USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1009 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 135 GLN : amide:sc= 0.655 K(o=1.8,f=-8.2!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -159:sc= 1.17 (180deg=-0.0307) USER MOD Set 2.1: A 112 CYS SG : rot 151:sc= -0.203 USER MOD Set 2.2: A 116 ASN : amide:sc= -1.17 K(o=-1.4,f=-0.74) USER MOD Set 3.1: A 113 TYR OH : rot 180:sc= 0.212 USER MOD Set 3.2: A 127 GLN : amide:sc= 0.314 X(o=0.53,f=0.4) USER MOD Set 4.1: A 38 GLN : amide:sc= 2.29 K(o=3.5,f=1.4) USER MOD Set 4.2: A 99 SER OG : rot 55:sc= 1.22 USER MOD Set 5.1: A 95 TYR OH : rot -170:sc= 1.83 USER MOD Set 5.2: A 101 CYS SG : rot 45:sc= -1.93! USER MOD Set 6.1: A 73 TYR OH : rot 180:sc= -0.815! USER MOD Set 6.2: A 111 ASN : amide:sc= 0.378 X(o=-0.44,f=-0.89) USER MOD Set 7.1: A 61 GLN : amide:sc= 0.935 K(o=1.4,f=-9.1!) USER MOD Set 7.2: A 67 LYS NZ :NH3+ -161:sc= 0.51 (180deg=-0.135) USER MOD Set 8.1: A 40 GLN : amide:sc= 1.21 K(o=0.79,f=-1.5) USER MOD Set 8.2: A 43 GLN : amide:sc= -1.05! C(o=0.79!,f=-2.2!) USER MOD Set 8.3: A 44 ASN : amide:sc= 0.635 K(o=0.79,f=0.16) USER MOD Set 9.1: A 42 MET CE :methyl -122:sc= -0.925 (180deg=-4.59!) USER MOD Set 9.2: A 102 MET CE :methyl -132:sc= -0.588 (180deg=-0.00999) USER MOD Set 9.3: A 140 MET CE :methyl -151:sc= -1.75 (180deg=-3.18!) USER MOD Set10.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0548 USER MOD Single : A 28 ASN : amide:sc= -0.757 K(o=-0.76,f=-6.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 169:sc= 1.69 USER MOD Single : A 37 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 41 TYR OH : rot 83:sc= 0.273 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 116:sc= 1.28 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.1 K(o=-3.1,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.49) USER MOD Single : A 60 TYR OH : rot -9:sc= 1.21 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 74 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 145:sc= 1.12 (180deg=0.847) USER MOD Single : A 79 ASN : amide:sc= 0.341 K(o=0.34,f=-1.8!) USER MOD Single : A 81 MET CE :methyl -123:sc= -0.371 (180deg=-0.529) USER MOD Single : A 83 MET CE :methyl -138:sc= -0.157 (180deg=-2.76!) USER MOD Single : A 85 THR OG1 : rot -150:sc= 0.962 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=4.73e-05 X(o=4.7e-05,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.22) USER MOD Single : A 97 SER OG : rot 165:sc= 1.84 USER MOD Single : A 103 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 107 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 59:sc= 0.114 USER MOD Single : A 115 TYR OH : rot -140:sc=-0.00455 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc=-0.00511 X(o=-0.0051,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 26 6.231 -13.246 2.383 1.00 0.93 N ATOM 69 CA VAL A 26 6.751 -11.943 2.752 1.00 0.84 C ATOM 70 C VAL A 26 8.260 -12.058 2.941 1.00 0.83 C ATOM 71 O VAL A 26 8.957 -11.088 3.240 1.00 0.85 O ATOM 72 CB VAL A 26 6.066 -11.402 4.030 1.00 0.83 C ATOM 73 CG1 VAL A 26 6.658 -12.024 5.288 1.00 0.93 C ATOM 74 CG2 VAL A 26 6.147 -9.883 4.082 1.00 0.83 C ATOM 0 HA VAL A 26 6.536 -11.229 1.957 1.00 0.84 H new ATOM 0 HB VAL A 26 5.015 -11.687 3.989 1.00 0.83 H new ATOM 0 HG11 VAL A 26 6.153 -11.621 6.166 1.00 0.93 H new ATOM 0 HG12 VAL A 26 6.524 -13.105 5.257 1.00 0.93 H new ATOM 0 HG13 VAL A 26 7.722 -11.792 5.343 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.660 -9.523 4.988 1.00 0.83 H new ATOM 0 HG22 VAL A 26 7.192 -9.574 4.085 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.647 -9.462 3.210 1.00 0.83 H new ATOM 84 N SER A 27 8.739 -13.281 2.754 1.00 0.91 N ATOM 85 CA SER A 27 10.147 -13.605 2.815 1.00 1.00 C ATOM 86 C SER A 27 10.409 -14.763 1.866 1.00 1.07 C ATOM 87 O SER A 27 9.583 -15.667 1.744 1.00 1.19 O ATOM 88 CB SER A 27 10.551 -13.997 4.236 1.00 1.15 C ATOM 89 OG SER A 27 9.826 -13.253 5.200 1.00 1.61 O ATOM 0 H SER A 27 8.145 -14.085 2.553 1.00 0.91 H new ATOM 0 HA SER A 27 10.736 -12.734 2.526 1.00 1.00 H new ATOM 0 HB2 SER A 27 10.374 -15.062 4.386 1.00 1.15 H new ATOM 0 HB3 SER A 27 11.619 -13.830 4.372 1.00 1.15 H new ATOM 0 HG SER A 27 10.103 -13.525 6.100 1.00 1.61 H new ATOM 95 N ASN A 28 11.530 -14.731 1.180 1.00 1.07 N ATOM 96 CA ASN A 28 11.850 -15.770 0.215 1.00 1.18 C ATOM 97 C ASN A 28 13.350 -16.045 0.201 1.00 1.23 C ATOM 98 O ASN A 28 14.152 -15.118 0.249 1.00 1.12 O ATOM 99 CB ASN A 28 11.363 -15.363 -1.178 1.00 1.19 C ATOM 100 CG ASN A 28 11.453 -16.496 -2.184 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.509 -16.744 -2.767 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.344 -17.183 -2.403 1.00 1.48 N ATOM 0 H ASN A 28 12.236 -14.001 1.269 1.00 1.07 H new ATOM 0 HA ASN A 28 11.340 -16.687 0.508 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.330 -15.022 -1.112 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.955 -14.519 -1.533 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.344 -17.950 -3.076 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.489 -16.946 -1.899 1.00 1.48 H new ATOM 109 N PRO A 29 13.741 -17.326 0.163 1.00 1.46 N ATOM 110 CA PRO A 29 15.156 -17.734 0.148 1.00 1.60 C ATOM 111 C PRO A 29 15.886 -17.307 -1.125 1.00 1.54 C ATOM 112 O PRO A 29 16.978 -16.742 -1.067 1.00 1.54 O ATOM 113 CB PRO A 29 15.078 -19.262 0.216 1.00 1.87 C ATOM 114 CG PRO A 29 13.735 -19.589 -0.330 1.00 1.86 C ATOM 115 CD PRO A 29 12.839 -18.492 0.153 1.00 1.65 C ATOM 0 HA PRO A 29 15.715 -17.272 0.962 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.870 -19.727 -0.372 1.00 1.87 H new ATOM 0 HB3 PRO A 29 15.189 -19.620 1.239 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.752 -19.633 -1.419 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.392 -20.562 0.023 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.988 -18.341 -0.511 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.437 -18.703 1.144 1.00 1.65 H new ATOM 123 N SER A 30 15.271 -17.577 -2.268 1.00 1.57 N ATOM 124 CA SER A 30 15.875 -17.306 -3.559 1.00 1.63 C ATOM 125 C SER A 30 15.827 -15.817 -3.879 1.00 1.47 C ATOM 126 O SER A 30 16.570 -15.323 -4.731 1.00 1.58 O ATOM 127 CB SER A 30 15.128 -18.102 -4.621 1.00 1.81 C ATOM 128 OG SER A 30 14.919 -19.438 -4.191 1.00 2.18 O ATOM 0 H SER A 30 14.340 -17.990 -2.323 1.00 1.57 H new ATOM 0 HA SER A 30 16.923 -17.605 -3.539 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.169 -17.628 -4.831 1.00 1.81 H new ATOM 0 HB3 SER A 30 15.696 -18.099 -5.552 1.00 1.81 H new ATOM 0 HG SER A 30 14.436 -19.933 -4.885 1.00 2.18 H new ATOM 134 N LYS A 31 14.942 -15.113 -3.190 1.00 1.28 N ATOM 135 CA LYS A 31 14.799 -13.672 -3.357 1.00 1.14 C ATOM 136 C LYS A 31 15.472 -12.929 -2.207 1.00 1.01 C ATOM 137 O LYS A 31 14.908 -12.827 -1.118 1.00 1.03 O ATOM 138 CB LYS A 31 13.318 -13.294 -3.405 1.00 1.14 C ATOM 139 CG LYS A 31 12.904 -12.541 -4.655 1.00 1.18 C ATOM 140 CD LYS A 31 11.640 -11.726 -4.419 1.00 1.26 C ATOM 141 CE LYS A 31 10.579 -12.519 -3.668 1.00 1.93 C ATOM 142 NZ LYS A 31 9.885 -13.511 -4.531 1.00 2.75 N ATOM 0 H LYS A 31 14.306 -15.519 -2.504 1.00 1.28 H new ATOM 0 HA LYS A 31 15.279 -13.387 -4.293 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.721 -14.203 -3.328 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.083 -12.684 -2.533 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.712 -11.880 -4.968 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.737 -13.247 -5.468 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.889 -10.828 -3.854 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.236 -11.398 -5.377 1.00 1.26 H new ATOM 0 HE2 LYS A 31 11.044 -13.036 -2.829 1.00 1.93 H new ATOM 0 HE3 LYS A 31 9.845 -11.830 -3.250 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 9.174 -14.022 -3.970 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 9.416 -13.019 -5.318 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 10.579 -14.187 -4.910 1.00 2.75 H new ATOM 156 N PRO A 32 16.688 -12.402 -2.423 1.00 0.99 N ATOM 157 CA PRO A 32 17.401 -11.649 -1.395 1.00 0.97 C ATOM 158 C PRO A 32 16.695 -10.341 -1.069 1.00 0.85 C ATOM 159 O PRO A 32 16.005 -9.769 -1.912 1.00 0.89 O ATOM 160 CB PRO A 32 18.777 -11.372 -2.012 1.00 1.14 C ATOM 161 CG PRO A 32 18.869 -12.252 -3.213 1.00 1.38 C ATOM 162 CD PRO A 32 17.457 -12.488 -3.671 1.00 1.13 C ATOM 0 HA PRO A 32 17.459 -12.201 -0.457 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.878 -10.322 -2.288 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.575 -11.593 -1.303 1.00 1.14 H new ATOM 0 HG2 PRO A 32 19.459 -11.778 -3.998 1.00 1.38 H new ATOM 0 HG3 PRO A 32 19.361 -13.193 -2.969 1.00 1.38 H new ATOM 0 HD2 PRO A 32 17.137 -11.739 -4.395 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.345 -13.461 -4.148 1.00 1.13 H new ATOM 170 N GLY A 33 16.882 -9.873 0.147 1.00 0.83 N ATOM 171 CA GLY A 33 16.226 -8.666 0.593 1.00 0.79 C ATOM 172 C GLY A 33 17.173 -7.763 1.348 1.00 0.76 C ATOM 173 O GLY A 33 17.308 -7.869 2.568 1.00 0.97 O ATOM 0 H GLY A 33 17.484 -10.312 0.844 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.822 -8.132 -0.267 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.382 -8.925 1.233 1.00 0.79 H new ATOM 177 N ARG A 34 17.855 -6.894 0.621 1.00 0.81 N ATOM 178 CA ARG A 34 18.777 -5.951 1.232 1.00 0.79 C ATOM 179 C ARG A 34 18.052 -4.654 1.543 1.00 0.79 C ATOM 180 O ARG A 34 17.120 -4.274 0.840 1.00 0.97 O ATOM 181 CB ARG A 34 19.966 -5.679 0.311 1.00 0.82 C ATOM 182 CG ARG A 34 20.719 -6.936 -0.099 1.00 1.24 C ATOM 183 CD ARG A 34 22.223 -6.735 -0.030 1.00 1.04 C ATOM 184 NE ARG A 34 22.713 -5.837 -1.077 1.00 0.98 N ATOM 185 CZ ARG A 34 23.892 -5.974 -1.686 1.00 1.43 C ATOM 186 NH1 ARG A 34 24.669 -7.013 -1.407 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.287 -5.074 -2.579 1.00 1.56 N ATOM 0 H ARG A 34 17.788 -6.822 -0.394 1.00 0.81 H new ATOM 0 HA ARG A 34 19.155 -6.385 2.158 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.612 -5.169 -0.585 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.655 -5.000 0.813 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.432 -7.762 0.552 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.435 -7.216 -1.113 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.489 -6.330 0.946 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.721 -7.700 -0.121 1.00 1.04 H new ATOM 0 HE ARG A 34 22.116 -5.059 -1.358 1.00 0.98 H new ATOM 0 HH11 ARG A 34 24.365 -7.709 -0.726 1.00 1.93 H new ATOM 0 HH12 ARG A 34 25.570 -7.116 -1.874 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.689 -4.278 -2.799 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.189 -5.179 -3.044 1.00 1.56 H new ATOM 201 N LYS A 35 18.479 -3.981 2.594 1.00 0.80 N ATOM 202 CA LYS A 35 17.841 -2.749 3.014 1.00 0.82 C ATOM 203 C LYS A 35 18.512 -1.561 2.349 1.00 0.77 C ATOM 204 O LYS A 35 19.713 -1.352 2.505 1.00 0.93 O ATOM 205 CB LYS A 35 17.916 -2.606 4.534 1.00 0.87 C ATOM 206 CG LYS A 35 16.618 -2.139 5.169 1.00 1.42 C ATOM 207 CD LYS A 35 16.362 -2.840 6.494 1.00 1.71 C ATOM 208 CE LYS A 35 17.359 -2.408 7.556 1.00 1.85 C ATOM 209 NZ LYS A 35 18.156 -3.553 8.063 1.00 2.64 N ATOM 0 H LYS A 35 19.267 -4.268 3.174 1.00 0.80 H new ATOM 0 HA LYS A 35 16.793 -2.779 2.714 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.197 -3.566 4.967 1.00 0.87 H new ATOM 0 HB3 LYS A 35 18.707 -1.900 4.785 1.00 0.87 H new ATOM 0 HG2 LYS A 35 16.657 -1.061 5.328 1.00 1.42 H new ATOM 0 HG3 LYS A 35 15.789 -2.331 4.488 1.00 1.42 H new ATOM 0 HD2 LYS A 35 15.350 -2.620 6.833 1.00 1.71 H new ATOM 0 HD3 LYS A 35 16.424 -3.919 6.353 1.00 1.71 H new ATOM 0 HE2 LYS A 35 18.029 -1.655 7.141 1.00 1.85 H new ATOM 0 HE3 LYS A 35 16.827 -1.940 8.385 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 18.825 -3.218 8.786 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 17.519 -4.261 8.482 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 18.683 -3.984 7.277 1.00 2.64 H new ATOM 223 N THR A 36 17.745 -0.797 1.593 1.00 0.59 N ATOM 224 CA THR A 36 18.279 0.387 0.951 1.00 0.54 C ATOM 225 C THR A 36 17.687 1.645 1.565 1.00 0.46 C ATOM 226 O THR A 36 16.640 1.598 2.219 1.00 0.46 O ATOM 227 CB THR A 36 18.033 0.391 -0.575 1.00 0.56 C ATOM 228 OG1 THR A 36 16.793 1.048 -0.883 1.00 0.54 O ATOM 229 CG2 THR A 36 18.010 -1.024 -1.139 1.00 0.68 C ATOM 0 H THR A 36 16.757 -0.974 1.410 1.00 0.59 H new ATOM 0 HA THR A 36 19.356 0.372 1.116 1.00 0.54 H new ATOM 0 HB THR A 36 18.857 0.935 -1.037 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.737 1.205 -1.849 1.00 0.54 H new ATOM 0 HG21 THR A 36 17.835 -0.984 -2.214 1.00 0.68 H new ATOM 0 HG22 THR A 36 18.967 -1.509 -0.945 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.212 -1.593 -0.662 1.00 0.68 H new ATOM 237 N ASN A 37 18.367 2.766 1.358 1.00 0.42 N ATOM 238 CA ASN A 37 17.906 4.053 1.852 1.00 0.40 C ATOM 239 C ASN A 37 16.553 4.391 1.247 1.00 0.33 C ATOM 240 O ASN A 37 15.690 4.929 1.921 1.00 0.33 O ATOM 241 CB ASN A 37 18.925 5.146 1.517 1.00 0.48 C ATOM 242 CG ASN A 37 18.364 6.550 1.665 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.827 6.914 2.709 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.496 7.355 0.620 1.00 0.78 N ATOM 0 H ASN A 37 19.248 2.807 0.846 1.00 0.42 H new ATOM 0 HA ASN A 37 17.801 3.996 2.935 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.792 5.037 2.168 1.00 0.48 H new ATOM 0 HB3 ASN A 37 19.275 5.007 0.494 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.146 8.312 0.666 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.948 7.017 -0.230 1.00 0.78 H new ATOM 251 N GLN A 38 16.373 4.045 -0.024 1.00 0.33 N ATOM 252 CA GLN A 38 15.114 4.289 -0.715 1.00 0.31 C ATOM 253 C GLN A 38 13.989 3.479 -0.075 1.00 0.26 C ATOM 254 O GLN A 38 12.882 3.986 0.126 1.00 0.25 O ATOM 255 CB GLN A 38 15.246 3.925 -2.191 1.00 0.36 C ATOM 256 CG GLN A 38 14.236 4.613 -3.090 1.00 0.46 C ATOM 257 CD GLN A 38 14.375 4.178 -4.534 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.735 3.223 -4.968 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.213 4.879 -5.284 1.00 0.55 N ATOM 0 H GLN A 38 17.086 3.594 -0.597 1.00 0.33 H new ATOM 0 HA GLN A 38 14.872 5.349 -0.632 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.250 4.180 -2.529 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.138 2.846 -2.299 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.228 4.391 -2.740 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.366 5.693 -3.022 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.723 5.665 -4.881 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.348 4.633 -6.265 1.00 0.55 H new ATOM 268 N LEU A 39 14.283 2.224 0.256 1.00 0.28 N ATOM 269 CA LEU A 39 13.304 1.352 0.893 1.00 0.31 C ATOM 270 C LEU A 39 12.908 1.900 2.258 1.00 0.29 C ATOM 271 O LEU A 39 11.724 2.079 2.544 1.00 0.30 O ATOM 272 CB LEU A 39 13.858 -0.068 1.039 1.00 0.38 C ATOM 273 CG LEU A 39 12.997 -1.019 1.876 1.00 0.45 C ATOM 274 CD1 LEU A 39 12.456 -2.150 1.017 1.00 0.63 C ATOM 275 CD2 LEU A 39 13.797 -1.575 3.044 1.00 0.80 C ATOM 0 H LEU A 39 15.191 1.790 0.093 1.00 0.28 H new ATOM 0 HA LEU A 39 12.419 1.317 0.258 1.00 0.31 H new ATOM 0 HB2 LEU A 39 13.983 -0.496 0.045 1.00 0.38 H new ATOM 0 HB3 LEU A 39 14.849 -0.010 1.488 1.00 0.38 H new ATOM 0 HG LEU A 39 12.153 -0.455 2.272 1.00 0.45 H new ATOM 0 HD11 LEU A 39 11.847 -2.814 1.631 1.00 0.63 H new ATOM 0 HD12 LEU A 39 11.846 -1.737 0.214 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.287 -2.711 0.589 1.00 0.63 H new ATOM 0 HD21 LEU A 39 13.169 -2.248 3.627 1.00 0.80 H new ATOM 0 HD22 LEU A 39 14.661 -2.121 2.666 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.135 -0.754 3.677 1.00 0.80 H new ATOM 287 N GLN A 40 13.909 2.188 3.084 1.00 0.29 N ATOM 288 CA GLN A 40 13.676 2.711 4.427 1.00 0.30 C ATOM 289 C GLN A 40 13.088 4.115 4.366 1.00 0.26 C ATOM 290 O GLN A 40 12.442 4.581 5.309 1.00 0.28 O ATOM 291 CB GLN A 40 14.976 2.724 5.228 1.00 0.36 C ATOM 292 CG GLN A 40 15.456 1.338 5.620 1.00 0.42 C ATOM 293 CD GLN A 40 15.677 1.196 7.112 1.00 0.72 C ATOM 294 OE1 GLN A 40 16.804 1.020 7.571 1.00 1.75 O ATOM 295 NE2 GLN A 40 14.605 1.270 7.882 1.00 0.83 N ATOM 0 H GLN A 40 14.893 2.068 2.846 1.00 0.29 H new ATOM 0 HA GLN A 40 12.961 2.057 4.925 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.751 3.216 4.641 1.00 0.36 H new ATOM 0 HB3 GLN A 40 14.833 3.319 6.130 1.00 0.36 H new ATOM 0 HG2 GLN A 40 14.725 0.599 5.293 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.387 1.119 5.097 1.00 0.42 H new ATOM 0 HE21 GLN A 40 13.686 1.417 7.464 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.697 1.180 8.894 1.00 0.83 H new ATOM 304 N TYR A 41 13.324 4.783 3.251 1.00 0.25 N ATOM 305 CA TYR A 41 12.780 6.096 3.002 1.00 0.24 C ATOM 306 C TYR A 41 11.265 6.044 2.918 1.00 0.22 C ATOM 307 O TYR A 41 10.576 6.666 3.715 1.00 0.23 O ATOM 308 CB TYR A 41 13.366 6.640 1.699 1.00 0.24 C ATOM 309 CG TYR A 41 12.963 8.047 1.365 1.00 0.31 C ATOM 310 CD1 TYR A 41 13.709 9.122 1.815 1.00 0.42 C ATOM 311 CD2 TYR A 41 11.843 8.297 0.589 1.00 0.32 C ATOM 312 CE1 TYR A 41 13.347 10.415 1.505 1.00 0.52 C ATOM 313 CE2 TYR A 41 11.471 9.582 0.273 1.00 0.44 C ATOM 314 CZ TYR A 41 12.224 10.641 0.735 1.00 0.53 C ATOM 315 OH TYR A 41 11.855 11.927 0.430 1.00 0.64 O ATOM 0 H TYR A 41 13.902 4.423 2.492 1.00 0.25 H new ATOM 0 HA TYR A 41 13.047 6.756 3.827 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.453 6.593 1.759 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.064 5.987 0.881 1.00 0.24 H new ATOM 0 HD1 TYR A 41 14.588 8.945 2.418 1.00 0.42 H new ATOM 0 HD2 TYR A 41 11.252 7.469 0.226 1.00 0.32 H new ATOM 0 HE1 TYR A 41 13.938 11.246 1.862 1.00 0.52 H new ATOM 0 HE2 TYR A 41 10.595 9.761 -0.333 1.00 0.44 H new ATOM 0 HH TYR A 41 12.375 12.243 -0.338 1.00 0.64 H new ATOM 325 N MET A 42 10.750 5.269 1.975 1.00 0.20 N ATOM 326 CA MET A 42 9.327 5.259 1.693 1.00 0.20 C ATOM 327 C MET A 42 8.509 4.865 2.922 1.00 0.21 C ATOM 328 O MET A 42 7.416 5.388 3.126 1.00 0.22 O ATOM 329 CB MET A 42 9.033 4.318 0.514 1.00 0.23 C ATOM 330 CG MET A 42 7.849 3.383 0.727 1.00 0.80 C ATOM 331 SD MET A 42 6.385 3.898 -0.188 1.00 1.07 S ATOM 332 CE MET A 42 6.860 3.443 -1.850 1.00 1.13 C ATOM 0 H MET A 42 11.300 4.638 1.392 1.00 0.20 H new ATOM 0 HA MET A 42 9.029 6.272 1.421 1.00 0.20 H new ATOM 0 HB2 MET A 42 8.848 4.919 -0.376 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.921 3.718 0.315 1.00 0.23 H new ATOM 0 HG2 MET A 42 8.128 2.375 0.421 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.612 3.340 1.790 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.830 4.324 -2.491 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.871 3.035 -1.841 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.169 2.692 -2.233 1.00 1.13 H new ATOM 342 N GLN A 43 9.041 3.973 3.753 1.00 0.24 N ATOM 343 CA GLN A 43 8.290 3.508 4.923 1.00 0.30 C ATOM 344 C GLN A 43 8.071 4.644 5.913 1.00 0.30 C ATOM 345 O GLN A 43 6.970 4.829 6.428 1.00 0.33 O ATOM 346 CB GLN A 43 8.978 2.338 5.635 1.00 0.42 C ATOM 347 CG GLN A 43 10.425 2.119 5.258 1.00 0.84 C ATOM 348 CD GLN A 43 11.158 1.285 6.284 1.00 0.76 C ATOM 349 OE1 GLN A 43 12.083 1.757 6.940 1.00 1.30 O ATOM 350 NE2 GLN A 43 10.745 0.039 6.434 1.00 0.54 N ATOM 0 H GLN A 43 9.969 3.563 3.646 1.00 0.24 H new ATOM 0 HA GLN A 43 7.328 3.155 4.550 1.00 0.30 H new ATOM 0 HB2 GLN A 43 8.920 2.503 6.711 1.00 0.42 H new ATOM 0 HB3 GLN A 43 8.421 1.425 5.422 1.00 0.42 H new ATOM 0 HG2 GLN A 43 10.476 1.626 4.287 1.00 0.84 H new ATOM 0 HG3 GLN A 43 10.922 3.083 5.153 1.00 0.84 H new ATOM 0 HE21 GLN A 43 9.973 -0.314 5.869 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.198 -0.570 7.115 1.00 0.54 H new ATOM 359 N ASN A 44 9.121 5.401 6.169 1.00 0.30 N ATOM 360 CA ASN A 44 9.059 6.496 7.131 1.00 0.33 C ATOM 361 C ASN A 44 8.548 7.779 6.494 1.00 0.31 C ATOM 362 O ASN A 44 7.873 8.577 7.137 1.00 0.34 O ATOM 363 CB ASN A 44 10.437 6.740 7.745 1.00 0.37 C ATOM 364 CG ASN A 44 10.875 5.617 8.665 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.434 5.531 9.811 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.749 4.751 8.174 1.00 0.47 N ATOM 0 H ASN A 44 10.032 5.281 5.725 1.00 0.30 H new ATOM 0 HA ASN A 44 8.357 6.204 7.912 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.170 6.857 6.947 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.421 7.676 8.303 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.080 3.978 8.751 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.090 4.857 7.219 1.00 0.47 H new ATOM 373 N VAL A 45 8.888 7.983 5.239 1.00 0.27 N ATOM 374 CA VAL A 45 8.541 9.209 4.544 1.00 0.27 C ATOM 375 C VAL A 45 7.176 9.126 3.869 1.00 0.24 C ATOM 376 O VAL A 45 6.283 9.915 4.160 1.00 0.28 O ATOM 377 CB VAL A 45 9.604 9.543 3.485 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.197 10.751 2.666 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.956 9.759 4.140 1.00 0.30 C ATOM 0 H VAL A 45 9.408 7.312 4.674 1.00 0.27 H new ATOM 0 HA VAL A 45 8.500 9.996 5.297 1.00 0.27 H new ATOM 0 HB VAL A 45 9.685 8.695 2.805 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.967 10.964 1.925 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.253 10.546 2.160 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.077 11.612 3.323 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.697 9.994 3.376 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.890 10.585 4.848 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.254 8.853 4.667 1.00 0.30 H new ATOM 389 N VAL A 46 7.011 8.154 2.986 1.00 0.19 N ATOM 390 CA VAL A 46 5.829 8.098 2.136 1.00 0.19 C ATOM 391 C VAL A 46 4.624 7.526 2.876 1.00 0.19 C ATOM 392 O VAL A 46 3.657 8.243 3.142 1.00 0.19 O ATOM 393 CB VAL A 46 6.082 7.270 0.858 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.871 7.314 -0.061 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.316 7.780 0.128 1.00 0.22 C ATOM 0 H VAL A 46 7.677 7.395 2.838 1.00 0.19 H new ATOM 0 HA VAL A 46 5.611 9.127 1.852 1.00 0.19 H new ATOM 0 HB VAL A 46 6.254 6.235 1.152 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.071 6.724 -0.955 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.005 6.903 0.458 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.667 8.346 -0.346 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.479 7.185 -0.770 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.169 8.824 -0.150 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.185 7.697 0.781 1.00 0.22 H new ATOM 405 N VAL A 47 4.692 6.246 3.233 1.00 0.20 N ATOM 406 CA VAL A 47 3.536 5.574 3.823 1.00 0.23 C ATOM 407 C VAL A 47 3.229 6.106 5.223 1.00 0.23 C ATOM 408 O VAL A 47 2.068 6.233 5.586 1.00 0.25 O ATOM 409 CB VAL A 47 3.686 4.027 3.841 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.102 3.610 4.163 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.715 3.378 4.815 1.00 0.83 C ATOM 0 H VAL A 47 5.521 5.661 3.127 1.00 0.20 H new ATOM 0 HA VAL A 47 2.689 5.805 3.177 1.00 0.23 H new ATOM 0 HB VAL A 47 3.445 3.678 2.837 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.169 2.522 4.167 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.780 4.013 3.410 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.380 3.994 5.144 1.00 0.70 H new ATOM 0 HG21 VAL A 47 2.851 2.297 4.798 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.904 3.752 5.821 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.693 3.619 4.525 1.00 0.83 H new ATOM 421 N LYS A 48 4.254 6.447 5.999 1.00 0.26 N ATOM 422 CA LYS A 48 4.028 6.982 7.342 1.00 0.30 C ATOM 423 C LYS A 48 3.237 8.292 7.295 1.00 0.28 C ATOM 424 O LYS A 48 2.368 8.531 8.133 1.00 0.33 O ATOM 425 CB LYS A 48 5.352 7.198 8.068 1.00 0.36 C ATOM 426 CG LYS A 48 5.444 6.478 9.405 1.00 0.53 C ATOM 427 CD LYS A 48 5.365 4.969 9.234 1.00 1.25 C ATOM 428 CE LYS A 48 6.580 4.271 9.826 1.00 1.79 C ATOM 429 NZ LYS A 48 6.437 4.054 11.287 1.00 2.40 N ATOM 0 H LYS A 48 5.234 6.365 5.729 1.00 0.26 H new ATOM 0 HA LYS A 48 3.440 6.247 7.892 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.166 6.860 7.427 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.497 8.266 8.230 1.00 0.36 H new ATOM 0 HG2 LYS A 48 6.381 6.741 9.897 1.00 0.53 H new ATOM 0 HG3 LYS A 48 4.637 6.814 10.056 1.00 0.53 H new ATOM 0 HD2 LYS A 48 4.461 4.595 9.714 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.287 4.727 8.174 1.00 1.25 H new ATOM 0 HE2 LYS A 48 6.725 3.312 9.329 1.00 1.79 H new ATOM 0 HE3 LYS A 48 7.471 4.868 9.633 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 7.286 3.576 11.652 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 6.324 4.971 11.765 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 5.601 3.463 11.470 1.00 2.40 H new ATOM 443 N THR A 49 3.527 9.134 6.306 1.00 0.23 N ATOM 444 CA THR A 49 2.804 10.391 6.151 1.00 0.24 C ATOM 445 C THR A 49 1.392 10.144 5.613 1.00 0.22 C ATOM 446 O THR A 49 0.444 10.818 6.013 1.00 0.24 O ATOM 447 CB THR A 49 3.561 11.383 5.237 1.00 0.28 C ATOM 448 OG1 THR A 49 4.918 11.518 5.686 1.00 0.55 O ATOM 449 CG2 THR A 49 2.894 12.749 5.245 1.00 0.52 C ATOM 0 H THR A 49 4.251 8.970 5.606 1.00 0.23 H new ATOM 0 HA THR A 49 2.730 10.843 7.140 1.00 0.24 H new ATOM 0 HB THR A 49 3.542 10.990 4.220 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.526 11.178 4.997 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.446 13.427 4.594 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.869 12.656 4.886 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.888 13.145 6.261 1.00 0.52 H new ATOM 457 N LEU A 50 1.255 9.161 4.722 1.00 0.20 N ATOM 458 CA LEU A 50 -0.062 8.769 4.226 1.00 0.21 C ATOM 459 C LEU A 50 -0.880 8.163 5.367 1.00 0.20 C ATOM 460 O LEU A 50 -2.073 8.418 5.496 1.00 0.21 O ATOM 461 CB LEU A 50 0.061 7.761 3.065 1.00 0.24 C ATOM 462 CG LEU A 50 -0.887 7.975 1.867 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.551 6.664 1.471 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.940 9.031 2.179 1.00 0.29 C ATOM 0 H LEU A 50 2.032 8.627 4.333 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.569 9.657 3.848 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.087 7.787 2.698 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.110 6.760 3.462 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.290 8.332 1.028 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -2.216 6.834 0.624 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.787 5.939 1.192 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -2.126 6.279 2.313 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.593 9.160 1.316 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.531 8.713 3.037 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.450 9.977 2.407 1.00 0.29 H new ATOM 476 N TRP A 51 -0.209 7.375 6.200 1.00 0.22 N ATOM 477 CA TRP A 51 -0.824 6.750 7.367 1.00 0.24 C ATOM 478 C TRP A 51 -1.416 7.800 8.300 1.00 0.26 C ATOM 479 O TRP A 51 -2.468 7.592 8.894 1.00 0.29 O ATOM 480 CB TRP A 51 0.225 5.923 8.121 1.00 0.27 C ATOM 481 CG TRP A 51 -0.347 4.882 9.038 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.871 5.084 10.285 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.439 3.476 8.786 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.289 3.889 10.819 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.033 2.885 9.918 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.078 2.659 7.713 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.273 1.516 10.003 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.317 1.302 7.797 1.00 0.37 C ATOM 489 CH2 TRP A 51 -0.910 0.741 8.935 1.00 0.39 C ATOM 0 H TRP A 51 0.779 7.151 6.085 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.630 6.100 7.025 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.874 5.433 7.395 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.852 6.598 8.704 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.945 6.042 10.778 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.719 3.767 11.736 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.381 3.082 6.831 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.729 1.081 10.880 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.042 0.662 6.971 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.084 -0.324 8.970 1.00 0.39 H new ATOM 500 N LYS A 52 -0.744 8.935 8.411 1.00 0.27 N ATOM 501 CA LYS A 52 -1.156 9.966 9.349 1.00 0.29 C ATOM 502 C LYS A 52 -2.231 10.880 8.766 1.00 0.30 C ATOM 503 O LYS A 52 -2.551 11.920 9.346 1.00 0.45 O ATOM 504 CB LYS A 52 0.041 10.777 9.798 1.00 0.33 C ATOM 505 CG LYS A 52 0.817 10.090 10.903 1.00 0.48 C ATOM 506 CD LYS A 52 0.623 10.780 12.242 1.00 1.13 C ATOM 507 CE LYS A 52 1.572 11.954 12.405 1.00 1.74 C ATOM 508 NZ LYS A 52 1.476 12.554 13.761 1.00 2.24 N ATOM 0 H LYS A 52 0.086 9.165 7.865 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.593 9.464 10.212 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.700 10.950 8.947 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.294 11.754 10.145 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.497 9.051 10.980 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.877 10.079 10.650 1.00 0.48 H new ATOM 0 HD2 LYS A 52 -0.406 11.128 12.327 1.00 1.13 H new ATOM 0 HD3 LYS A 52 0.785 10.065 13.048 1.00 1.13 H new ATOM 0 HE2 LYS A 52 2.595 11.623 12.225 1.00 1.74 H new ATOM 0 HE3 LYS A 52 1.346 12.712 11.655 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 2.138 13.352 13.835 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 0.506 12.893 13.923 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 1.716 11.838 14.475 1.00 2.24 H new ATOM 522 N HIS A 53 -2.784 10.498 7.623 1.00 0.25 N ATOM 523 CA HIS A 53 -3.861 11.265 7.014 1.00 0.26 C ATOM 524 C HIS A 53 -5.202 10.890 7.638 1.00 0.31 C ATOM 525 O HIS A 53 -5.481 9.714 7.876 1.00 0.35 O ATOM 526 CB HIS A 53 -3.905 11.039 5.504 1.00 0.24 C ATOM 527 CG HIS A 53 -4.659 12.101 4.761 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.903 11.862 4.238 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.298 13.375 4.474 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.268 12.981 3.641 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.328 13.929 3.758 1.00 0.39 N ATOM 0 H HIS A 53 -2.506 9.666 7.102 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.668 12.322 7.199 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.885 10.994 5.122 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.364 10.071 5.303 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.376 13.861 4.755 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.206 13.116 3.123 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.370 14.878 3.387 1.00 0.39 H new ATOM 539 N GLN A 54 -6.035 11.895 7.874 1.00 0.42 N ATOM 540 CA GLN A 54 -7.319 11.707 8.550 1.00 0.54 C ATOM 541 C GLN A 54 -8.344 10.996 7.663 1.00 0.42 C ATOM 542 O GLN A 54 -9.488 10.798 8.067 1.00 0.47 O ATOM 543 CB GLN A 54 -7.879 13.059 8.998 1.00 0.79 C ATOM 544 CG GLN A 54 -7.502 13.437 10.423 1.00 1.09 C ATOM 545 CD GLN A 54 -7.642 12.280 11.391 1.00 1.24 C ATOM 546 OE1 GLN A 54 -8.751 11.856 11.717 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.517 11.761 11.856 1.00 1.21 N ATOM 0 H GLN A 54 -5.844 12.860 7.605 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.136 11.073 9.417 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.521 13.833 8.320 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.965 13.038 8.913 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.473 13.796 10.439 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.133 14.262 10.755 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.619 12.143 11.560 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -6.548 10.979 12.510 1.00 1.21 H new ATOM 556 N PHE A 55 -7.941 10.623 6.458 1.00 0.36 N ATOM 557 CA PHE A 55 -8.831 9.905 5.556 1.00 0.31 C ATOM 558 C PHE A 55 -8.267 8.530 5.215 1.00 0.27 C ATOM 559 O PHE A 55 -8.943 7.708 4.604 1.00 0.29 O ATOM 560 CB PHE A 55 -9.052 10.708 4.272 1.00 0.36 C ATOM 561 CG PHE A 55 -10.233 11.639 4.324 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.414 11.240 4.931 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.164 12.910 3.773 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.503 12.087 4.987 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.252 13.762 3.826 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.408 13.370 4.408 1.00 0.86 C ATOM 0 H PHE A 55 -7.010 10.804 6.083 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.787 9.773 6.063 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.154 11.289 4.061 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.186 10.015 3.441 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -11.483 10.254 5.366 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -9.251 13.238 3.298 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -13.417 11.771 5.468 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -11.178 14.751 3.398 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.257 14.038 4.430 1.00 0.86 H new ATOM 576 N ALA A 56 -7.038 8.272 5.632 1.00 0.25 N ATOM 577 CA ALA A 56 -6.366 7.022 5.291 1.00 0.25 C ATOM 578 C ALA A 56 -6.584 5.969 6.366 1.00 0.26 C ATOM 579 O ALA A 56 -6.018 4.877 6.307 1.00 0.28 O ATOM 580 CB ALA A 56 -4.881 7.265 5.093 1.00 0.28 C ATOM 0 H ALA A 56 -6.484 8.908 6.206 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.796 6.650 4.361 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.389 6.326 4.839 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.734 7.982 4.285 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.452 7.662 6.013 1.00 0.28 H new ATOM 586 N TRP A 57 -7.427 6.296 7.333 1.00 0.30 N ATOM 587 CA TRP A 57 -7.640 5.432 8.493 1.00 0.34 C ATOM 588 C TRP A 57 -8.238 4.047 8.148 1.00 0.35 C ATOM 589 O TRP A 57 -7.886 3.066 8.801 1.00 0.40 O ATOM 590 CB TRP A 57 -8.467 6.143 9.584 1.00 0.37 C ATOM 591 CG TRP A 57 -9.827 6.614 9.165 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.125 7.735 8.446 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.080 5.983 9.462 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.483 7.837 8.273 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.092 6.772 8.885 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.442 4.824 10.158 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.442 6.440 8.987 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -12.781 4.496 10.254 1.00 0.54 C ATOM 599 CH2 TRP A 57 -13.766 5.300 9.671 1.00 0.58 C ATOM 0 H TRP A 57 -7.978 7.154 7.341 1.00 0.30 H new ATOM 0 HA TRP A 57 -6.645 5.231 8.889 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -8.582 5.463 10.428 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -7.900 7.002 9.942 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.398 8.439 8.068 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -11.962 8.584 7.770 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -10.689 4.197 10.612 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.205 7.061 8.542 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.072 3.604 10.788 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -14.804 5.015 9.763 1.00 0.58 H new ATOM 610 N PRO A 58 -9.138 3.903 7.143 1.00 0.34 N ATOM 611 CA PRO A 58 -9.668 2.582 6.775 1.00 0.40 C ATOM 612 C PRO A 58 -8.625 1.708 6.082 1.00 0.36 C ATOM 613 O PRO A 58 -8.765 0.488 6.023 1.00 0.45 O ATOM 614 CB PRO A 58 -10.819 2.900 5.809 1.00 0.47 C ATOM 615 CG PRO A 58 -11.064 4.360 5.945 1.00 0.40 C ATOM 616 CD PRO A 58 -9.746 4.961 6.319 1.00 0.32 C ATOM 0 HA PRO A 58 -9.979 2.018 7.655 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.553 2.641 4.784 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -11.712 2.328 6.061 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.436 4.783 5.012 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -11.816 4.561 6.708 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.141 5.191 5.442 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -9.867 5.890 6.876 1.00 0.32 H new ATOM 624 N PHE A 59 -7.568 2.339 5.586 1.00 0.31 N ATOM 625 CA PHE A 59 -6.543 1.636 4.821 1.00 0.31 C ATOM 626 C PHE A 59 -5.496 1.012 5.741 1.00 0.31 C ATOM 627 O PHE A 59 -4.595 0.308 5.284 1.00 0.52 O ATOM 628 CB PHE A 59 -5.857 2.598 3.847 1.00 0.36 C ATOM 629 CG PHE A 59 -6.728 3.050 2.709 1.00 0.47 C ATOM 630 CD1 PHE A 59 -7.700 4.017 2.906 1.00 0.68 C ATOM 631 CD2 PHE A 59 -6.563 2.518 1.440 1.00 0.92 C ATOM 632 CE1 PHE A 59 -8.493 4.444 1.858 1.00 0.87 C ATOM 633 CE2 PHE A 59 -7.352 2.942 0.389 1.00 1.11 C ATOM 634 CZ PHE A 59 -8.319 3.906 0.598 1.00 0.95 C ATOM 0 H PHE A 59 -7.397 3.338 5.700 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.034 0.838 4.263 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -5.517 3.474 4.399 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.970 2.113 3.440 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -7.840 4.442 3.889 1.00 0.68 H new ATOM 0 HD2 PHE A 59 -5.809 1.763 1.271 1.00 0.92 H new ATOM 0 HE1 PHE A 59 -9.248 5.198 2.024 1.00 0.87 H new ATOM 0 HE2 PHE A 59 -7.213 2.520 -0.596 1.00 1.11 H new ATOM 0 HZ PHE A 59 -8.938 4.238 -0.222 1.00 0.95 H new ATOM 644 N TYR A 60 -5.623 1.278 7.038 1.00 0.35 N ATOM 645 CA TYR A 60 -4.678 0.767 8.034 1.00 0.39 C ATOM 646 C TYR A 60 -4.662 -0.757 8.036 1.00 0.45 C ATOM 647 O TYR A 60 -3.615 -1.386 8.198 1.00 0.63 O ATOM 648 CB TYR A 60 -5.053 1.256 9.437 1.00 0.46 C ATOM 649 CG TYR A 60 -4.895 2.747 9.663 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.289 3.566 8.719 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.364 3.334 10.834 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.157 4.923 8.935 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.237 4.690 11.052 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.634 5.478 10.102 1.00 0.45 C ATOM 655 OH TYR A 60 -4.512 6.830 10.314 1.00 0.58 O ATOM 0 H TYR A 60 -6.374 1.847 7.428 1.00 0.35 H new ATOM 0 HA TYR A 60 -3.689 1.140 7.767 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.089 0.982 9.635 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -4.439 0.727 10.165 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -3.915 3.135 7.802 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.835 2.717 11.585 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.682 5.547 8.192 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.610 5.130 11.965 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.950 7.222 9.613 1.00 0.58 H new ATOM 665 N GLN A 61 -5.835 -1.336 7.859 1.00 0.46 N ATOM 666 CA GLN A 61 -5.992 -2.776 7.899 1.00 0.55 C ATOM 667 C GLN A 61 -5.989 -3.354 6.493 1.00 0.56 C ATOM 668 O GLN A 61 -6.664 -2.839 5.603 1.00 0.57 O ATOM 669 CB GLN A 61 -7.292 -3.135 8.613 1.00 0.65 C ATOM 670 CG GLN A 61 -7.426 -2.500 9.990 1.00 0.71 C ATOM 671 CD GLN A 61 -8.853 -2.498 10.494 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.326 -3.488 11.056 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.551 -1.391 10.298 1.00 1.63 N ATOM 0 H GLN A 61 -6.700 -0.824 7.685 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.153 -3.204 8.447 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.134 -2.824 7.995 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.354 -4.219 8.714 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -6.796 -3.039 10.697 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.057 -1.475 9.951 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.122 -0.594 9.828 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.518 -1.335 10.617 1.00 1.63 H new ATOM 682 N PRO A 62 -5.214 -4.425 6.270 1.00 0.63 N ATOM 683 CA PRO A 62 -5.155 -5.089 4.972 1.00 0.68 C ATOM 684 C PRO A 62 -6.378 -5.962 4.719 1.00 0.69 C ATOM 685 O PRO A 62 -6.933 -6.567 5.646 1.00 0.77 O ATOM 686 CB PRO A 62 -3.896 -5.947 5.078 1.00 0.78 C ATOM 687 CG PRO A 62 -3.763 -6.255 6.528 1.00 0.87 C ATOM 688 CD PRO A 62 -4.330 -5.069 7.265 1.00 0.73 C ATOM 0 HA PRO A 62 -5.135 -4.380 4.145 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -3.988 -6.858 4.487 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.022 -5.413 4.706 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -4.304 -7.166 6.783 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -2.719 -6.418 6.797 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -4.884 -5.377 8.152 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.544 -4.392 7.599 1.00 0.73 H new ATOM 696 N VAL A 63 -6.801 -6.017 3.470 1.00 0.66 N ATOM 697 CA VAL A 63 -7.925 -6.841 3.078 1.00 0.69 C ATOM 698 C VAL A 63 -7.567 -8.325 3.166 1.00 0.77 C ATOM 699 O VAL A 63 -6.751 -8.842 2.399 1.00 0.88 O ATOM 700 CB VAL A 63 -8.409 -6.474 1.662 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.176 -7.616 1.027 1.00 0.82 C ATOM 702 CG2 VAL A 63 -9.267 -5.222 1.715 1.00 0.75 C ATOM 0 H VAL A 63 -6.377 -5.494 2.704 1.00 0.66 H new ATOM 0 HA VAL A 63 -8.743 -6.649 3.772 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.533 -6.280 1.043 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.503 -7.324 0.029 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.531 -8.492 0.956 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.046 -7.855 1.639 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.605 -4.970 0.710 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -10.132 -5.400 2.354 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.681 -4.396 2.119 1.00 0.75 H new ATOM 712 N ASP A 64 -8.172 -8.987 4.138 1.00 0.79 N ATOM 713 CA ASP A 64 -7.966 -10.411 4.372 1.00 0.93 C ATOM 714 C ASP A 64 -9.238 -11.180 4.005 1.00 1.00 C ATOM 715 O ASP A 64 -9.290 -12.411 4.064 1.00 1.51 O ATOM 716 CB ASP A 64 -7.572 -10.612 5.847 1.00 1.02 C ATOM 717 CG ASP A 64 -7.872 -11.994 6.395 1.00 1.29 C ATOM 718 OD1 ASP A 64 -7.003 -12.886 6.273 1.00 1.42 O ATOM 719 OD2 ASP A 64 -8.967 -12.182 6.973 1.00 1.85 O ATOM 0 H ASP A 64 -8.823 -8.552 4.791 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.162 -10.797 3.746 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -6.505 -10.416 5.955 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -8.095 -9.873 6.454 1.00 1.02 H new ATOM 724 N ALA A 65 -10.246 -10.416 3.576 1.00 0.94 N ATOM 725 CA ALA A 65 -11.580 -10.929 3.258 1.00 0.94 C ATOM 726 C ALA A 65 -12.358 -11.255 4.527 1.00 1.03 C ATOM 727 O ALA A 65 -13.357 -10.612 4.820 1.00 1.29 O ATOM 728 CB ALA A 65 -11.532 -12.139 2.334 1.00 0.96 C ATOM 0 H ALA A 65 -10.156 -9.409 3.438 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.101 -10.135 2.723 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -12.547 -12.481 2.129 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.046 -11.863 1.398 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -10.969 -12.940 2.813 1.00 0.96 H new ATOM 734 N ILE A 66 -11.883 -12.221 5.295 1.00 1.03 N ATOM 735 CA ILE A 66 -12.592 -12.662 6.490 1.00 1.14 C ATOM 736 C ILE A 66 -12.576 -11.582 7.569 1.00 1.13 C ATOM 737 O ILE A 66 -13.616 -11.237 8.131 1.00 1.19 O ATOM 738 CB ILE A 66 -11.985 -13.961 7.061 1.00 1.24 C ATOM 739 CG1 ILE A 66 -11.890 -15.028 5.967 1.00 1.35 C ATOM 740 CG2 ILE A 66 -12.812 -14.473 8.232 1.00 1.37 C ATOM 741 CD1 ILE A 66 -10.769 -16.018 6.185 1.00 1.89 C ATOM 0 H ILE A 66 -11.010 -12.716 5.115 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.622 -12.857 6.193 1.00 1.14 H new ATOM 0 HB ILE A 66 -10.981 -13.741 7.423 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -12.835 -15.568 5.914 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.749 -14.538 5.004 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -12.366 -15.389 8.619 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -12.834 -13.719 9.019 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.829 -14.678 7.897 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -10.762 -16.744 5.372 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -9.816 -15.489 6.208 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -10.920 -16.536 7.132 1.00 1.89 H new ATOM 753 N LYS A 67 -11.388 -11.043 7.829 1.00 1.10 N ATOM 754 CA LYS A 67 -11.193 -10.030 8.866 1.00 1.15 C ATOM 755 C LYS A 67 -12.191 -8.875 8.746 1.00 1.13 C ATOM 756 O LYS A 67 -12.875 -8.531 9.708 1.00 1.27 O ATOM 757 CB LYS A 67 -9.766 -9.482 8.789 1.00 1.21 C ATOM 758 CG LYS A 67 -9.481 -8.367 9.780 1.00 1.50 C ATOM 759 CD LYS A 67 -8.141 -7.709 9.496 1.00 1.90 C ATOM 760 CE LYS A 67 -8.108 -6.274 9.995 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.585 -6.150 11.399 1.00 2.99 N ATOM 0 H LYS A 67 -10.535 -11.294 7.329 1.00 1.10 H new ATOM 0 HA LYS A 67 -11.362 -10.512 9.829 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.064 -10.298 8.963 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -9.583 -9.113 7.780 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -10.274 -7.621 9.729 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.485 -8.768 10.794 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -7.345 -8.280 9.975 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -7.946 -7.727 8.424 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -7.090 -5.891 9.925 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -8.727 -5.653 9.348 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -8.850 -5.163 11.590 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -9.412 -6.764 11.540 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -7.826 -6.437 12.050 1.00 2.99 H new ATOM 775 N LEU A 68 -12.283 -8.295 7.560 1.00 1.02 N ATOM 776 CA LEU A 68 -13.066 -7.080 7.368 1.00 1.03 C ATOM 777 C LEU A 68 -14.382 -7.368 6.651 1.00 1.05 C ATOM 778 O LEU A 68 -15.113 -6.443 6.295 1.00 1.10 O ATOM 779 CB LEU A 68 -12.246 -6.063 6.571 1.00 1.02 C ATOM 780 CG LEU A 68 -11.976 -4.720 7.263 1.00 1.07 C ATOM 781 CD1 LEU A 68 -13.039 -3.705 6.882 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.911 -4.879 8.775 1.00 1.66 C ATOM 0 H LEU A 68 -11.827 -8.643 6.716 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.307 -6.672 8.350 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.288 -6.517 6.319 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -12.763 -5.867 5.632 1.00 1.02 H new ATOM 0 HG LEU A 68 -11.006 -4.358 6.923 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -12.833 -2.758 7.381 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -13.029 -3.556 5.802 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -14.019 -4.071 7.189 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.719 -3.910 9.235 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -12.860 -5.272 9.141 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -11.108 -5.569 9.034 1.00 1.66 H new ATOM 794 N ASN A 69 -14.669 -8.651 6.459 1.00 1.06 N ATOM 795 CA ASN A 69 -15.882 -9.103 5.768 1.00 1.12 C ATOM 796 C ASN A 69 -15.945 -8.552 4.345 1.00 1.09 C ATOM 797 O ASN A 69 -16.802 -7.729 4.013 1.00 1.15 O ATOM 798 CB ASN A 69 -17.136 -8.718 6.554 1.00 1.24 C ATOM 799 CG ASN A 69 -18.315 -9.631 6.259 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.286 -10.436 5.325 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.364 -9.513 7.057 1.00 1.55 N ATOM 0 H ASN A 69 -14.069 -9.412 6.777 1.00 1.06 H new ATOM 0 HA ASN A 69 -15.841 -10.190 5.705 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -16.915 -8.749 7.621 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.409 -7.690 6.315 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.185 -10.100 6.910 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -19.351 -8.836 7.819 1.00 1.55 H new ATOM 808 N LEU A 70 -15.025 -9.019 3.515 1.00 1.04 N ATOM 809 CA LEU A 70 -14.937 -8.595 2.124 1.00 1.01 C ATOM 810 C LEU A 70 -14.905 -9.804 1.189 1.00 0.99 C ATOM 811 O LEU A 70 -13.891 -10.050 0.535 1.00 0.95 O ATOM 812 CB LEU A 70 -13.668 -7.759 1.902 1.00 1.01 C ATOM 813 CG LEU A 70 -13.820 -6.232 1.971 1.00 1.13 C ATOM 814 CD1 LEU A 70 -15.277 -5.811 2.060 1.00 1.61 C ATOM 815 CD2 LEU A 70 -13.036 -5.684 3.150 1.00 1.54 C ATOM 0 H LEU A 70 -14.318 -9.703 3.786 1.00 1.04 H new ATOM 0 HA LEU A 70 -15.818 -7.993 1.902 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -12.929 -8.060 2.645 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.260 -8.015 0.924 1.00 1.01 H new ATOM 0 HG LEU A 70 -13.418 -5.816 1.047 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -15.339 -4.724 2.107 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -15.813 -6.168 1.181 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -15.725 -6.239 2.957 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -13.150 -4.601 3.191 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -13.413 -6.123 4.073 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -11.981 -5.934 3.033 1.00 1.54 H new ATOM 827 N PRO A 71 -16.005 -10.575 1.100 1.00 1.06 N ATOM 828 CA PRO A 71 -16.053 -11.759 0.239 1.00 1.11 C ATOM 829 C PRO A 71 -16.009 -11.391 -1.240 1.00 1.05 C ATOM 830 O PRO A 71 -15.409 -12.095 -2.051 1.00 1.09 O ATOM 831 CB PRO A 71 -17.391 -12.413 0.596 1.00 1.28 C ATOM 832 CG PRO A 71 -18.227 -11.319 1.157 1.00 1.30 C ATOM 833 CD PRO A 71 -17.276 -10.363 1.825 1.00 1.18 C ATOM 0 HA PRO A 71 -15.197 -12.415 0.396 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.860 -12.854 -0.284 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.255 -13.215 1.321 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.793 -10.819 0.371 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.951 -11.710 1.871 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.619 -9.332 1.741 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.172 -10.578 2.888 1.00 1.18 H new ATOM 841 N ASP A 72 -16.630 -10.264 -1.579 1.00 1.04 N ATOM 842 CA ASP A 72 -16.689 -9.803 -2.963 1.00 1.07 C ATOM 843 C ASP A 72 -15.329 -9.297 -3.419 1.00 0.94 C ATOM 844 O ASP A 72 -14.978 -9.393 -4.595 1.00 0.95 O ATOM 845 CB ASP A 72 -17.715 -8.679 -3.110 1.00 1.24 C ATOM 846 CG ASP A 72 -19.134 -9.181 -3.247 1.00 1.49 C ATOM 847 OD1 ASP A 72 -19.321 -10.287 -3.799 1.00 1.93 O ATOM 848 OD2 ASP A 72 -20.068 -8.485 -2.801 1.00 1.97 O ATOM 0 H ASP A 72 -17.100 -9.652 -0.912 1.00 1.04 H new ATOM 0 HA ASP A 72 -16.985 -10.649 -3.584 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -17.651 -8.022 -2.243 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.463 -8.078 -3.984 1.00 1.24 H new ATOM 853 N TYR A 73 -14.569 -8.761 -2.473 1.00 0.87 N ATOM 854 CA TYR A 73 -13.254 -8.202 -2.756 1.00 0.79 C ATOM 855 C TYR A 73 -12.335 -9.266 -3.345 1.00 0.74 C ATOM 856 O TYR A 73 -11.672 -9.035 -4.355 1.00 0.73 O ATOM 857 CB TYR A 73 -12.651 -7.630 -1.470 1.00 0.78 C ATOM 858 CG TYR A 73 -11.499 -6.667 -1.677 1.00 0.73 C ATOM 859 CD1 TYR A 73 -10.315 -7.087 -2.271 1.00 0.80 C ATOM 860 CD2 TYR A 73 -11.603 -5.334 -1.304 1.00 0.88 C ATOM 861 CE1 TYR A 73 -9.272 -6.205 -2.488 1.00 0.90 C ATOM 862 CE2 TYR A 73 -10.565 -4.449 -1.514 1.00 0.97 C ATOM 863 CZ TYR A 73 -9.368 -4.908 -2.005 1.00 0.94 C ATOM 864 OH TYR A 73 -8.375 -4.001 -2.335 1.00 1.13 O ATOM 0 H TYR A 73 -14.845 -8.702 -1.493 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.360 -7.402 -3.488 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.437 -7.119 -0.914 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -12.307 -8.457 -0.849 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -10.207 -8.120 -2.568 1.00 0.80 H new ATOM 0 HD2 TYR A 73 -12.513 -4.983 -0.841 1.00 0.88 H new ATOM 0 HE1 TYR A 73 -8.392 -6.523 -3.028 1.00 0.90 H new ATOM 0 HE2 TYR A 73 -10.694 -3.400 -1.293 1.00 0.97 H new ATOM 0 HH TYR A 73 -8.576 -3.133 -1.927 1.00 1.13 H new ATOM 874 N HIS A 74 -12.335 -10.444 -2.731 1.00 0.79 N ATOM 875 CA HIS A 74 -11.458 -11.533 -3.151 1.00 0.80 C ATOM 876 C HIS A 74 -11.974 -12.188 -4.428 1.00 0.85 C ATOM 877 O HIS A 74 -11.301 -13.030 -5.025 1.00 0.91 O ATOM 878 CB HIS A 74 -11.346 -12.581 -2.038 1.00 0.89 C ATOM 879 CG HIS A 74 -10.220 -12.328 -1.082 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.825 -11.053 -0.753 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.449 -13.216 -0.410 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.828 -11.192 0.102 1.00 0.78 C ATOM 883 NE2 HIS A 74 -8.566 -12.485 0.340 1.00 0.82 N ATOM 0 H HIS A 74 -12.935 -10.671 -1.938 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.472 -11.115 -3.352 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -12.283 -12.609 -1.482 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -11.214 -13.564 -2.489 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -9.517 -14.293 -0.457 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.292 -10.369 0.552 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -7.846 -12.854 0.961 1.00 0.82 H new ATOM 891 N LYS A 75 -13.170 -11.794 -4.843 1.00 0.89 N ATOM 892 CA LYS A 75 -13.784 -12.339 -6.038 1.00 0.97 C ATOM 893 C LYS A 75 -13.511 -11.429 -7.224 1.00 0.92 C ATOM 894 O LYS A 75 -13.162 -11.894 -8.310 1.00 1.11 O ATOM 895 CB LYS A 75 -15.294 -12.495 -5.837 1.00 1.09 C ATOM 896 CG LYS A 75 -15.668 -13.592 -4.857 1.00 1.20 C ATOM 897 CD LYS A 75 -15.036 -14.918 -5.236 1.00 1.68 C ATOM 898 CE LYS A 75 -15.866 -16.086 -4.736 1.00 2.05 C ATOM 899 NZ LYS A 75 -15.268 -17.393 -5.109 1.00 2.86 N ATOM 0 H LYS A 75 -13.735 -11.093 -4.363 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.353 -13.321 -6.235 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.704 -11.549 -5.484 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.760 -12.705 -6.800 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -15.348 -13.309 -3.854 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -16.752 -13.700 -4.827 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -14.934 -14.979 -6.320 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -14.031 -14.977 -4.818 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -15.960 -16.026 -3.652 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -16.873 -16.017 -5.147 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -15.866 -18.164 -4.748 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -15.202 -17.462 -6.145 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -14.317 -17.470 -4.696 1.00 2.86 H new ATOM 913 N ILE A 76 -13.670 -10.133 -7.006 1.00 0.78 N ATOM 914 CA ILE A 76 -13.469 -9.155 -8.060 1.00 0.77 C ATOM 915 C ILE A 76 -11.990 -8.811 -8.213 1.00 0.69 C ATOM 916 O ILE A 76 -11.443 -8.858 -9.316 1.00 0.78 O ATOM 917 CB ILE A 76 -14.282 -7.867 -7.798 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.782 -8.152 -7.923 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.871 -6.760 -8.761 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.629 -7.435 -6.894 1.00 1.00 C ATOM 0 H ILE A 76 -13.938 -9.735 -6.106 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.824 -9.604 -8.987 1.00 0.77 H new ATOM 0 HB ILE A 76 -14.071 -7.530 -6.783 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -16.115 -7.862 -8.920 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.947 -9.226 -7.831 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.457 -5.864 -8.557 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.812 -6.538 -8.630 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -14.050 -7.085 -9.786 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.678 -7.687 -7.047 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -16.324 -7.743 -5.894 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.495 -6.358 -6.999 1.00 1.00 H new ATOM 932 N ILE A 77 -11.343 -8.485 -7.105 1.00 0.58 N ATOM 933 CA ILE A 77 -9.946 -8.085 -7.136 1.00 0.53 C ATOM 934 C ILE A 77 -9.045 -9.311 -7.148 1.00 0.64 C ATOM 935 O ILE A 77 -9.307 -10.293 -6.450 1.00 0.75 O ATOM 936 CB ILE A 77 -9.578 -7.184 -5.936 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.515 -5.974 -5.863 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.130 -6.728 -6.032 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.434 -5.063 -7.069 1.00 0.50 C ATOM 0 H ILE A 77 -11.762 -8.490 -6.175 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.795 -7.510 -8.049 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.696 -7.768 -5.023 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.541 -6.327 -5.755 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.280 -5.398 -4.968 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.891 -6.095 -5.178 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.474 -7.598 -6.034 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.987 -6.164 -6.953 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -11.126 -4.230 -6.943 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.419 -4.679 -7.168 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.699 -5.623 -7.966 1.00 0.50 H new ATOM 951 N LYS A 78 -8.004 -9.263 -7.963 1.00 0.74 N ATOM 952 CA LYS A 78 -7.074 -10.378 -8.066 1.00 0.90 C ATOM 953 C LYS A 78 -6.040 -10.330 -6.947 1.00 0.73 C ATOM 954 O LYS A 78 -5.787 -11.334 -6.286 1.00 0.72 O ATOM 955 CB LYS A 78 -6.382 -10.377 -9.431 1.00 1.16 C ATOM 956 CG LYS A 78 -6.994 -11.361 -10.418 1.00 1.45 C ATOM 957 CD LYS A 78 -7.593 -10.659 -11.630 1.00 1.67 C ATOM 958 CE LYS A 78 -8.795 -9.802 -11.257 1.00 1.72 C ATOM 959 NZ LYS A 78 -9.992 -10.617 -10.923 1.00 1.99 N ATOM 0 H LYS A 78 -7.781 -8.468 -8.561 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.643 -11.302 -7.965 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.429 -9.373 -9.853 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.327 -10.617 -9.296 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.230 -12.065 -10.748 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.768 -11.942 -9.917 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -6.833 -10.033 -12.099 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -7.893 -11.403 -12.368 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.538 -9.173 -10.405 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.033 -9.135 -12.086 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -10.531 -10.148 -10.167 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -10.592 -10.715 -11.767 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -9.692 -11.559 -10.601 1.00 1.99 H new ATOM 973 N ASN A 79 -5.456 -9.160 -6.732 1.00 0.67 N ATOM 974 CA ASN A 79 -4.442 -8.987 -5.696 1.00 0.56 C ATOM 975 C ASN A 79 -4.932 -8.034 -4.612 1.00 0.54 C ATOM 976 O ASN A 79 -4.848 -6.818 -4.760 1.00 0.52 O ATOM 977 CB ASN A 79 -3.120 -8.463 -6.283 1.00 0.60 C ATOM 978 CG ASN A 79 -3.282 -7.739 -7.611 1.00 1.09 C ATOM 979 OD1 ASN A 79 -4.222 -6.970 -7.817 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.358 -7.979 -8.526 1.00 1.28 N ATOM 0 H ASN A 79 -5.666 -8.314 -7.261 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.261 -9.968 -5.256 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.658 -7.786 -5.565 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.436 -9.301 -6.418 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -2.410 -7.521 -9.436 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -1.593 -8.622 -8.322 1.00 1.28 H new ATOM 987 N PRO A 80 -5.470 -8.576 -3.510 1.00 0.58 N ATOM 988 CA PRO A 80 -5.936 -7.764 -2.384 1.00 0.60 C ATOM 989 C PRO A 80 -4.783 -7.179 -1.567 1.00 0.55 C ATOM 990 O PRO A 80 -4.187 -7.860 -0.729 1.00 0.64 O ATOM 991 CB PRO A 80 -6.747 -8.754 -1.548 1.00 0.70 C ATOM 992 CG PRO A 80 -6.183 -10.094 -1.869 1.00 0.89 C ATOM 993 CD PRO A 80 -5.687 -10.017 -3.288 1.00 0.67 C ATOM 0 HA PRO A 80 -6.509 -6.897 -2.714 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.659 -8.535 -0.484 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.807 -8.703 -1.797 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.371 -10.347 -1.187 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.941 -10.870 -1.764 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.766 -10.585 -3.421 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.416 -10.424 -3.989 1.00 0.67 H new ATOM 1001 N MET A 81 -4.463 -5.916 -1.830 1.00 0.46 N ATOM 1002 CA MET A 81 -3.369 -5.233 -1.145 1.00 0.43 C ATOM 1003 C MET A 81 -3.804 -3.845 -0.726 1.00 0.43 C ATOM 1004 O MET A 81 -4.576 -3.183 -1.419 1.00 0.55 O ATOM 1005 CB MET A 81 -2.124 -5.151 -2.041 1.00 0.44 C ATOM 1006 CG MET A 81 -2.082 -6.217 -3.129 1.00 0.74 C ATOM 1007 SD MET A 81 -0.654 -7.316 -3.004 1.00 0.82 S ATOM 1008 CE MET A 81 -0.886 -8.008 -1.371 1.00 0.70 C ATOM 0 H MET A 81 -4.949 -5.341 -2.518 1.00 0.46 H new ATOM 0 HA MET A 81 -3.110 -5.809 -0.256 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.087 -4.167 -2.507 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.233 -5.243 -1.420 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.994 -6.812 -3.080 1.00 0.74 H new ATOM 0 HG3 MET A 81 -2.072 -5.730 -4.104 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.003 -7.810 -0.763 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.758 -7.552 -0.903 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.039 -9.084 -1.450 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.286 -3.421 0.410 1.00 0.37 N ATOM 1019 CA ASP A 82 -3.702 -2.189 1.053 1.00 0.36 C ATOM 1020 C ASP A 82 -2.489 -1.569 1.726 1.00 0.35 C ATOM 1021 O ASP A 82 -1.362 -1.865 1.360 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.811 -2.448 2.092 1.00 0.38 C ATOM 1023 CG ASP A 82 -5.986 -3.234 1.539 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -5.904 -4.483 1.526 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -6.988 -2.613 1.122 1.00 1.32 O ATOM 0 H ASP A 82 -2.559 -3.925 0.917 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.109 -1.511 0.303 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -4.387 -2.990 2.937 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.171 -1.493 2.474 1.00 0.38 H new ATOM 1030 N MET A 83 -2.703 -0.785 2.760 1.00 0.27 N ATOM 1031 CA MET A 83 -1.612 -0.028 3.357 1.00 0.26 C ATOM 1032 C MET A 83 -1.026 -0.824 4.498 1.00 0.25 C ATOM 1033 O MET A 83 0.111 -0.606 4.915 1.00 0.26 O ATOM 1034 CB MET A 83 -2.086 1.342 3.849 1.00 0.31 C ATOM 1035 CG MET A 83 -1.556 2.503 3.023 1.00 0.43 C ATOM 1036 SD MET A 83 -0.863 3.823 4.036 1.00 0.80 S ATOM 1037 CE MET A 83 -2.327 4.384 4.903 1.00 0.38 C ATOM 0 H MET A 83 -3.611 -0.652 3.205 1.00 0.27 H new ATOM 0 HA MET A 83 -0.849 0.145 2.598 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.176 1.366 3.837 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.776 1.473 4.886 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.791 2.136 2.339 1.00 0.43 H new ATOM 0 HG3 MET A 83 -2.363 2.906 2.412 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.332 5.473 4.942 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.217 4.036 4.378 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.325 3.984 5.917 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.805 -1.786 4.969 1.00 0.26 N ATOM 1048 CA GLY A 84 -1.324 -2.673 5.996 1.00 0.29 C ATOM 1049 C GLY A 84 -0.466 -3.738 5.378 1.00 0.26 C ATOM 1050 O GLY A 84 0.411 -4.315 6.019 1.00 0.32 O ATOM 0 H GLY A 84 -2.759 -1.965 4.656 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.751 -2.113 6.735 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -2.164 -3.128 6.521 1.00 0.29 H new ATOM 1054 N THR A 85 -0.726 -3.988 4.103 1.00 0.24 N ATOM 1055 CA THR A 85 0.029 -4.957 3.351 1.00 0.25 C ATOM 1056 C THR A 85 1.306 -4.353 2.788 1.00 0.26 C ATOM 1057 O THR A 85 2.361 -4.987 2.811 1.00 0.32 O ATOM 1058 CB THR A 85 -0.812 -5.555 2.215 1.00 0.27 C ATOM 1059 OG1 THR A 85 -2.151 -5.048 2.295 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.830 -7.072 2.300 1.00 0.84 C ATOM 0 H THR A 85 -1.463 -3.524 3.571 1.00 0.24 H new ATOM 0 HA THR A 85 0.302 -5.755 4.041 1.00 0.25 H new ATOM 0 HB THR A 85 -0.367 -5.269 1.262 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.775 -5.715 1.941 1.00 0.95 H new ATOM 0 HG21 THR A 85 -1.432 -7.475 1.485 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.188 -7.453 2.222 1.00 0.84 H new ATOM 0 HG23 THR A 85 -1.259 -7.378 3.254 1.00 0.84 H new ATOM 1068 N ILE A 86 1.203 -3.124 2.289 1.00 0.27 N ATOM 1069 CA ILE A 86 2.359 -2.413 1.748 1.00 0.31 C ATOM 1070 C ILE A 86 3.455 -2.328 2.809 1.00 0.29 C ATOM 1071 O ILE A 86 4.620 -2.641 2.550 1.00 0.32 O ATOM 1072 CB ILE A 86 1.989 -0.977 1.272 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.234 -0.968 -0.071 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.237 -0.124 1.141 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.786 -2.326 -0.564 1.00 0.97 C ATOM 0 H ILE A 86 0.330 -2.599 2.248 1.00 0.27 H new ATOM 0 HA ILE A 86 2.714 -2.973 0.883 1.00 0.31 H new ATOM 0 HB ILE A 86 1.325 -0.565 2.032 1.00 0.36 H new ATOM 0 HG12 ILE A 86 0.358 -0.327 0.027 1.00 0.55 H new ATOM 0 HG13 ILE A 86 1.876 -0.517 -0.828 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.961 0.876 0.807 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.737 -0.059 2.108 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.912 -0.576 0.414 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.265 -2.214 -1.515 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.656 -2.969 -0.700 1.00 0.97 H new ATOM 0 HD13 ILE A 86 0.114 -2.775 0.167 1.00 0.97 H new ATOM 1087 N LYS A 87 3.061 -1.935 4.017 1.00 0.29 N ATOM 1088 CA LYS A 87 4.002 -1.791 5.117 1.00 0.34 C ATOM 1089 C LYS A 87 4.591 -3.143 5.533 1.00 0.34 C ATOM 1090 O LYS A 87 5.717 -3.204 6.023 1.00 0.38 O ATOM 1091 CB LYS A 87 3.331 -1.095 6.310 1.00 0.41 C ATOM 1092 CG LYS A 87 2.641 -2.037 7.287 1.00 0.49 C ATOM 1093 CD LYS A 87 2.357 -1.354 8.616 1.00 0.69 C ATOM 1094 CE LYS A 87 3.619 -1.206 9.455 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.342 -1.387 10.904 1.00 1.15 N ATOM 0 H LYS A 87 2.095 -1.711 4.256 1.00 0.29 H new ATOM 0 HA LYS A 87 4.827 -1.168 4.772 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.084 -0.521 6.850 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.597 -0.383 5.933 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.707 -2.392 6.853 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.268 -2.913 7.454 1.00 0.49 H new ATOM 0 HD2 LYS A 87 1.924 -0.371 8.434 1.00 0.69 H new ATOM 0 HD3 LYS A 87 1.617 -1.931 9.171 1.00 0.69 H new ATOM 0 HE2 LYS A 87 4.358 -1.939 9.132 1.00 1.08 H new ATOM 0 HE3 LYS A 87 4.053 -0.220 9.288 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 4.225 -1.279 11.442 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.655 -0.672 11.218 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 2.951 -2.337 11.067 1.00 1.15 H new ATOM 1109 N LYS A 88 3.840 -4.225 5.313 1.00 0.35 N ATOM 1110 CA LYS A 88 4.303 -5.559 5.684 1.00 0.39 C ATOM 1111 C LYS A 88 5.483 -5.984 4.815 1.00 0.41 C ATOM 1112 O LYS A 88 6.466 -6.539 5.309 1.00 0.46 O ATOM 1113 CB LYS A 88 3.169 -6.578 5.556 1.00 0.42 C ATOM 1114 CG LYS A 88 3.316 -7.764 6.497 1.00 0.73 C ATOM 1115 CD LYS A 88 2.273 -8.836 6.216 1.00 1.26 C ATOM 1116 CE LYS A 88 1.542 -9.255 7.483 1.00 1.68 C ATOM 1117 NZ LYS A 88 1.384 -10.731 7.572 1.00 2.46 N ATOM 0 H LYS A 88 2.915 -4.202 4.883 1.00 0.35 H new ATOM 0 HA LYS A 88 4.629 -5.524 6.723 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.219 -6.081 5.755 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.130 -6.941 4.529 1.00 0.42 H new ATOM 0 HG2 LYS A 88 4.314 -8.190 6.393 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.221 -7.425 7.528 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.554 -8.462 5.488 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.756 -9.705 5.770 1.00 1.26 H new ATOM 0 HE2 LYS A 88 2.091 -8.896 8.354 1.00 1.68 H new ATOM 0 HE3 LYS A 88 0.560 -8.783 7.508 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 0.881 -10.974 8.449 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 0.839 -11.072 6.755 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 2.322 -11.181 7.574 1.00 2.46 H new ATOM 1131 N ARG A 89 5.385 -5.717 3.518 1.00 0.40 N ATOM 1132 CA ARG A 89 6.458 -6.045 2.587 1.00 0.44 C ATOM 1133 C ARG A 89 7.666 -5.144 2.823 1.00 0.43 C ATOM 1134 O ARG A 89 8.811 -5.555 2.623 1.00 0.48 O ATOM 1135 CB ARG A 89 5.972 -5.896 1.146 1.00 0.47 C ATOM 1136 CG ARG A 89 5.512 -7.202 0.515 1.00 0.68 C ATOM 1137 CD ARG A 89 4.555 -6.956 -0.640 1.00 0.64 C ATOM 1138 NE ARG A 89 4.998 -7.603 -1.880 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.197 -7.808 -2.930 1.00 0.78 C ATOM 1140 NH1 ARG A 89 2.977 -7.290 -2.940 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.636 -8.479 -3.992 1.00 1.03 N ATOM 0 H ARG A 89 4.573 -5.274 3.087 1.00 0.40 H new ATOM 0 HA ARG A 89 6.755 -7.080 2.757 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.149 -5.182 1.122 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.776 -5.475 0.543 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.378 -7.760 0.159 1.00 0.68 H new ATOM 0 HG3 ARG A 89 5.023 -7.819 1.269 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.565 -7.327 -0.373 1.00 0.64 H new ATOM 0 HD3 ARG A 89 4.459 -5.883 -0.807 1.00 0.64 H new ATOM 0 HE ARG A 89 5.968 -7.912 -1.944 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.651 -6.736 -2.148 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.364 -7.445 -3.740 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.590 -8.841 -4.008 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.019 -8.632 -4.790 1.00 1.03 H new ATOM 1155 N LEU A 90 7.393 -3.916 3.248 1.00 0.40 N ATOM 1156 CA LEU A 90 8.440 -2.942 3.540 1.00 0.41 C ATOM 1157 C LEU A 90 9.255 -3.357 4.759 1.00 0.44 C ATOM 1158 O LEU A 90 10.480 -3.464 4.692 1.00 0.49 O ATOM 1159 CB LEU A 90 7.822 -1.565 3.791 1.00 0.39 C ATOM 1160 CG LEU A 90 7.709 -0.668 2.561 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.731 0.468 2.820 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.076 -0.122 2.171 1.00 0.45 C ATOM 0 H LEU A 90 6.446 -3.568 3.399 1.00 0.40 H new ATOM 0 HA LEU A 90 9.103 -2.897 2.676 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.826 -1.703 4.213 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.418 -1.049 4.544 1.00 0.39 H new ATOM 0 HG LEU A 90 7.330 -1.265 1.731 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.662 1.098 1.933 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.748 0.057 3.050 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.081 1.064 3.663 1.00 0.38 H new ATOM 0 HD21 LEU A 90 8.976 0.515 1.292 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.484 0.460 2.997 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.747 -0.950 1.944 1.00 0.45 H new ATOM 1174 N GLU A 91 8.565 -3.601 5.869 1.00 0.45 N ATOM 1175 CA GLU A 91 9.225 -3.913 7.135 1.00 0.50 C ATOM 1176 C GLU A 91 9.984 -5.235 7.054 1.00 0.54 C ATOM 1177 O GLU A 91 10.970 -5.442 7.762 1.00 0.64 O ATOM 1178 CB GLU A 91 8.200 -3.966 8.274 1.00 0.53 C ATOM 1179 CG GLU A 91 7.158 -5.064 8.118 1.00 0.76 C ATOM 1180 CD GLU A 91 6.195 -5.139 9.284 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.269 -4.273 10.176 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.349 -6.060 9.313 1.00 1.39 O ATOM 0 H GLU A 91 7.546 -3.589 5.919 1.00 0.45 H new ATOM 0 HA GLU A 91 9.944 -3.120 7.339 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.727 -4.111 9.217 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.692 -3.004 8.337 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.595 -4.895 7.200 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.663 -6.024 8.010 1.00 0.76 H new ATOM 1189 N ASN A 92 9.527 -6.116 6.177 1.00 0.51 N ATOM 1190 CA ASN A 92 10.135 -7.432 6.029 1.00 0.57 C ATOM 1191 C ASN A 92 11.159 -7.444 4.902 1.00 0.60 C ATOM 1192 O ASN A 92 11.630 -8.512 4.514 1.00 0.68 O ATOM 1193 CB ASN A 92 9.062 -8.481 5.753 1.00 0.60 C ATOM 1194 CG ASN A 92 8.611 -9.205 7.007 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.358 -9.995 7.589 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.381 -8.946 7.428 1.00 1.30 N ATOM 0 H ASN A 92 8.736 -5.944 5.556 1.00 0.51 H new ATOM 0 HA ASN A 92 10.645 -7.669 6.963 1.00 0.57 H new ATOM 0 HB2 ASN A 92 8.202 -8.000 5.287 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.447 -9.208 5.038 1.00 0.60 H new ATOM 0 HD21 ASN A 92 7.020 -9.407 8.263 1.00 1.30 H new ATOM 0 HD22 ASN A 92 6.796 -8.285 6.917 1.00 1.30 H new ATOM 1203 N ASN A 93 11.494 -6.245 4.399 1.00 0.58 N ATOM 1204 CA ASN A 93 12.427 -6.060 3.271 1.00 0.62 C ATOM 1205 C ASN A 93 12.266 -7.157 2.218 1.00 0.66 C ATOM 1206 O ASN A 93 13.223 -7.831 1.839 1.00 0.77 O ATOM 1207 CB ASN A 93 13.895 -5.948 3.743 1.00 0.70 C ATOM 1208 CG ASN A 93 14.302 -6.966 4.791 1.00 0.87 C ATOM 1209 OD1 ASN A 93 14.592 -8.120 4.485 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.349 -6.532 6.042 1.00 1.22 N ATOM 0 H ASN A 93 11.123 -5.368 4.765 1.00 0.58 H new ATOM 0 HA ASN A 93 12.166 -5.111 2.802 1.00 0.62 H new ATOM 0 HB2 ASN A 93 14.550 -6.055 2.878 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.058 -4.948 4.145 1.00 0.70 H new ATOM 0 HD21 ASN A 93 14.634 -7.164 6.791 1.00 1.22 H new ATOM 0 HD22 ASN A 93 14.101 -5.566 6.256 1.00 1.22 H new ATOM 1217 N TYR A 94 11.033 -7.305 1.743 1.00 0.61 N ATOM 1218 CA TYR A 94 10.675 -8.354 0.801 1.00 0.67 C ATOM 1219 C TYR A 94 11.359 -8.170 -0.547 1.00 0.70 C ATOM 1220 O TYR A 94 12.283 -8.900 -0.900 1.00 0.79 O ATOM 1221 CB TYR A 94 9.167 -8.353 0.595 1.00 0.71 C ATOM 1222 CG TYR A 94 8.668 -9.438 -0.330 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.023 -10.757 -0.110 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.841 -9.150 -1.409 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.575 -11.764 -0.937 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.382 -10.154 -2.243 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.745 -11.405 -2.063 1.00 0.85 C ATOM 1228 OH TYR A 94 7.300 -12.476 -2.812 1.00 0.96 O ATOM 0 H TYR A 94 10.255 -6.699 2.002 1.00 0.61 H new ATOM 0 HA TYR A 94 11.008 -9.303 1.221 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.679 -8.464 1.563 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.867 -7.384 0.196 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.663 -11.002 0.725 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.552 -8.127 -1.599 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.838 -12.794 -0.748 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.715 -9.906 -3.055 1.00 0.81 H new ATOM 0 HH TYR A 94 6.746 -12.150 -3.552 1.00 0.96 H new ATOM 1238 N TYR A 95 10.882 -7.193 -1.299 1.00 0.77 N ATOM 1239 CA TYR A 95 11.331 -7.003 -2.672 1.00 0.88 C ATOM 1240 C TYR A 95 12.462 -5.985 -2.783 1.00 0.75 C ATOM 1241 O TYR A 95 12.477 -5.175 -3.712 1.00 1.04 O ATOM 1242 CB TYR A 95 10.174 -6.609 -3.601 1.00 1.17 C ATOM 1243 CG TYR A 95 9.070 -5.772 -2.976 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.381 -4.817 -2.017 1.00 1.05 C ATOM 1245 CD2 TYR A 95 7.731 -5.936 -3.322 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.400 -4.050 -1.426 1.00 1.09 C ATOM 1247 CE2 TYR A 95 6.743 -5.167 -2.733 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.012 -4.255 -1.875 1.00 1.04 C ATOM 1249 OH TYR A 95 6.113 -3.450 -1.199 1.00 1.28 O ATOM 0 H TYR A 95 10.185 -6.518 -0.985 1.00 0.77 H new ATOM 0 HA TYR A 95 11.721 -7.969 -2.994 1.00 0.88 H new ATOM 0 HB2 TYR A 95 10.585 -6.058 -4.447 1.00 1.17 H new ATOM 0 HB3 TYR A 95 9.729 -7.520 -4.001 1.00 1.17 H new ATOM 0 HD1 TYR A 95 10.412 -4.672 -1.729 1.00 1.05 H new ATOM 0 HD2 TYR A 95 7.460 -6.675 -4.061 1.00 0.92 H new ATOM 0 HE1 TYR A 95 8.640 -3.325 -0.662 1.00 1.09 H new ATOM 0 HE2 TYR A 95 5.713 -5.341 -3.005 1.00 0.96 H new ATOM 0 HH TYR A 95 5.198 -3.727 -1.417 1.00 1.28 H new ATOM 1259 N TRP A 96 13.384 -6.025 -1.819 1.00 0.72 N ATOM 1260 CA TRP A 96 14.651 -5.285 -1.895 1.00 0.65 C ATOM 1261 C TRP A 96 14.477 -3.769 -1.737 1.00 0.61 C ATOM 1262 O TRP A 96 14.937 -3.183 -0.759 1.00 0.64 O ATOM 1263 CB TRP A 96 15.350 -5.589 -3.226 1.00 0.68 C ATOM 1264 CG TRP A 96 16.847 -5.570 -3.158 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.639 -4.521 -2.794 1.00 0.70 C ATOM 1266 CD2 TRP A 96 17.733 -6.644 -3.489 1.00 0.82 C ATOM 1267 NE1 TRP A 96 18.963 -4.884 -2.868 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.046 -6.179 -3.296 1.00 0.86 C ATOM 1269 CE3 TRP A 96 17.546 -7.955 -3.927 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.163 -6.975 -3.529 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 18.654 -8.745 -4.158 1.00 1.03 C ATOM 1272 CH2 TRP A 96 19.949 -8.253 -3.960 1.00 1.05 C ATOM 0 H TRP A 96 13.276 -6.570 -0.963 1.00 0.72 H new ATOM 0 HA TRP A 96 15.262 -5.621 -1.057 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.027 -6.569 -3.576 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.023 -4.861 -3.969 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.279 -3.548 -2.492 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.755 -4.284 -2.640 1.00 0.79 H new ATOM 0 HE3 TRP A 96 16.551 -8.345 -4.083 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.163 -6.596 -3.375 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 18.519 -9.761 -4.498 1.00 1.03 H new ATOM 0 HH2 TRP A 96 20.795 -8.896 -4.152 1.00 1.05 H new ATOM 1283 N SER A 97 13.815 -3.140 -2.696 1.00 0.60 N ATOM 1284 CA SER A 97 13.807 -1.689 -2.786 1.00 0.56 C ATOM 1285 C SER A 97 12.384 -1.126 -2.809 1.00 0.54 C ATOM 1286 O SER A 97 11.422 -1.836 -3.116 1.00 0.55 O ATOM 1287 CB SER A 97 14.579 -1.274 -4.042 1.00 0.58 C ATOM 1288 OG SER A 97 14.033 -0.111 -4.647 1.00 1.00 O ATOM 0 H SER A 97 13.277 -3.612 -3.423 1.00 0.60 H new ATOM 0 HA SER A 97 14.289 -1.277 -1.899 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.622 -1.091 -3.782 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.569 -2.094 -4.760 1.00 0.58 H new ATOM 0 HG SER A 97 14.678 0.259 -5.285 1.00 1.00 H new ATOM 1294 N ALA A 98 12.262 0.167 -2.502 1.00 0.54 N ATOM 1295 CA ALA A 98 10.970 0.841 -2.475 1.00 0.56 C ATOM 1296 C ALA A 98 10.444 1.073 -3.885 1.00 0.52 C ATOM 1297 O ALA A 98 9.272 1.406 -4.073 1.00 0.53 O ATOM 1298 CB ALA A 98 11.071 2.161 -1.731 1.00 0.66 C ATOM 0 H ALA A 98 13.051 0.769 -2.267 1.00 0.54 H new ATOM 0 HA ALA A 98 10.267 0.194 -1.949 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.096 2.649 -1.722 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.395 1.977 -0.706 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.795 2.805 -2.230 1.00 0.66 H new ATOM 1304 N SER A 99 11.306 0.889 -4.878 1.00 0.52 N ATOM 1305 CA SER A 99 10.894 0.982 -6.272 1.00 0.54 C ATOM 1306 C SER A 99 9.886 -0.121 -6.588 1.00 0.48 C ATOM 1307 O SER A 99 9.043 0.018 -7.474 1.00 0.50 O ATOM 1308 CB SER A 99 12.110 0.882 -7.197 1.00 0.62 C ATOM 1309 OG SER A 99 12.850 2.092 -7.195 1.00 0.85 O ATOM 0 H SER A 99 12.294 0.675 -4.743 1.00 0.52 H new ATOM 0 HA SER A 99 10.420 1.949 -6.438 1.00 0.54 H new ATOM 0 HB2 SER A 99 12.749 0.060 -6.876 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.782 0.653 -8.211 1.00 0.62 H new ATOM 0 HG SER A 99 13.090 2.327 -6.274 1.00 0.85 H new ATOM 1315 N GLU A 100 9.974 -1.210 -5.833 1.00 0.46 N ATOM 1316 CA GLU A 100 9.041 -2.320 -5.959 1.00 0.48 C ATOM 1317 C GLU A 100 7.766 -2.032 -5.176 1.00 0.44 C ATOM 1318 O GLU A 100 6.689 -2.526 -5.510 1.00 0.52 O ATOM 1319 CB GLU A 100 9.699 -3.599 -5.451 1.00 0.56 C ATOM 1320 CG GLU A 100 10.735 -4.158 -6.408 1.00 1.03 C ATOM 1321 CD GLU A 100 10.268 -5.413 -7.108 1.00 1.83 C ATOM 1322 OE1 GLU A 100 9.042 -5.638 -7.169 1.00 2.37 O ATOM 1323 OE2 GLU A 100 11.122 -6.180 -7.599 1.00 2.44 O ATOM 0 H GLU A 100 10.691 -1.347 -5.120 1.00 0.46 H new ATOM 0 HA GLU A 100 8.776 -2.447 -7.009 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.172 -3.400 -4.489 1.00 0.56 H new ATOM 0 HB3 GLU A 100 8.930 -4.352 -5.278 1.00 0.56 H new ATOM 0 HG2 GLU A 100 10.980 -3.401 -7.153 1.00 1.03 H new ATOM 0 HG3 GLU A 100 11.652 -4.373 -5.859 1.00 1.03 H new ATOM 1330 N CYS A 101 7.902 -1.209 -4.144 1.00 0.41 N ATOM 1331 CA CYS A 101 6.777 -0.824 -3.301 1.00 0.44 C ATOM 1332 C CYS A 101 5.882 0.178 -4.024 1.00 0.38 C ATOM 1333 O CYS A 101 4.698 0.315 -3.713 1.00 0.38 O ATOM 1334 CB CYS A 101 7.285 -0.226 -1.989 1.00 0.57 C ATOM 1335 SG CYS A 101 6.319 -0.696 -0.541 1.00 0.95 S ATOM 0 H CYS A 101 8.791 -0.791 -3.869 1.00 0.41 H new ATOM 0 HA CYS A 101 6.189 -1.715 -3.080 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.319 -0.535 -1.838 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.286 0.861 -2.074 1.00 0.57 H new ATOM 0 HG CYS A 101 6.065 -1.970 -0.584 1.00 0.95 H new ATOM 1341 N MET A 102 6.456 0.876 -5.000 1.00 0.39 N ATOM 1342 CA MET A 102 5.701 1.818 -5.816 1.00 0.44 C ATOM 1343 C MET A 102 4.587 1.091 -6.562 1.00 0.36 C ATOM 1344 O MET A 102 3.515 1.647 -6.799 1.00 0.39 O ATOM 1345 CB MET A 102 6.627 2.529 -6.809 1.00 0.58 C ATOM 1346 CG MET A 102 6.309 4.006 -6.990 1.00 0.75 C ATOM 1347 SD MET A 102 7.674 4.933 -7.726 1.00 1.02 S ATOM 1348 CE MET A 102 8.744 5.161 -6.304 1.00 1.13 C ATOM 0 H MET A 102 7.444 0.806 -5.244 1.00 0.39 H new ATOM 0 HA MET A 102 5.256 2.567 -5.161 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.657 2.427 -6.469 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.560 2.031 -7.776 1.00 0.58 H new ATOM 0 HG2 MET A 102 5.426 4.108 -7.620 1.00 0.75 H new ATOM 0 HG3 MET A 102 6.061 4.441 -6.022 1.00 0.75 H new ATOM 0 HE1 MET A 102 9.053 6.205 -6.245 1.00 1.13 H new ATOM 0 HE2 MET A 102 8.205 4.890 -5.396 1.00 1.13 H new ATOM 0 HE3 MET A 102 9.625 4.527 -6.406 1.00 1.13 H new ATOM 1358 N GLN A 103 4.846 -0.168 -6.900 1.00 0.34 N ATOM 1359 CA GLN A 103 3.864 -1.000 -7.581 1.00 0.36 C ATOM 1360 C GLN A 103 2.751 -1.394 -6.621 1.00 0.30 C ATOM 1361 O GLN A 103 1.582 -1.434 -6.997 1.00 0.31 O ATOM 1362 CB GLN A 103 4.525 -2.260 -8.146 1.00 0.43 C ATOM 1363 CG GLN A 103 5.088 -2.083 -9.547 1.00 1.36 C ATOM 1364 CD GLN A 103 6.508 -1.560 -9.536 1.00 2.17 C ATOM 1365 OE1 GLN A 103 6.743 -0.365 -9.703 1.00 2.70 O ATOM 1366 NE2 GLN A 103 7.466 -2.452 -9.339 1.00 2.96 N ATOM 0 H GLN A 103 5.733 -0.635 -6.712 1.00 0.34 H new ATOM 0 HA GLN A 103 3.441 -0.424 -8.404 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.329 -2.568 -7.478 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.794 -3.068 -8.158 1.00 0.43 H new ATOM 0 HG2 GLN A 103 5.060 -3.039 -10.070 1.00 1.36 H new ATOM 0 HG3 GLN A 103 4.454 -1.394 -10.106 1.00 1.36 H new ATOM 0 HE21 GLN A 103 7.228 -3.435 -9.205 1.00 2.96 H new ATOM 0 HE22 GLN A 103 8.442 -2.157 -9.322 1.00 2.96 H new ATOM 1375 N ASP A 104 3.125 -1.666 -5.377 1.00 0.30 N ATOM 1376 CA ASP A 104 2.166 -2.091 -4.358 1.00 0.32 C ATOM 1377 C ASP A 104 1.210 -0.958 -4.021 1.00 0.29 C ATOM 1378 O ASP A 104 -0.009 -1.138 -4.027 1.00 0.31 O ATOM 1379 CB ASP A 104 2.894 -2.533 -3.093 1.00 0.48 C ATOM 1380 CG ASP A 104 2.865 -4.032 -2.893 1.00 0.88 C ATOM 1381 OD1 ASP A 104 2.062 -4.713 -3.562 1.00 1.87 O ATOM 1382 OD2 ASP A 104 3.649 -4.530 -2.058 1.00 1.09 O ATOM 0 H ASP A 104 4.088 -1.600 -5.046 1.00 0.30 H new ATOM 0 HA ASP A 104 1.598 -2.931 -4.757 1.00 0.32 H new ATOM 0 HB2 ASP A 104 3.930 -2.197 -3.140 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.440 -2.047 -2.229 1.00 0.48 H new ATOM 1387 N PHE A 105 1.778 0.210 -3.736 1.00 0.30 N ATOM 1388 CA PHE A 105 0.990 1.404 -3.446 1.00 0.33 C ATOM 1389 C PHE A 105 0.031 1.693 -4.590 1.00 0.32 C ATOM 1390 O PHE A 105 -1.142 1.998 -4.374 1.00 0.38 O ATOM 1391 CB PHE A 105 1.912 2.607 -3.239 1.00 0.38 C ATOM 1392 CG PHE A 105 1.912 3.151 -1.838 1.00 0.32 C ATOM 1393 CD1 PHE A 105 0.880 3.965 -1.403 1.00 0.36 C ATOM 1394 CD2 PHE A 105 2.935 2.843 -0.953 1.00 0.32 C ATOM 1395 CE1 PHE A 105 0.868 4.466 -0.117 1.00 0.35 C ATOM 1396 CE2 PHE A 105 2.929 3.342 0.335 1.00 0.33 C ATOM 1397 CZ PHE A 105 1.927 4.159 0.750 1.00 0.33 C ATOM 0 H PHE A 105 2.787 0.355 -3.700 1.00 0.30 H new ATOM 0 HA PHE A 105 0.418 1.227 -2.535 1.00 0.33 H new ATOM 0 HB2 PHE A 105 2.929 2.321 -3.505 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.615 3.400 -3.925 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.074 4.211 -2.079 1.00 0.36 H new ATOM 0 HD2 PHE A 105 3.745 2.206 -1.275 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.051 5.088 0.218 1.00 0.35 H new ATOM 0 HE2 PHE A 105 3.726 3.081 1.016 1.00 0.33 H new ATOM 0 HZ PHE A 105 1.945 4.572 1.748 1.00 0.33 H new ATOM 1407 N ASN A 106 0.543 1.581 -5.811 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.263 1.786 -7.005 1.00 0.34 C ATOM 1409 C ASN A 106 -1.411 0.785 -7.048 1.00 0.32 C ATOM 1410 O ASN A 106 -2.565 1.170 -7.224 1.00 0.38 O ATOM 1411 CB ASN A 106 0.598 1.651 -8.263 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.163 2.000 -9.527 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.727 3.090 -9.646 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.179 1.081 -10.479 1.00 0.97 N ATOM 0 H ASN A 106 1.518 1.348 -5.998 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.676 2.794 -6.971 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.468 2.301 -8.175 1.00 0.36 H new ATOM 0 HB3 ASN A 106 0.970 0.629 -8.337 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.672 1.261 -11.354 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.301 0.192 -10.338 1.00 0.97 H new ATOM 1421 N THR A 107 -1.081 -0.492 -6.856 1.00 0.29 N ATOM 1422 CA THR A 107 -2.071 -1.565 -6.862 1.00 0.30 C ATOM 1423 C THR A 107 -3.185 -1.297 -5.850 1.00 0.26 C ATOM 1424 O THR A 107 -4.364 -1.333 -6.202 1.00 0.27 O ATOM 1425 CB THR A 107 -1.420 -2.933 -6.564 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.377 -3.193 -7.516 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.448 -4.056 -6.619 1.00 0.39 C ATOM 0 H THR A 107 -0.125 -0.809 -6.693 1.00 0.29 H new ATOM 0 HA THR A 107 -2.503 -1.593 -7.862 1.00 0.30 H new ATOM 0 HB THR A 107 -1.003 -2.897 -5.558 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.365 -2.570 -7.367 1.00 0.43 H new ATOM 0 HG21 THR A 107 -1.960 -5.007 -6.405 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.227 -3.873 -5.878 1.00 0.39 H new ATOM 0 HG23 THR A 107 -2.894 -4.093 -7.613 1.00 0.39 H new ATOM 1435 N MET A 108 -2.800 -1.002 -4.608 1.00 0.26 N ATOM 1436 CA MET A 108 -3.759 -0.694 -3.549 1.00 0.26 C ATOM 1437 C MET A 108 -4.713 0.423 -3.976 1.00 0.24 C ATOM 1438 O MET A 108 -5.917 0.361 -3.717 1.00 0.27 O ATOM 1439 CB MET A 108 -3.018 -0.297 -2.265 1.00 0.32 C ATOM 1440 CG MET A 108 -3.825 0.600 -1.334 1.00 0.62 C ATOM 1441 SD MET A 108 -2.794 1.425 -0.108 1.00 0.88 S ATOM 1442 CE MET A 108 -2.765 3.094 -0.752 1.00 0.83 C ATOM 0 H MET A 108 -1.825 -0.970 -4.311 1.00 0.26 H new ATOM 0 HA MET A 108 -4.351 -1.589 -3.357 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.736 -1.202 -1.726 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.094 0.215 -2.535 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.353 1.349 -1.924 1.00 0.62 H new ATOM 0 HG3 MET A 108 -4.582 0.003 -0.825 1.00 0.62 H new ATOM 0 HE1 MET A 108 -2.163 3.726 -0.099 1.00 0.83 H new ATOM 0 HE2 MET A 108 -2.332 3.091 -1.752 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.782 3.484 -0.798 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.177 1.435 -4.646 1.00 0.22 N ATOM 1453 CA PHE A 109 -4.982 2.565 -5.083 1.00 0.23 C ATOM 1454 C PHE A 109 -5.975 2.143 -6.167 1.00 0.23 C ATOM 1455 O PHE A 109 -7.146 2.523 -6.118 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.083 3.704 -5.577 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.677 4.655 -4.481 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.632 5.297 -3.703 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.338 4.912 -4.236 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.255 6.174 -2.702 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.957 5.788 -3.237 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.939 6.405 -2.449 1.00 0.22 C ATOM 0 H PHE A 109 -3.190 1.495 -4.898 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.555 2.927 -4.229 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.188 3.281 -6.032 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.605 4.259 -6.356 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.680 5.109 -3.882 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.583 4.422 -4.833 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -5.010 6.678 -2.118 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.911 5.996 -3.065 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.651 7.063 -1.642 1.00 0.22 H new ATOM 1472 N THR A 110 -5.518 1.344 -7.127 1.00 0.22 N ATOM 1473 CA THR A 110 -6.400 0.842 -8.179 1.00 0.26 C ATOM 1474 C THR A 110 -7.505 -0.024 -7.593 1.00 0.25 C ATOM 1475 O THR A 110 -8.668 0.097 -7.975 1.00 0.27 O ATOM 1476 CB THR A 110 -5.631 0.012 -9.219 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.273 -0.152 -8.811 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.675 0.679 -10.580 1.00 0.66 C ATOM 0 H THR A 110 -4.550 1.031 -7.199 1.00 0.22 H new ATOM 0 HA THR A 110 -6.831 1.716 -8.668 1.00 0.26 H new ATOM 0 HB THR A 110 -6.108 -0.965 -9.292 1.00 0.31 H new ATOM 0 HG1 THR A 110 -4.245 -0.598 -7.939 1.00 0.49 H new ATOM 0 HG21 THR A 110 -5.124 0.074 -11.300 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.711 0.776 -10.905 1.00 0.66 H new ATOM 0 HG23 THR A 110 -5.221 1.668 -10.515 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.120 -0.887 -6.663 1.00 0.24 N ATOM 1487 CA ASN A 111 -8.047 -1.798 -5.989 1.00 0.27 C ATOM 1488 C ASN A 111 -9.298 -1.066 -5.515 1.00 0.26 C ATOM 1489 O ASN A 111 -10.423 -1.509 -5.765 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.364 -2.453 -4.791 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.534 -3.660 -5.171 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.057 -3.777 -6.297 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -6.363 -4.572 -4.230 1.00 1.61 N ATOM 0 H ASN A 111 -6.153 -0.979 -6.351 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.342 -2.561 -6.709 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.725 -1.720 -4.298 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.122 -2.753 -4.067 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.818 -5.411 -4.426 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.776 -4.436 -3.307 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.087 0.060 -4.841 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.176 0.885 -4.337 1.00 0.30 C ATOM 1502 C CYS A 112 -11.115 1.323 -5.462 1.00 0.31 C ATOM 1503 O CYS A 112 -12.332 1.275 -5.315 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.605 2.113 -3.623 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.808 3.015 -2.621 1.00 0.63 S ATOM 0 H CYS A 112 -8.158 0.424 -4.630 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.756 0.288 -3.633 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -8.781 1.797 -2.983 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -9.188 2.791 -4.368 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.199 3.595 -1.629 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.546 1.715 -6.592 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.325 2.281 -7.688 1.00 0.36 C ATOM 1513 C TYR A 113 -12.004 1.196 -8.522 1.00 0.41 C ATOM 1514 O TYR A 113 -12.974 1.460 -9.232 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.428 3.146 -8.570 1.00 0.36 C ATOM 1516 CG TYR A 113 -10.095 4.471 -7.927 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -11.030 5.494 -7.863 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.833 4.704 -7.405 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -10.715 6.712 -7.296 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -8.512 5.916 -6.834 1.00 0.65 C ATOM 1521 CZ TYR A 113 -9.506 6.895 -6.710 1.00 0.66 C ATOM 1522 OH TYR A 113 -9.144 8.131 -6.215 1.00 0.81 O ATOM 0 H TYR A 113 -9.545 1.652 -6.776 1.00 0.32 H new ATOM 0 HA TYR A 113 -12.112 2.899 -7.255 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.505 2.607 -8.784 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.923 3.323 -9.525 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -12.020 5.335 -8.263 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -8.089 3.923 -7.446 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -11.432 7.520 -7.319 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -7.508 6.109 -6.487 1.00 0.65 H new ATOM 0 HH TYR A 113 -8.245 8.078 -5.829 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.484 -0.022 -8.444 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.063 -1.145 -9.175 1.00 0.43 C ATOM 1534 C ILE A 114 -13.170 -1.803 -8.364 1.00 0.47 C ATOM 1535 O ILE A 114 -14.281 -2.009 -8.858 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.000 -2.209 -9.519 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.863 -1.589 -10.333 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.627 -3.372 -10.284 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.607 -2.432 -10.356 1.00 0.44 C ATOM 0 H ILE A 114 -10.665 -0.259 -7.884 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.472 -0.742 -10.101 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.589 -2.593 -8.585 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.204 -1.431 -11.356 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.625 -0.608 -9.921 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.860 -4.110 -10.516 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.402 -3.834 -9.672 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.068 -3.003 -11.210 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.843 -1.931 -10.951 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.242 -2.569 -9.338 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.829 -3.404 -10.795 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.863 -2.128 -7.116 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.812 -2.814 -6.255 1.00 0.51 C ATOM 1553 C TYR A 115 -14.914 -1.867 -5.806 1.00 0.52 C ATOM 1554 O TYR A 115 -16.090 -2.227 -5.806 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.101 -3.400 -5.030 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.043 -4.002 -4.010 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.844 -5.089 -4.333 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.124 -3.488 -2.723 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.697 -5.648 -3.402 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -14.974 -4.041 -1.788 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.788 -5.094 -2.141 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.608 -5.677 -1.197 1.00 1.22 O ATOM 0 H TYR A 115 -11.964 -1.927 -6.678 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.259 -3.627 -6.828 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.399 -4.166 -5.360 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.515 -2.616 -4.551 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.799 -5.504 -5.329 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -13.512 -2.642 -2.449 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -16.289 -6.514 -3.659 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.001 -3.649 -0.782 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.067 -4.978 -0.686 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.531 -0.656 -5.442 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.478 0.298 -4.883 1.00 0.41 C ATOM 1574 C ASN A 116 -15.927 1.292 -5.940 1.00 0.45 C ATOM 1575 O ASN A 116 -15.281 1.451 -6.977 1.00 0.64 O ATOM 1576 CB ASN A 116 -14.866 1.051 -3.696 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.386 0.129 -2.591 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.181 -0.552 -1.942 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.080 0.114 -2.362 1.00 0.88 N ATOM 0 H ASN A 116 -13.575 -0.309 -5.522 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.343 -0.265 -4.532 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.029 1.653 -4.048 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -15.606 1.741 -3.290 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.698 -0.478 -1.624 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.457 0.694 -2.924 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.043 1.954 -5.676 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.566 2.965 -6.577 1.00 0.53 C ATOM 1588 C LYS A 117 -16.863 4.293 -6.328 1.00 0.52 C ATOM 1589 O LYS A 117 -16.477 4.588 -5.198 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.076 3.126 -6.375 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.915 2.354 -7.380 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.392 3.247 -8.517 1.00 1.82 C ATOM 1593 CE LYS A 117 -21.851 2.989 -8.859 1.00 2.62 C ATOM 1594 NZ LYS A 117 -22.307 3.821 -10.003 1.00 3.47 N ATOM 0 H LYS A 117 -17.606 1.806 -4.838 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.382 2.650 -7.604 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.336 2.796 -5.369 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.331 4.184 -6.439 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -19.329 1.529 -7.786 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -20.776 1.916 -6.875 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.263 4.293 -8.237 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -19.775 3.074 -9.399 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -21.987 1.935 -9.100 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -22.471 3.199 -7.987 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -23.306 3.616 -10.205 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -22.202 4.828 -9.764 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -21.732 3.603 -10.842 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.687 5.117 -7.373 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.044 6.436 -7.249 1.00 0.68 C ATOM 1610 C PRO A 118 -16.822 7.379 -6.331 1.00 0.70 C ATOM 1611 O PRO A 118 -16.322 8.427 -5.923 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.037 6.972 -8.685 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.079 6.187 -9.403 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.080 4.831 -8.765 1.00 0.68 C ATOM 0 HA PRO A 118 -15.051 6.361 -6.805 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.262 8.038 -8.708 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.059 6.843 -9.148 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -18.056 6.662 -9.315 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -16.853 6.118 -10.467 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.062 4.361 -8.818 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -16.377 4.156 -9.252 1.00 0.68 H new ATOM 1622 N THR A 119 -18.045 6.994 -6.014 1.00 0.67 N ATOM 1623 CA THR A 119 -18.902 7.778 -5.148 1.00 0.77 C ATOM 1624 C THR A 119 -18.952 7.191 -3.733 1.00 0.69 C ATOM 1625 O THR A 119 -19.757 7.618 -2.904 1.00 0.78 O ATOM 1626 CB THR A 119 -20.325 7.832 -5.731 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.392 7.027 -6.923 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.722 9.260 -6.062 1.00 1.23 C ATOM 0 H THR A 119 -18.470 6.130 -6.350 1.00 0.67 H new ATOM 0 HA THR A 119 -18.488 8.784 -5.088 1.00 0.77 H new ATOM 0 HB THR A 119 -21.017 7.444 -4.983 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.300 7.062 -7.291 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.732 9.271 -6.472 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.692 9.865 -5.156 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.028 9.670 -6.795 1.00 1.23 H new ATOM 1636 N ASP A 120 -18.090 6.215 -3.463 1.00 0.59 N ATOM 1637 CA ASP A 120 -18.075 5.546 -2.166 1.00 0.59 C ATOM 1638 C ASP A 120 -17.214 6.310 -1.165 1.00 0.47 C ATOM 1639 O ASP A 120 -16.391 7.148 -1.542 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.556 4.111 -2.303 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.251 3.142 -1.359 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -18.394 3.467 -0.159 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.654 2.052 -1.814 1.00 1.19 O ATOM 0 H ASP A 120 -17.394 5.870 -4.124 1.00 0.59 H new ATOM 0 HA ASP A 120 -19.100 5.520 -1.796 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.697 3.775 -3.330 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.484 4.097 -2.107 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.397 5.980 0.105 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.697 6.641 1.207 1.00 0.51 C ATOM 1650 C ASP A 121 -15.194 6.444 1.092 1.00 0.39 C ATOM 1651 O ASP A 121 -14.412 7.383 1.240 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.165 6.063 2.545 1.00 0.70 C ATOM 1653 CG ASP A 121 -18.151 6.953 3.275 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -17.904 8.170 3.379 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -19.180 6.430 3.753 1.00 1.44 O ATOM 0 H ASP A 121 -18.036 5.244 0.406 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.924 7.706 1.157 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.625 5.090 2.371 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.297 5.895 3.183 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.807 5.207 0.811 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.404 4.822 0.772 1.00 0.27 C ATOM 1662 C ILE A 122 -12.682 5.454 -0.421 1.00 0.25 C ATOM 1663 O ILE A 122 -11.510 5.827 -0.326 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.269 3.280 0.733 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.802 2.858 0.654 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.062 2.697 -0.426 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.244 2.410 1.984 1.00 0.42 C ATOM 0 H ILE A 122 -15.454 4.446 0.605 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.931 5.194 1.681 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.682 2.884 1.661 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.701 2.047 -0.068 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.209 3.693 0.280 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.952 1.613 -0.433 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.115 2.954 -0.312 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.688 3.106 -1.365 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.199 2.123 1.862 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.315 3.227 2.702 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.815 1.556 2.349 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.387 5.597 -1.537 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.804 6.195 -2.728 1.00 0.25 C ATOM 1681 C VAL A 123 -12.606 7.691 -2.519 1.00 0.24 C ATOM 1682 O VAL A 123 -11.625 8.273 -2.993 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.679 5.949 -3.977 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.514 7.075 -4.986 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.334 4.611 -4.609 1.00 0.32 C ATOM 0 H VAL A 123 -14.360 5.308 -1.640 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.838 5.720 -2.898 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.723 5.927 -3.664 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.140 6.878 -5.856 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.813 8.019 -4.530 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.471 7.136 -5.296 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -13.959 4.452 -5.488 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.285 4.608 -4.904 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.511 3.812 -3.889 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.532 8.300 -1.785 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.453 9.718 -1.461 1.00 0.31 C ATOM 1697 C LEU A 124 -12.140 10.008 -0.754 1.00 0.29 C ATOM 1698 O LEU A 124 -11.554 11.083 -0.899 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.625 10.116 -0.559 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.473 11.285 -1.061 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.742 11.406 -0.234 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.682 12.583 -1.015 1.00 0.49 C ATOM 0 H LEU A 124 -14.351 7.828 -1.401 1.00 0.27 H new ATOM 0 HA LEU A 124 -13.503 10.297 -2.383 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.273 9.249 -0.430 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.233 10.370 0.426 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.748 11.091 -2.098 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.337 12.242 -0.601 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.319 10.485 -0.317 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.481 11.578 0.810 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.305 13.401 -1.377 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.375 12.786 0.011 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.798 12.493 -1.647 1.00 0.49 H new ATOM 1714 N MET A 125 -11.679 9.020 -0.003 1.00 0.25 N ATOM 1715 CA MET A 125 -10.440 9.129 0.733 1.00 0.26 C ATOM 1716 C MET A 125 -9.247 8.885 -0.179 1.00 0.24 C ATOM 1717 O MET A 125 -8.266 9.625 -0.134 1.00 0.25 O ATOM 1718 CB MET A 125 -10.433 8.130 1.890 1.00 0.35 C ATOM 1719 CG MET A 125 -11.611 8.297 2.836 1.00 0.62 C ATOM 1720 SD MET A 125 -12.069 6.765 3.666 1.00 0.54 S ATOM 1721 CE MET A 125 -12.956 7.417 5.077 1.00 0.62 C ATOM 0 H MET A 125 -12.155 8.125 0.110 1.00 0.25 H new ATOM 0 HA MET A 125 -10.362 10.140 1.133 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.441 7.117 1.487 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.506 8.242 2.452 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.365 9.050 3.585 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.469 8.672 2.277 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.309 6.593 5.697 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.292 8.053 5.662 1.00 0.62 H new ATOM 0 HE3 MET A 125 -13.808 8.002 4.732 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.350 7.860 -1.021 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.262 7.477 -1.919 1.00 0.27 C ATOM 1733 C ALA A 126 -7.802 8.647 -2.788 1.00 0.25 C ATOM 1734 O ALA A 126 -6.614 8.777 -3.085 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.688 6.307 -2.795 1.00 0.31 C ATOM 0 H ALA A 126 -10.182 7.275 -1.101 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.417 7.174 -1.300 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.868 6.032 -3.459 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.946 5.456 -2.165 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.555 6.594 -3.389 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.744 9.497 -3.181 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.436 10.651 -4.023 1.00 0.30 C ATOM 1743 C GLN A 127 -7.507 11.630 -3.308 1.00 0.28 C ATOM 1744 O GLN A 127 -6.568 12.156 -3.903 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.723 11.366 -4.435 1.00 0.38 C ATOM 1746 CG GLN A 127 -10.004 11.315 -5.926 1.00 0.86 C ATOM 1747 CD GLN A 127 -11.447 10.963 -6.228 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -12.279 11.838 -6.465 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.751 9.677 -6.218 1.00 1.62 N ATOM 0 H GLN A 127 -9.729 9.410 -2.931 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.925 10.284 -4.913 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.562 10.919 -3.901 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.664 12.408 -4.122 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.767 12.281 -6.371 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.348 10.580 -6.392 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.030 8.984 -6.017 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.707 9.377 -6.412 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.768 11.864 -2.030 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.956 12.779 -1.242 1.00 0.28 C ATOM 1760 C ALA A 128 -5.652 12.110 -0.825 1.00 0.24 C ATOM 1761 O ALA A 128 -4.597 12.744 -0.777 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.729 13.243 -0.018 1.00 0.32 C ATOM 0 H ALA A 128 -8.536 11.432 -1.517 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.716 13.648 -1.854 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.112 13.927 0.564 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.638 13.754 -0.334 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.992 12.381 0.595 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.742 10.822 -0.531 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.595 10.030 -0.100 1.00 0.17 C ATOM 1770 C LEU A 129 -3.511 10.006 -1.174 1.00 0.17 C ATOM 1771 O LEU A 129 -2.321 10.137 -0.879 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.044 8.596 0.195 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.448 8.285 1.642 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.278 9.409 2.235 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.220 6.978 1.689 1.00 0.33 C ATOM 0 H LEU A 129 -6.613 10.293 -0.584 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.183 10.487 0.800 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.890 8.364 -0.452 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.235 7.922 -0.085 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.541 8.190 2.239 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.549 9.159 3.261 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.699 10.332 2.227 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.183 9.544 1.643 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.505 6.761 2.718 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.116 7.062 1.074 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.594 6.171 1.308 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.936 9.853 -2.424 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.015 9.710 -3.548 1.00 0.22 C ATOM 1789 C GLU A 130 -2.118 10.937 -3.712 1.00 0.20 C ATOM 1790 O GLU A 130 -0.983 10.825 -4.180 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.804 9.465 -4.834 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.981 8.842 -5.946 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.547 9.139 -7.318 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -3.864 10.317 -7.591 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.676 8.199 -8.129 1.00 1.47 O ATOM 0 H GLU A 130 -4.921 9.825 -2.686 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.369 8.857 -3.342 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.650 8.814 -4.612 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.214 10.412 -5.184 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -1.958 9.214 -5.890 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.936 7.763 -5.800 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.619 12.096 -3.301 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.892 13.345 -3.458 1.00 0.28 C ATOM 1804 C LYS A 131 -0.617 13.326 -2.627 1.00 0.25 C ATOM 1805 O LYS A 131 0.411 13.866 -3.036 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.779 14.522 -3.047 1.00 0.37 C ATOM 1807 CG LYS A 131 -4.001 14.697 -3.937 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.332 16.165 -4.155 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.822 16.373 -4.363 1.00 1.56 C ATOM 1810 NZ LYS A 131 -6.131 16.891 -5.723 1.00 2.24 N ATOM 0 H LYS A 131 -3.531 12.194 -2.855 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.617 13.461 -4.506 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.106 14.379 -2.017 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.188 15.438 -3.069 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.822 14.217 -4.899 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -4.856 14.194 -3.484 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -3.999 16.746 -3.295 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -3.787 16.537 -5.022 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -6.344 15.429 -4.208 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.198 17.072 -3.616 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -7.159 17.018 -5.821 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.654 17.805 -5.863 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.796 16.213 -6.437 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.683 12.672 -1.473 1.00 0.28 N ATOM 1825 CA ILE A 132 0.462 12.572 -0.576 1.00 0.33 C ATOM 1826 C ILE A 132 1.476 11.566 -1.108 1.00 0.26 C ATOM 1827 O ILE A 132 2.682 11.715 -0.902 1.00 0.29 O ATOM 1828 CB ILE A 132 0.035 12.159 0.847 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.055 13.101 1.364 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.237 12.157 1.786 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.373 12.916 2.831 1.00 0.59 C ATOM 0 H ILE A 132 -1.522 12.201 -1.135 1.00 0.28 H new ATOM 0 HA ILE A 132 0.919 13.561 -0.528 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.370 11.147 0.812 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -0.742 14.131 1.196 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.963 12.945 0.782 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.917 11.863 2.786 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.982 11.450 1.421 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.671 13.156 1.823 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.154 13.617 3.125 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.718 11.896 3.003 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.477 13.101 3.424 1.00 0.59 H new ATOM 1843 N PHE A 133 0.979 10.553 -1.808 1.00 0.25 N ATOM 1844 CA PHE A 133 1.832 9.512 -2.365 1.00 0.28 C ATOM 1845 C PHE A 133 2.868 10.113 -3.313 1.00 0.26 C ATOM 1846 O PHE A 133 4.068 10.055 -3.048 1.00 0.28 O ATOM 1847 CB PHE A 133 0.983 8.471 -3.095 1.00 0.34 C ATOM 1848 CG PHE A 133 1.795 7.400 -3.760 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.744 6.690 -3.043 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.617 7.113 -5.102 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.502 5.713 -3.655 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.372 6.134 -5.718 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.315 5.435 -4.993 1.00 0.44 C ATOM 0 H PHE A 133 -0.015 10.431 -2.003 1.00 0.25 H new ATOM 0 HA PHE A 133 2.361 9.024 -1.547 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.298 8.009 -2.384 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.373 8.973 -3.846 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.892 6.903 -1.995 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.881 7.660 -5.673 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.241 5.167 -3.087 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.224 5.916 -6.765 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.907 4.670 -5.473 1.00 0.44 H new ATOM 1863 N LEU A 134 2.401 10.734 -4.391 1.00 0.27 N ATOM 1864 CA LEU A 134 3.305 11.334 -5.373 1.00 0.34 C ATOM 1865 C LEU A 134 4.075 12.493 -4.751 1.00 0.34 C ATOM 1866 O LEU A 134 5.202 12.790 -5.143 1.00 0.43 O ATOM 1867 CB LEU A 134 2.537 11.814 -6.610 1.00 0.42 C ATOM 1868 CG LEU A 134 1.184 12.470 -6.332 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.240 13.955 -6.639 1.00 0.64 C ATOM 1870 CD2 LEU A 134 0.093 11.799 -7.149 1.00 0.59 C ATOM 0 H LEU A 134 1.410 10.836 -4.609 1.00 0.27 H new ATOM 0 HA LEU A 134 4.014 10.568 -5.687 1.00 0.34 H new ATOM 0 HB2 LEU A 134 3.162 12.525 -7.150 1.00 0.42 H new ATOM 0 HB3 LEU A 134 2.379 10.962 -7.271 1.00 0.42 H new ATOM 0 HG LEU A 134 0.950 12.346 -5.275 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.269 14.406 -6.435 1.00 0.64 H new ATOM 0 HD12 LEU A 134 1.997 14.428 -6.014 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.494 14.100 -7.689 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.864 12.277 -6.940 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.322 11.894 -8.210 1.00 0.59 H new ATOM 0 HD23 LEU A 134 0.037 10.743 -6.884 1.00 0.59 H new ATOM 1882 N GLN A 135 3.457 13.122 -3.761 1.00 0.29 N ATOM 1883 CA GLN A 135 4.057 14.238 -3.048 1.00 0.35 C ATOM 1884 C GLN A 135 5.359 13.830 -2.366 1.00 0.36 C ATOM 1885 O GLN A 135 6.323 14.589 -2.341 1.00 0.55 O ATOM 1886 CB GLN A 135 3.076 14.756 -2.003 1.00 0.37 C ATOM 1887 CG GLN A 135 2.653 16.196 -2.220 1.00 0.51 C ATOM 1888 CD GLN A 135 3.110 17.107 -1.102 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.536 16.645 -0.043 1.00 1.43 O ATOM 1890 NE2 GLN A 135 3.029 18.406 -1.331 1.00 1.61 N ATOM 0 H GLN A 135 2.525 12.872 -3.430 1.00 0.29 H new ATOM 0 HA GLN A 135 4.285 15.021 -3.771 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.189 14.122 -2.006 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.530 14.665 -1.016 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.061 16.553 -3.166 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.567 16.244 -2.303 1.00 0.51 H new ATOM 0 HE21 GLN A 135 2.670 18.745 -2.223 1.00 1.61 H new ATOM 0 HE22 GLN A 135 3.326 19.069 -0.615 1.00 1.61 H new ATOM 1899 N LYS A 136 5.378 12.633 -1.797 1.00 0.25 N ATOM 1900 CA LYS A 136 6.556 12.150 -1.093 1.00 0.26 C ATOM 1901 C LYS A 136 7.476 11.386 -2.040 1.00 0.23 C ATOM 1902 O LYS A 136 8.686 11.328 -1.834 1.00 0.25 O ATOM 1903 CB LYS A 136 6.139 11.268 0.084 1.00 0.32 C ATOM 1904 CG LYS A 136 6.123 12.002 1.415 1.00 0.54 C ATOM 1905 CD LYS A 136 5.010 13.035 1.479 1.00 0.50 C ATOM 1906 CE LYS A 136 5.526 14.384 1.957 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.766 15.329 0.828 1.00 1.52 N ATOM 0 H LYS A 136 4.594 11.981 -1.809 1.00 0.25 H new ATOM 0 HA LYS A 136 7.107 13.008 -0.708 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.146 10.862 -0.110 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.822 10.421 0.153 1.00 0.32 H new ATOM 0 HG2 LYS A 136 5.998 11.283 2.225 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.084 12.493 1.570 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.558 13.146 0.493 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.226 12.685 2.151 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.806 14.822 2.648 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.453 14.240 2.511 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.427 16.072 1.132 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.173 14.812 0.023 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.866 15.763 0.541 1.00 1.52 H new ATOM 1921 N VAL A 137 6.893 10.817 -3.088 1.00 0.23 N ATOM 1922 CA VAL A 137 7.659 10.104 -4.102 1.00 0.25 C ATOM 1923 C VAL A 137 8.532 11.081 -4.889 1.00 0.30 C ATOM 1924 O VAL A 137 9.636 10.744 -5.312 1.00 0.33 O ATOM 1925 CB VAL A 137 6.729 9.333 -5.067 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.492 8.799 -6.268 1.00 0.35 C ATOM 1927 CG2 VAL A 137 6.037 8.195 -4.337 1.00 0.33 C ATOM 0 H VAL A 137 5.887 10.836 -3.258 1.00 0.23 H new ATOM 0 HA VAL A 137 8.297 9.381 -3.593 1.00 0.25 H new ATOM 0 HB VAL A 137 5.977 10.032 -5.432 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.807 8.263 -6.925 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.941 9.630 -6.812 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.275 8.121 -5.929 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.386 7.661 -5.029 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.785 7.509 -3.941 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.443 8.597 -3.516 1.00 0.33 H new ATOM 1937 N ALA A 138 8.041 12.305 -5.046 1.00 0.34 N ATOM 1938 CA ALA A 138 8.771 13.345 -5.756 1.00 0.43 C ATOM 1939 C ALA A 138 10.049 13.711 -5.016 1.00 0.43 C ATOM 1940 O ALA A 138 10.967 14.303 -5.584 1.00 0.50 O ATOM 1941 CB ALA A 138 7.897 14.575 -5.923 1.00 0.50 C ATOM 0 H ALA A 138 7.133 12.601 -4.688 1.00 0.34 H new ATOM 0 HA ALA A 138 9.041 12.962 -6.740 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.453 15.347 -6.455 1.00 0.50 H new ATOM 0 HB2 ALA A 138 7.005 14.313 -6.492 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.605 14.950 -4.942 1.00 0.50 H new ATOM 1947 N GLN A 139 10.094 13.355 -3.741 1.00 0.39 N ATOM 1948 CA GLN A 139 11.237 13.656 -2.901 1.00 0.43 C ATOM 1949 C GLN A 139 12.098 12.412 -2.683 1.00 0.40 C ATOM 1950 O GLN A 139 13.118 12.463 -1.991 1.00 0.45 O ATOM 1951 CB GLN A 139 10.754 14.208 -1.561 1.00 0.45 C ATOM 1952 CG GLN A 139 9.615 15.204 -1.694 1.00 0.54 C ATOM 1953 CD GLN A 139 10.049 16.625 -1.405 1.00 1.08 C ATOM 1954 OE1 GLN A 139 10.621 17.298 -2.260 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.776 17.094 -0.201 1.00 1.56 N ATOM 0 H GLN A 139 9.344 12.853 -3.265 1.00 0.39 H new ATOM 0 HA GLN A 139 11.851 14.405 -3.401 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.431 13.380 -0.931 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.590 14.689 -1.052 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.206 15.151 -2.703 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.813 14.927 -1.010 1.00 0.54 H new ATOM 0 HE21 GLN A 139 9.300 16.503 0.481 1.00 1.56 H new ATOM 0 HE22 GLN A 139 10.041 18.047 0.047 1.00 1.56 H new ATOM 1964 N MET A 140 11.675 11.296 -3.270 1.00 0.35 N ATOM 1965 CA MET A 140 12.394 10.030 -3.136 1.00 0.35 C ATOM 1966 C MET A 140 13.763 10.092 -3.815 1.00 0.40 C ATOM 1967 O MET A 140 13.904 10.699 -4.879 1.00 0.48 O ATOM 1968 CB MET A 140 11.576 8.887 -3.742 1.00 0.38 C ATOM 1969 CG MET A 140 11.098 7.875 -2.719 1.00 0.66 C ATOM 1970 SD MET A 140 10.851 6.240 -3.427 1.00 0.86 S ATOM 1971 CE MET A 140 9.169 5.923 -2.913 1.00 0.67 C ATOM 0 H MET A 140 10.835 11.242 -3.846 1.00 0.35 H new ATOM 0 HA MET A 140 12.544 9.848 -2.072 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.712 9.304 -4.260 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.180 8.376 -4.491 1.00 0.38 H new ATOM 0 HG2 MET A 140 11.825 7.810 -1.910 1.00 0.66 H new ATOM 0 HG3 MET A 140 10.163 8.222 -2.280 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.021 4.850 -2.794 1.00 0.67 H new ATOM 0 HE2 MET A 140 8.978 6.423 -1.964 1.00 0.67 H new ATOM 0 HE3 MET A 140 8.480 6.302 -3.668 1.00 0.67 H new ATOM 1981 N PRO A 141 14.787 9.460 -3.213 1.00 0.42 N ATOM 1982 CA PRO A 141 16.139 9.443 -3.774 1.00 0.52 C ATOM 1983 C PRO A 141 16.248 8.497 -4.971 1.00 0.61 C ATOM 1984 O PRO A 141 16.363 7.282 -4.803 1.00 0.67 O ATOM 1985 CB PRO A 141 16.992 8.940 -2.606 1.00 0.55 C ATOM 1986 CG PRO A 141 16.075 8.091 -1.801 1.00 0.53 C ATOM 1987 CD PRO A 141 14.708 8.711 -1.940 1.00 0.46 C ATOM 0 HA PRO A 141 16.447 10.418 -4.153 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.850 8.369 -2.961 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.383 9.769 -2.016 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.076 7.063 -2.163 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.386 8.062 -0.757 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.926 7.952 -1.970 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.481 9.370 -1.102 1.00 0.46 H new ATOM 1995 N GLN A 142 16.237 9.064 -6.175 1.00 0.76 N ATOM 1996 CA GLN A 142 16.228 8.276 -7.410 1.00 0.94 C ATOM 1997 C GLN A 142 17.557 7.561 -7.648 1.00 0.93 C ATOM 1998 O GLN A 142 17.708 6.826 -8.622 1.00 1.17 O ATOM 1999 CB GLN A 142 15.911 9.171 -8.609 1.00 1.21 C ATOM 2000 CG GLN A 142 14.470 9.646 -8.649 1.00 1.60 C ATOM 2001 CD GLN A 142 13.514 8.556 -9.088 1.00 2.34 C ATOM 2002 OE1 GLN A 142 13.638 8.006 -10.182 1.00 2.87 O ATOM 2003 NE2 GLN A 142 12.548 8.243 -8.245 1.00 2.91 N ATOM 0 H GLN A 142 16.234 10.073 -6.324 1.00 0.76 H new ATOM 0 HA GLN A 142 15.453 7.517 -7.298 1.00 0.94 H new ATOM 0 HB2 GLN A 142 16.570 10.039 -8.588 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.131 8.626 -9.527 1.00 1.21 H new ATOM 0 HG2 GLN A 142 14.180 10.003 -7.661 1.00 1.60 H new ATOM 0 HG3 GLN A 142 14.388 10.493 -9.330 1.00 1.60 H new ATOM 0 HE21 GLN A 142 12.479 8.722 -7.347 1.00 2.91 H new ATOM 0 HE22 GLN A 142 11.870 7.522 -8.491 1.00 2.91 H new ATOM 2012 N GLU A 143 18.515 7.782 -6.762 1.00 0.80 N ATOM 2013 CA GLU A 143 19.823 7.156 -6.875 1.00 0.91 C ATOM 2014 C GLU A 143 19.783 5.744 -6.320 1.00 0.87 C ATOM 2015 O GLU A 143 20.421 4.836 -6.855 1.00 1.20 O ATOM 2016 CB GLU A 143 20.859 7.966 -6.108 1.00 1.04 C ATOM 2017 CG GLU A 143 21.209 9.285 -6.773 1.00 1.22 C ATOM 2018 CD GLU A 143 22.547 9.824 -6.315 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.615 10.387 -5.205 1.00 2.70 O ATOM 2020 OE2 GLU A 143 23.539 9.688 -7.062 1.00 2.30 O ATOM 0 H GLU A 143 18.410 8.394 -5.952 1.00 0.80 H new ATOM 0 HA GLU A 143 20.096 7.120 -7.930 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.484 8.163 -5.104 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.766 7.371 -5.999 1.00 1.04 H new ATOM 0 HG2 GLU A 143 21.225 9.151 -7.855 1.00 1.22 H new ATOM 0 HG3 GLU A 143 20.431 10.017 -6.554 1.00 1.22 H new ATOM 2027 N GLU A 144 19.036 5.593 -5.231 1.00 0.77 N ATOM 2028 CA GLU A 144 18.896 4.316 -4.536 1.00 0.77 C ATOM 2029 C GLU A 144 20.226 3.908 -3.900 1.00 0.82 C ATOM 2030 O GLU A 144 21.030 3.187 -4.492 1.00 1.16 O ATOM 2031 CB GLU A 144 18.389 3.223 -5.485 1.00 0.82 C ATOM 2032 CG GLU A 144 18.339 1.836 -4.860 1.00 1.04 C ATOM 2033 CD GLU A 144 16.927 1.341 -4.658 1.00 1.58 C ATOM 2034 OE1 GLU A 144 16.270 0.989 -5.658 1.00 1.87 O ATOM 2035 OE2 GLU A 144 16.462 1.314 -3.495 1.00 2.34 O ATOM 0 H GLU A 144 18.509 6.354 -4.804 1.00 0.77 H new ATOM 0 HA GLU A 144 18.156 4.438 -3.745 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.391 3.491 -5.831 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.033 3.191 -6.364 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.878 1.135 -5.497 1.00 1.04 H new ATOM 0 HG3 GLU A 144 18.854 1.855 -3.900 1.00 1.04 H new ATOM 2042 N VAL A 145 20.454 4.395 -2.693 1.00 0.63 N ATOM 2043 CA VAL A 145 21.666 4.076 -1.955 1.00 0.68 C ATOM 2044 C VAL A 145 21.394 2.925 -1.000 1.00 0.61 C ATOM 2045 O VAL A 145 20.521 3.025 -0.144 1.00 0.61 O ATOM 2046 CB VAL A 145 22.182 5.292 -1.150 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.694 5.240 -1.002 1.00 0.99 C ATOM 2048 CG2 VAL A 145 21.756 6.597 -1.804 1.00 0.88 C ATOM 0 H VAL A 145 19.813 5.016 -2.200 1.00 0.63 H new ATOM 0 HA VAL A 145 22.432 3.796 -2.678 1.00 0.68 H new ATOM 0 HB VAL A 145 21.738 5.248 -0.156 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.034 6.105 -0.433 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.977 4.327 -0.478 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.157 5.251 -1.989 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.131 7.437 -1.219 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.163 6.648 -2.814 1.00 0.88 H new ATOM 0 HG23 VAL A 145 20.668 6.643 -1.849 1.00 0.88 H new ATOM 2058 N GLU A 146 22.115 1.830 -1.162 1.00 0.66 N ATOM 2059 CA GLU A 146 21.935 0.671 -0.302 1.00 0.68 C ATOM 2060 C GLU A 146 22.512 0.935 1.081 1.00 0.72 C ATOM 2061 O GLU A 146 23.516 1.638 1.222 1.00 0.75 O ATOM 2062 CB GLU A 146 22.589 -0.560 -0.919 1.00 0.79 C ATOM 2063 CG GLU A 146 21.661 -1.757 -0.961 1.00 1.00 C ATOM 2064 CD GLU A 146 22.066 -2.773 -2.006 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.155 -2.626 -2.598 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.301 -3.730 -2.233 1.00 1.24 O ATOM 0 H GLU A 146 22.831 1.718 -1.880 1.00 0.66 H new ATOM 0 HA GLU A 146 20.866 0.484 -0.202 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.916 -0.323 -1.932 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.481 -0.817 -0.348 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.647 -2.235 0.018 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.645 -1.417 -1.165 1.00 1.00 H new ATOM 2073 N LEU A 147 21.877 0.373 2.094 1.00 0.76 N ATOM 2074 CA LEU A 147 22.296 0.594 3.463 1.00 0.86 C ATOM 2075 C LEU A 147 23.064 -0.610 3.982 1.00 1.01 C ATOM 2076 O LEU A 147 23.612 -1.370 3.156 1.00 1.57 O ATOM 2077 CB LEU A 147 21.090 0.866 4.367 1.00 0.86 C ATOM 2078 CG LEU A 147 20.312 2.141 4.057 1.00 0.76 C ATOM 2079 CD1 LEU A 147 18.978 2.133 4.785 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.120 3.373 4.435 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.103 -0.806 5.213 1.00 1.46 O ATOM 0 H LEU A 147 21.068 -0.240 1.992 1.00 0.76 H new ATOM 0 HA LEU A 147 22.947 1.468 3.478 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.408 0.019 4.298 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.435 0.914 5.400 1.00 0.86 H new ATOM 0 HG LEU A 147 20.124 2.177 2.984 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.433 3.048 4.555 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.393 1.272 4.463 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.150 2.073 5.860 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.545 4.270 4.205 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.343 3.349 5.502 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.052 3.384 3.870 1.00 0.82 H new