -14.362 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.287 -10.067 -15.759 1.00 0.00 C ATOM 1403 C GLY A 90 -8.356 -10.672 -16.810 1.00 0.00 C ATOM 1404 O GLY A 90 -8.810 -11.299 -17.746 1.00 0.01 O ATOM 0 H GLY A 90 -8.553 -11.351 -14.206 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.299 -10.442 -15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.325 -8.985 -15.889 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.064 -10.511 -16.678 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.160 -11.111 -17.698 1.00 0.00 C ATOM 1410 C GLY A 91 -4.688 -10.779 -17.425 1.00 0.00 C ATOM 1411 O GLY A 91 -4.053 -11.417 -16.610 1.00 0.01 O ATOM 0 H GLY A 91 -6.605 -10.000 -15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.292 -12.193 -17.708 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.437 -10.747 -18.687 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.132 -9.805 -18.105 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.684 -9.448 -17.891 1.00 2.31 C ATOM 1417 C GLN A 92 -2.556 -7.991 -17.440 1.00 1.91 C ATOM 1418 O GLN A 92 -2.943 -7.069 -18.131 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.923 -9.677 -19.204 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.425 -9.848 -18.923 1.00 2.86 C ATOM 1421 CD GLN A 92 0.123 -8.579 -18.269 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.447 -8.578 -17.098 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.244 -7.491 -18.978 1.00 4.43 N ATOM 0 H GLN A 92 -4.616 -9.238 -18.801 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.259 -10.077 -17.109 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.310 -10.563 -19.708 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.081 -8.834 -19.876 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.263 -10.705 -18.269 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.109 -10.050 -19.852 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -0.028 -7.490 -19.961 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.610 -6.641 -18.549 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.015 -7.794 -16.264 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.859 -6.409 -15.740 1.00 0.01 C ATOM 1434 C ALA A 93 -0.705 -5.722 -16.475 1.00 0.01 C ATOM 1435 O ALA A 93 0.374 -6.263 -16.607 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.550 -6.460 -14.242 1.00 2.99 C ATOM 0 H ALA A 93 -1.676 -8.533 -15.648 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.782 -5.851 -15.899 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.436 -5.446 -13.859 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.368 -6.956 -13.719 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.626 -7.015 -14.080 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.940 -4.532 -16.964 1.00 0.00 N ATOM 1443 CA LYS A 94 0.115 -3.778 -17.715 1.00 0.01 C ATOM 1444 C LYS A 94 0.231 -2.365 -17.125 1.00 0.01 C ATOM 1445 O LYS A 94 -0.758 -1.716 -16.852 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.314 -3.724 -19.195 1.00 2.49 C ATOM 1447 CG LYS A 94 0.334 -2.532 -19.914 1.00 3.43 C ATOM 1448 CD LYS A 94 0.174 -2.691 -21.440 1.00 4.11 C ATOM 1449 CE LYS A 94 0.203 -1.316 -22.123 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.158 -0.707 -22.064 1.00 6.36 N ATOM 0 H LYS A 94 -1.830 -4.042 -16.875 1.00 0.00 H new ATOM 0 HA LYS A 94 1.088 -4.263 -17.635 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.031 -4.651 -19.693 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.399 -3.646 -19.260 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -0.130 -1.602 -19.586 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.391 -2.470 -19.655 1.00 3.43 H new ATOM 0 HD2 LYS A 94 0.975 -3.317 -21.833 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -0.765 -3.196 -21.664 1.00 4.11 H new ATOM 0 HE2 LYS A 94 0.926 -0.667 -21.629 1.00 5.23 H new ATOM 0 HE3 LYS A 94 0.523 -1.419 -23.160 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.142 0.225 -22.526 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.836 -1.325 -22.554 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -1.446 -0.596 -21.071 1.00 6.36 H new ATOM 1464 N ILE A 95 1.442 -1.888 -16.928 1.00 0.00 N ATOM 1465 CA ILE A 95 1.639 -0.515 -16.352 1.00 0.01 C ATOM 1466 C ILE A 95 2.577 0.285 -17.259 1.00 0.01 C ATOM 1467 O ILE A 95 3.536 -0.235 -17.802 1.00 0.01 O ATOM 1468 CB ILE A 95 2.246 -0.643 -14.946 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.738 0.735 -14.450 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.420 -1.629 -14.985 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.709 0.779 -12.915 1.00 1.09 C ATOM 0 H ILE A 95 2.303 -2.392 -17.142 1.00 0.00 H new ATOM 0 HA ILE A 95 0.682 0.003 -16.285 1.00 0.01 H new ATOM 0 HB ILE A 95 1.483 -1.011 -14.260 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.751 0.920 -14.809 1.00 0.30 H new ATOM 0 HG13 ILE A 95 2.106 1.525 -14.857 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.851 -1.721 -13.988 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.065 -2.604 -15.318 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.179 -1.264 -15.677 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.057 1.753 -12.572 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.690 0.614 -12.565 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.359 0.001 -12.516 1.00 1.09 H new ATOM 1483 N GLN A 96 2.322 1.569 -17.382 1.00 0.01 N ATOM 1484 CA GLN A 96 3.200 2.462 -18.198 1.00 0.01 C ATOM 1485 C GLN A 96 3.705 3.586 -17.288 1.00 0.01 C ATOM 1486 O GLN A 96 2.931 4.186 -16.567 1.00 0.00 O ATOM 1487 CB GLN A 96 2.411 3.042 -19.378 1.00 0.53 C ATOM 1488 CG GLN A 96 0.999 3.407 -18.928 1.00 0.82 C ATOM 1489 CD GLN A 96 0.294 4.170 -20.053 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.109 3.586 -21.040 1.00 1.75 O ATOM 1491 NE2 GLN A 96 0.125 5.460 -19.943 1.00 2.05 N ATOM 0 H GLN A 96 1.530 2.039 -16.944 1.00 0.01 H new ATOM 0 HA GLN A 96 4.042 1.901 -18.602 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.918 3.925 -19.767 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.367 2.316 -20.190 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.440 2.506 -18.678 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.038 4.018 -18.027 1.00 0.82 H new ATOM 0 HE21 GLN A 96 0.463 5.950 -19.115 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.345 5.978 -20.685 1.00 2.05 H new ATOM 1500 N VAL A 97 4.982 3.892 -17.305 1.00 0.01 N ATOM 1501 CA VAL A 97 5.517 4.989 -16.429 1.00 0.01 C ATOM 1502 C VAL A 97 6.217 6.036 -17.297 1.00 0.01 C ATOM 1503 O VAL A 97 6.800 5.722 -18.316 1.00 0.01 O ATOM 1504 CB VAL A 97 6.516 4.403 -15.427 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.825 3.332 -14.582 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.687 3.775 -16.180 1.00 1.03 C ATOM 0 H VAL A 97 5.679 3.429 -17.888 1.00 0.01 H new ATOM 0 HA VAL A 97 4.695 5.456 -15.888 1.00 0.01 H new ATOM 0 HB VAL A 97 6.884 5.198 -14.778 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.537 2.916 -13.869 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.989 3.778 -14.042 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.456 2.538 -15.231 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.397 3.358 -15.466 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.318 2.982 -16.830 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.183 4.536 -16.782 1.00 1.03 H new ATOM 1516 N PHE A 98 6.134 7.289 -16.906 1.00 0.01 N ATOM 1517 CA PHE A 98 6.762 8.391 -17.710 1.00 0.01 C ATOM 1518 C PHE A 98 7.834 9.119 -16.892 1.00 0.01 C ATOM 1519 O PHE A 98 7.705 9.327 -15.702 1.00 0.01 O ATOM 1520 CB PHE A 98 5.680 9.389 -18.117 1.00 0.25 C ATOM 1521 CG PHE A 98 4.722 8.719 -19.074 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.778 7.808 -18.589 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.774 9.011 -20.443 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.885 7.187 -19.470 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.880 8.390 -21.324 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.937 7.479 -20.838 1.00 0.69 C ATOM 0 H PHE A 98 5.655 7.597 -16.060 1.00 0.01 H new ATOM 0 HA PHE A 98 7.232 7.957 -18.593 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.145 9.743 -17.236 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.132 10.262 -18.588 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.738 7.583 -17.533 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.503 9.714 -20.819 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.157 6.483 -19.095 1.00 0.56 H new ATOM 0 HE2 PHE A 98 3.919 8.615 -22.380 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.248 7.000 -21.519 1.00 0.69 H new ATOM 1536 N GLU A 99 8.909 9.467 -17.543 1.00 0.01 N ATOM 1537 CA GLU A 99 10.039 10.144 -16.844 1.00 0.01 C ATOM 1538 C GLU A 99 9.641 11.539 -16.335 1.00 0.01 C ATOM 1539 O GLU A 99 10.160 11.994 -15.336 1.00 0.01 O ATOM 1540 CB GLU A 99 11.219 10.273 -17.814 1.00 0.01 C ATOM 1541 CG GLU A 99 12.513 10.561 -17.041 1.00 0.01 C ATOM 1542 CD GLU A 99 12.491 11.997 -16.515 1.00 0.01 C ATOM 1543 OE1 GLU A 99 12.444 12.904 -17.329 1.00 0.02 O ATOM 1544 OE2 GLU A 99 12.526 12.166 -15.307 1.00 0.01 O ATOM 0 H GLU A 99 9.055 9.310 -18.540 1.00 0.01 H new ATOM 0 HA GLU A 99 10.316 9.541 -15.979 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.328 9.354 -18.390 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.027 11.075 -18.527 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.616 9.861 -16.212 1.00 0.01 H new ATOM 0 HG3 GLU A 99 13.376 10.415 -17.690 1.00 0.01 H new ATOM 1551 N LYS A 100 8.735 12.221 -17.002 1.00 0.01 N ATOM 1552 CA LYS A 100 8.324 13.594 -16.541 1.00 0.01 C ATOM 1553 C LYS A 100 6.840 13.614 -16.157 1.00 0.01 C ATOM 1554 O LYS A 100 6.093 12.683 -16.402 1.00 0.01 O ATOM 1555 CB LYS A 100 8.578 14.614 -17.654 1.00 0.94 C ATOM 1556 CG LYS A 100 10.057 14.591 -18.046 1.00 1.63 C ATOM 1557 CD LYS A 100 10.258 15.401 -19.327 1.00 2.19 C ATOM 1558 CE LYS A 100 11.751 15.662 -19.533 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.484 14.366 -19.553 1.00 3.18 N ATOM 0 H LYS A 100 8.263 11.889 -17.843 1.00 0.01 H new ATOM 0 HA LYS A 100 8.917 13.855 -15.664 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.958 14.383 -18.521 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.296 15.612 -17.317 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.664 15.006 -17.241 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.388 13.564 -18.197 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.851 14.859 -20.181 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.718 16.346 -19.262 1.00 2.19 H new ATOM 0 HE2 LYS A 100 11.912 16.197 -20.469 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.134 16.296 -18.733 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.450 14.519 -19.908 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 12.527 13.977 -18.590 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.988 13.696 -20.175 1.00 3.18 H new ATOM 1573 N GLY A 101 6.417 14.684 -15.551 1.00 0.01 N ATOM 1574 CA GLY A 101 4.996 14.810 -15.121 1.00 0.01 C ATOM 1575 C GLY A 101 4.068 14.890 -16.335 1.00 0.00 C ATOM 1576 O GLY A 101 4.497 15.048 -17.464 1.00 0.01 O ATOM 0 H GLY A 101 7.003 15.490 -15.331 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.721 13.956 -14.503 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.875 15.701 -14.505 1.00 0.01 H new ATOM 1580 N ASP A 102 2.791 14.785 -16.085 1.00 0.01 N ATOM 1581 CA ASP A 102 1.779 14.868 -17.174 1.00 0.00 C ATOM 1582 C ASP A 102 2.120 13.901 -18.303 1.00 0.00 C ATOM 1583 O ASP A 102 1.916 14.185 -19.466 1.00 0.01 O ATOM 1584 CB ASP A 102 1.730 16.299 -17.713 1.00 0.01 C ATOM 1585 CG ASP A 102 0.559 16.440 -18.686 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -0.553 16.126 -18.295 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.796 16.858 -19.807 1.00 0.01 O ATOM 0 H ASP A 102 2.400 14.642 -15.154 1.00 0.01 H new ATOM 0 HA ASP A 102 0.805 14.593 -16.770 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.619 17.005 -16.890 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.666 16.541 -18.217 1.00 0.01 H new ATOM 1592 N PHE A 103 2.606 12.743 -17.956 1.00 0.01 N ATOM 1593 CA PHE A 103 2.931 11.721 -18.986 1.00 0.01 C ATOM 1594 C PHE A 103 3.837 12.307 -20.073 1.00 0.00 C ATOM 1595 O PHE A 103 3.543 12.209 -21.248 1.00 0.01 O ATOM 1596 CB PHE A 103 1.627 11.220 -19.618 1.00 0.01 C ATOM 1597 CG PHE A 103 0.551 11.153 -18.562 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.477 10.048 -17.706 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.372 12.199 -18.439 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.521 9.990 -16.727 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.370 12.141 -17.460 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.445 11.036 -16.601 1.00 0.01 C ATOM 0 H PHE A 103 2.793 12.459 -16.994 1.00 0.01 H new ATOM 0 HA PHE A 103 3.461 10.896 -18.510 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.320 11.888 -20.423 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.779 10.236 -20.061 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.189 9.242 -17.801 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.313 13.051 -19.100 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.579 9.137 -16.067 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.082 12.947 -17.366 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.213 10.991 -15.843 1.00 0.01 H new ATOM 1612 N ASN A 104 4.948 12.892 -19.694 1.00 0.00 N ATOM 1613 CA ASN A 104 5.895 13.462 -20.705 1.00 0.01 C ATOM 1614 C ASN A 104 7.276 12.861 -20.454 1.00 0.01 C ATOM 1615 O ASN A 104 7.519 12.261 -19.426 1.00 0.01 O ATOM 1616 CB ASN A 104 5.967 14.985 -20.553 1.00 1.68 C ATOM 1617 CG ASN A 104 4.700 15.612 -21.135 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.697 15.718 -20.456 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.702 16.036 -22.369 1.00 2.38 N ATOM 0 H ASN A 104 5.241 13.000 -18.723 1.00 0.00 H new ATOM 0 HA ASN A 104 5.552 13.226 -21.712 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.069 15.252 -19.501 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.847 15.372 -21.067 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.862 16.457 -22.765 1.00 2.38 H new ATOM 0 HD22 ASN A 104 5.544 15.947 -22.938 1.00 2.38 H new ATOM 1626 N GLY A 105 8.187 12.999 -21.383 1.00 0.01 N ATOM 1627 CA GLY A 105 9.551 12.421 -21.184 1.00 0.01 C ATOM 1628 C GLY A 105 9.600 11.016 -21.780 1.00 0.01 C ATOM 1629 O GLY A 105 8.734 10.626 -22.536 1.00 0.01 O ATOM 0 H GLY A 105 8.046 13.485 -22.268 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.299 13.055 -21.659 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.791 12.385 -20.121 1.00 0.01 H new ATOM 1633 N GLN A 106 10.593 10.241 -21.439 1.00 0.01 N ATOM 1634 CA GLN A 106 10.669 8.858 -21.979 1.00 0.01 C ATOM 1635 C GLN A 106 9.640 7.995 -21.248 1.00 0.01 C ATOM 1636 O GLN A 106 9.372 8.180 -20.076 1.00 0.01 O ATOM 1637 CB GLN A 106 12.073 8.296 -21.749 1.00 0.01 C ATOM 1638 CG GLN A 106 12.126 6.843 -22.225 1.00 0.01 C ATOM 1639 CD GLN A 106 13.574 6.352 -22.218 1.00 0.01 C ATOM 1640 OE1 GLN A 106 13.970 5.586 -23.072 1.00 0.01 O ATOM 1641 NE2 GLN A 106 14.387 6.763 -21.285 1.00 0.01 N ATOM 0 H GLN A 106 11.352 10.506 -20.811 1.00 0.01 H new ATOM 0 HA GLN A 106 10.460 8.860 -23.049 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.808 8.893 -22.288 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.330 8.353 -20.691 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.516 6.215 -21.576 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.710 6.764 -23.229 1.00 0.01 H new ATOM 0 HE21 GLN A 106 14.055 7.407 -20.567 1.00 0.01 H new ATOM 0 HE22 GLN A 106 15.355 6.441 -21.273 1.00 0.01 H new ATOM 1650 N MET A 107 9.051 7.058 -21.948 1.00 0.01 N ATOM 1651 CA MET A 107 8.020 6.169 -21.330 1.00 0.01 C ATOM 1652 C MET A 107 8.509 4.720 -21.343 1.00 0.01 C ATOM 1653 O MET A 107 9.126 4.266 -22.285 1.00 0.01 O ATOM 1654 CB MET A 107 6.722 6.269 -22.138 1.00 0.00 C ATOM 1655 CG MET A 107 5.627 5.417 -21.480 1.00 0.01 C ATOM 1656 SD MET A 107 5.821 3.686 -21.975 1.00 0.01 S ATOM 1657 CE MET A 107 4.816 3.768 -23.477 1.00 0.01 C ATOM 0 H MET A 107 9.243 6.869 -22.932 1.00 0.01 H new ATOM 0 HA MET A 107 7.844 6.481 -20.301 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.400 7.309 -22.196 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.893 5.930 -23.160 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.688 5.504 -20.395 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.643 5.781 -21.775 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.796 2.789 -23.955 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.800 4.066 -23.219 1.00 0.01 H new ATOM 0 HE3 MET A 107 5.246 4.498 -24.163 1.00 0.01 H new ATOM 1667 N TYR A 108 8.209 3.990 -20.299 1.00 0.01 N ATOM 1668 CA TYR A 108 8.612 2.552 -20.209 1.00 0.00 C ATOM 1669 C TYR A 108 7.377 1.740 -19.807 1.00 0.01 C ATOM 1670 O TYR A 108 6.608 2.133 -18.953 1.00 0.01 O ATOM 1671 CB TYR A 108 9.705 2.386 -19.148 1.00 0.54 C ATOM 1672 CG TYR A 108 11.024 2.868 -19.698 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.789 2.031 -20.520 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.488 4.151 -19.384 1.00 0.93 C ATOM 1675 CE1 TYR A 108 13.014 2.480 -21.028 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.712 4.598 -19.891 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.476 3.762 -20.714 1.00 1.82 C ATOM 1678 OH TYR A 108 14.684 4.203 -21.214 1.00 2.48 O ATOM 0 H TYR A 108 7.692 4.336 -19.490 1.00 0.01 H new ATOM 0 HA TYR A 108 9.000 2.206 -21.167 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.445 2.951 -18.253 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.783 1.340 -18.853 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.434 1.040 -20.762 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.899 4.797 -18.749 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.603 1.835 -21.663 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.068 5.588 -19.648 1.00 1.51 H new ATOM 0 HH TYR A 108 14.637 4.246 -22.192 1.00 2.48 H new ATOM 1688 N GLU A 109 7.169 0.622 -20.455 1.00 0.01 N ATOM 1689 CA GLU A 109 5.970 -0.230 -20.170 1.00 0.01 C ATOM 1690 C GLU A 109 6.419 -1.608 -19.692 1.00 0.01 C ATOM 1691 O GLU A 109 7.304 -2.215 -20.263 1.00 0.01 O ATOM 1692 CB GLU A 109 5.175 -0.362 -21.473 1.00 0.01 C ATOM 1693 CG GLU A 109 3.846 -1.075 -21.207 1.00 0.01 C ATOM 1694 CD GLU A 109 4.088 -2.576 -21.031 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.737 -3.155 -21.888 1.00 0.00 O ATOM 1696 OE2 GLU A 109 3.625 -3.118 -20.042 1.00 0.00 O ATOM 0 H GLU A 109 7.787 0.257 -21.180 1.00 0.01 H new ATOM 0 HA GLU A 109 5.354 0.220 -19.391 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.989 0.625 -21.897 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.756 -0.920 -22.208 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.376 -0.666 -20.313 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.159 -0.903 -22.035 1.00 0.01 H new ATOM 1703 N THR A 110 5.814 -2.113 -18.644 1.00 0.01 N ATOM 1704 CA THR A 110 6.216 -3.457 -18.134 1.00 0.00 C ATOM 1705 C THR A 110 5.029 -4.167 -17.479 1.00 0.01 C ATOM 1706 O THR A 110 4.111 -3.556 -16.960 1.00 0.01 O ATOM 1707 CB THR A 110 7.341 -3.309 -17.107 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.550 -4.555 -16.457 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.957 -2.250 -16.072 1.00 1.69 C ATOM 0 H THR A 110 5.065 -1.655 -18.125 1.00 0.01 H new ATOM 0 HA THR A 110 6.562 -4.052 -18.979 1.00 0.00 H new ATOM 0 HB THR A 110 8.257 -3.002 -17.612 1.00 1.21 H new ATOM 0 HG1 THR A 110 7.478 -4.434 -15.487 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.760 -2.147 -15.342 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.796 -1.295 -16.572 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.041 -2.553 -15.564 1.00 1.69 H new ATOM 1717 N THR A 111 5.056 -5.472 -17.529 1.00 0.00 N ATOM 1718 CA THR A 111 3.962 -6.305 -16.940 1.00 0.01 C ATOM 1719 C THR A 111 4.484 -7.041 -15.700 1.00 0.01 C ATOM 1720 O THR A 111 3.837 -7.934 -15.191 1.00 0.01 O ATOM 1721 CB THR A 111 3.495 -7.330 -17.979 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.558 -8.229 -18.263 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.084 -6.606 -19.263 1.00 0.01 C ATOM 0 H THR A 111 5.807 -6.009 -17.963 1.00 0.00 H new ATOM 0 HA THR A 111 3.129 -5.662 -16.654 1.00 0.01 H new ATOM 0 HB THR A 111 2.642 -7.884 -17.587 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.617 -8.901 -17.552 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.752 -7.336 -20.002 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.271 -5.914 -19.046 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.936 -6.053 -19.657 1.00 0.01 H new ATOM 1731 N GLU A 112 5.664 -6.698 -15.232 1.00 0.01 N ATOM 1732 CA GLU A 112 6.254 -7.406 -14.045 1.00 0.01 C ATOM 1733 C GLU A 112 6.546 -6.429 -12.899 1.00 0.01 C ATOM 1734 O GLU A 112 6.622 -5.230 -13.085 1.00 0.01 O ATOM 1735 CB GLU A 112 7.565 -8.073 -14.468 1.00 0.85 C ATOM 1736 CG GLU A 112 7.329 -8.925 -15.715 1.00 1.61 C ATOM 1737 CD GLU A 112 6.283 -9.999 -15.410 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.368 -10.592 -14.348 1.00 3.21 O ATOM 1739 OE2 GLU A 112 5.415 -10.207 -16.242 1.00 3.07 O ATOM 0 H GLU A 112 6.246 -5.956 -15.622 1.00 0.01 H new ATOM 0 HA GLU A 112 5.534 -8.145 -13.694 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.321 -7.315 -14.671 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.946 -8.694 -13.658 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.991 -8.297 -16.539 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.262 -9.391 -16.032 1.00 1.61 H new ATOM 1746 N ASP A 113 6.733 -6.951 -11.715 1.00 0.01 N ATOM 1747 CA ASP A 113 7.049 -6.089 -10.538 1.00 0.01 C ATOM 1748 C ASP A 113 8.419 -5.449 -10.763 1.00 0.00 C ATOM 1749 O ASP A 113 9.258 -5.992 -11.454 1.00 0.01 O ATOM 1750 CB ASP A 113 7.101 -6.960 -9.278 1.00 0.01 C ATOM 1751 CG ASP A 113 5.679 -7.287 -8.823 1.00 0.01 C ATOM 1752 OD1 ASP A 113 4.901 -7.721 -9.654 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.394 -7.099 -7.651 1.00 0.00 O ATOM 0 H ASP A 113 6.680 -7.949 -11.511 1.00 0.01 H new ATOM 0 HA ASP A 113 6.288 -5.318 -10.418 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.649 -7.880 -9.482 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.637 -6.439 -8.485 1.00 0.01 H new ATOM 1758 N CYS A 114 8.663 -4.308 -10.155 1.00 0.01 N ATOM 1759 CA CYS A 114 9.991 -3.630 -10.292 1.00 0.01 C ATOM 1760 C CYS A 114 10.581 -3.416 -8.880 1.00 0.01 C ATOM 1761 O CYS A 114 10.069 -2.596 -8.138 1.00 0.01 O ATOM 1762 CB CYS A 114 9.778 -2.263 -10.943 1.00 0.01 C ATOM 1763 SG CYS A 114 11.309 -1.303 -10.847 1.00 0.01 S ATOM 0 H CYS A 114 7.992 -3.816 -9.566 1.00 0.01 H new ATOM 0 HA CYS A 114 10.665 -4.236 -10.898 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.479 -2.387 -11.984 1.00 0.01 H new ATOM 0 HB3 CYS A 114 8.970 -1.731 -10.440 1.00 0.01 H new ATOM 0 HG CYS A 114 12.056 -1.573 -11.876 1.00 0.01 H new ATOM 1769 N PRO A 115 11.641 -4.115 -8.492 1.00 0.01 N ATOM 1770 CA PRO A 115 12.233 -3.912 -7.137 1.00 0.01 C ATOM 1771 C PRO A 115 13.092 -2.640 -7.068 1.00 0.01 C ATOM 1772 O PRO A 115 13.179 -2.002 -6.037 1.00 0.01 O ATOM 1773 CB PRO A 115 13.087 -5.177 -6.965 1.00 0.01 C ATOM 1774 CG PRO A 115 13.351 -5.753 -8.368 1.00 0.01 C ATOM 1775 CD PRO A 115 12.316 -5.148 -9.336 1.00 0.01 C ATOM 0 HA PRO A 115 11.485 -3.775 -6.356 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.026 -4.940 -6.465 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.570 -5.907 -6.342 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.363 -5.513 -8.694 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.270 -6.840 -8.355 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.791 -4.707 -10.213 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.613 -5.898 -9.697 1.00 0.01 H new ATOM 1783 N SER A 116 13.742 -2.277 -8.145 1.00 0.01 N ATOM 1784 CA SER A 116 14.607 -1.056 -8.128 1.00 0.02 C ATOM 1785 C SER A 116 14.442 -0.305 -9.449 1.00 0.01 C ATOM 1786 O SER A 116 14.875 -0.747 -10.496 1.00 0.00 O ATOM 1787 CB SER A 116 16.065 -1.479 -7.944 1.00 0.01 C ATOM 1788 OG SER A 116 16.321 -2.622 -8.747 1.00 0.01 O ATOM 0 H SER A 116 13.712 -2.773 -9.036 1.00 0.01 H new ATOM 0 HA SER A 116 14.316 -0.402 -7.306 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.732 -0.664 -8.226 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.262 -1.704 -6.896 1.00 0.01 H new ATOM 0 HG SER A 116 15.885 -2.514 -9.618 1.00 0.01 H new ATOM 1794 N ILE A 117 13.786 0.819 -9.397 1.00 0.01 N ATOM 1795 CA ILE A 117 13.540 1.615 -10.630 1.00 0.01 C ATOM 1796 C ILE A 117 14.862 2.098 -11.234 1.00 0.01 C ATOM 1797 O ILE A 117 15.022 2.112 -12.436 1.00 0.00 O ATOM 1798 CB ILE A 117 12.649 2.822 -10.268 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.185 2.374 -10.221 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.795 3.946 -11.305 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.329 3.466 -9.579 1.00 1.83 C ATOM 0 H ILE A 117 13.405 1.225 -8.542 1.00 0.01 H new ATOM 0 HA ILE A 117 13.040 0.992 -11.371 1.00 0.01 H new ATOM 0 HB ILE A 117 12.963 3.201 -9.295 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.827 2.164 -11.229 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.097 1.448 -9.652 1.00 1.44 H new ATOM 0 HG21 ILE A 117 12.156 4.784 -11.026 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.833 4.277 -11.340 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.499 3.576 -12.287 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.289 3.142 -9.548 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.680 3.655 -8.565 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.407 4.381 -10.166 1.00 1.83 H new ATOM 1813 N MET A 118 15.791 2.529 -10.424 1.00 0.02 N ATOM 1814 CA MET A 118 17.065 3.048 -10.993 1.00 0.01 C ATOM 1815 C MET A 118 17.839 1.926 -11.674 1.00 0.01 C ATOM 1816 O MET A 118 18.435 2.121 -12.710 1.00 0.02 O ATOM 1817 CB MET A 118 17.925 3.685 -9.896 1.00 0.24 C ATOM 1818 CG MET A 118 19.259 4.145 -10.489 1.00 0.63 C ATOM 1819 SD MET A 118 20.056 5.305 -9.349 1.00 1.20 S ATOM 1820 CE MET A 118 19.409 6.834 -10.073 1.00 1.34 C ATOM 0 H MET A 118 15.724 2.544 -9.406 1.00 0.02 H new ATOM 0 HA MET A 118 16.822 3.810 -11.734 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.400 4.533 -9.455 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.100 2.967 -9.095 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.907 3.286 -10.664 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.095 4.622 -11.455 1.00 0.63 H new ATOM 0 HE1 MET A 118 19.741 7.686 -9.480 1.00 1.34 H new ATOM 0 HE2 MET A 118 19.777 6.937 -11.094 1.00 1.34 H new ATOM 0 HE3 MET A 118 18.320 6.800 -10.082 1.00 1.34 H new ATOM 1830 N GLU A 119 17.844 0.749 -11.132 1.00 0.01 N ATOM 1831 CA GLU A 119 18.596 -0.341 -11.798 1.00 0.02 C ATOM 1832 C GLU A 119 17.872 -0.743 -13.088 1.00 0.02 C ATOM 1833 O GLU A 119 18.491 -1.070 -14.081 1.00 0.01 O ATOM 1834 CB GLU A 119 18.684 -1.548 -10.859 1.00 0.30 C ATOM 1835 CG GLU A 119 19.755 -1.299 -9.791 1.00 0.99 C ATOM 1836 CD GLU A 119 19.444 -0.003 -9.040 1.00 1.69 C ATOM 1837 OE1 GLU A 119 19.686 1.054 -9.599 1.00 2.07 O ATOM 1838 OE2 GLU A 119 18.976 -0.091 -7.919 1.00 2.11 O ATOM 0 H GLU A 119 17.367 0.494 -10.267 1.00 0.01 H new ATOM 0 HA GLU A 119 19.602 0.002 -12.039 1.00 0.02 H new ATOM 0 HB2 GLU A 119 17.718 -1.722 -10.385 1.00 0.30 H new ATOM 0 HB3 GLU A 119 18.926 -2.446 -11.428 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.788 -2.136 -9.093 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.738 -1.234 -10.257 1.00 0.99 H new ATOM 1845 N GLN A 120 16.564 -0.773 -13.063 1.00 0.00 N ATOM 1846 CA GLN A 120 15.798 -1.216 -14.264 1.00 0.01 C ATOM 1847 C GLN A 120 15.658 -0.105 -15.312 1.00 0.01 C ATOM 1848 O GLN A 120 15.835 -0.337 -16.491 1.00 0.01 O ATOM 1849 CB GLN A 120 14.401 -1.660 -13.825 1.00 0.52 C ATOM 1850 CG GLN A 120 13.712 -2.399 -14.973 1.00 1.07 C ATOM 1851 CD GLN A 120 12.256 -2.676 -14.594 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.866 -2.491 -13.458 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.429 -3.111 -15.504 1.00 2.08 N ATOM 0 H GLN A 120 15.993 -0.509 -12.260 1.00 0.00 H new ATOM 0 HA GLN A 120 16.349 -2.037 -14.723 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.472 -2.309 -12.952 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.809 -0.794 -13.530 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.755 -1.801 -15.884 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.230 -3.335 -15.181 1.00 1.07 H new ATOM 0 HE21 GLN A 120 11.756 -3.266 -16.458 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.455 -3.296 -15.262 1.00 2.08 H new ATOM 1862 N PHE A 121 15.268 1.079 -14.902 1.00 0.02 N ATOM 1863 CA PHE A 121 15.026 2.184 -15.888 1.00 0.01 C ATOM 1864 C PHE A 121 16.052 3.314 -15.771 1.00 0.01 C ATOM 1865 O PHE A 121 16.007 4.271 -16.517 1.00 0.01 O ATOM 1866 CB PHE A 121 13.629 2.748 -15.642 1.00 0.01 C ATOM 1867 CG PHE A 121 12.614 1.635 -15.763 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.334 1.081 -17.018 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.956 1.154 -14.625 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.395 0.048 -17.133 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.018 0.121 -14.740 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.739 -0.432 -15.995 1.00 0.01 C ATOM 0 H PHE A 121 15.106 1.329 -13.926 1.00 0.02 H new ATOM 0 HA PHE A 121 15.120 1.768 -16.891 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.575 3.199 -14.651 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.410 3.536 -16.363 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.842 1.450 -17.897 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.172 1.580 -13.657 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.177 -0.378 -18.101 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.510 -0.249 -13.861 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.017 -1.230 -16.085 1.00 0.01 H new ATOM 1882 N HIS A 122 16.968 3.229 -14.847 1.00 0.01 N ATOM 1883 CA HIS A 122 17.975 4.318 -14.692 1.00 0.01 C ATOM 1884 C HIS A 122 17.261 5.631 -14.359 1.00 0.01 C ATOM 1885 O HIS A 122 17.680 6.694 -14.769 1.00 0.02 O ATOM 1886 CB HIS A 122 18.779 4.458 -15.990 1.00 0.01 C ATOM 1887 CG HIS A 122 19.062 3.092 -16.551 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.509 2.656 -17.745 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.830 2.051 -16.092 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.951 1.404 -17.962 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.760 0.988 -16.984 1.00 0.01 N ATOM 0 H HIS A 122 17.064 2.453 -14.192 1.00 0.01 H new ATOM 0 HA HIS A 122 18.659 4.076 -13.879 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.222 5.052 -16.714 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.713 4.985 -15.797 1.00 0.01 H new ATOM 0 HD2 HIS A 122 20.402 2.057 -15.176 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.684 0.808 -18.822 1.00 0.00 H new ATOM 0 HE2 HIS A 122 20.226 0.084 -16.908 1.00 0.01 H new ATOM 1899 N LEU A 123 16.183 5.560 -13.604 1.00 0.01 N ATOM 1900 CA LEU A 123 15.424 6.804 -13.224 1.00 0.01 C ATOM 1901 C LEU A 123 15.521 7.016 -11.711 1.00 0.02 C ATOM 1902 O LEU A 123 15.399 6.090 -10.936 1.00 0.01 O ATOM 1903 CB LEU A 123 13.954 6.652 -13.618 1.00 0.01 C ATOM 1904 CG LEU A 123 13.849 6.236 -15.087 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.374 6.060 -15.459 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.481 7.313 -15.982 1.00 0.01 C ATOM 0 H LEU A 123 15.795 4.692 -13.234 1.00 0.01 H new ATOM 0 HA LEU A 123 15.853 7.660 -13.745 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.474 5.906 -12.985 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.427 7.593 -13.459 1.00 0.01 H new ATOM 0 HG LEU A 123 14.379 5.295 -15.234 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.295 5.764 -16.505 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.929 5.290 -14.829 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.846 7.001 -15.308 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.403 7.010 -17.026 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.958 8.258 -15.838 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.531 7.435 -15.718 1.00 0.01 H new ATOM 1918 N ARG A 124 15.754 8.230 -11.285 1.00 0.01 N ATOM 1919 CA ARG A 124 15.878 8.507 -9.818 1.00 0.00 C ATOM 1920 C ARG A 124 14.499 8.834 -9.213 1.00 0.01 C ATOM 1921 O ARG A 124 14.306 8.735 -8.017 1.00 0.01 O ATOM 1922 CB ARG A 124 16.862 9.692 -9.579 1.00 1.67 C ATOM 1923 CG ARG A 124 17.238 10.373 -10.909 1.00 1.98 C ATOM 1924 CD ARG A 124 16.013 11.072 -11.522 1.00 2.92 C ATOM 1925 NE ARG A 124 16.163 11.112 -13.002 1.00 3.54 N ATOM 1926 CZ ARG A 124 15.135 11.384 -13.752 1.00 4.57 C ATOM 1927 NH1 ARG A 124 13.977 11.632 -13.207 1.00 5.25 N ATOM 1928 NH2 ARG A 124 15.263 11.408 -15.050 1.00 5.32 N ATOM 0 H ARG A 124 15.864 9.045 -11.889 1.00 0.01 H new ATOM 0 HA ARG A 124 16.270 7.616 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.404 10.420 -8.910 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.763 9.328 -9.085 1.00 1.67 H new ATOM 0 HG2 ARG A 124 18.032 11.100 -10.740 1.00 1.98 H new ATOM 0 HG3 ARG A 124 17.628 9.632 -11.606 1.00 1.98 H new ATOM 0 HD2 ARG A 124 15.102 10.539 -11.251 1.00 2.92 H new ATOM 0 HD3 ARG A 124 15.920 12.083 -11.126 1.00 2.92 H new ATOM 0 HE ARG A 124 17.071 10.926 -13.428 1.00 3.54 H new ATOM 0 HH11 ARG A 124 13.876 11.613 -12.192 1.00 5.25 H new ATOM 0 HH12 ARG A 124 13.172 11.845 -13.795 1.00 5.25 H new ATOM 0 HH21 ARG A 124 16.169 11.214 -15.477 1.00 5.32 H new ATOM 0 HH22 ARG A 124 14.457 11.621 -15.638 1.00 5.32 H new ATOM 1942 N GLU A 125 13.545 9.242 -10.013 1.00 0.01 N ATOM 1943 CA GLU A 125 12.200 9.593 -9.453 1.00 0.01 C ATOM 1944 C GLU A 125 11.101 9.302 -10.482 1.00 0.01 C ATOM 1945 O GLU A 125 11.367 9.129 -11.655 1.00 0.01 O ATOM 1946 CB GLU A 125 12.166 11.086 -9.115 1.00 0.01 C ATOM 1947 CG GLU A 125 13.174 11.381 -8.002 1.00 0.01 C ATOM 1948 CD GLU A 125 12.902 12.771 -7.425 1.00 0.02 C ATOM 1949 OE1 GLU A 125 13.466 13.724 -7.937 1.00 0.02 O ATOM 1950 OE2 GLU A 125 12.136 12.859 -6.479 1.00 0.01 O ATOM 0 H GLU A 125 13.637 9.347 -11.023 1.00 0.01 H new ATOM 0 HA GLU A 125 12.028 8.995 -8.558 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.403 11.676 -10.001 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.164 11.375 -8.799 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.097 10.628 -7.218 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.190 11.330 -8.394 1.00 0.01 H new ATOM 1957 N ILE A 126 9.861 9.278 -10.049 1.00 0.01 N ATOM 1958 CA ILE A 126 8.715 9.030 -10.985 1.00 0.01 C ATOM 1959 C ILE A 126 7.711 10.166 -10.782 1.00 0.01 C ATOM 1960 O ILE A 126 7.285 10.415 -9.672 1.00 0.01 O ATOM 1961 CB ILE A 126 8.034 7.702 -10.622 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.055 6.544 -10.674 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.874 7.432 -11.595 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.182 5.992 -12.102 1.00 1.70 C ATOM 0 H ILE A 126 9.591 9.421 -9.076 1.00 0.01 H new ATOM 0 HA ILE A 126 9.064 8.985 -12.017 1.00 0.01 H new ATOM 0 HB ILE A 126 7.641 7.770 -9.608 1.00 1.33 H new ATOM 0 HG12 ILE A 126 10.027 6.894 -10.327 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.743 5.748 -9.998 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.393 6.489 -11.335 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.147 8.241 -11.528 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.259 7.374 -12.613 1.00 2.17 H new ATOM 0 HD11 ILE A 126 9.906 5.178 -12.114 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.213 5.621 -12.436 1.00 1.70 H new ATOM 0 HD13 ILE A 126 9.517 6.785 -12.770 1.00 1.70 H new ATOM 1976 N HIS A 127 7.360 10.889 -11.824 1.00 0.01 N ATOM 1977 CA HIS A 127 6.418 12.047 -11.649 1.00 0.01 C ATOM 1978 C HIS A 127 5.041 11.775 -12.250 1.00 0.01 C ATOM 1979 O HIS A 127 4.087 12.468 -11.960 1.00 0.01 O ATOM 1980 CB HIS A 127 7.019 13.295 -12.300 1.00 0.02 C ATOM 1981 CG HIS A 127 8.489 13.359 -11.996 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.041 14.377 -11.235 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.533 12.540 -12.344 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.364 14.144 -11.151 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.716 13.037 -11.809 1.00 0.02 N ATOM 0 H HIS A 127 7.681 10.730 -12.779 1.00 0.01 H new ATOM 0 HA HIS A 127 6.283 12.199 -10.578 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.860 13.268 -13.378 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.520 14.189 -11.927 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.449 11.645 -12.943 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.057 14.776 -10.616 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.652 12.641 -11.900 1.00 0.02 H new ATOM 1993 N SER A 128 4.910 10.760 -13.059 1.00 0.01 N ATOM 1994 CA SER A 128 3.578 10.438 -13.640 1.00 0.01 C ATOM 1995 C SER A 128 3.583 8.981 -14.104 1.00 0.01 C ATOM 1996 O SER A 128 4.613 8.435 -14.457 1.00 0.01 O ATOM 1997 CB SER A 128 3.304 11.355 -14.834 1.00 0.01 C ATOM 1998 OG SER A 128 2.414 10.703 -15.732 1.00 0.01 O ATOM 0 H SER A 128 5.669 10.140 -13.342 1.00 0.01 H new ATOM 0 HA SER A 128 2.801 10.586 -12.890 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.871 12.295 -14.493 1.00 0.01 H new ATOM 0 HB3 SER A 128 4.237 11.599 -15.342 1.00 0.01 H new ATOM 0 HG SER A 128 1.609 11.250 -15.849 1.00 0.01 H new ATOM 2004 N CYS A 129 2.447 8.344 -14.104 1.00 0.01 N ATOM 2005 CA CYS A 129 2.387 6.923 -14.537 1.00 0.01 C ATOM 2006 C CYS A 129 0.925 6.520 -14.710 1.00 0.00 C ATOM 2007 O CYS A 129 0.063 6.991 -13.993 1.00 0.01 O ATOM 2008 CB CYS A 129 3.045 6.031 -13.480 1.00 0.69 C ATOM 2009 SG CYS A 129 2.118 6.148 -11.928 1.00 1.22 S ATOM 0 H CYS A 129 1.554 8.749 -13.822 1.00 0.01 H new ATOM 0 HA CYS A 129 2.918 6.804 -15.482 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.068 4.997 -13.825 1.00 0.69 H new ATOM 0 HB3 CYS A 129 4.079 6.338 -13.322 1.00 0.69 H new ATOM 0 HG CYS A 129 2.714 5.444 -11.012 1.00 1.22 H new ATOM 2015 N LYS A 130 0.632 5.658 -15.658 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.789 5.229 -15.881 1.00 0.01 C ATOM 2017 C LYS A 130 -0.884 3.707 -15.742 1.00 0.01 C ATOM 2018 O LYS A 130 -0.424 2.947 -16.574 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.237 5.671 -17.293 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.705 6.119 -17.279 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.209 6.248 -18.717 1.00 0.29 C ATOM 2022 CE LYS A 130 -4.569 6.948 -18.720 1.00 0.33 C ATOM 2023 NZ LYS A 130 -5.002 7.175 -20.128 1.00 1.41 N ATOM 0 H LYS A 130 1.314 5.234 -16.286 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.442 5.692 -15.141 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -0.605 6.488 -17.642 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -1.109 4.847 -17.995 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.312 5.397 -16.732 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -2.801 7.073 -16.761 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -2.495 6.815 -19.314 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -3.295 5.262 -19.173 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -5.305 6.340 -18.194 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -4.503 7.898 -18.190 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -5.927 7.651 -20.134 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -4.302 7.771 -20.615 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -5.080 6.261 -20.619 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.500 3.277 -14.679 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.693 1.824 -14.402 1.00 0.01 C ATOM 2039 C VAL A 131 -3.188 1.532 -14.579 1.00 0.01 C ATOM 2040 O VAL A 131 -4.015 2.239 -14.039 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.212 1.508 -12.960 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -0.103 2.487 -12.566 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -2.349 1.648 -11.938 1.00 0.01 C ATOM 0 H VAL A 131 -1.891 3.892 -13.966 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.114 1.197 -15.080 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.853 0.479 -12.954 1.00 0.01 H new ATOM 0 HG11 VAL A 131 0.235 2.266 -11.554 1.00 0.01 H new ATOM 0 HG12 VAL A 131 0.733 2.387 -13.258 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -0.487 3.506 -12.606 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.972 1.419 -10.941 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.731 2.669 -11.956 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -3.152 0.956 -12.190 1.00 0.01 H new ATOM 2053 N VAL A 132 -3.560 0.486 -15.286 1.00 0.01 N ATOM 2054 CA VAL A 132 -4.999 0.153 -15.427 1.00 0.01 C ATOM 2055 C VAL A 132 -5.153 -1.316 -15.065 1.00 0.00 C ATOM 2056 O VAL A 132 -5.047 -2.209 -15.881 1.00 0.01 O ATOM 2057 CB VAL A 132 -5.440 0.376 -16.874 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -6.964 0.315 -16.958 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -4.959 1.750 -17.347 1.00 1.98 C ATOM 0 H VAL A 132 -2.921 -0.146 -15.768 1.00 0.01 H new ATOM 0 HA VAL A 132 -5.611 0.781 -14.780 1.00 0.01 H new ATOM 0 HB VAL A 132 -5.010 -0.399 -17.508 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -7.278 0.474 -17.990 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -7.308 -0.663 -16.620 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -7.395 1.090 -16.324 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -5.273 1.910 -18.379 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -5.390 2.525 -16.712 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -3.872 1.795 -17.287 1.00 1.98 H new ATOM 2069 N GLU A 133 -5.447 -1.530 -13.836 1.00 0.01 N ATOM 2070 CA GLU A 133 -5.685 -2.894 -13.291 1.00 0.01 C ATOM 2071 C GLU A 133 -6.721 -2.715 -12.196 1.00 0.01 C ATOM 2072 O GLU A 133 -7.818 -3.234 -12.256 1.00 0.01 O ATOM 2073 CB GLU A 133 -4.390 -3.462 -12.703 1.00 0.00 C ATOM 2074 CG GLU A 133 -4.589 -4.940 -12.363 1.00 0.00 C ATOM 2075 CD GLU A 133 -3.438 -5.419 -11.475 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -2.586 -4.607 -11.156 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -3.430 -6.589 -11.126 1.00 0.00 O ATOM 0 H GLU A 133 -5.539 -0.787 -13.144 1.00 0.01 H new ATOM 0 HA GLU A 133 -6.022 -3.587 -14.062 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -3.574 -3.349 -13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -4.110 -2.906 -11.808 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.541 -5.081 -11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -4.628 -5.532 -13.277 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.360 -1.981 -11.186 1.00 0.01 N ATOM 2085 CA GLY A 134 -7.284 -1.742 -10.050 1.00 0.01 C ATOM 2086 C GLY A 134 -6.476 -1.150 -8.898 1.00 0.01 C ATOM 2087 O GLY A 134 -6.570 0.023 -8.603 1.00 0.01 O ATOM 0 H GLY A 134 -5.449 -1.530 -11.099 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -8.082 -1.060 -10.345 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -7.758 -2.674 -9.743 1.00 0.01 H new ATOM 2091 N THR A 135 -5.675 -1.961 -8.247 1.00 0.01 N ATOM 2092 CA THR A 135 -4.840 -1.467 -7.106 1.00 0.01 C ATOM 2093 C THR A 135 -3.351 -1.766 -7.359 1.00 0.01 C ATOM 2094 O THR A 135 -2.959 -2.892 -7.591 1.00 0.01 O ATOM 2095 CB THR A 135 -5.306 -2.160 -5.827 1.00 1.43 C ATOM 2096 OG1 THR A 135 -5.138 -3.563 -5.962 1.00 1.92 O ATOM 2097 CG2 THR A 135 -6.786 -1.842 -5.597 1.00 2.30 C ATOM 0 H THR A 135 -5.564 -2.952 -8.460 1.00 0.01 H new ATOM 0 HA THR A 135 -4.955 -0.388 -7.008 1.00 0.01 H new ATOM 0 HB THR A 135 -4.718 -1.806 -4.980 1.00 1.43 H new ATOM 0 HG1 THR A 135 -4.454 -3.747 -6.639 1.00 1.92 H new ATOM 0 HG21 THR A 135 -7.126 -2.333 -4.685 1.00 2.30 H new ATOM 0 HG22 THR A 135 -6.916 -0.764 -5.498 1.00 2.30 H new ATOM 0 HG23 THR A 135 -7.371 -2.202 -6.443 1.00 2.30 H new ATOM 2105 N TRP A 136 -2.525 -0.752 -7.300 1.00 0.01 N ATOM 2106 CA TRP A 136 -1.044 -0.918 -7.511 1.00 0.01 C ATOM 2107 C TRP A 136 -0.346 -0.311 -6.292 1.00 0.01 C ATOM 2108 O TRP A 136 -0.866 0.613 -5.698 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.610 -0.171 -8.785 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.791 -1.043 -9.988 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.974 -1.318 -10.583 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.225 -1.750 -10.754 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.748 -2.150 -11.664 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.407 -2.445 -11.811 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.621 -1.853 -10.636 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.319 -3.216 -12.718 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.356 -2.629 -11.546 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.706 -3.309 -12.585 1.00 0.01 C ATOM 0 H TRP A 136 -2.817 0.207 -7.111 1.00 0.01 H new ATOM 0 HA TRP A 136 -0.783 -1.970 -7.627 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.197 0.741 -8.897 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.434 0.130 -8.700 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.938 -0.948 -10.266 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.482 -2.503 -12.278 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.132 -1.332 -9.840 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -0.187 -3.737 -13.517 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.429 -2.702 -11.445 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.277 -3.904 -13.282 1.00 0.01 H new ATOM 2129 N ILE A 137 0.824 -0.783 -5.899 1.00 0.01 N ATOM 2130 CA ILE A 137 1.511 -0.177 -4.709 1.00 0.00 C ATOM 2131 C ILE A 137 2.859 0.408 -5.132 1.00 0.01 C ATOM 2132 O ILE A 137 3.651 -0.232 -5.797 1.00 0.01 O ATOM 2133 CB ILE A 137 1.782 -1.253 -3.652 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.504 -2.039 -3.341 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.292 -0.592 -2.371 1.00 1.37 C ATOM 2136 CD1 ILE A 137 0.886 -3.332 -2.614 1.00 1.69 C ATOM 0 H ILE A 137 1.324 -1.551 -6.347 1.00 0.01 H new ATOM 0 HA ILE A 137 0.865 0.600 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 137 2.532 -1.941 -4.041 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.166 -1.442 -2.722 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -0.032 -2.268 -4.262 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.485 -1.357 -1.619 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.214 -0.051 -2.583 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.541 0.104 -1.997 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -0.015 -3.901 -2.387 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.541 -3.928 -3.250 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.405 -3.088 -1.687 1.00 1.69 H new ATOM 2148 N PHE A 138 3.126 1.616 -4.717 1.00 0.01 N ATOM 2149 CA PHE A 138 4.431 2.284 -5.035 1.00 0.01 C ATOM 2150 C PHE A 138 5.188 2.400 -3.706 1.00 0.01 C ATOM 2151 O PHE A 138 4.587 2.657 -2.683 1.00 0.00 O ATOM 2152 CB PHE A 138 4.164 3.687 -5.624 1.00 1.11 C ATOM 2153 CG PHE A 138 3.998 3.650 -7.145 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.583 2.487 -7.826 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.264 4.814 -7.880 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.443 2.501 -9.222 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.122 4.821 -9.272 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.713 3.667 -9.943 1.00 2.49 C ATOM 0 H PHE A 138 2.486 2.183 -4.160 1.00 0.01 H new ATOM 0 HA PHE A 138 5.008 1.719 -5.767 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.265 4.105 -5.172 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.989 4.351 -5.366 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.373 1.584 -7.272 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.581 5.711 -7.368 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.126 1.608 -9.741 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.330 5.722 -9.829 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.605 3.676 -11.018 1.00 2.49 H new ATOM 2168 N TYR A 139 6.493 2.214 -3.701 1.00 0.01 N ATOM 2169 CA TYR A 139 7.275 2.315 -2.420 1.00 0.01 C ATOM 2170 C TYR A 139 8.374 3.368 -2.567 1.00 0.01 C ATOM 2171 O TYR A 139 8.947 3.544 -3.629 1.00 0.01 O ATOM 2172 CB TYR A 139 7.911 0.962 -2.099 1.00 0.01 C ATOM 2173 CG TYR A 139 6.849 -0.114 -2.126 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.327 -0.545 -3.346 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.390 -0.683 -0.930 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.346 -1.545 -3.379 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.408 -1.681 -0.960 1.00 0.02 C ATOM 2178 CZ TYR A 139 4.886 -2.111 -2.184 1.00 0.02 C ATOM 2179 OH TYR A 139 3.919 -3.096 -2.212 1.00 0.00 O ATOM 0 H TYR A 139 7.049 1.997 -4.528 1.00 0.01 H new ATOM 0 HA TYR A 139 6.602 2.603 -1.612 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.693 0.735 -2.824 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.386 0.995 -1.118 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.680 -0.107 -4.268 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.794 -0.352 0.015 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.945 -1.879 -4.325 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.054 -2.118 -0.038 1.00 0.02 H new ATOM 0 HH TYR A 139 3.715 -3.380 -1.297 1.00 0.00 H new ATOM 2189 N GLU A 140 8.635 4.101 -1.513 1.00 0.01 N ATOM 2190 CA GLU A 140 9.642 5.197 -1.570 1.00 0.02 C ATOM 2191 C GLU A 140 11.069 4.648 -1.603 1.00 0.01 C ATOM 2192 O GLU A 140 11.941 5.268 -2.178 1.00 0.01 O ATOM 2193 CB GLU A 140 9.465 6.057 -0.320 1.00 0.01 C ATOM 2194 CG GLU A 140 10.354 7.302 -0.418 1.00 0.02 C ATOM 2195 CD GLU A 140 9.916 8.324 0.633 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.748 8.676 0.636 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.756 8.735 1.417 1.00 0.02 O ATOM 0 H GLU A 140 8.185 3.982 -0.605 1.00 0.01 H new ATOM 0 HA GLU A 140 9.488 5.777 -2.480 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.421 6.352 -0.215 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.725 5.482 0.569 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.398 7.030 -0.263 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.282 7.736 -1.415 1.00 0.02 H new ATOM 2204 N LEU A 141 11.340 3.510 -0.997 1.00 0.01 N ATOM 2205 CA LEU A 141 12.740 2.961 -1.007 1.00 0.02 C ATOM 2206 C LEU A 141 12.748 1.624 -1.778 1.00 0.01 C ATOM 2207 O LEU A 141 11.734 0.952 -1.859 1.00 0.01 O ATOM 2208 CB LEU A 141 13.178 2.724 0.454 1.00 0.57 C ATOM 2209 CG LEU A 141 13.732 4.030 1.063 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.634 3.971 2.588 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.201 4.230 0.669 1.00 1.24 C ATOM 0 H LEU A 141 10.656 2.941 -0.499 1.00 0.01 H new ATOM 0 HA LEU A 141 13.424 3.659 -1.490 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.331 2.370 1.042 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.940 1.945 0.491 1.00 0.57 H new ATOM 0 HG LEU A 141 13.142 4.863 0.681 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.026 4.895 3.014 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.591 3.850 2.881 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.215 3.126 2.958 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.573 5.156 1.108 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.793 3.391 1.035 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.282 4.285 -0.417 1.00 1.24 H new ATOM 2223 N PRO A 142 13.881 1.228 -2.339 1.00 0.01 N ATOM 2224 CA PRO A 142 13.963 -0.051 -3.105 1.00 0.01 C ATOM 2225 C PRO A 142 13.530 -1.272 -2.283 1.00 0.01 C ATOM 2226 O PRO A 142 13.405 -1.234 -1.074 1.00 0.01 O ATOM 2227 CB PRO A 142 15.461 -0.130 -3.482 1.00 0.01 C ATOM 2228 CG PRO A 142 16.199 1.029 -2.783 1.00 0.02 C ATOM 2229 CD PRO A 142 15.146 2.019 -2.259 1.00 0.01 C ATOM 0 HA PRO A 142 13.290 -0.061 -3.963 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.880 -1.088 -3.173 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.584 -0.062 -4.563 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.809 0.652 -1.962 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.875 1.525 -3.480 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.361 2.336 -1.239 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.099 2.921 -2.870 1.00 0.01 H new ATOM 2237 N ASN A 143 13.332 -2.361 -2.972 1.00 0.01 N ATOM 2238 CA ASN A 143 12.936 -3.638 -2.317 1.00 0.01 C ATOM 2239 C ASN A 143 11.609 -3.493 -1.570 1.00 0.01 C ATOM 2240 O ASN A 143 11.358 -4.154 -0.582 1.00 0.01 O ATOM 2241 CB ASN A 143 14.025 -4.054 -1.326 1.00 0.23 C ATOM 2242 CG ASN A 143 13.825 -5.516 -0.926 1.00 0.11 C ATOM 2243 OD1 ASN A 143 12.735 -6.045 -1.038 1.00 0.75 O ATOM 2244 ND2 ASN A 143 14.838 -6.198 -0.462 1.00 0.56 N ATOM 0 H ASN A 143 13.431 -2.420 -3.986 1.00 0.01 H new ATOM 0 HA ASN A 143 12.813 -4.395 -3.091 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.009 -3.921 -1.775 1.00 0.23 H new ATOM 0 HB3 ASN A 143 13.989 -3.417 -0.442 1.00 0.23 H new ATOM 0 HD21 ASN A 143 14.715 -7.174 -0.193 1.00 0.56 H new ATOM 0 HD22 ASN A 143 15.752 -5.754 -0.368 1.00 0.56 H new ATOM 2251 N TYR A 144 10.745 -2.652 -2.064 1.00 0.01 N ATOM 2252 CA TYR A 144 9.408 -2.471 -1.430 1.00 0.02 C ATOM 2253 C TYR A 144 9.548 -2.065 0.042 1.00 0.01 C ATOM 2254 O TYR A 144 8.951 -2.667 0.914 1.00 0.01 O ATOM 2255 CB TYR A 144 8.620 -3.785 -1.537 1.00 0.01 C ATOM 2256 CG TYR A 144 8.983 -4.474 -2.838 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.848 -3.788 -4.053 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.462 -5.791 -2.829 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.190 -4.418 -5.256 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.806 -6.420 -4.032 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.670 -5.733 -5.246 1.00 0.01 C ATOM 2262 OH TYR A 144 10.005 -6.353 -6.431 1.00 0.01 O ATOM 0 H TYR A 144 10.909 -2.075 -2.889 1.00 0.01 H new ATOM 0 HA TYR A 144 8.876 -1.674 -1.950 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.851 -4.432 -0.691 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.549 -3.586 -1.503 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.480 -2.773 -4.061 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.566 -6.321 -1.894 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.083 -3.889 -6.192 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.176 -7.435 -4.024 1.00 0.01 H new ATOM 0 HH TYR A 144 10.322 -7.262 -6.247 1.00 0.01 H new ATOM 2272 N ARG A 145 10.329 -1.047 0.320 1.00 0.02 N ATOM 2273 CA ARG A 145 10.509 -0.591 1.741 1.00 0.01 C ATOM 2274 C ARG A 145 10.208 0.907 1.851 1.00 0.01 C ATOM 2275 O ARG A 145 10.130 1.609 0.863 1.00 0.01 O ATOM 2276 CB ARG A 145 11.958 -0.838 2.179 1.00 0.01 C ATOM 2277 CG ARG A 145 12.203 -2.344 2.392 1.00 0.02 C ATOM 2278 CD ARG A 145 11.760 -2.768 3.800 1.00 0.01 C ATOM 2279 NE ARG A 145 12.441 -1.922 4.820 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.992 -1.888 6.043 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.948 -2.597 6.375 1.00 0.02 N ATOM 2282 NH2 ARG A 145 12.584 -1.142 6.934 1.00 0.01 N ATOM 0 H ARG A 145 10.850 -0.511 -0.374 1.00 0.02 H new ATOM 0 HA ARG A 145 9.825 -1.149 2.380 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.644 -0.454 1.424 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.164 -0.295 3.102 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.655 -2.917 1.644 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.260 -2.569 2.254 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.679 -2.670 3.896 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.000 -3.818 3.966 1.00 0.01 H new ATOM 0 HE ARG A 145 13.258 -1.370 4.561 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.483 -3.178 5.677 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.597 -2.570 7.332 1.00 0.02 H new ATOM 0 HH21 ARG A 145 13.398 -0.585 6.674 1.00 0.01 H new ATOM 0 HH22 ARG A 145 12.233 -1.115 7.891 1.00 0.01 H new ATOM 2296 N GLY A 146 10.029 1.402 3.050 1.00 0.01 N ATOM 2297 CA GLY A 146 9.734 2.854 3.234 1.00 0.02 C ATOM 2298 C GLY A 146 8.224 3.100 3.164 1.00 0.01 C ATOM 2299 O GLY A 146 7.428 2.187 3.244 1.00 0.02 O ATOM 0 H GLY A 146 10.075 0.859 3.913 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.121 3.192 4.195 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.241 3.436 2.464 1.00 0.02 H new ATOM 2303 N ARG A 147 7.832 4.335 3.012 1.00 0.01 N ATOM 2304 CA ARG A 147 6.379 4.659 2.934 1.00 0.01 C ATOM 2305 C ARG A 147 5.824 4.120 1.619 1.00 0.01 C ATOM 2306 O ARG A 147 6.476 4.140 0.593 1.00 0.01 O ATOM 2307 CB ARG A 147 6.194 6.179 2.985 1.00 0.01 C ATOM 2308 CG ARG A 147 4.722 6.526 2.737 1.00 0.01 C ATOM 2309 CD ARG A 147 4.446 7.960 3.188 1.00 0.01 C ATOM 2310 NE ARG A 147 3.046 8.328 2.836 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.486 9.368 3.390 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.150 10.080 4.260 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.260 9.691 3.077 1.00 0.02 N ATOM 0 H ARG A 147 8.458 5.137 2.938 1.00 0.01 H new ATOM 0 HA ARG A 147 5.850 4.204 3.772 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.510 6.562 3.956 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.822 6.657 2.234 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.486 6.416 1.679 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.079 5.834 3.281 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.598 8.050 4.264 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.145 8.645 2.708 1.00 0.01 H new ATOM 0 HE ARG A 147 2.525 7.767 2.162 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.106 9.823 4.506 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.713 10.893 4.694 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.742 9.131 2.400 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.821 10.504 3.509 1.00 0.02 H new ATOM 2327 N GLN A 148 4.622 3.603 1.666 1.00 0.01 N ATOM 2328 CA GLN A 148 3.987 3.007 0.454 1.00 0.01 C ATOM 2329 C GLN A 148 2.763 3.840 0.054 1.00 0.01 C ATOM 2330 O GLN A 148 2.089 4.411 0.889 1.00 0.01 O ATOM 2331 CB GLN A 148 3.537 1.584 0.821 1.00 0.00 C ATOM 2332 CG GLN A 148 4.563 0.948 1.762 1.00 0.02 C ATOM 2333 CD GLN A 148 4.281 -0.548 1.890 1.00 0.02 C ATOM 2334 OE1 GLN A 148 5.074 -1.283 2.441 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.174 -1.033 1.400 1.00 0.01 N ATOM 0 H GLN A 148 4.046 3.569 2.507 1.00 0.01 H new ATOM 0 HA GLN A 148 4.689 2.989 -0.380 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.558 1.613 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.433 0.981 -0.081 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.571 1.107 1.379 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.516 1.423 2.742 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.507 -0.415 0.937 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.975 -2.030 1.480 1.00 0.01 H new ATOM 2344 N TYR A 149 2.469 3.894 -1.220 1.00 0.01 N ATOM 2345 CA TYR A 149 1.280 4.665 -1.707 1.00 0.01 C ATOM 2346 C TYR A 149 0.370 3.725 -2.497 1.00 0.01 C ATOM 2347 O TYR A 149 0.840 2.958 -3.315 1.00 0.01 O ATOM 2348 CB TYR A 149 1.750 5.817 -2.603 1.00 0.01 C ATOM 2349 CG TYR A 149 2.974 6.457 -1.996 1.00 0.01 C ATOM 2350 CD1 TYR A 149 4.240 5.903 -2.229 1.00 0.01 C ATOM 2351 CD2 TYR A 149 2.846 7.599 -1.198 1.00 0.01 C ATOM 2352 CE1 TYR A 149 5.377 6.491 -1.667 1.00 0.01 C ATOM 2353 CE2 TYR A 149 3.984 8.188 -0.635 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.250 7.636 -0.869 1.00 0.01 C ATOM 2355 OH TYR A 149 6.373 8.217 -0.316 1.00 0.01 O ATOM 0 H TYR A 149 3.007 3.432 -1.953 1.00 0.01 H new ATOM 0 HA TYR A 149 0.730 5.077 -0.861 1.00 0.01 H new ATOM 0 HB2 TYR A 149 1.978 5.445 -3.602 1.00 0.01 H new ATOM 0 HB3 TYR A 149 0.956 6.556 -2.711 1.00 0.01 H new ATOM 0 HD1 TYR A 149 4.337 5.020 -2.844 1.00 0.01 H new ATOM 0 HD2 TYR A 149 1.870 8.025 -1.017 1.00 0.01 H new ATOM 0 HE1 TYR A 149 6.352 6.063 -1.848 1.00 0.01 H new ATOM 0 HE2 TYR A 149 3.886 9.070 -0.019 1.00 0.01 H new ATOM 0 HH TYR A 149 7.160 7.979 -0.849 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.919 3.754 -2.265 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.831 2.835 -3.014 1.00 0.01 C ATOM 2367 C LEU A 150 -2.414 3.580 -4.214 1.00 0.01 C ATOM 2368 O LEU A 150 -3.082 4.585 -4.073 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.955 2.390 -2.070 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.813 1.291 -2.735 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.153 -0.082 -2.553 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.200 1.262 -2.084 1.00 0.01 C ATOM 0 H LEU A 150 -1.377 4.370 -1.594 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.287 1.960 -3.371 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.530 2.015 -1.139 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.582 3.244 -1.813 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.901 1.512 -3.799 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.768 -0.847 -3.026 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.165 -0.075 -3.013 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -3.056 -0.301 -1.490 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.806 0.487 -2.553 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -5.098 1.049 -1.020 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.684 2.230 -2.216 1.00 0.01 H new ATOM 2384 N LEU A 151 -2.178 3.079 -5.398 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.723 3.733 -6.625 1.00 0.01 C ATOM 2386 C LEU A 151 -4.011 3.010 -7.038 1.00 0.01 C ATOM 2387 O LEU A 151 -4.103 1.800 -6.959 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.681 3.637 -7.751 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.673 4.784 -7.629 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -0.066 4.787 -6.224 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.436 4.600 -8.666 1.00 0.01 C ATOM 0 H LEU A 151 -1.627 2.238 -5.569 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.942 4.783 -6.430 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.163 2.679 -7.698 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.176 3.678 -8.721 1.00 0.01 H new ATOM 0 HG LEU A 151 -1.180 5.733 -7.804 1.00 0.01 H new ATOM 0 HD11 LEU A 151 0.651 5.604 -6.139 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.857 4.920 -5.486 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.441 3.839 -6.045 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.154 5.416 -8.580 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.943 3.651 -8.492 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.003 4.602 -9.666 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.002 3.743 -7.477 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.294 3.112 -7.893 1.00 0.01 C ATOM 2405 C ASP A 152 -6.394 3.104 -9.421 1.00 0.00 C ATOM 2406 O ASP A 152 -5.443 3.398 -10.118 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.457 3.922 -7.316 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.320 3.997 -5.794 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.744 3.084 -5.225 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -7.793 4.966 -5.224 1.00 2.27 O ATOM 0 H ASP A 152 -4.973 4.759 -7.566 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.335 2.088 -7.522 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.462 4.926 -7.741 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.406 3.458 -7.584 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.539 2.765 -9.948 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.700 2.731 -11.429 1.00 0.01 C ATOM 2417 C LYS A 153 -7.890 4.153 -11.965 1.00 0.01 C ATOM 2418 O LYS A 153 -8.709 4.392 -12.830 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.924 1.887 -11.786 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.119 2.347 -10.948 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.404 1.721 -11.496 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.614 2.324 -10.778 1.00 1.09 C ATOM 2423 NZ LYS A 153 -13.869 1.818 -11.404 1.00 1.84 N ATOM 0 H LYS A 153 -8.371 2.510 -9.416 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.808 2.295 -11.878 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.151 1.985 -12.848 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.719 0.833 -11.600 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.978 2.058 -9.906 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.194 3.434 -10.970 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.479 1.899 -12.569 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.384 0.641 -11.353 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.591 2.060 -9.721 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.579 3.412 -10.836 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -14.690 2.228 -10.916 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -13.891 2.091 -12.407 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -13.902 0.781 -11.326 1.00 1.84 H new ATOM 2437 N LYS A 154 -7.137 5.096 -11.457 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.260 6.513 -11.929 1.00 0.01 C ATOM 2439 C LYS A 154 -5.977 6.921 -12.653 1.00 0.01 C ATOM 2440 O LYS A 154 -5.000 6.200 -12.655 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.463 7.433 -10.722 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.834 7.167 -10.105 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.038 8.090 -8.902 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.271 7.641 -8.114 1.00 1.44 C ATOM 2445 NZ LYS A 154 -10.631 8.689 -7.117 1.00 2.28 N ATOM 0 H LYS A 154 -6.437 4.946 -10.730 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.109 6.597 -12.607 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.680 7.260 -9.984 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.387 8.476 -11.029 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.617 7.337 -10.844 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.909 6.125 -9.795 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.157 8.069 -8.261 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.163 9.119 -9.238 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -11.106 7.467 -8.793 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.069 6.697 -7.608 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -11.469 8.385 -6.581 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.835 8.834 -6.463 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -10.840 9.580 -7.610 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.974 8.081 -13.260 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.757 8.564 -13.984 1.00 0.01 C ATOM 2461 C GLU A 155 -4.083 9.641 -13.135 1.00 0.01 C ATOM 2462 O GLU A 155 -4.706 10.598 -12.720 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.165 9.154 -15.339 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.132 10.324 -15.125 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.862 10.636 -16.433 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -7.704 9.845 -16.821 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.568 11.664 -17.024 1.00 0.01 O ATOM 0 H GLU A 155 -6.769 8.720 -13.286 1.00 0.01 H new ATOM 0 HA GLU A 155 -4.068 7.736 -14.152 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.281 9.494 -15.879 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -5.638 8.387 -15.953 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -6.852 10.075 -14.346 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -5.585 11.203 -14.784 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.815 9.483 -12.852 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.099 10.485 -12.004 1.00 0.01 C ATOM 2476 C TYR A 156 -1.275 11.424 -12.882 1.00 0.01 C ATOM 2477 O TYR A 156 -0.321 11.014 -13.513 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.189 9.734 -11.029 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.919 8.520 -10.515 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -1.983 7.362 -11.297 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.539 8.554 -9.262 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.668 6.237 -10.826 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.222 7.429 -8.789 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.287 6.271 -9.572 1.00 0.01 C ATOM 2485 OH TYR A 156 -3.964 5.163 -9.109 1.00 0.01 O ATOM 0 H TYR A 156 -2.243 8.702 -13.172 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.820 11.085 -11.449 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.267 9.436 -11.528 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.907 10.383 -10.200 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.504 7.336 -12.264 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.490 9.449 -8.660 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -2.719 5.343 -11.430 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.699 7.454 -7.820 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.425 4.726 -9.855 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.651 12.675 -12.956 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.907 13.628 -13.829 1.00 0.01 C ATOM 2497 C ARG A 157 0.180 14.346 -13.037 1.00 0.00 C ATOM 2498 O ARG A 157 1.180 14.755 -13.594 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.887 14.664 -14.389 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.707 15.265 -13.243 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.606 16.382 -13.780 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.692 16.653 -12.798 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.402 17.744 -12.894 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -5.164 18.595 -13.855 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.351 17.985 -12.029 1.00 0.01 N ATOM 0 H ARG A 157 -2.440 13.076 -12.450 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.440 13.070 -14.641 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.342 15.450 -14.911 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.549 14.197 -15.118 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.314 14.491 -12.773 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -2.042 15.659 -12.475 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -3.021 17.285 -13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -4.032 16.092 -14.740 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.881 15.986 -12.050 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.423 18.407 -14.531 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -5.719 19.448 -13.930 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -6.537 17.320 -11.278 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -6.905 18.838 -12.105 1.00 0.01 H new ATOM 2519 N LYS A 158 0.014 14.494 -11.744 1.00 0.01 N ATOM 2520 CA LYS A 158 1.053 15.170 -10.905 1.00 0.01 C ATOM 2521 C LYS A 158 1.472 14.194 -9.795 1.00 0.01 C ATOM 2522 O LYS A 158 0.693 13.351 -9.403 1.00 0.01 O ATOM 2523 CB LYS A 158 0.439 16.430 -10.276 1.00 0.58 C ATOM 2524 CG LYS A 158 0.448 17.575 -11.293 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.505 18.681 -10.831 1.00 1.44 C ATOM 2526 CE LYS A 158 -0.233 19.958 -11.631 1.00 2.13 C ATOM 2527 NZ LYS A 158 1.119 20.480 -11.288 1.00 2.54 N ATOM 0 H LYS A 158 -0.806 14.172 -11.230 1.00 0.01 H new ATOM 0 HA LYS A 158 1.917 15.451 -11.507 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.582 16.226 -9.954 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.003 16.716 -9.388 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.457 17.972 -11.399 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.145 17.206 -12.273 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -1.539 18.366 -10.970 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.370 18.871 -9.766 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -0.294 19.751 -12.699 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.992 20.708 -11.408 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 1.141 21.509 -11.435 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.331 20.268 -10.292 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 1.831 20.028 -11.897 1.00 2.54 H new ATOM 2541 N PRO A 159 2.668 14.296 -9.268 1.00 0.01 N ATOM 2542 CA PRO A 159 3.082 13.369 -8.177 1.00 0.02 C ATOM 2543 C PRO A 159 2.169 13.520 -6.952 1.00 0.01 C ATOM 2544 O PRO A 159 1.808 12.547 -6.317 1.00 0.01 O ATOM 2545 CB PRO A 159 4.530 13.820 -7.890 1.00 0.41 C ATOM 2546 CG PRO A 159 4.772 15.149 -8.633 1.00 0.70 C ATOM 2547 CD PRO A 159 3.677 15.305 -9.698 1.00 0.28 C ATOM 0 HA PRO A 159 3.014 12.313 -8.440 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.683 13.949 -6.819 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.238 13.062 -8.224 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.746 15.986 -7.935 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.758 15.152 -9.097 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.263 16.313 -9.711 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.053 15.102 -10.701 1.00 0.28 H new ATOM 2555 N VAL A 160 1.803 14.714 -6.610 1.00 0.01 N ATOM 2556 CA VAL A 160 0.925 14.900 -5.423 1.00 0.02 C ATOM 2557 C VAL A 160 -0.402 14.172 -5.655 1.00 0.02 C ATOM 2558 O VAL A 160 -1.140 13.909 -4.729 1.00 0.02 O ATOM 2559 CB VAL A 160 0.663 16.393 -5.218 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.302 16.588 -4.050 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.985 17.102 -4.911 1.00 0.74 C ATOM 0 H VAL A 160 2.070 15.570 -7.096 1.00 0.01 H new ATOM 0 HA VAL A 160 1.412 14.492 -4.537 1.00 0.02 H new ATOM 0 HB VAL A 160 0.224 16.813 -6.123 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.488 17.652 -3.905 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.243 16.082 -4.267 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.135 16.169 -3.143 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.802 18.166 -4.764 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.422 16.681 -4.005 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.674 16.964 -5.744 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.724 13.858 -6.878 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.019 13.170 -7.145 1.00 0.01 C ATOM 2573 C ASP A 161 -2.063 11.757 -6.534 1.00 0.01 C ATOM 2574 O ASP A 161 -3.132 11.216 -6.335 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.232 13.061 -8.656 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.670 12.627 -8.939 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.384 12.359 -7.989 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -4.037 12.573 -10.100 1.00 0.00 O ATOM 0 H ASP A 161 -0.151 14.046 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.808 13.763 -6.682 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -2.030 14.020 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.533 12.341 -9.081 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.931 11.155 -6.207 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.975 9.780 -5.577 1.00 0.01 C ATOM 2585 C TRP A 162 -0.770 9.887 -4.060 1.00 0.01 C ATOM 2586 O TRP A 162 -0.548 8.903 -3.385 1.00 0.01 O ATOM 2587 CB TRP A 162 0.047 8.808 -6.200 1.00 0.01 C ATOM 2588 CG TRP A 162 1.391 9.429 -6.395 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.099 10.093 -5.455 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.220 9.408 -7.594 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.310 10.483 -6.006 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.428 10.087 -7.321 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.039 8.875 -8.883 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.424 10.230 -8.288 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.039 9.019 -9.861 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.229 9.696 -9.561 1.00 0.01 C ATOM 0 H TRP A 162 0.001 11.545 -6.345 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.962 9.364 -5.778 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.146 7.932 -5.559 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.330 8.459 -7.161 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.775 10.288 -4.443 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.028 11.001 -5.499 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.125 8.351 -9.123 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.340 10.751 -8.052 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.889 8.606 -10.848 1.00 0.01 H new ATOM 0 HH2 TRP A 162 4.994 9.804 -10.315 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.910 11.069 -3.511 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.801 11.238 -2.025 1.00 0.01 C ATOM 2609 C GLY A 163 0.644 11.432 -1.544 1.00 0.01 C ATOM 2610 O GLY A 163 0.909 11.396 -0.360 1.00 0.01 O ATOM 0 H GLY A 163 -1.096 11.928 -4.029 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.398 12.097 -1.719 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.226 10.363 -1.534 1.00 0.01 H new ATOM 2614 N ALA A 164 1.581 11.625 -2.434 1.00 0.01 N ATOM 2615 CA ALA A 164 3.008 11.808 -1.998 1.00 0.02 C ATOM 2616 C ALA A 164 3.379 13.290 -2.009 1.00 0.01 C ATOM 2617 O ALA A 164 2.996 14.038 -2.887 1.00 0.02 O ATOM 2618 CB ALA A 164 3.932 11.092 -2.981 1.00 0.01 C ATOM 0 H ALA A 164 1.427 11.665 -3.442 1.00 0.01 H new ATOM 0 HA ALA A 164 3.116 11.402 -0.992 1.00 0.02 H new ATOM 0 HB1 ALA A 164 4.968 11.223 -2.668 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.690 10.029 -3.000 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.799 11.512 -3.978 1.00 0.01 H new ATOM 2624 N ALA A 165 4.139 13.709 -1.035 1.00 0.02 N ATOM 2625 CA ALA A 165 4.569 15.134 -0.965 1.00 0.01 C ATOM 2626 C ALA A 165 5.808 15.340 -1.840 1.00 0.02 C ATOM 2627 O ALA A 165 6.250 16.454 -2.043 1.00 0.01 O ATOM 2628 CB ALA A 165 4.914 15.501 0.480 1.00 0.59 C ATOM 0 H ALA A 165 4.484 13.119 -0.278 1.00 0.02 H new ATOM 0 HA ALA A 165 3.756 15.768 -1.320 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.228 16.544 0.526 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.037 15.358 1.111 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.724 14.863 0.834 1.00 0.59 H new ATOM 2634 N SER A 166 6.369 14.281 -2.368 1.00 0.01 N ATOM 2635 CA SER A 166 7.579 14.417 -3.243 1.00 0.01 C ATOM 2636 C SER A 166 7.487 13.395 -4.394 1.00 0.02 C ATOM 2637 O SER A 166 6.908 12.340 -4.222 1.00 0.01 O ATOM 2638 CB SER A 166 8.831 14.132 -2.412 1.00 0.72 C ATOM 2639 OG SER A 166 9.052 12.728 -2.366 1.00 0.87 O ATOM 0 H SER A 166 6.042 13.325 -2.232 1.00 0.01 H new ATOM 0 HA SER A 166 7.631 15.426 -3.652 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.694 14.634 -2.849 1.00 0.72 H new ATOM 0 HB3 SER A 166 8.710 14.526 -1.403 1.00 0.72 H new ATOM 0 HG SER A 166 9.854 12.540 -1.836 1.00 0.87 H new ATOM 2645 N PRO A 167 8.057 13.672 -5.554 1.00 0.02 N ATOM 2646 CA PRO A 167 8.004 12.695 -6.682 1.00 0.01 C ATOM 2647 C PRO A 167 8.977 11.524 -6.477 1.00 0.01 C ATOM 2648 O PRO A 167 9.329 10.829 -7.415 1.00 0.01 O ATOM 2649 CB PRO A 167 8.455 13.562 -7.866 1.00 0.38 C ATOM 2650 CG PRO A 167 9.250 14.738 -7.290 1.00 0.35 C ATOM 2651 CD PRO A 167 8.779 14.950 -5.842 1.00 0.22 C ATOM 0 HA PRO A 167 7.025 12.231 -6.802 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.070 12.983 -8.555 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.594 13.920 -8.431 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.319 14.528 -7.318 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.086 15.638 -7.882 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.615 15.108 -5.161 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.125 15.817 -5.749 1.00 0.22 H new ATOM 2659 N ALA A 168 9.447 11.321 -5.274 1.00 0.01 N ATOM 2660 CA ALA A 168 10.427 10.220 -5.051 1.00 0.01 C ATOM 2661 C ALA A 168 9.718 8.873 -4.894 1.00 0.01 C ATOM 2662 O ALA A 168 8.909 8.664 -4.012 1.00 0.02 O ATOM 2663 CB ALA A 168 11.226 10.509 -3.778 1.00 0.18 C ATOM 0 H ALA A 168 9.198 11.863 -4.446 1.00 0.01 H new ATOM 0 HA ALA A 168 11.087 10.168 -5.917 1.00 0.01 H new ATOM 0 HB1 ALA A 168 11.945 9.707 -3.610 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.757 11.455 -3.888 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.546 10.572 -2.928 1.00 0.18 H new ATOM 2669 N ILE A 169 10.070 7.959 -5.756 1.00 0.01 N ATOM 2670 CA ILE A 169 9.503 6.580 -5.728 1.00 0.01 C ATOM 2671 C ILE A 169 10.576 5.658 -6.304 1.00 0.01 C ATOM 2672 O ILE A 169 11.091 5.898 -7.378 1.00 0.01 O ATOM 2673 CB ILE A 169 8.220 6.528 -6.586 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.047 7.252 -5.853 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.842 5.060 -6.861 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.887 8.691 -6.370 1.00 3.99 C ATOM 0 H ILE A 169 10.748 8.116 -6.501 1.00 0.01 H new ATOM 0 HA ILE A 169 9.235 6.274 -4.717 1.00 0.01 H new ATOM 0 HB ILE A 169 8.405 7.037 -7.532 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.120 6.700 -6.007 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.236 7.265 -4.780 1.00 2.75 H new ATOM 0 HG21 ILE A 169 6.936 5.025 -7.467 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.655 4.569 -7.395 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.667 4.546 -5.916 1.00 2.24 H new ATOM 0 HD11 ILE A 169 6.064 9.177 -5.846 1.00 3.99 H new ATOM 0 HD12 ILE A 169 7.808 9.246 -6.193 1.00 3.99 H new ATOM 0 HD13 ILE A 169 6.675 8.672 -7.439 1.00 3.99 H new ATOM 2688 N GLN A 170 10.958 4.633 -5.577 1.00 0.01 N ATOM 2689 CA GLN A 170 12.049 3.724 -6.056 1.00 0.01 C ATOM 2690 C GLN A 170 11.537 2.329 -6.428 1.00 0.02 C ATOM 2691 O GLN A 170 12.261 1.580 -7.053 1.00 0.01 O ATOM 2692 CB GLN A 170 13.103 3.592 -4.954 1.00 2.62 C ATOM 2693 CG GLN A 170 13.879 4.907 -4.830 1.00 3.39 C ATOM 2694 CD GLN A 170 14.800 5.072 -6.038 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.881 4.197 -6.879 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.501 6.163 -6.165 1.00 5.17 N ATOM 0 H GLN A 170 10.560 4.387 -4.671 1.00 0.01 H new ATOM 0 HA GLN A 170 12.472 4.166 -6.958 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.624 3.349 -4.005 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.786 2.775 -5.185 1.00 2.62 H new ATOM 0 HG2 GLN A 170 13.186 5.746 -4.771 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.464 4.911 -3.910 1.00 3.39 H new ATOM 0 HE21 GLN A 170 15.434 6.897 -5.460 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.117 6.283 -6.969 1.00 5.17 H new ATOM 2705 N SER A 171 10.338 1.927 -6.086 1.00 0.01 N ATOM 2706 CA SER A 171 9.918 0.546 -6.488 1.00 0.01 C ATOM 2707 C SER A 171 8.392 0.463 -6.550 1.00 0.01 C ATOM 2708 O SER A 171 7.688 1.236 -5.930 1.00 0.01 O ATOM 2709 CB SER A 171 10.449 -0.460 -5.467 1.00 0.01 C ATOM 2710 OG SER A 171 10.044 -1.767 -5.845 1.00 0.02 O ATOM 0 H SER A 171 9.652 2.472 -5.564 1.00 0.01 H new ATOM 0 HA SER A 171 10.325 0.316 -7.473 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.536 -0.404 -5.415 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.070 -0.222 -4.473 1.00 0.01 H new ATOM 0 HG SER A 171 9.981 -2.333 -5.048 1.00 0.02 H new ATOM 2716 N PHE A 172 7.874 -0.491 -7.281 1.00 0.01 N ATOM 2717 CA PHE A 172 6.387 -0.642 -7.370 1.00 0.01 C ATOM 2718 C PHE A 172 6.027 -2.105 -7.632 1.00 0.01 C ATOM 2719 O PHE A 172 6.807 -2.860 -8.181 1.00 0.01 O ATOM 2720 CB PHE A 172 5.822 0.250 -8.482 1.00 1.06 C ATOM 2721 CG PHE A 172 6.407 -0.131 -9.823 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.922 -1.255 -10.505 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.420 0.648 -10.392 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.453 -1.597 -11.752 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.949 0.307 -11.641 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.465 -0.817 -12.321 1.00 1.92 C ATOM 0 H PHE A 172 8.413 -1.170 -7.819 1.00 0.01 H new ATOM 0 HA PHE A 172 5.946 -0.332 -6.423 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.736 0.156 -8.514 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.046 1.295 -8.266 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.139 -1.856 -10.068 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.794 1.514 -9.866 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.081 -2.465 -12.277 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.730 0.910 -12.080 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.873 -1.082 -13.285 1.00 1.92 H new ATOM 2736 N ARG A 173 4.856 -2.517 -7.216 1.00 0.01 N ATOM 2737 CA ARG A 173 4.442 -3.941 -7.411 1.00 0.01 C ATOM 2738 C ARG A 173 2.950 -4.014 -7.737 1.00 0.01 C ATOM 2739 O ARG A 173 2.150 -3.222 -7.269 1.00 0.01 O ATOM 2740 CB ARG A 173 4.670 -4.723 -6.112 1.00 0.01 C ATOM 2741 CG ARG A 173 6.163 -4.914 -5.843 1.00 0.01 C ATOM 2742 CD ARG A 173 6.342 -6.003 -4.779 1.00 0.01 C ATOM 2743 NE ARG A 173 5.213 -5.942 -3.809 1.00 0.01 N ATOM 2744 CZ ARG A 173 4.983 -6.950 -3.013 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.747 -8.006 -3.064 1.00 0.01 N ATOM 2746 NH2 ARG A 173 3.989 -6.902 -2.168 1.00 0.01 N ATOM 0 H ARG A 173 4.167 -1.928 -6.749 1.00 0.01 H new ATOM 0 HA ARG A 173 5.029 -4.362 -8.227 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.212 -4.192 -5.278 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.181 -5.695 -6.178 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.678 -5.196 -6.761 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.607 -3.978 -5.503 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.377 -6.985 -5.251 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.290 -5.865 -4.259 1.00 0.01 H new ATOM 0 HE ARG A 173 4.620 -5.113 -3.767 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.523 -8.043 -3.725 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.569 -8.795 -2.443 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.392 -6.076 -2.130 1.00 0.01 H new ATOM 0 HH22 ARG A 173 3.810 -7.690 -1.546 1.00 0.01 H new ATOM 2760 N ARG A 174 2.572 -4.996 -8.515 1.00 0.01 N ATOM 2761 CA ARG A 174 1.138 -5.178 -8.860 1.00 0.01 C ATOM 2762 C ARG A 174 0.492 -6.007 -7.754 1.00 0.01 C ATOM 2763 O ARG A 174 1.092 -6.922 -7.226 1.00 0.01 O ATOM 2764 CB ARG A 174 1.006 -5.931 -10.189 1.00 0.01 C ATOM 2765 CG ARG A 174 1.695 -7.298 -10.082 1.00 0.01 C ATOM 2766 CD ARG A 174 2.014 -7.827 -11.484 1.00 0.01 C ATOM 2767 NE ARG A 174 2.403 -9.262 -11.397 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.442 -9.993 -12.476 1.00 0.01 C ATOM 2769 NH1 ARG A 174 2.144 -9.467 -13.634 1.00 0.01 N ATOM 2770 NH2 ARG A 174 2.778 -11.252 -12.400 1.00 0.01 N ATOM 0 H ARG A 174 3.204 -5.683 -8.927 1.00 0.01 H new ATOM 0 HA ARG A 174 0.653 -4.207 -8.956 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.046 -6.063 -10.440 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.455 -5.349 -10.994 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.612 -7.209 -9.499 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.049 -8.001 -9.556 1.00 0.01 H new ATOM 0 HD2 ARG A 174 1.146 -7.713 -12.133 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.823 -7.246 -11.928 1.00 0.01 H new ATOM 0 HE ARG A 174 2.639 -9.673 -10.494 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.880 -8.483 -13.695 1.00 0.01 H new ATOM 0 HH12 ARG A 174 2.175 -10.040 -14.477 1.00 0.01 H new ATOM 0 HH21 ARG A 174 3.010 -11.664 -11.496 1.00 0.01 H new ATOM 0 HH22 ARG A 174 2.808 -11.824 -13.244 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.723 -5.703 -7.397 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.401 -6.484 -6.321 1.00 0.01 C ATOM 2786 C ILE A 175 -2.255 -7.585 -6.953 1.00 0.00 C ATOM 2787 O ILE A 175 -3.058 -7.330 -7.830 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.292 -5.561 -5.487 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.544 -4.250 -5.208 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.631 -6.238 -4.156 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.396 -3.321 -4.329 1.00 3.04 C ATOM 0 H ILE A 175 -1.278 -4.949 -7.802 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.647 -6.931 -5.674 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.211 -5.354 -6.035 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.597 -4.463 -4.711 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.306 -3.753 -6.148 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.266 -5.579 -3.564 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.157 -7.173 -4.347 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.712 -6.445 -3.608 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.850 -2.396 -4.141 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.331 -3.093 -4.840 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.612 -3.814 -3.381 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.085 -8.810 -6.519 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.881 -9.942 -7.093 1.00 0.00 C ATOM 2805 C VAL A 176 -3.348 -10.869 -5.971 1.00 0.01 C ATOM 2806 O VAL A 176 -2.681 -11.035 -4.969 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.006 -10.747 -8.056 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.527 -9.836 -9.191 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.796 -11.303 -7.300 1.00 1.89 C ATOM 0 H VAL A 176 -1.426 -9.077 -5.788 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.743 -9.534 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.584 -11.572 -8.472 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.903 -10.408 -9.878 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.389 -9.440 -9.728 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.947 -9.011 -8.776 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.171 -11.877 -7.985 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.216 -10.479 -6.885 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.138 -11.950 -6.492 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.486 -11.482 -6.137 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.002 -12.410 -5.090 1.00 0.01 C ATOM 2821 C GLU A 177 -4.135 -13.669 -5.054 1.00 0.01 C ATOM 2822 O GLU A 177 -3.255 -13.851 -5.873 1.00 0.01 O ATOM 2823 CB GLU A 177 -6.446 -12.795 -5.415 1.00 2.15 C ATOM 2824 CG GLU A 177 -7.066 -13.531 -4.224 1.00 3.19 C ATOM 2825 CD GLU A 177 -8.569 -13.698 -4.453 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -8.952 -13.952 -5.583 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -9.311 -13.573 -3.492 1.00 4.89 O ATOM 0 H GLU A 177 -5.085 -11.380 -6.957 1.00 0.01 H new ATOM 0 HA GLU A 177 -4.968 -11.916 -4.119 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -7.027 -11.902 -5.645 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.472 -13.430 -6.301 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -6.596 -14.507 -4.101 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -6.887 -12.973 -3.305 1.00 3.19 H new TER 2834 GLU A 177