USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1242 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 79 SER OG : rot 167:sc= 1.19 USER MOD Set 1.2: A 105 SER OG : rot -174:sc= 2.25 USER MOD Set 2.1: A 62 TYR OH : rot 38:sc= 1.48 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.999 X(o=2.9,f=3.3) USER MOD Set 2.3: A 98 HIS : no HD1:sc= -1.07 X(o=2.9,f=3.3) USER MOD Set 2.4: A 100 SER OG : rot -156:sc= 1.52 USER MOD Single : A 7 TYR OH : rot 81:sc= 1.57 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 15 LYS NZ :NH3+ -126:sc= 1.61 (180deg=0.488) USER MOD Single : A 25 GLN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Single : A 31 SER OG : rot -120:sc= 1.26 USER MOD Single : A 32 GLN : amide:sc= 0.863 K(o=0.86,f=-4.6!) USER MOD Single : A 34 GLN : amide:sc= 1.03 K(o=1,f=-4.4!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.14) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.231 USER MOD Single : A 47 CYS SG : rot 37:sc= 0.149 USER MOD Single : A 51 CYS SG : rot 158:sc= -0.218 USER MOD Single : A 53 THR OG1 : rot 151:sc= 1.08 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.666 (180deg=-1.15!) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.15) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.448) USER MOD Single : A 74 GLN : amide:sc= 0.38 K(o=0.38,f=-3.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.16) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.652 K(o=0.65,f=-8.1!) USER MOD Single : A 117 THR OG1 : rot 166:sc= 1.29 USER MOD Single : A 122 TYR OH : rot 180:sc=-0.00444 USER MOD Single : A 123 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -129:sc= 0.855 (180deg=-3.33!) USER MOD Single : A 137 HIS :FLIP no HD1:sc= -0.107 F(o=-0.92,f=-0.11) USER MOD Single : A 138 THR OG1 : rot -150:sc= 0.256 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 145 LYS NZ :NH3+ -155:sc= 2 (180deg=-0.00827) USER MOD Single : A 153 TYR OH : rot 30:sc= 1.31 USER MOD Single : A 154 SER OG : rot -117:sc= 1.18 USER MOD Single : A 157 LYS NZ :NH3+ -112:sc= 2.26 (180deg=-1.06) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc=-0.00385 X(o=-0.0038,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.389 5.445 3.761 1.00 1.72 N ATOM 90 CA TYR A 7 15.852 4.049 3.832 1.00 1.48 C ATOM 91 C TYR A 7 15.421 3.168 2.640 1.00 1.43 C ATOM 92 O TYR A 7 15.956 2.070 2.484 1.00 1.45 O ATOM 93 CB TYR A 7 15.361 3.402 5.136 1.00 1.80 C ATOM 94 CG TYR A 7 13.908 2.959 5.105 1.00 2.88 C ATOM 95 CD1 TYR A 7 12.888 3.906 5.288 1.00 4.52 C ATOM 96 CD2 TYR A 7 13.573 1.609 4.885 1.00 3.32 C ATOM 97 CE1 TYR A 7 11.537 3.517 5.284 1.00 6.06 C ATOM 98 CE2 TYR A 7 12.223 1.212 4.869 1.00 4.77 C ATOM 99 CZ TYR A 7 11.202 2.163 5.078 1.00 5.98 C ATOM 100 OH TYR A 7 9.903 1.767 5.061 1.00 7.54 O ATOM 0 HA TYR A 7 16.940 4.101 3.798 1.00 1.48 H new ATOM 0 HB2 TYR A 7 15.988 2.538 5.358 1.00 1.80 H new ATOM 0 HB3 TYR A 7 15.495 4.111 5.953 1.00 1.80 H new ATOM 0 HD1 TYR A 7 13.144 4.945 5.433 1.00 4.52 H new ATOM 0 HD2 TYR A 7 14.352 0.878 4.728 1.00 3.32 H new ATOM 0 HE1 TYR A 7 10.760 4.251 5.438 1.00 6.06 H new ATOM 0 HE2 TYR A 7 11.968 0.177 4.696 1.00 4.77 H new ATOM 0 HH TYR A 7 9.517 1.948 4.179 1.00 7.54 H new ATOM 110 N GLY A 8 14.424 3.585 1.847 1.00 1.16 N ATOM 111 CA GLY A 8 13.891 2.791 0.730 1.00 1.07 C ATOM 112 C GLY A 8 14.680 2.981 -0.570 1.00 1.23 C ATOM 113 O GLY A 8 15.743 3.605 -0.591 1.00 1.50 O ATOM 0 H GLY A 8 13.962 4.487 1.963 1.00 1.16 H new ATOM 0 HA2 GLY A 8 13.901 1.736 1.004 1.00 1.07 H new ATOM 0 HA3 GLY A 8 12.850 3.066 0.560 1.00 1.07 H new ATOM 117 N THR A 9 14.137 2.476 -1.684 1.00 1.14 N ATOM 118 CA THR A 9 14.655 2.774 -3.033 1.00 1.19 C ATOM 119 C THR A 9 14.268 4.203 -3.380 1.00 1.20 C ATOM 120 O THR A 9 13.122 4.476 -3.747 1.00 1.03 O ATOM 121 CB THR A 9 14.124 1.824 -4.107 1.00 1.29 C ATOM 122 OG1 THR A 9 14.450 0.495 -3.773 1.00 1.55 O ATOM 123 CG2 THR A 9 14.759 2.094 -5.475 1.00 1.52 C ATOM 0 H THR A 9 13.330 1.852 -1.681 1.00 1.14 H new ATOM 0 HA THR A 9 15.737 2.642 -3.014 1.00 1.19 H new ATOM 0 HB THR A 9 13.047 1.982 -4.158 1.00 1.29 H new ATOM 0 HG1 THR A 9 14.106 -0.110 -4.463 1.00 1.55 H new ATOM 0 HG21 THR A 9 14.354 1.397 -6.208 1.00 1.52 H new ATOM 0 HG22 THR A 9 14.537 3.115 -5.784 1.00 1.52 H new ATOM 0 HG23 THR A 9 15.839 1.962 -5.407 1.00 1.52 H new ATOM 131 N ARG A 10 15.238 5.105 -3.265 1.00 1.26 N ATOM 132 CA ARG A 10 15.111 6.501 -3.685 1.00 1.39 C ATOM 133 C ARG A 10 15.022 6.602 -5.210 1.00 1.79 C ATOM 134 O ARG A 10 15.825 6.021 -5.938 1.00 2.19 O ATOM 135 CB ARG A 10 16.252 7.362 -3.117 1.00 1.83 C ATOM 136 CG ARG A 10 16.217 8.783 -3.710 1.00 2.54 C ATOM 137 CD ARG A 10 17.183 9.747 -3.030 1.00 3.02 C ATOM 138 NE ARG A 10 17.392 10.950 -3.866 1.00 3.71 N ATOM 139 CZ ARG A 10 16.629 12.039 -3.907 1.00 3.64 C ATOM 140 NH1 ARG A 10 15.604 12.196 -3.094 1.00 3.37 N ATOM 141 NH2 ARG A 10 16.905 12.999 -4.766 1.00 4.58 N ATOM 0 H ARG A 10 16.152 4.884 -2.870 1.00 1.26 H new ATOM 0 HA ARG A 10 14.182 6.897 -3.275 1.00 1.39 H new ATOM 0 HB2 ARG A 10 16.167 7.415 -2.032 1.00 1.83 H new ATOM 0 HB3 ARG A 10 17.211 6.894 -3.340 1.00 1.83 H new ATOM 0 HG2 ARG A 10 16.455 8.731 -4.772 1.00 2.54 H new ATOM 0 HG3 ARG A 10 15.204 9.178 -3.629 1.00 2.54 H new ATOM 0 HD2 ARG A 10 16.790 10.038 -2.056 1.00 3.02 H new ATOM 0 HD3 ARG A 10 18.137 9.250 -2.853 1.00 3.02 H new ATOM 0 HE ARG A 10 18.209 10.944 -4.477 1.00 3.71 H new ATOM 0 HH11 ARG A 10 15.379 11.472 -2.411 1.00 3.37 H new ATOM 0 HH12 ARG A 10 15.036 13.041 -3.147 1.00 3.37 H new ATOM 0 HH21 ARG A 10 17.701 12.906 -5.397 1.00 4.58 H new ATOM 0 HH22 ARG A 10 16.322 13.836 -4.801 1.00 4.58 H new ATOM 155 N LEU A 11 14.102 7.436 -5.685 1.00 1.26 N ATOM 156 CA LEU A 11 14.010 7.807 -7.096 1.00 1.25 C ATOM 157 C LEU A 11 14.707 9.154 -7.326 1.00 1.65 C ATOM 158 O LEU A 11 14.628 10.060 -6.493 1.00 2.02 O ATOM 159 CB LEU A 11 12.532 7.797 -7.534 1.00 1.08 C ATOM 160 CG LEU A 11 11.887 6.391 -7.470 1.00 1.25 C ATOM 161 CD1 LEU A 11 10.390 6.485 -7.770 1.00 1.04 C ATOM 162 CD2 LEU A 11 12.537 5.406 -8.454 1.00 1.58 C ATOM 0 H LEU A 11 13.394 7.877 -5.099 1.00 1.26 H new ATOM 0 HA LEU A 11 14.529 7.080 -7.721 1.00 1.25 H new ATOM 0 HB2 LEU A 11 11.967 8.478 -6.898 1.00 1.08 H new ATOM 0 HB3 LEU A 11 12.459 8.177 -8.553 1.00 1.08 H new ATOM 0 HG LEU A 11 12.047 6.013 -6.460 1.00 1.25 H new ATOM 0 HD11 LEU A 11 9.946 5.491 -7.722 1.00 1.04 H new ATOM 0 HD12 LEU A 11 9.911 7.132 -7.034 1.00 1.04 H new ATOM 0 HD13 LEU A 11 10.244 6.900 -8.767 1.00 1.04 H new ATOM 0 HD21 LEU A 11 12.050 4.434 -8.371 1.00 1.58 H new ATOM 0 HD22 LEU A 11 12.427 5.782 -9.471 1.00 1.58 H new ATOM 0 HD23 LEU A 11 13.596 5.302 -8.219 1.00 1.58 H new ATOM 174 N LEU A 12 15.413 9.271 -8.455 1.00 1.56 N ATOM 175 CA LEU A 12 15.978 10.522 -8.954 1.00 1.70 C ATOM 176 C LEU A 12 14.909 11.253 -9.770 1.00 1.82 C ATOM 177 O LEU A 12 14.549 12.376 -9.435 1.00 2.06 O ATOM 178 CB LEU A 12 17.255 10.152 -9.730 1.00 1.98 C ATOM 179 CG LEU A 12 18.081 11.335 -10.274 1.00 2.84 C ATOM 180 CD1 LEU A 12 19.496 10.827 -10.571 1.00 3.77 C ATOM 181 CD2 LEU A 12 17.485 11.926 -11.561 1.00 4.65 C ATOM 0 H LEU A 12 15.611 8.475 -9.061 1.00 1.56 H new ATOM 0 HA LEU A 12 16.267 11.221 -8.169 1.00 1.70 H new ATOM 0 HB2 LEU A 12 17.894 9.558 -9.077 1.00 1.98 H new ATOM 0 HB3 LEU A 12 16.975 9.514 -10.568 1.00 1.98 H new ATOM 0 HG LEU A 12 18.081 12.125 -9.523 1.00 2.84 H new ATOM 0 HD11 LEU A 12 20.103 11.646 -10.958 1.00 3.77 H new ATOM 0 HD12 LEU A 12 19.945 10.444 -9.654 1.00 3.77 H new ATOM 0 HD13 LEU A 12 19.448 10.029 -11.312 1.00 3.77 H new ATOM 0 HD21 LEU A 12 18.105 12.755 -11.901 1.00 4.65 H new ATOM 0 HD22 LEU A 12 17.452 11.157 -12.333 1.00 4.65 H new ATOM 0 HD23 LEU A 12 16.475 12.285 -11.363 1.00 4.65 H new ATOM 193 N ASN A 13 14.347 10.570 -10.770 1.00 1.70 N ATOM 194 CA ASN A 13 13.130 10.980 -11.467 1.00 1.69 C ATOM 195 C ASN A 13 11.930 10.199 -10.893 1.00 1.69 C ATOM 196 O ASN A 13 11.762 9.024 -11.237 1.00 1.81 O ATOM 197 CB ASN A 13 13.291 10.726 -12.976 1.00 1.94 C ATOM 198 CG ASN A 13 14.265 11.705 -13.621 1.00 2.63 C ATOM 199 OD1 ASN A 13 14.209 12.900 -13.389 1.00 3.42 O ATOM 200 ND2 ASN A 13 15.181 11.235 -14.446 1.00 3.55 N ATOM 0 H ASN A 13 14.736 9.696 -11.124 1.00 1.70 H new ATOM 0 HA ASN A 13 12.951 12.045 -11.320 1.00 1.69 H new ATOM 0 HB2 ASN A 13 13.643 9.707 -13.136 1.00 1.94 H new ATOM 0 HB3 ASN A 13 12.319 10.808 -13.463 1.00 1.94 H new ATOM 0 HD21 ASN A 13 15.843 11.872 -14.890 1.00 3.55 H new ATOM 0 HD22 ASN A 13 15.228 10.235 -14.640 1.00 3.55 H new ATOM 207 N PRO A 14 11.120 10.797 -9.997 1.00 1.52 N ATOM 208 CA PRO A 14 9.929 10.154 -9.447 1.00 1.60 C ATOM 209 C PRO A 14 8.827 10.069 -10.511 1.00 1.70 C ATOM 210 O PRO A 14 8.496 11.054 -11.172 1.00 1.68 O ATOM 211 CB PRO A 14 9.539 10.997 -8.232 1.00 1.65 C ATOM 212 CG PRO A 14 10.079 12.387 -8.566 1.00 1.64 C ATOM 213 CD PRO A 14 11.346 12.082 -9.349 1.00 1.60 C ATOM 0 HA PRO A 14 10.103 9.122 -9.143 1.00 1.60 H new ATOM 0 HB2 PRO A 14 8.459 11.012 -8.085 1.00 1.65 H new ATOM 0 HB3 PRO A 14 9.980 10.606 -7.315 1.00 1.65 H new ATOM 0 HG2 PRO A 14 9.368 12.965 -9.157 1.00 1.64 H new ATOM 0 HG3 PRO A 14 10.290 12.965 -7.666 1.00 1.64 H new ATOM 0 HD2 PRO A 14 11.546 12.860 -10.086 1.00 1.60 H new ATOM 0 HD3 PRO A 14 12.212 12.038 -8.688 1.00 1.60 H new ATOM 221 N LYS A 15 8.254 8.876 -10.699 1.00 1.43 N ATOM 222 CA LYS A 15 7.338 8.581 -11.809 1.00 1.49 C ATOM 223 C LYS A 15 5.880 8.948 -11.464 1.00 1.48 C ATOM 224 O LYS A 15 5.385 8.488 -10.434 1.00 1.45 O ATOM 225 CB LYS A 15 7.453 7.093 -12.146 1.00 1.58 C ATOM 226 CG LYS A 15 6.720 6.695 -13.440 1.00 1.71 C ATOM 227 CD LYS A 15 6.352 5.206 -13.464 1.00 2.19 C ATOM 228 CE LYS A 15 5.100 4.969 -12.610 1.00 2.19 C ATOM 229 NZ LYS A 15 4.676 3.553 -12.636 1.00 3.02 N ATOM 0 H LYS A 15 8.413 8.080 -10.081 1.00 1.43 H new ATOM 0 HA LYS A 15 7.618 9.187 -12.671 1.00 1.49 H new ATOM 0 HB2 LYS A 15 8.507 6.831 -12.240 1.00 1.58 H new ATOM 0 HB3 LYS A 15 7.052 6.509 -11.317 1.00 1.58 H new ATOM 0 HG2 LYS A 15 5.814 7.293 -13.541 1.00 1.71 H new ATOM 0 HG3 LYS A 15 7.351 6.925 -14.298 1.00 1.71 H new ATOM 0 HD2 LYS A 15 6.171 4.883 -14.489 1.00 2.19 H new ATOM 0 HD3 LYS A 15 7.182 4.610 -13.083 1.00 2.19 H new ATOM 0 HE2 LYS A 15 5.300 5.270 -11.581 1.00 2.19 H new ATOM 0 HE3 LYS A 15 4.288 5.598 -12.974 1.00 2.19 H new ATOM 0 HZ1 LYS A 15 3.678 3.495 -12.923 1.00 3.02 H new ATOM 0 HZ2 LYS A 15 5.263 3.027 -13.315 1.00 3.02 H new ATOM 0 HZ3 LYS A 15 4.789 3.139 -11.688 1.00 3.02 H new ATOM 243 N PRO A 16 5.172 9.730 -12.301 1.00 1.40 N ATOM 244 CA PRO A 16 3.794 10.139 -12.041 1.00 1.31 C ATOM 245 C PRO A 16 2.857 8.925 -12.112 1.00 1.32 C ATOM 246 O PRO A 16 3.138 7.991 -12.861 1.00 1.30 O ATOM 247 CB PRO A 16 3.479 11.218 -13.080 1.00 1.49 C ATOM 248 CG PRO A 16 4.415 10.892 -14.246 1.00 1.58 C ATOM 249 CD PRO A 16 5.623 10.224 -13.591 1.00 1.60 C ATOM 0 HA PRO A 16 3.653 10.545 -11.039 1.00 1.31 H new ATOM 0 HB2 PRO A 16 2.433 11.185 -13.386 1.00 1.49 H new ATOM 0 HB3 PRO A 16 3.664 12.217 -12.687 1.00 1.49 H new ATOM 0 HG2 PRO A 16 3.936 10.228 -14.966 1.00 1.58 H new ATOM 0 HG3 PRO A 16 4.704 11.793 -14.787 1.00 1.58 H new ATOM 0 HD2 PRO A 16 5.998 9.408 -14.209 1.00 1.60 H new ATOM 0 HD3 PRO A 16 6.441 10.934 -13.470 1.00 1.60 H new ATOM 257 N VAL A 17 1.775 8.940 -11.322 1.00 0.84 N ATOM 258 CA VAL A 17 0.804 7.834 -11.169 1.00 0.68 C ATOM 259 C VAL A 17 -0.551 8.360 -10.679 1.00 1.06 C ATOM 260 O VAL A 17 -0.616 9.295 -9.879 1.00 1.18 O ATOM 261 CB VAL A 17 1.262 6.707 -10.191 1.00 0.70 C ATOM 262 CG1 VAL A 17 2.399 5.841 -10.758 1.00 0.93 C ATOM 263 CG2 VAL A 17 1.706 7.237 -8.817 1.00 0.83 C ATOM 0 H VAL A 17 1.538 9.750 -10.749 1.00 0.84 H new ATOM 0 HA VAL A 17 0.726 7.399 -12.165 1.00 0.68 H new ATOM 0 HB VAL A 17 0.369 6.095 -10.067 1.00 0.70 H new ATOM 0 HG11 VAL A 17 2.672 5.076 -10.030 1.00 0.93 H new ATOM 0 HG12 VAL A 17 2.067 5.363 -11.680 1.00 0.93 H new ATOM 0 HG13 VAL A 17 3.265 6.469 -10.966 1.00 0.93 H new ATOM 0 HG21 VAL A 17 2.012 6.402 -8.186 1.00 0.83 H new ATOM 0 HG22 VAL A 17 2.545 7.921 -8.945 1.00 0.83 H new ATOM 0 HG23 VAL A 17 0.877 7.764 -8.345 1.00 0.83 H new ATOM 273 N ASP A 18 -1.616 7.704 -11.124 1.00 0.62 N ATOM 274 CA ASP A 18 -2.928 7.656 -10.472 1.00 0.64 C ATOM 275 C ASP A 18 -3.323 6.164 -10.383 1.00 0.99 C ATOM 276 O ASP A 18 -2.538 5.280 -10.731 1.00 1.65 O ATOM 277 CB ASP A 18 -3.940 8.518 -11.274 1.00 0.74 C ATOM 278 CG ASP A 18 -5.264 8.864 -10.560 1.00 1.12 C ATOM 279 OD1 ASP A 18 -5.457 8.529 -9.374 1.00 2.25 O ATOM 280 OD2 ASP A 18 -6.133 9.534 -11.165 1.00 1.80 O ATOM 0 H ASP A 18 -1.592 7.164 -11.989 1.00 0.62 H new ATOM 0 HA ASP A 18 -2.914 8.076 -9.466 1.00 0.64 H new ATOM 0 HB2 ASP A 18 -3.449 9.450 -11.553 1.00 0.74 H new ATOM 0 HB3 ASP A 18 -4.178 7.993 -12.199 1.00 0.74 H new ATOM 285 N PHE A 19 -4.547 5.876 -9.954 1.00 0.72 N ATOM 286 CA PHE A 19 -5.221 4.599 -10.170 1.00 0.76 C ATOM 287 C PHE A 19 -6.735 4.808 -10.121 1.00 1.47 C ATOM 288 O PHE A 19 -7.214 5.882 -9.751 1.00 1.74 O ATOM 289 CB PHE A 19 -4.721 3.490 -9.208 1.00 0.91 C ATOM 290 CG PHE A 19 -5.156 3.480 -7.742 1.00 1.08 C ATOM 291 CD1 PHE A 19 -5.597 4.636 -7.076 1.00 2.21 C ATOM 292 CD2 PHE A 19 -5.073 2.279 -7.010 1.00 1.94 C ATOM 293 CE1 PHE A 19 -5.928 4.606 -5.710 1.00 2.24 C ATOM 294 CE2 PHE A 19 -5.418 2.236 -5.649 1.00 1.99 C ATOM 295 CZ PHE A 19 -5.825 3.405 -4.991 1.00 1.41 C ATOM 0 H PHE A 19 -5.115 6.543 -9.431 1.00 0.72 H new ATOM 0 HA PHE A 19 -4.965 4.231 -11.164 1.00 0.76 H new ATOM 0 HB2 PHE A 19 -5.018 2.533 -9.638 1.00 0.91 H new ATOM 0 HB3 PHE A 19 -3.632 3.521 -9.220 1.00 0.91 H new ATOM 0 HD1 PHE A 19 -5.683 5.563 -7.623 1.00 2.21 H new ATOM 0 HD2 PHE A 19 -4.739 1.378 -7.503 1.00 1.94 H new ATOM 0 HE1 PHE A 19 -6.261 5.506 -5.214 1.00 2.24 H new ATOM 0 HE2 PHE A 19 -5.370 1.302 -5.109 1.00 1.99 H new ATOM 0 HZ PHE A 19 -6.058 3.382 -3.937 1.00 1.41 H new ATOM 305 N ALA A 20 -7.495 3.769 -10.460 1.00 0.71 N ATOM 306 CA ALA A 20 -8.935 3.710 -10.247 1.00 0.67 C ATOM 307 C ALA A 20 -9.283 2.330 -9.675 1.00 0.85 C ATOM 308 O ALA A 20 -9.285 1.339 -10.402 1.00 0.93 O ATOM 309 CB ALA A 20 -9.642 3.999 -11.580 1.00 0.80 C ATOM 0 H ALA A 20 -7.117 2.929 -10.899 1.00 0.71 H new ATOM 0 HA ALA A 20 -9.272 4.460 -9.531 1.00 0.67 H new ATOM 0 HB1 ALA A 20 -10.722 3.958 -11.436 1.00 0.80 H new ATOM 0 HB2 ALA A 20 -9.360 4.991 -11.934 1.00 0.80 H new ATOM 0 HB3 ALA A 20 -9.346 3.253 -12.318 1.00 0.80 H new ATOM 315 N LEU A 21 -9.539 2.265 -8.366 1.00 0.72 N ATOM 316 CA LEU A 21 -9.912 1.037 -7.655 1.00 0.70 C ATOM 317 C LEU A 21 -11.312 1.121 -7.035 1.00 0.98 C ATOM 318 O LEU A 21 -11.891 2.196 -6.859 1.00 1.17 O ATOM 319 CB LEU A 21 -8.865 0.699 -6.571 1.00 0.67 C ATOM 320 CG LEU A 21 -8.191 -0.684 -6.682 1.00 0.74 C ATOM 321 CD1 LEU A 21 -9.175 -1.865 -6.640 1.00 1.16 C ATOM 322 CD2 LEU A 21 -7.333 -0.780 -7.945 1.00 1.09 C ATOM 0 H LEU A 21 -9.492 3.082 -7.757 1.00 0.72 H new ATOM 0 HA LEU A 21 -9.935 0.236 -8.394 1.00 0.70 H new ATOM 0 HB2 LEU A 21 -8.087 1.462 -6.596 1.00 0.67 H new ATOM 0 HB3 LEU A 21 -9.347 0.768 -5.596 1.00 0.67 H new ATOM 0 HG LEU A 21 -7.561 -0.764 -5.796 1.00 0.74 H new ATOM 0 HD11 LEU A 21 -8.623 -2.801 -6.724 1.00 1.16 H new ATOM 0 HD12 LEU A 21 -9.722 -1.849 -5.698 1.00 1.16 H new ATOM 0 HD13 LEU A 21 -9.878 -1.783 -7.469 1.00 1.16 H new ATOM 0 HD21 LEU A 21 -6.870 -1.766 -7.997 1.00 1.09 H new ATOM 0 HD22 LEU A 21 -7.960 -0.627 -8.823 1.00 1.09 H new ATOM 0 HD23 LEU A 21 -6.556 -0.016 -7.916 1.00 1.09 H new ATOM 334 N GLU A 22 -11.816 -0.051 -6.675 1.00 0.63 N ATOM 335 CA GLU A 22 -13.152 -0.311 -6.164 1.00 0.52 C ATOM 336 C GLU A 22 -13.086 -0.582 -4.655 1.00 0.91 C ATOM 337 O GLU A 22 -12.186 -1.284 -4.188 1.00 1.13 O ATOM 338 CB GLU A 22 -13.664 -1.539 -6.922 1.00 0.66 C ATOM 339 CG GLU A 22 -15.177 -1.755 -6.843 1.00 1.20 C ATOM 340 CD GLU A 22 -15.706 -2.042 -8.245 1.00 1.91 C ATOM 341 OE1 GLU A 22 -15.566 -3.196 -8.712 1.00 2.63 O ATOM 342 OE2 GLU A 22 -16.157 -1.072 -8.883 1.00 2.83 O ATOM 0 H GLU A 22 -11.261 -0.905 -6.737 1.00 0.63 H new ATOM 0 HA GLU A 22 -13.819 0.539 -6.309 1.00 0.52 H new ATOM 0 HB2 GLU A 22 -13.378 -1.447 -7.970 1.00 0.66 H new ATOM 0 HB3 GLU A 22 -13.163 -2.425 -6.531 1.00 0.66 H new ATOM 0 HG2 GLU A 22 -15.405 -2.586 -6.176 1.00 1.20 H new ATOM 0 HG3 GLU A 22 -15.663 -0.872 -6.429 1.00 1.20 H new ATOM 349 N GLY A 23 -14.011 -0.012 -3.881 1.00 0.55 N ATOM 350 CA GLY A 23 -14.050 -0.127 -2.418 1.00 0.56 C ATOM 351 C GLY A 23 -15.471 -0.314 -1.873 1.00 0.77 C ATOM 352 O GLY A 23 -16.432 0.015 -2.572 1.00 1.03 O ATOM 0 H GLY A 23 -14.770 0.554 -4.259 1.00 0.55 H new ATOM 0 HA2 GLY A 23 -13.433 -0.971 -2.108 1.00 0.56 H new ATOM 0 HA3 GLY A 23 -13.611 0.768 -1.976 1.00 0.56 H new ATOM 356 N PRO A 24 -15.625 -0.802 -0.625 1.00 0.55 N ATOM 357 CA PRO A 24 -16.937 -1.085 -0.041 1.00 0.79 C ATOM 358 C PRO A 24 -17.691 0.203 0.303 1.00 1.15 C ATOM 359 O PRO A 24 -18.886 0.313 0.039 1.00 1.50 O ATOM 360 CB PRO A 24 -16.645 -1.930 1.202 1.00 0.85 C ATOM 361 CG PRO A 24 -15.241 -1.500 1.629 1.00 0.83 C ATOM 362 CD PRO A 24 -14.554 -1.107 0.319 1.00 0.57 C ATOM 0 HA PRO A 24 -17.588 -1.613 -0.738 1.00 0.79 H new ATOM 0 HB2 PRO A 24 -17.375 -1.744 1.990 1.00 0.85 H new ATOM 0 HB3 PRO A 24 -16.683 -2.996 0.977 1.00 0.85 H new ATOM 0 HG2 PRO A 24 -15.276 -0.664 2.327 1.00 0.83 H new ATOM 0 HG3 PRO A 24 -14.711 -2.311 2.129 1.00 0.83 H new ATOM 0 HD2 PRO A 24 -13.904 -0.244 0.463 1.00 0.57 H new ATOM 0 HD3 PRO A 24 -13.928 -1.919 -0.051 1.00 0.57 H new ATOM 370 N GLN A 25 -16.980 1.206 0.825 1.00 1.84 N ATOM 371 CA GLN A 25 -17.494 2.555 1.068 1.00 2.31 C ATOM 372 C GLN A 25 -17.348 3.475 -0.165 1.00 2.60 C ATOM 373 O GLN A 25 -17.150 4.680 -0.017 1.00 3.40 O ATOM 374 CB GLN A 25 -16.834 3.121 2.340 1.00 2.55 C ATOM 375 CG GLN A 25 -15.307 3.323 2.221 1.00 3.92 C ATOM 376 CD GLN A 25 -14.888 4.737 2.611 1.00 4.32 C ATOM 377 OE1 GLN A 25 -14.269 4.974 3.639 1.00 4.84 O ATOM 378 NE2 GLN A 25 -15.243 5.733 1.824 1.00 4.86 N ATOM 0 H GLN A 25 -16.003 1.098 1.098 1.00 1.84 H new ATOM 0 HA GLN A 25 -18.569 2.504 1.238 1.00 2.31 H new ATOM 0 HB2 GLN A 25 -17.298 4.077 2.583 1.00 2.55 H new ATOM 0 HB3 GLN A 25 -17.037 2.447 3.172 1.00 2.55 H new ATOM 0 HG2 GLN A 25 -14.795 2.603 2.860 1.00 3.92 H new ATOM 0 HG3 GLN A 25 -14.993 3.121 1.197 1.00 3.92 H new ATOM 0 HE21 GLN A 25 -15.759 5.545 0.965 1.00 4.86 H new ATOM 0 HE22 GLN A 25 -15.001 6.692 2.074 1.00 4.86 H new ATOM 387 N GLY A 26 -17.413 2.905 -1.375 1.00 2.03 N ATOM 388 CA GLY A 26 -17.270 3.605 -2.657 1.00 2.12 C ATOM 389 C GLY A 26 -15.907 3.388 -3.342 1.00 1.95 C ATOM 390 O GLY A 26 -14.945 2.991 -2.680 1.00 1.99 O ATOM 0 H GLY A 26 -17.573 1.904 -1.492 1.00 2.03 H new ATOM 0 HA2 GLY A 26 -18.060 3.273 -3.330 1.00 2.12 H new ATOM 0 HA3 GLY A 26 -17.417 4.673 -2.494 1.00 2.12 H new ATOM 394 N PRO A 27 -15.816 3.636 -4.668 1.00 1.70 N ATOM 395 CA PRO A 27 -14.581 3.554 -5.443 1.00 1.65 C ATOM 396 C PRO A 27 -13.682 4.777 -5.216 1.00 1.63 C ATOM 397 O PRO A 27 -14.132 5.831 -4.769 1.00 1.64 O ATOM 398 CB PRO A 27 -15.025 3.444 -6.904 1.00 1.59 C ATOM 399 CG PRO A 27 -16.310 4.270 -6.919 1.00 1.52 C ATOM 400 CD PRO A 27 -16.926 3.975 -5.552 1.00 1.69 C ATOM 0 HA PRO A 27 -13.978 2.698 -5.141 1.00 1.65 H new ATOM 0 HB2 PRO A 27 -14.276 3.845 -7.587 1.00 1.59 H new ATOM 0 HB3 PRO A 27 -15.203 2.410 -7.198 1.00 1.59 H new ATOM 0 HG2 PRO A 27 -16.105 5.333 -7.048 1.00 1.52 H new ATOM 0 HG3 PRO A 27 -16.972 3.972 -7.732 1.00 1.52 H new ATOM 0 HD2 PRO A 27 -17.472 4.840 -5.176 1.00 1.69 H new ATOM 0 HD3 PRO A 27 -17.638 3.152 -5.616 1.00 1.69 H new ATOM 408 N VAL A 28 -12.388 4.621 -5.513 1.00 1.09 N ATOM 409 CA VAL A 28 -11.326 5.553 -5.112 1.00 1.07 C ATOM 410 C VAL A 28 -10.271 5.695 -6.211 1.00 1.10 C ATOM 411 O VAL A 28 -9.763 4.699 -6.730 1.00 1.10 O ATOM 412 CB VAL A 28 -10.678 5.078 -3.787 1.00 1.21 C ATOM 413 CG1 VAL A 28 -9.369 5.804 -3.436 1.00 1.79 C ATOM 414 CG2 VAL A 28 -11.645 5.260 -2.602 1.00 1.79 C ATOM 0 H VAL A 28 -12.041 3.827 -6.050 1.00 1.09 H new ATOM 0 HA VAL A 28 -11.771 6.535 -4.954 1.00 1.07 H new ATOM 0 HB VAL A 28 -10.450 4.025 -3.954 1.00 1.21 H new ATOM 0 HG11 VAL A 28 -8.978 5.415 -2.496 1.00 1.79 H new ATOM 0 HG12 VAL A 28 -8.638 5.640 -4.228 1.00 1.79 H new ATOM 0 HG13 VAL A 28 -9.561 6.872 -3.335 1.00 1.79 H new ATOM 0 HG21 VAL A 28 -11.165 4.919 -1.685 1.00 1.79 H new ATOM 0 HG22 VAL A 28 -11.907 6.314 -2.504 1.00 1.79 H new ATOM 0 HG23 VAL A 28 -12.549 4.677 -2.777 1.00 1.79 H new ATOM 424 N ARG A 29 -9.902 6.945 -6.510 1.00 0.81 N ATOM 425 CA ARG A 29 -8.709 7.310 -7.280 1.00 0.81 C ATOM 426 C ARG A 29 -7.598 7.838 -6.368 1.00 1.24 C ATOM 427 O ARG A 29 -7.846 8.319 -5.262 1.00 1.47 O ATOM 428 CB ARG A 29 -9.039 8.371 -8.343 1.00 0.88 C ATOM 429 CG ARG A 29 -10.041 7.879 -9.401 1.00 0.97 C ATOM 430 CD ARG A 29 -10.419 8.992 -10.384 1.00 1.46 C ATOM 431 NE ARG A 29 -9.264 9.471 -11.164 1.00 2.44 N ATOM 432 CZ ARG A 29 -9.244 10.492 -12.013 1.00 3.54 C ATOM 433 NH1 ARG A 29 -10.323 11.201 -12.287 1.00 4.04 N ATOM 434 NH2 ARG A 29 -8.107 10.803 -12.594 1.00 4.83 N ATOM 0 H ARG A 29 -10.443 7.757 -6.213 1.00 0.81 H new ATOM 0 HA ARG A 29 -8.360 6.404 -7.775 1.00 0.81 H new ATOM 0 HB2 ARG A 29 -9.445 9.255 -7.851 1.00 0.88 H new ATOM 0 HB3 ARG A 29 -8.118 8.677 -8.839 1.00 0.88 H new ATOM 0 HG2 ARG A 29 -9.610 7.041 -9.948 1.00 0.97 H new ATOM 0 HG3 ARG A 29 -10.939 7.509 -8.907 1.00 0.97 H new ATOM 0 HD2 ARG A 29 -11.187 8.626 -11.065 1.00 1.46 H new ATOM 0 HD3 ARG A 29 -10.853 9.827 -9.834 1.00 1.46 H new ATOM 0 HE ARG A 29 -8.387 8.965 -11.039 1.00 2.44 H new ATOM 0 HH11 ARG A 29 -11.211 10.971 -11.841 1.00 4.04 H new ATOM 0 HH12 ARG A 29 -10.269 11.979 -12.945 1.00 4.04 H new ATOM 0 HH21 ARG A 29 -7.265 10.264 -12.389 1.00 4.83 H new ATOM 0 HH22 ARG A 29 -8.066 11.583 -13.250 1.00 4.83 H new ATOM 448 N LEU A 30 -6.350 7.812 -6.847 1.00 0.83 N ATOM 449 CA LEU A 30 -5.183 8.382 -6.158 1.00 0.84 C ATOM 450 C LEU A 30 -5.180 9.908 -6.262 1.00 1.15 C ATOM 451 O LEU A 30 -4.700 10.593 -5.370 1.00 1.32 O ATOM 452 CB LEU A 30 -3.882 7.822 -6.776 1.00 0.86 C ATOM 453 CG LEU A 30 -2.931 7.153 -5.776 1.00 0.97 C ATOM 454 CD1 LEU A 30 -1.731 6.608 -6.556 1.00 2.13 C ATOM 455 CD2 LEU A 30 -2.456 8.119 -4.684 1.00 1.96 C ATOM 0 H LEU A 30 -6.116 7.385 -7.743 1.00 0.83 H new ATOM 0 HA LEU A 30 -5.239 8.104 -5.106 1.00 0.84 H new ATOM 0 HB2 LEU A 30 -4.145 7.097 -7.546 1.00 0.86 H new ATOM 0 HB3 LEU A 30 -3.352 8.636 -7.271 1.00 0.86 H new ATOM 0 HG LEU A 30 -3.466 6.350 -5.268 1.00 0.97 H new ATOM 0 HD11 LEU A 30 -1.038 6.126 -5.867 1.00 2.13 H new ATOM 0 HD12 LEU A 30 -2.075 5.881 -7.292 1.00 2.13 H new ATOM 0 HD13 LEU A 30 -1.225 7.428 -7.065 1.00 2.13 H new ATOM 0 HD21 LEU A 30 -1.785 7.596 -4.002 1.00 1.96 H new ATOM 0 HD22 LEU A 30 -1.928 8.955 -5.142 1.00 1.96 H new ATOM 0 HD23 LEU A 30 -3.317 8.494 -4.130 1.00 1.96 H new ATOM 467 N SER A 31 -5.784 10.450 -7.314 1.00 0.91 N ATOM 468 CA SER A 31 -6.036 11.884 -7.492 1.00 1.04 C ATOM 469 C SER A 31 -7.070 12.480 -6.514 1.00 1.29 C ATOM 470 O SER A 31 -7.378 13.666 -6.582 1.00 1.64 O ATOM 471 CB SER A 31 -6.353 12.186 -8.961 1.00 1.24 C ATOM 472 OG SER A 31 -7.276 11.257 -9.527 1.00 1.33 O ATOM 0 H SER A 31 -6.125 9.889 -8.095 1.00 0.91 H new ATOM 0 HA SER A 31 -5.113 12.400 -7.226 1.00 1.04 H new ATOM 0 HB2 SER A 31 -6.762 13.193 -9.041 1.00 1.24 H new ATOM 0 HB3 SER A 31 -5.429 12.171 -9.538 1.00 1.24 H new ATOM 0 HG SER A 31 -6.860 10.807 -10.292 1.00 1.33 H new ATOM 478 N GLN A 32 -7.567 11.697 -5.551 1.00 1.05 N ATOM 479 CA GLN A 32 -8.247 12.193 -4.348 1.00 1.18 C ATOM 480 C GLN A 32 -7.280 12.377 -3.160 1.00 1.55 C ATOM 481 O GLN A 32 -7.695 12.847 -2.102 1.00 1.69 O ATOM 482 CB GLN A 32 -9.385 11.213 -4.010 1.00 1.22 C ATOM 483 CG GLN A 32 -10.482 11.244 -5.092 1.00 1.76 C ATOM 484 CD GLN A 32 -11.342 9.984 -5.143 1.00 1.81 C ATOM 485 OE1 GLN A 32 -11.427 9.324 -6.164 1.00 2.69 O ATOM 486 NE2 GLN A 32 -12.015 9.599 -4.082 1.00 2.31 N ATOM 0 H GLN A 32 -7.507 10.679 -5.586 1.00 1.05 H new ATOM 0 HA GLN A 32 -8.654 13.185 -4.545 1.00 1.18 H new ATOM 0 HB2 GLN A 32 -8.985 10.203 -3.922 1.00 1.22 H new ATOM 0 HB3 GLN A 32 -9.816 11.471 -3.043 1.00 1.22 H new ATOM 0 HG2 GLN A 32 -11.127 12.105 -4.916 1.00 1.76 H new ATOM 0 HG3 GLN A 32 -10.014 11.391 -6.065 1.00 1.76 H new ATOM 0 HE21 GLN A 32 -11.957 10.138 -3.218 1.00 2.31 H new ATOM 0 HE22 GLN A 32 -12.595 8.761 -4.122 1.00 2.31 H new ATOM 495 N PHE A 33 -5.997 12.028 -3.317 1.00 1.11 N ATOM 496 CA PHE A 33 -4.973 12.002 -2.266 1.00 1.20 C ATOM 497 C PHE A 33 -3.624 12.603 -2.731 1.00 2.24 C ATOM 498 O PHE A 33 -2.567 12.188 -2.255 1.00 2.70 O ATOM 499 CB PHE A 33 -4.758 10.544 -1.824 1.00 1.35 C ATOM 500 CG PHE A 33 -5.958 9.741 -1.358 1.00 1.09 C ATOM 501 CD1 PHE A 33 -6.832 10.245 -0.374 1.00 2.27 C ATOM 502 CD2 PHE A 33 -6.145 8.441 -1.859 1.00 2.00 C ATOM 503 CE1 PHE A 33 -7.893 9.451 0.100 1.00 2.35 C ATOM 504 CE2 PHE A 33 -7.201 7.649 -1.382 1.00 1.87 C ATOM 505 CZ PHE A 33 -8.079 8.150 -0.407 1.00 1.33 C ATOM 0 H PHE A 33 -5.627 11.742 -4.224 1.00 1.11 H new ATOM 0 HA PHE A 33 -5.328 12.617 -1.439 1.00 1.20 H new ATOM 0 HB2 PHE A 33 -4.306 10.009 -2.659 1.00 1.35 H new ATOM 0 HB3 PHE A 33 -4.028 10.548 -1.015 1.00 1.35 H new ATOM 0 HD1 PHE A 33 -6.687 11.241 0.017 1.00 2.27 H new ATOM 0 HD2 PHE A 33 -5.476 8.051 -2.612 1.00 2.00 H new ATOM 0 HE1 PHE A 33 -8.564 9.839 0.852 1.00 2.35 H new ATOM 0 HE2 PHE A 33 -7.339 6.649 -1.767 1.00 1.87 H new ATOM 0 HZ PHE A 33 -8.894 7.540 -0.047 1.00 1.33 H new ATOM 515 N GLN A 34 -3.612 13.541 -3.678 1.00 1.10 N ATOM 516 CA GLN A 34 -2.355 14.131 -4.173 1.00 1.24 C ATOM 517 C GLN A 34 -1.654 14.995 -3.112 1.00 1.49 C ATOM 518 O GLN A 34 -0.472 14.784 -2.839 1.00 2.26 O ATOM 519 CB GLN A 34 -2.607 14.842 -5.517 1.00 1.46 C ATOM 520 CG GLN A 34 -2.610 13.764 -6.598 1.00 2.07 C ATOM 521 CD GLN A 34 -2.796 14.278 -8.025 1.00 2.06 C ATOM 522 OE1 GLN A 34 -3.751 13.936 -8.701 1.00 2.11 O ATOM 523 NE2 GLN A 34 -1.905 15.079 -8.565 1.00 2.86 N ATOM 0 H GLN A 34 -4.453 13.912 -4.121 1.00 1.10 H new ATOM 0 HA GLN A 34 -1.638 13.334 -4.370 1.00 1.24 H new ATOM 0 HB2 GLN A 34 -3.558 15.374 -5.500 1.00 1.46 H new ATOM 0 HB3 GLN A 34 -1.832 15.583 -5.713 1.00 1.46 H new ATOM 0 HG2 GLN A 34 -1.669 13.216 -6.545 1.00 2.07 H new ATOM 0 HG3 GLN A 34 -3.406 13.053 -6.378 1.00 2.07 H new ATOM 0 HE21 GLN A 34 -1.096 15.381 -8.023 1.00 2.86 H new ATOM 0 HE22 GLN A 34 -2.023 15.398 -9.527 1.00 2.86 H new ATOM 532 N ASP A 35 -2.401 15.873 -2.444 1.00 1.15 N ATOM 533 CA ASP A 35 -1.997 16.656 -1.257 1.00 1.26 C ATOM 534 C ASP A 35 -1.733 15.816 0.019 1.00 1.27 C ATOM 535 O ASP A 35 -1.467 16.366 1.092 1.00 1.70 O ATOM 536 CB ASP A 35 -3.104 17.680 -0.950 1.00 1.45 C ATOM 537 CG ASP A 35 -3.385 18.623 -2.121 1.00 2.52 C ATOM 538 OD1 ASP A 35 -4.101 18.167 -3.040 1.00 3.59 O ATOM 539 OD2 ASP A 35 -2.902 19.774 -2.053 1.00 3.66 O ATOM 0 H ASP A 35 -3.360 16.075 -2.726 1.00 1.15 H new ATOM 0 HA ASP A 35 -1.047 17.125 -1.511 1.00 1.26 H new ATOM 0 HB2 ASP A 35 -4.020 17.150 -0.689 1.00 1.45 H new ATOM 0 HB3 ASP A 35 -2.817 18.268 -0.078 1.00 1.45 H new ATOM 544 N LYS A 36 -1.873 14.489 -0.053 1.00 0.88 N ATOM 545 CA LYS A 36 -1.708 13.547 1.061 1.00 0.92 C ATOM 546 C LYS A 36 -0.402 12.729 0.918 1.00 1.14 C ATOM 547 O LYS A 36 0.374 12.913 -0.014 1.00 1.36 O ATOM 548 CB LYS A 36 -2.951 12.632 1.115 1.00 1.15 C ATOM 549 CG LYS A 36 -4.323 13.323 1.196 1.00 1.51 C ATOM 550 CD LYS A 36 -4.614 14.110 2.485 1.00 1.45 C ATOM 551 CE LYS A 36 -4.096 15.552 2.443 1.00 2.06 C ATOM 552 NZ LYS A 36 -4.655 16.373 3.548 1.00 2.07 N ATOM 0 H LYS A 36 -2.115 14.021 -0.926 1.00 0.88 H new ATOM 0 HA LYS A 36 -1.624 14.097 1.998 1.00 0.92 H new ATOM 0 HB2 LYS A 36 -2.943 11.997 0.229 1.00 1.15 H new ATOM 0 HB3 LYS A 36 -2.851 11.975 1.979 1.00 1.15 H new ATOM 0 HG2 LYS A 36 -4.413 14.005 0.351 1.00 1.51 H new ATOM 0 HG3 LYS A 36 -5.096 12.564 1.077 1.00 1.51 H new ATOM 0 HD2 LYS A 36 -5.690 14.122 2.660 1.00 1.45 H new ATOM 0 HD3 LYS A 36 -4.159 13.592 3.330 1.00 1.45 H new ATOM 0 HE2 LYS A 36 -3.008 15.549 2.507 1.00 2.06 H new ATOM 0 HE3 LYS A 36 -4.358 16.004 1.486 1.00 2.06 H new ATOM 0 HZ1 LYS A 36 -4.092 17.241 3.655 1.00 2.07 H new ATOM 0 HZ2 LYS A 36 -5.640 16.624 3.330 1.00 2.07 H new ATOM 0 HZ3 LYS A 36 -4.624 15.829 4.434 1.00 2.07 H new ATOM 566 N VAL A 37 -0.173 11.789 1.829 1.00 0.88 N ATOM 567 CA VAL A 37 0.918 10.806 1.804 1.00 0.84 C ATOM 568 C VAL A 37 0.249 9.430 1.778 1.00 1.21 C ATOM 569 O VAL A 37 -0.548 9.136 2.668 1.00 1.53 O ATOM 570 CB VAL A 37 1.850 10.946 3.035 1.00 0.89 C ATOM 571 CG1 VAL A 37 3.095 10.067 2.857 1.00 1.08 C ATOM 572 CG2 VAL A 37 2.284 12.399 3.291 1.00 1.07 C ATOM 0 H VAL A 37 -0.771 11.682 2.649 1.00 0.88 H new ATOM 0 HA VAL A 37 1.554 10.959 0.932 1.00 0.84 H new ATOM 0 HB VAL A 37 1.276 10.618 3.902 1.00 0.89 H new ATOM 0 HG11 VAL A 37 3.743 10.173 3.727 1.00 1.08 H new ATOM 0 HG12 VAL A 37 2.793 9.025 2.754 1.00 1.08 H new ATOM 0 HG13 VAL A 37 3.635 10.378 1.963 1.00 1.08 H new ATOM 0 HG21 VAL A 37 2.935 12.436 4.165 1.00 1.07 H new ATOM 0 HG22 VAL A 37 2.822 12.777 2.421 1.00 1.07 H new ATOM 0 HG23 VAL A 37 1.403 13.016 3.469 1.00 1.07 H new ATOM 582 N VAL A 38 0.522 8.640 0.733 1.00 0.72 N ATOM 583 CA VAL A 38 -0.145 7.346 0.480 1.00 0.74 C ATOM 584 C VAL A 38 0.885 6.235 0.282 1.00 1.03 C ATOM 585 O VAL A 38 1.789 6.369 -0.547 1.00 0.91 O ATOM 586 CB VAL A 38 -1.073 7.409 -0.755 1.00 0.77 C ATOM 587 CG1 VAL A 38 -1.749 6.055 -1.053 1.00 1.13 C ATOM 588 CG2 VAL A 38 -2.174 8.468 -0.576 1.00 0.99 C ATOM 0 H VAL A 38 1.219 8.879 0.028 1.00 0.72 H new ATOM 0 HA VAL A 38 -0.754 7.127 1.357 1.00 0.74 H new ATOM 0 HB VAL A 38 -0.430 7.676 -1.593 1.00 0.77 H new ATOM 0 HG11 VAL A 38 -2.390 6.153 -1.929 1.00 1.13 H new ATOM 0 HG12 VAL A 38 -0.985 5.301 -1.245 1.00 1.13 H new ATOM 0 HG13 VAL A 38 -2.350 5.752 -0.196 1.00 1.13 H new ATOM 0 HG21 VAL A 38 -2.809 8.486 -1.462 1.00 0.99 H new ATOM 0 HG22 VAL A 38 -2.777 8.221 0.298 1.00 0.99 H new ATOM 0 HG23 VAL A 38 -1.717 9.448 -0.437 1.00 0.99 H new ATOM 598 N LEU A 39 0.706 5.136 1.026 1.00 0.85 N ATOM 599 CA LEU A 39 1.449 3.881 0.892 1.00 0.92 C ATOM 600 C LEU A 39 0.519 2.802 0.315 1.00 1.29 C ATOM 601 O LEU A 39 -0.501 2.480 0.926 1.00 1.34 O ATOM 602 CB LEU A 39 1.992 3.429 2.261 1.00 1.11 C ATOM 603 CG LEU A 39 3.122 4.289 2.869 1.00 1.09 C ATOM 604 CD1 LEU A 39 2.659 5.680 3.333 1.00 1.88 C ATOM 605 CD2 LEU A 39 3.704 3.533 4.069 1.00 1.45 C ATOM 0 H LEU A 39 0.009 5.098 1.769 1.00 0.85 H new ATOM 0 HA LEU A 39 2.293 4.035 0.220 1.00 0.92 H new ATOM 0 HB2 LEU A 39 1.162 3.406 2.967 1.00 1.11 H new ATOM 0 HB3 LEU A 39 2.356 2.406 2.164 1.00 1.11 H new ATOM 0 HG LEU A 39 3.862 4.454 2.086 1.00 1.09 H new ATOM 0 HD11 LEU A 39 3.506 6.226 3.748 1.00 1.88 H new ATOM 0 HD12 LEU A 39 2.254 6.231 2.484 1.00 1.88 H new ATOM 0 HD13 LEU A 39 1.888 5.571 4.096 1.00 1.88 H new ATOM 0 HD21 LEU A 39 4.505 4.121 4.516 1.00 1.45 H new ATOM 0 HD22 LEU A 39 2.921 3.366 4.808 1.00 1.45 H new ATOM 0 HD23 LEU A 39 4.100 2.573 3.737 1.00 1.45 H new ATOM 617 N LEU A 40 0.865 2.266 -0.856 1.00 0.83 N ATOM 618 CA LEU A 40 0.109 1.232 -1.565 1.00 0.77 C ATOM 619 C LEU A 40 0.754 -0.141 -1.316 1.00 1.09 C ATOM 620 O LEU A 40 1.957 -0.286 -1.535 1.00 1.24 O ATOM 621 CB LEU A 40 0.102 1.594 -3.071 1.00 0.83 C ATOM 622 CG LEU A 40 -1.158 1.207 -3.868 1.00 1.32 C ATOM 623 CD1 LEU A 40 -1.625 -0.232 -3.630 1.00 2.64 C ATOM 624 CD2 LEU A 40 -2.310 2.176 -3.561 1.00 1.79 C ATOM 0 H LEU A 40 1.709 2.549 -1.355 1.00 0.83 H new ATOM 0 HA LEU A 40 -0.919 1.180 -1.205 1.00 0.77 H new ATOM 0 HB2 LEU A 40 0.246 2.671 -3.163 1.00 0.83 H new ATOM 0 HB3 LEU A 40 0.962 1.116 -3.540 1.00 0.83 H new ATOM 0 HG LEU A 40 -0.873 1.276 -4.918 1.00 1.32 H new ATOM 0 HD11 LEU A 40 -2.516 -0.428 -4.226 1.00 2.64 H new ATOM 0 HD12 LEU A 40 -0.835 -0.924 -3.921 1.00 2.64 H new ATOM 0 HD13 LEU A 40 -1.857 -0.369 -2.574 1.00 2.64 H new ATOM 0 HD21 LEU A 40 -3.191 1.886 -4.133 1.00 1.79 H new ATOM 0 HD22 LEU A 40 -2.541 2.141 -2.496 1.00 1.79 H new ATOM 0 HD23 LEU A 40 -2.016 3.189 -3.835 1.00 1.79 H new ATOM 636 N PHE A 41 -0.035 -1.129 -0.885 1.00 0.74 N ATOM 637 CA PHE A 41 0.383 -2.521 -0.673 1.00 0.79 C ATOM 638 C PHE A 41 -0.608 -3.491 -1.349 1.00 1.51 C ATOM 639 O PHE A 41 -1.822 -3.360 -1.179 1.00 1.77 O ATOM 640 CB PHE A 41 0.469 -2.754 0.849 1.00 0.77 C ATOM 641 CG PHE A 41 0.942 -4.120 1.328 1.00 0.96 C ATOM 642 CD1 PHE A 41 1.996 -4.801 0.684 1.00 2.08 C ATOM 643 CD2 PHE A 41 0.353 -4.695 2.472 1.00 2.07 C ATOM 644 CE1 PHE A 41 2.422 -6.057 1.152 1.00 2.00 C ATOM 645 CE2 PHE A 41 0.765 -5.958 2.932 1.00 2.22 C ATOM 646 CZ PHE A 41 1.799 -6.641 2.269 1.00 1.17 C ATOM 0 H PHE A 41 -1.020 -0.978 -0.665 1.00 0.74 H new ATOM 0 HA PHE A 41 1.357 -2.709 -1.125 1.00 0.79 H new ATOM 0 HB2 PHE A 41 1.138 -2.002 1.267 1.00 0.77 H new ATOM 0 HB3 PHE A 41 -0.519 -2.573 1.273 1.00 0.77 H new ATOM 0 HD1 PHE A 41 2.479 -4.355 -0.173 1.00 2.08 H new ATOM 0 HD2 PHE A 41 -0.422 -4.160 3.000 1.00 2.07 H new ATOM 0 HE1 PHE A 41 3.229 -6.573 0.653 1.00 2.00 H new ATOM 0 HE2 PHE A 41 0.288 -6.402 3.793 1.00 2.22 H new ATOM 0 HZ PHE A 41 2.115 -7.613 2.617 1.00 1.17 H new ATOM 656 N PHE A 42 -0.088 -4.455 -2.118 1.00 0.92 N ATOM 657 CA PHE A 42 -0.861 -5.452 -2.876 1.00 0.98 C ATOM 658 C PHE A 42 -0.760 -6.843 -2.221 1.00 2.00 C ATOM 659 O PHE A 42 0.342 -7.399 -2.131 1.00 2.38 O ATOM 660 CB PHE A 42 -0.329 -5.504 -4.319 1.00 1.09 C ATOM 661 CG PHE A 42 -0.522 -4.234 -5.125 1.00 0.98 C ATOM 662 CD1 PHE A 42 0.451 -3.214 -5.089 1.00 1.77 C ATOM 663 CD2 PHE A 42 -1.654 -4.088 -5.947 1.00 2.39 C ATOM 664 CE1 PHE A 42 0.307 -2.071 -5.894 1.00 1.69 C ATOM 665 CE2 PHE A 42 -1.800 -2.943 -6.751 1.00 2.27 C ATOM 666 CZ PHE A 42 -0.818 -1.938 -6.730 1.00 0.86 C ATOM 0 H PHE A 42 0.919 -4.568 -2.235 1.00 0.92 H new ATOM 0 HA PHE A 42 -1.912 -5.161 -2.879 1.00 0.98 H new ATOM 0 HB2 PHE A 42 0.735 -5.738 -4.289 1.00 1.09 H new ATOM 0 HB3 PHE A 42 -0.821 -6.325 -4.841 1.00 1.09 H new ATOM 0 HD1 PHE A 42 1.309 -3.311 -4.441 1.00 1.77 H new ATOM 0 HD2 PHE A 42 -2.413 -4.857 -5.961 1.00 2.39 H new ATOM 0 HE1 PHE A 42 1.058 -1.296 -5.871 1.00 1.69 H new ATOM 0 HE2 PHE A 42 -2.668 -2.836 -7.385 1.00 2.27 H new ATOM 0 HZ PHE A 42 -0.926 -1.064 -7.355 1.00 0.86 H new ATOM 676 N GLY A 43 -1.883 -7.405 -1.754 1.00 1.03 N ATOM 677 CA GLY A 43 -1.944 -8.751 -1.158 1.00 1.13 C ATOM 678 C GLY A 43 -3.229 -9.553 -1.402 1.00 1.22 C ATOM 679 O GLY A 43 -4.276 -9.020 -1.753 1.00 1.33 O ATOM 0 H GLY A 43 -2.787 -6.934 -1.779 1.00 1.03 H new ATOM 0 HA2 GLY A 43 -1.103 -9.331 -1.539 1.00 1.13 H new ATOM 0 HA3 GLY A 43 -1.802 -8.654 -0.082 1.00 1.13 H new ATOM 683 N PHE A 44 -3.170 -10.839 -1.038 1.00 1.29 N ATOM 684 CA PHE A 44 -4.290 -11.810 -1.068 1.00 1.37 C ATOM 685 C PHE A 44 -5.143 -11.804 0.215 1.00 1.81 C ATOM 686 O PHE A 44 -5.669 -12.840 0.633 1.00 3.07 O ATOM 687 CB PHE A 44 -3.727 -13.212 -1.383 1.00 1.42 C ATOM 688 CG PHE A 44 -3.299 -13.399 -2.822 1.00 1.92 C ATOM 689 CD1 PHE A 44 -2.111 -12.813 -3.290 1.00 3.60 C ATOM 690 CD2 PHE A 44 -4.098 -14.159 -3.699 1.00 2.98 C ATOM 691 CE1 PHE A 44 -1.767 -12.928 -4.643 1.00 5.09 C ATOM 692 CE2 PHE A 44 -3.728 -14.295 -5.048 1.00 4.34 C ATOM 693 CZ PHE A 44 -2.591 -13.633 -5.528 1.00 5.27 C ATOM 0 H PHE A 44 -2.305 -11.259 -0.698 1.00 1.29 H new ATOM 0 HA PHE A 44 -4.979 -11.507 -1.857 1.00 1.37 H new ATOM 0 HB2 PHE A 44 -2.872 -13.402 -0.734 1.00 1.42 H new ATOM 0 HB3 PHE A 44 -4.484 -13.958 -1.141 1.00 1.42 H new ATOM 0 HD1 PHE A 44 -1.466 -12.276 -2.610 1.00 3.60 H new ATOM 0 HD2 PHE A 44 -4.995 -14.637 -3.334 1.00 2.98 H new ATOM 0 HE1 PHE A 44 -0.859 -12.469 -5.006 1.00 5.09 H new ATOM 0 HE2 PHE A 44 -4.319 -14.908 -5.712 1.00 4.34 H new ATOM 0 HZ PHE A 44 -2.350 -13.666 -6.580 1.00 5.27 H new ATOM 703 N THR A 45 -5.214 -10.631 0.856 1.00 1.09 N ATOM 704 CA THR A 45 -6.100 -10.233 1.966 1.00 1.64 C ATOM 705 C THR A 45 -5.765 -10.895 3.302 1.00 2.08 C ATOM 706 O THR A 45 -5.615 -10.223 4.316 1.00 3.12 O ATOM 707 CB THR A 45 -7.562 -10.457 1.553 1.00 1.92 C ATOM 708 OG1 THR A 45 -7.761 -9.993 0.242 1.00 2.88 O ATOM 709 CG2 THR A 45 -8.479 -9.612 2.418 1.00 1.44 C ATOM 0 H THR A 45 -4.598 -9.863 0.589 1.00 1.09 H new ATOM 0 HA THR A 45 -5.935 -9.171 2.150 1.00 1.64 H new ATOM 0 HB THR A 45 -7.774 -11.522 1.650 1.00 1.92 H new ATOM 0 HG1 THR A 45 -8.717 -9.839 0.091 1.00 2.88 H new ATOM 0 HG21 THR A 45 -9.514 -9.776 2.119 1.00 1.44 H new ATOM 0 HG22 THR A 45 -8.354 -9.893 3.464 1.00 1.44 H new ATOM 0 HG23 THR A 45 -8.228 -8.559 2.293 1.00 1.44 H new ATOM 717 N ARG A 46 -5.580 -12.214 3.297 1.00 1.84 N ATOM 718 CA ARG A 46 -4.967 -13.012 4.352 1.00 2.41 C ATOM 719 C ARG A 46 -3.618 -12.441 4.801 1.00 3.13 C ATOM 720 O ARG A 46 -2.833 -11.929 4.001 1.00 4.20 O ATOM 721 CB ARG A 46 -4.658 -14.419 3.811 1.00 2.47 C ATOM 722 CG ARG A 46 -5.850 -15.268 3.344 1.00 2.70 C ATOM 723 CD ARG A 46 -5.342 -16.604 2.768 1.00 3.11 C ATOM 724 NE ARG A 46 -4.582 -17.374 3.776 1.00 3.84 N ATOM 725 CZ ARG A 46 -3.336 -17.839 3.697 1.00 4.92 C ATOM 726 NH1 ARG A 46 -2.637 -17.844 2.579 1.00 5.43 N ATOM 727 NH2 ARG A 46 -2.758 -18.318 4.776 1.00 6.04 N ATOM 0 H ARG A 46 -5.873 -12.787 2.506 1.00 1.84 H new ATOM 0 HA ARG A 46 -5.670 -13.018 5.185 1.00 2.41 H new ATOM 0 HB2 ARG A 46 -3.968 -14.315 2.973 1.00 2.47 H new ATOM 0 HB3 ARG A 46 -4.133 -14.973 4.589 1.00 2.47 H new ATOM 0 HG2 ARG A 46 -6.525 -15.454 4.179 1.00 2.70 H new ATOM 0 HG3 ARG A 46 -6.419 -14.728 2.588 1.00 2.70 H new ATOM 0 HD2 ARG A 46 -6.188 -17.196 2.418 1.00 3.11 H new ATOM 0 HD3 ARG A 46 -4.708 -16.411 1.902 1.00 3.11 H new ATOM 0 HE ARG A 46 -5.076 -17.575 4.645 1.00 3.84 H new ATOM 0 HH11 ARG A 46 -3.047 -17.480 1.719 1.00 5.43 H new ATOM 0 HH12 ARG A 46 -1.686 -18.212 2.574 1.00 5.43 H new ATOM 0 HH21 ARG A 46 -3.263 -18.331 5.662 1.00 6.04 H new ATOM 0 HH22 ARG A 46 -1.804 -18.677 4.727 1.00 6.04 H new ATOM 741 N CYS A 47 -3.227 -12.793 6.023 1.00 3.18 N ATOM 742 CA CYS A 47 -1.825 -13.070 6.339 1.00 3.29 C ATOM 743 C CYS A 47 -1.297 -14.306 5.562 1.00 2.01 C ATOM 744 O CYS A 47 -1.856 -15.399 5.714 1.00 2.23 O ATOM 745 CB CYS A 47 -1.717 -13.247 7.864 1.00 4.73 C ATOM 746 SG CYS A 47 -2.884 -14.513 8.453 1.00 7.03 S ATOM 0 H CYS A 47 -3.862 -12.894 6.814 1.00 3.18 H new ATOM 0 HA CYS A 47 -1.195 -12.239 6.023 1.00 3.29 H new ATOM 0 HB2 CYS A 47 -0.699 -13.532 8.130 1.00 4.73 H new ATOM 0 HB3 CYS A 47 -1.922 -12.298 8.360 1.00 4.73 H new ATOM 0 HG CYS A 47 -2.966 -15.469 7.576 1.00 7.03 H new ATOM 752 N PRO A 48 -0.235 -14.174 4.745 1.00 1.82 N ATOM 753 CA PRO A 48 0.754 -15.222 4.592 1.00 2.00 C ATOM 754 C PRO A 48 1.699 -15.127 5.796 1.00 1.83 C ATOM 755 O PRO A 48 1.706 -16.040 6.614 1.00 2.32 O ATOM 756 CB PRO A 48 1.427 -14.955 3.244 1.00 3.17 C ATOM 757 CG PRO A 48 1.301 -13.443 3.048 1.00 3.35 C ATOM 758 CD PRO A 48 0.128 -13.020 3.938 1.00 2.91 C ATOM 0 HA PRO A 48 0.359 -16.238 4.582 1.00 2.00 H new ATOM 0 HB2 PRO A 48 2.471 -15.269 3.252 1.00 3.17 H new ATOM 0 HB3 PRO A 48 0.936 -15.502 2.439 1.00 3.17 H new ATOM 0 HG2 PRO A 48 2.219 -12.931 3.336 1.00 3.35 H new ATOM 0 HG3 PRO A 48 1.112 -13.196 2.003 1.00 3.35 H new ATOM 0 HD2 PRO A 48 0.410 -12.180 4.572 1.00 2.91 H new ATOM 0 HD3 PRO A 48 -0.717 -12.693 3.332 1.00 2.91 H new ATOM 766 N ASP A 49 2.406 -13.999 5.949 1.00 1.44 N ATOM 767 CA ASP A 49 3.390 -13.732 7.000 1.00 1.57 C ATOM 768 C ASP A 49 3.466 -12.193 7.148 1.00 1.20 C ATOM 769 O ASP A 49 2.675 -11.620 7.892 1.00 1.32 O ATOM 770 CB ASP A 49 4.689 -14.448 6.583 1.00 2.42 C ATOM 771 CG ASP A 49 5.929 -13.948 7.313 1.00 3.24 C ATOM 772 OD1 ASP A 49 6.220 -14.463 8.410 1.00 3.50 O ATOM 773 OD2 ASP A 49 6.543 -13.030 6.723 1.00 4.39 O ATOM 0 H ASP A 49 2.300 -13.211 5.310 1.00 1.44 H new ATOM 0 HA ASP A 49 3.146 -14.117 7.990 1.00 1.57 H new ATOM 0 HB2 ASP A 49 4.578 -15.517 6.765 1.00 2.42 H new ATOM 0 HB3 ASP A 49 4.834 -14.321 5.510 1.00 2.42 H new ATOM 778 N VAL A 50 4.265 -11.539 6.309 1.00 1.13 N ATOM 779 CA VAL A 50 4.390 -10.096 6.020 1.00 1.05 C ATOM 780 C VAL A 50 3.179 -9.152 6.242 1.00 1.27 C ATOM 781 O VAL A 50 3.382 -7.987 6.584 1.00 1.63 O ATOM 782 CB VAL A 50 4.869 -9.966 4.551 1.00 1.33 C ATOM 783 CG1 VAL A 50 3.963 -10.689 3.534 1.00 1.25 C ATOM 784 CG2 VAL A 50 5.022 -8.515 4.088 1.00 2.30 C ATOM 0 H VAL A 50 4.927 -12.067 5.740 1.00 1.13 H new ATOM 0 HA VAL A 50 5.085 -9.740 6.781 1.00 1.05 H new ATOM 0 HB VAL A 50 5.845 -10.450 4.569 1.00 1.33 H new ATOM 0 HG11 VAL A 50 4.363 -10.553 2.529 1.00 1.25 H new ATOM 0 HG12 VAL A 50 3.928 -11.753 3.769 1.00 1.25 H new ATOM 0 HG13 VAL A 50 2.957 -10.273 3.583 1.00 1.25 H new ATOM 0 HG21 VAL A 50 5.360 -8.497 3.052 1.00 2.30 H new ATOM 0 HG22 VAL A 50 4.062 -8.005 4.165 1.00 2.30 H new ATOM 0 HG23 VAL A 50 5.754 -8.008 4.717 1.00 2.30 H new ATOM 794 N CYS A 51 1.924 -9.572 6.024 1.00 1.10 N ATOM 795 CA CYS A 51 0.778 -8.646 6.079 1.00 1.16 C ATOM 796 C CYS A 51 0.577 -8.020 7.481 1.00 1.43 C ATOM 797 O CYS A 51 0.627 -6.791 7.572 1.00 1.61 O ATOM 798 CB CYS A 51 -0.503 -9.299 5.526 1.00 1.34 C ATOM 799 SG CYS A 51 -0.364 -9.620 3.746 1.00 1.63 S ATOM 0 H CYS A 51 1.676 -10.538 5.810 1.00 1.10 H new ATOM 0 HA CYS A 51 1.016 -7.810 5.422 1.00 1.16 H new ATOM 0 HB2 CYS A 51 -0.693 -10.234 6.053 1.00 1.34 H new ATOM 0 HB3 CYS A 51 -1.356 -8.648 5.715 1.00 1.34 H new ATOM 0 HG CYS A 51 -1.206 -10.550 3.406 1.00 1.63 H new ATOM 805 N PRO A 52 0.337 -8.795 8.559 1.00 1.16 N ATOM 806 CA PRO A 52 0.191 -8.253 9.903 1.00 1.28 C ATOM 807 C PRO A 52 1.452 -7.570 10.439 1.00 1.46 C ATOM 808 O PRO A 52 1.293 -6.633 11.212 1.00 1.39 O ATOM 809 CB PRO A 52 -0.236 -9.427 10.796 1.00 1.49 C ATOM 810 CG PRO A 52 0.190 -10.661 10.008 1.00 1.45 C ATOM 811 CD PRO A 52 -0.043 -10.196 8.576 1.00 1.26 C ATOM 0 HA PRO A 52 -0.554 -7.457 9.893 1.00 1.28 H new ATOM 0 HB2 PRO A 52 0.252 -9.387 11.770 1.00 1.49 H new ATOM 0 HB3 PRO A 52 -1.311 -9.420 10.978 1.00 1.49 H new ATOM 0 HG2 PRO A 52 1.232 -10.926 10.190 1.00 1.45 H new ATOM 0 HG3 PRO A 52 -0.410 -11.536 10.259 1.00 1.45 H new ATOM 0 HD2 PRO A 52 0.556 -10.774 7.873 1.00 1.26 H new ATOM 0 HD3 PRO A 52 -1.086 -10.324 8.286 1.00 1.26 H new ATOM 819 N THR A 53 2.672 -7.976 10.050 1.00 1.07 N ATOM 820 CA THR A 53 3.911 -7.330 10.514 1.00 1.08 C ATOM 821 C THR A 53 4.072 -5.938 9.912 1.00 1.23 C ATOM 822 O THR A 53 4.145 -4.964 10.660 1.00 1.21 O ATOM 823 CB THR A 53 5.141 -8.198 10.224 1.00 1.20 C ATOM 824 OG1 THR A 53 5.201 -8.462 8.850 1.00 2.64 O ATOM 825 CG2 THR A 53 5.099 -9.541 10.952 1.00 1.54 C ATOM 0 H THR A 53 2.827 -8.755 9.410 1.00 1.07 H new ATOM 0 HA THR A 53 3.831 -7.219 11.595 1.00 1.08 H new ATOM 0 HB THR A 53 6.012 -7.643 10.573 1.00 1.20 H new ATOM 0 HG1 THR A 53 6.136 -8.580 8.580 1.00 2.64 H new ATOM 0 HG21 THR A 53 5.994 -10.114 10.710 1.00 1.54 H new ATOM 0 HG22 THR A 53 5.057 -9.371 12.028 1.00 1.54 H new ATOM 0 HG23 THR A 53 4.216 -10.098 10.638 1.00 1.54 H new ATOM 833 N THR A 54 4.025 -5.828 8.576 1.00 0.99 N ATOM 834 CA THR A 54 4.078 -4.548 7.853 1.00 0.95 C ATOM 835 C THR A 54 2.918 -3.643 8.254 1.00 1.02 C ATOM 836 O THR A 54 3.178 -2.509 8.637 1.00 1.07 O ATOM 837 CB THR A 54 4.158 -4.783 6.341 1.00 0.96 C ATOM 838 OG1 THR A 54 5.440 -5.282 6.050 1.00 1.35 O ATOM 839 CG2 THR A 54 3.995 -3.508 5.510 1.00 1.03 C ATOM 0 H THR A 54 3.948 -6.636 7.959 1.00 0.99 H new ATOM 0 HA THR A 54 4.989 -4.022 8.137 1.00 0.95 H new ATOM 0 HB THR A 54 3.346 -5.464 6.086 1.00 0.96 H new ATOM 0 HG1 THR A 54 5.517 -5.443 5.086 1.00 1.35 H new ATOM 0 HG21 THR A 54 4.063 -3.753 4.450 1.00 1.03 H new ATOM 0 HG22 THR A 54 3.023 -3.060 5.717 1.00 1.03 H new ATOM 0 HG23 THR A 54 4.783 -2.801 5.770 1.00 1.03 H new ATOM 847 N LEU A 55 1.662 -4.107 8.239 1.00 0.81 N ATOM 848 CA LEU A 55 0.518 -3.264 8.629 1.00 0.75 C ATOM 849 C LEU A 55 0.594 -2.796 10.094 1.00 1.23 C ATOM 850 O LEU A 55 0.121 -1.693 10.383 1.00 1.43 O ATOM 851 CB LEU A 55 -0.817 -4.002 8.386 1.00 0.73 C ATOM 852 CG LEU A 55 -1.231 -4.240 6.919 1.00 0.82 C ATOM 853 CD1 LEU A 55 -2.453 -5.172 6.880 1.00 1.35 C ATOM 854 CD2 LEU A 55 -1.615 -2.936 6.202 1.00 1.29 C ATOM 0 H LEU A 55 1.410 -5.056 7.963 1.00 0.81 H new ATOM 0 HA LEU A 55 0.564 -2.376 7.999 1.00 0.75 H new ATOM 0 HB2 LEU A 55 -0.764 -4.970 8.884 1.00 0.73 H new ATOM 0 HB3 LEU A 55 -1.610 -3.436 8.874 1.00 0.73 H new ATOM 0 HG LEU A 55 -0.372 -4.679 6.411 1.00 0.82 H new ATOM 0 HD11 LEU A 55 -2.748 -5.342 5.845 1.00 1.35 H new ATOM 0 HD12 LEU A 55 -2.199 -6.124 7.346 1.00 1.35 H new ATOM 0 HD13 LEU A 55 -3.279 -4.712 7.422 1.00 1.35 H new ATOM 0 HD21 LEU A 55 -1.899 -3.157 5.173 1.00 1.29 H new ATOM 0 HD22 LEU A 55 -2.455 -2.471 6.718 1.00 1.29 H new ATOM 0 HD23 LEU A 55 -0.764 -2.255 6.206 1.00 1.29 H new ATOM 866 N LEU A 56 1.210 -3.570 11.003 1.00 0.78 N ATOM 867 CA LEU A 56 1.518 -3.116 12.364 1.00 0.81 C ATOM 868 C LEU A 56 2.589 -2.028 12.345 1.00 1.22 C ATOM 869 O LEU A 56 2.404 -1.014 13.013 1.00 1.34 O ATOM 870 CB LEU A 56 1.924 -4.308 13.255 1.00 0.90 C ATOM 871 CG LEU A 56 2.011 -3.970 14.760 1.00 1.27 C ATOM 872 CD1 LEU A 56 1.658 -5.209 15.594 1.00 1.50 C ATOM 873 CD2 LEU A 56 3.403 -3.480 15.190 1.00 1.88 C ATOM 0 H LEU A 56 1.507 -4.527 10.812 1.00 0.78 H new ATOM 0 HA LEU A 56 0.619 -2.676 12.796 1.00 0.81 H new ATOM 0 HB2 LEU A 56 1.203 -5.114 13.116 1.00 0.90 H new ATOM 0 HB3 LEU A 56 2.891 -4.684 12.922 1.00 0.90 H new ATOM 0 HG LEU A 56 1.302 -3.160 14.933 1.00 1.27 H new ATOM 0 HD11 LEU A 56 1.721 -4.964 16.654 1.00 1.50 H new ATOM 0 HD12 LEU A 56 0.644 -5.531 15.356 1.00 1.50 H new ATOM 0 HD13 LEU A 56 2.357 -6.013 15.365 1.00 1.50 H new ATOM 0 HD21 LEU A 56 3.397 -3.260 16.257 1.00 1.88 H new ATOM 0 HD22 LEU A 56 4.141 -4.255 14.983 1.00 1.88 H new ATOM 0 HD23 LEU A 56 3.659 -2.578 14.635 1.00 1.88 H new ATOM 885 N ALA A 57 3.681 -2.196 11.598 1.00 0.90 N ATOM 886 CA ALA A 57 4.743 -1.191 11.515 1.00 0.97 C ATOM 887 C ALA A 57 4.265 0.125 10.879 1.00 1.09 C ATOM 888 O ALA A 57 4.564 1.202 11.403 1.00 1.33 O ATOM 889 CB ALA A 57 5.911 -1.799 10.747 1.00 1.04 C ATOM 0 H ALA A 57 3.854 -3.029 11.035 1.00 0.90 H new ATOM 0 HA ALA A 57 5.059 -0.922 12.523 1.00 0.97 H new ATOM 0 HB1 ALA A 57 6.716 -1.069 10.671 1.00 1.04 H new ATOM 0 HB2 ALA A 57 6.271 -2.683 11.273 1.00 1.04 H new ATOM 0 HB3 ALA A 57 5.582 -2.081 9.747 1.00 1.04 H new ATOM 895 N LEU A 58 3.454 0.051 9.816 1.00 0.92 N ATOM 896 CA LEU A 58 2.822 1.217 9.193 1.00 0.94 C ATOM 897 C LEU A 58 1.897 1.932 10.187 1.00 1.33 C ATOM 898 O LEU A 58 2.052 3.132 10.405 1.00 1.51 O ATOM 899 CB LEU A 58 2.074 0.831 7.895 1.00 0.98 C ATOM 900 CG LEU A 58 2.918 0.209 6.756 1.00 1.06 C ATOM 901 CD1 LEU A 58 2.118 0.174 5.448 1.00 1.48 C ATOM 902 CD2 LEU A 58 4.256 0.917 6.536 1.00 1.67 C ATOM 0 H LEU A 58 3.217 -0.830 9.361 1.00 0.92 H new ATOM 0 HA LEU A 58 3.611 1.915 8.911 1.00 0.94 H new ATOM 0 HB2 LEU A 58 1.285 0.126 8.156 1.00 0.98 H new ATOM 0 HB3 LEU A 58 1.587 1.725 7.506 1.00 0.98 H new ATOM 0 HG LEU A 58 3.150 -0.808 7.071 1.00 1.06 H new ATOM 0 HD11 LEU A 58 2.729 -0.267 4.660 1.00 1.48 H new ATOM 0 HD12 LEU A 58 1.218 -0.425 5.588 1.00 1.48 H new ATOM 0 HD13 LEU A 58 1.838 1.189 5.166 1.00 1.48 H new ATOM 0 HD21 LEU A 58 4.796 0.430 5.724 1.00 1.67 H new ATOM 0 HD22 LEU A 58 4.077 1.961 6.278 1.00 1.67 H new ATOM 0 HD23 LEU A 58 4.849 0.865 7.449 1.00 1.67 H new ATOM 914 N LYS A 59 0.989 1.226 10.874 1.00 0.84 N ATOM 915 CA LYS A 59 0.143 1.897 11.868 1.00 0.85 C ATOM 916 C LYS A 59 0.939 2.406 13.084 1.00 1.03 C ATOM 917 O LYS A 59 0.601 3.444 13.655 1.00 1.06 O ATOM 918 CB LYS A 59 -1.092 1.039 12.198 1.00 0.93 C ATOM 919 CG LYS A 59 -1.008 0.011 13.338 1.00 0.98 C ATOM 920 CD LYS A 59 -1.060 0.643 14.734 1.00 1.29 C ATOM 921 CE LYS A 59 -1.593 -0.335 15.783 1.00 1.06 C ATOM 922 NZ LYS A 59 -1.924 0.374 17.046 1.00 1.57 N ATOM 0 H LYS A 59 0.824 0.225 10.766 1.00 0.84 H new ATOM 0 HA LYS A 59 -0.248 2.815 11.429 1.00 0.85 H new ATOM 0 HB2 LYS A 59 -1.912 1.719 12.429 1.00 0.93 H new ATOM 0 HB3 LYS A 59 -1.370 0.502 11.291 1.00 0.93 H new ATOM 0 HG2 LYS A 59 -1.829 -0.699 13.238 1.00 0.98 H new ATOM 0 HG3 LYS A 59 -0.082 -0.556 13.238 1.00 0.98 H new ATOM 0 HD2 LYS A 59 -0.062 0.974 15.020 1.00 1.29 H new ATOM 0 HD3 LYS A 59 -1.694 1.529 14.708 1.00 1.29 H new ATOM 0 HE2 LYS A 59 -2.481 -0.838 15.400 1.00 1.06 H new ATOM 0 HE3 LYS A 59 -0.849 -1.107 15.978 1.00 1.06 H new ATOM 0 HZ1 LYS A 59 -2.579 -0.206 17.608 1.00 1.57 H new ATOM 0 HZ2 LYS A 59 -1.053 0.539 17.590 1.00 1.57 H new ATOM 0 HZ3 LYS A 59 -2.372 1.286 16.825 1.00 1.57 H new ATOM 936 N ARG A 60 2.038 1.742 13.455 1.00 0.85 N ATOM 937 CA ARG A 60 2.955 2.214 14.499 1.00 0.87 C ATOM 938 C ARG A 60 3.681 3.509 14.109 1.00 1.29 C ATOM 939 O ARG A 60 4.012 4.286 15.007 1.00 1.26 O ATOM 940 CB ARG A 60 3.957 1.111 14.878 1.00 0.89 C ATOM 941 CG ARG A 60 3.456 0.179 15.993 1.00 1.13 C ATOM 942 CD ARG A 60 3.492 0.895 17.349 1.00 1.81 C ATOM 943 NE ARG A 60 3.226 -0.021 18.474 1.00 2.42 N ATOM 944 CZ ARG A 60 2.407 0.202 19.496 1.00 3.73 C ATOM 945 NH1 ARG A 60 1.498 1.152 19.485 1.00 4.68 N ATOM 946 NH2 ARG A 60 2.499 -0.542 20.578 1.00 4.77 N ATOM 0 H ARG A 60 2.319 0.855 13.037 1.00 0.85 H new ATOM 0 HA ARG A 60 2.348 2.451 15.373 1.00 0.87 H new ATOM 0 HB2 ARG A 60 4.181 0.516 13.993 1.00 0.89 H new ATOM 0 HB3 ARG A 60 4.891 1.574 15.196 1.00 0.89 H new ATOM 0 HG2 ARG A 60 2.439 -0.146 15.774 1.00 1.13 H new ATOM 0 HG3 ARG A 60 4.076 -0.717 16.032 1.00 1.13 H new ATOM 0 HD2 ARG A 60 4.468 1.360 17.486 1.00 1.81 H new ATOM 0 HD3 ARG A 60 2.753 1.696 17.354 1.00 1.81 H new ATOM 0 HE ARG A 60 3.719 -0.914 18.467 1.00 2.42 H new ATOM 0 HH11 ARG A 60 1.400 1.755 18.668 1.00 4.68 H new ATOM 0 HH12 ARG A 60 0.891 1.286 20.293 1.00 4.68 H new ATOM 0 HH21 ARG A 60 3.196 -1.285 20.628 1.00 4.77 H new ATOM 0 HH22 ARG A 60 1.873 -0.376 21.366 1.00 4.77 H new ATOM 960 N ALA A 61 3.879 3.783 12.813 1.00 0.97 N ATOM 961 CA ALA A 61 4.352 5.085 12.345 1.00 1.05 C ATOM 962 C ALA A 61 3.289 6.175 12.540 1.00 1.23 C ATOM 963 O ALA A 61 3.607 7.225 13.083 1.00 1.30 O ATOM 964 CB ALA A 61 4.831 4.972 10.892 1.00 1.18 C ATOM 0 H ALA A 61 3.716 3.109 12.065 1.00 0.97 H new ATOM 0 HA ALA A 61 5.204 5.393 12.951 1.00 1.05 H new ATOM 0 HB1 ALA A 61 5.182 5.945 10.548 1.00 1.18 H new ATOM 0 HB2 ALA A 61 5.646 4.250 10.833 1.00 1.18 H new ATOM 0 HB3 ALA A 61 4.006 4.641 10.262 1.00 1.18 H new ATOM 970 N TYR A 62 2.017 5.917 12.215 1.00 1.13 N ATOM 971 CA TYR A 62 0.893 6.834 12.486 1.00 1.30 C ATOM 972 C TYR A 62 0.757 7.184 13.984 1.00 1.51 C ATOM 973 O TYR A 62 0.515 8.334 14.335 1.00 1.73 O ATOM 974 CB TYR A 62 -0.389 6.196 11.917 1.00 1.45 C ATOM 975 CG TYR A 62 -1.588 7.119 11.817 1.00 1.97 C ATOM 976 CD1 TYR A 62 -2.250 7.559 12.980 1.00 2.97 C ATOM 977 CD2 TYR A 62 -2.077 7.506 10.551 1.00 2.23 C ATOM 978 CE1 TYR A 62 -3.362 8.410 12.889 1.00 3.42 C ATOM 979 CE2 TYR A 62 -3.213 8.330 10.451 1.00 2.72 C ATOM 980 CZ TYR A 62 -3.854 8.786 11.623 1.00 3.02 C ATOM 981 OH TYR A 62 -4.963 9.569 11.547 1.00 3.64 O ATOM 0 H TYR A 62 1.731 5.055 11.750 1.00 1.13 H new ATOM 0 HA TYR A 62 1.080 7.788 11.994 1.00 1.30 H new ATOM 0 HB2 TYR A 62 -0.169 5.805 10.923 1.00 1.45 H new ATOM 0 HB3 TYR A 62 -0.659 5.345 12.542 1.00 1.45 H new ATOM 0 HD1 TYR A 62 -1.899 7.239 13.950 1.00 2.97 H new ATOM 0 HD2 TYR A 62 -1.577 7.168 9.655 1.00 2.23 H new ATOM 0 HE1 TYR A 62 -3.839 8.776 13.786 1.00 3.42 H new ATOM 0 HE2 TYR A 62 -3.593 8.613 9.481 1.00 2.72 H new ATOM 0 HH TYR A 62 -4.945 10.233 12.268 1.00 3.64 H new ATOM 991 N GLU A 63 0.987 6.209 14.872 1.00 1.17 N ATOM 992 CA GLU A 63 1.014 6.404 16.332 1.00 1.35 C ATOM 993 C GLU A 63 2.215 7.244 16.816 1.00 1.49 C ATOM 994 O GLU A 63 2.261 7.643 17.983 1.00 1.82 O ATOM 995 CB GLU A 63 0.990 5.039 17.040 1.00 1.49 C ATOM 996 CG GLU A 63 -0.361 4.327 16.889 1.00 1.68 C ATOM 997 CD GLU A 63 -0.332 2.944 17.529 1.00 2.17 C ATOM 998 OE1 GLU A 63 0.461 2.074 17.113 1.00 2.61 O ATOM 999 OE2 GLU A 63 -1.127 2.641 18.439 1.00 3.08 O ATOM 0 H GLU A 63 1.163 5.244 14.594 1.00 1.17 H new ATOM 0 HA GLU A 63 0.122 6.974 16.592 1.00 1.35 H new ATOM 0 HB2 GLU A 63 1.779 4.407 16.632 1.00 1.49 H new ATOM 0 HB3 GLU A 63 1.208 5.178 18.099 1.00 1.49 H new ATOM 0 HG2 GLU A 63 -1.145 4.928 17.351 1.00 1.68 H new ATOM 0 HG3 GLU A 63 -0.610 4.236 15.832 1.00 1.68 H new ATOM 1006 N LYS A 64 3.235 7.433 15.973 1.00 1.04 N ATOM 1007 CA LYS A 64 4.435 8.248 16.218 1.00 1.05 C ATOM 1008 C LYS A 64 4.463 9.576 15.435 1.00 1.15 C ATOM 1009 O LYS A 64 5.179 10.494 15.843 1.00 1.41 O ATOM 1010 CB LYS A 64 5.668 7.387 15.870 1.00 1.06 C ATOM 1011 CG LYS A 64 6.391 6.708 17.051 1.00 1.46 C ATOM 1012 CD LYS A 64 5.495 6.120 18.154 1.00 2.68 C ATOM 1013 CE LYS A 64 5.312 7.132 19.302 1.00 3.81 C ATOM 1014 NZ LYS A 64 4.000 6.993 19.981 1.00 5.91 N ATOM 0 H LYS A 64 3.249 6.999 15.050 1.00 1.04 H new ATOM 0 HA LYS A 64 4.434 8.540 17.268 1.00 1.05 H new ATOM 0 HB2 LYS A 64 5.356 6.612 15.170 1.00 1.06 H new ATOM 0 HB3 LYS A 64 6.387 8.017 15.347 1.00 1.06 H new ATOM 0 HG2 LYS A 64 7.015 5.907 16.655 1.00 1.46 H new ATOM 0 HG3 LYS A 64 7.060 7.438 17.507 1.00 1.46 H new ATOM 0 HD2 LYS A 64 4.523 5.855 17.738 1.00 2.68 H new ATOM 0 HD3 LYS A 64 5.938 5.202 18.539 1.00 2.68 H new ATOM 0 HE2 LYS A 64 6.111 6.997 20.031 1.00 3.81 H new ATOM 0 HE3 LYS A 64 5.408 8.144 18.908 1.00 3.81 H new ATOM 0 HZ1 LYS A 64 3.848 7.805 20.613 1.00 5.91 H new ATOM 0 HZ2 LYS A 64 3.242 6.962 19.269 1.00 5.91 H new ATOM 0 HZ3 LYS A 64 3.988 6.114 20.537 1.00 5.91 H new ATOM 1028 N LEU A 65 3.705 9.693 14.342 1.00 0.99 N ATOM 1029 CA LEU A 65 3.502 10.919 13.567 1.00 1.05 C ATOM 1030 C LEU A 65 2.832 12.002 14.439 1.00 1.41 C ATOM 1031 O LEU A 65 1.986 11.666 15.272 1.00 1.65 O ATOM 1032 CB LEU A 65 2.651 10.588 12.315 1.00 1.07 C ATOM 1033 CG LEU A 65 3.513 9.990 11.175 1.00 1.21 C ATOM 1034 CD1 LEU A 65 2.683 9.152 10.192 1.00 1.76 C ATOM 1035 CD2 LEU A 65 4.198 11.110 10.388 1.00 1.76 C ATOM 0 H LEU A 65 3.193 8.900 13.956 1.00 0.99 H new ATOM 0 HA LEU A 65 4.463 11.316 13.241 1.00 1.05 H new ATOM 0 HB2 LEU A 65 1.866 9.882 12.586 1.00 1.07 H new ATOM 0 HB3 LEU A 65 2.158 11.493 11.961 1.00 1.07 H new ATOM 0 HG LEU A 65 4.249 9.342 11.650 1.00 1.21 H new ATOM 0 HD11 LEU A 65 3.334 8.756 9.412 1.00 1.76 H new ATOM 0 HD12 LEU A 65 2.211 8.327 10.725 1.00 1.76 H new ATOM 0 HD13 LEU A 65 1.914 9.778 9.739 1.00 1.76 H new ATOM 0 HD21 LEU A 65 4.801 10.677 9.590 1.00 1.76 H new ATOM 0 HD22 LEU A 65 3.442 11.767 9.957 1.00 1.76 H new ATOM 0 HD23 LEU A 65 4.839 11.685 11.056 1.00 1.76 H new ATOM 1047 N PRO A 66 3.167 13.294 14.260 1.00 1.31 N ATOM 1048 CA PRO A 66 2.466 14.369 14.942 1.00 1.48 C ATOM 1049 C PRO A 66 1.041 14.462 14.384 1.00 1.47 C ATOM 1050 O PRO A 66 0.828 14.157 13.201 1.00 1.28 O ATOM 1051 CB PRO A 66 3.275 15.639 14.672 1.00 1.74 C ATOM 1052 CG PRO A 66 3.931 15.359 13.323 1.00 1.68 C ATOM 1053 CD PRO A 66 4.134 13.844 13.326 1.00 1.50 C ATOM 0 HA PRO A 66 2.379 14.208 16.017 1.00 1.48 H new ATOM 0 HB2 PRO A 66 2.637 16.522 14.633 1.00 1.74 H new ATOM 0 HB3 PRO A 66 4.017 15.816 15.451 1.00 1.74 H new ATOM 0 HG2 PRO A 66 3.296 15.676 12.496 1.00 1.68 H new ATOM 0 HG3 PRO A 66 4.878 15.890 13.220 1.00 1.68 H new ATOM 0 HD2 PRO A 66 3.985 13.432 12.328 1.00 1.50 H new ATOM 0 HD3 PRO A 66 5.150 13.591 13.627 1.00 1.50 H new ATOM 1061 N PRO A 67 0.075 14.941 15.188 1.00 1.36 N ATOM 1062 CA PRO A 67 -1.319 15.023 14.777 1.00 1.40 C ATOM 1063 C PRO A 67 -1.536 15.939 13.567 1.00 1.50 C ATOM 1064 O PRO A 67 -2.577 15.821 12.934 1.00 1.43 O ATOM 1065 CB PRO A 67 -2.087 15.504 16.015 1.00 1.59 C ATOM 1066 CG PRO A 67 -1.031 16.249 16.828 1.00 1.70 C ATOM 1067 CD PRO A 67 0.236 15.448 16.542 1.00 1.60 C ATOM 0 HA PRO A 67 -1.678 14.052 14.436 1.00 1.40 H new ATOM 0 HB2 PRO A 67 -2.917 16.156 15.743 1.00 1.59 H new ATOM 0 HB3 PRO A 67 -2.508 14.669 16.575 1.00 1.59 H new ATOM 0 HG2 PRO A 67 -0.934 17.288 16.512 1.00 1.70 H new ATOM 0 HG3 PRO A 67 -1.272 16.261 17.891 1.00 1.70 H new ATOM 0 HD2 PRO A 67 1.124 16.075 16.624 1.00 1.60 H new ATOM 0 HD3 PRO A 67 0.355 14.632 17.255 1.00 1.60 H new ATOM 1075 N LYS A 68 -0.559 16.784 13.196 1.00 1.35 N ATOM 1076 CA LYS A 68 -0.660 17.671 12.028 1.00 1.39 C ATOM 1077 C LYS A 68 -0.185 16.998 10.726 1.00 1.58 C ATOM 1078 O LYS A 68 -0.698 17.306 9.650 1.00 1.60 O ATOM 1079 CB LYS A 68 0.093 18.989 12.322 1.00 1.58 C ATOM 1080 CG LYS A 68 -0.843 20.214 12.321 1.00 1.99 C ATOM 1081 CD LYS A 68 -1.203 20.707 10.907 1.00 2.55 C ATOM 1082 CE LYS A 68 -2.201 21.877 10.958 1.00 2.95 C ATOM 1083 NZ LYS A 68 -3.602 21.403 11.038 1.00 3.02 N ATOM 0 H LYS A 68 0.324 16.870 13.700 1.00 1.35 H new ATOM 0 HA LYS A 68 -1.712 17.900 11.858 1.00 1.39 H new ATOM 0 HB2 LYS A 68 0.587 18.914 13.291 1.00 1.58 H new ATOM 0 HB3 LYS A 68 0.875 19.132 11.576 1.00 1.58 H new ATOM 0 HG2 LYS A 68 -1.760 19.962 12.854 1.00 1.99 H new ATOM 0 HG3 LYS A 68 -0.367 21.026 12.871 1.00 1.99 H new ATOM 0 HD2 LYS A 68 -0.297 21.021 10.388 1.00 2.55 H new ATOM 0 HD3 LYS A 68 -1.631 19.886 10.332 1.00 2.55 H new ATOM 0 HE2 LYS A 68 -1.980 22.505 11.821 1.00 2.95 H new ATOM 0 HE3 LYS A 68 -2.078 22.499 10.071 1.00 2.95 H new ATOM 0 HZ1 LYS A 68 -4.214 22.181 11.356 1.00 3.02 H new ATOM 0 HZ2 LYS A 68 -3.913 21.079 10.100 1.00 3.02 H new ATOM 0 HZ3 LYS A 68 -3.664 20.615 11.714 1.00 3.02 H new ATOM 1097 N ALA A 69 0.780 16.071 10.788 1.00 1.26 N ATOM 1098 CA ALA A 69 1.103 15.195 9.654 1.00 1.21 C ATOM 1099 C ALA A 69 0.078 14.067 9.457 1.00 1.15 C ATOM 1100 O ALA A 69 -0.141 13.671 8.319 1.00 1.21 O ATOM 1101 CB ALA A 69 2.535 14.671 9.770 1.00 1.44 C ATOM 0 H ALA A 69 1.353 15.908 11.616 1.00 1.26 H new ATOM 0 HA ALA A 69 1.041 15.799 8.749 1.00 1.21 H new ATOM 0 HB1 ALA A 69 2.756 14.024 8.921 1.00 1.44 H new ATOM 0 HB2 ALA A 69 3.230 15.510 9.777 1.00 1.44 H new ATOM 0 HB3 ALA A 69 2.641 14.104 10.695 1.00 1.44 H new ATOM 1107 N GLN A 70 -0.609 13.591 10.510 1.00 0.94 N ATOM 1108 CA GLN A 70 -1.659 12.574 10.365 1.00 0.93 C ATOM 1109 C GLN A 70 -2.732 13.049 9.359 1.00 1.03 C ATOM 1110 O GLN A 70 -3.142 12.264 8.513 1.00 1.32 O ATOM 1111 CB GLN A 70 -2.213 12.169 11.755 1.00 1.11 C ATOM 1112 CG GLN A 70 -3.607 12.741 12.032 1.00 1.96 C ATOM 1113 CD GLN A 70 -4.191 12.399 13.398 1.00 2.25 C ATOM 1114 OE1 GLN A 70 -4.565 11.273 13.683 1.00 2.28 O ATOM 1115 NE2 GLN A 70 -4.344 13.370 14.273 1.00 3.25 N ATOM 0 H GLN A 70 -0.454 13.896 11.471 1.00 0.94 H new ATOM 0 HA GLN A 70 -1.243 11.661 9.939 1.00 0.93 H new ATOM 0 HB2 GLN A 70 -2.252 11.082 11.822 1.00 1.11 H new ATOM 0 HB3 GLN A 70 -1.525 12.511 12.528 1.00 1.11 H new ATOM 0 HG2 GLN A 70 -3.563 13.826 11.935 1.00 1.96 H new ATOM 0 HG3 GLN A 70 -4.289 12.380 11.263 1.00 1.96 H new ATOM 0 HE21 GLN A 70 -4.035 14.315 14.045 1.00 3.25 H new ATOM 0 HE22 GLN A 70 -4.772 13.178 15.179 1.00 3.25 H new ATOM 1124 N GLU A 71 -3.079 14.346 9.356 1.00 1.01 N ATOM 1125 CA GLU A 71 -4.005 15.037 8.421 1.00 1.13 C ATOM 1126 C GLU A 71 -3.672 14.819 6.943 1.00 1.27 C ATOM 1127 O GLU A 71 -4.470 15.084 6.038 1.00 1.59 O ATOM 1128 CB GLU A 71 -3.938 16.563 8.634 1.00 1.27 C ATOM 1129 CG GLU A 71 -3.985 16.945 10.108 1.00 1.73 C ATOM 1130 CD GLU A 71 -4.070 18.449 10.373 1.00 2.33 C ATOM 1131 OE1 GLU A 71 -4.129 19.276 9.434 1.00 2.68 O ATOM 1132 OE2 GLU A 71 -3.948 18.837 11.556 1.00 3.40 O ATOM 0 H GLU A 71 -2.699 14.990 10.050 1.00 1.01 H new ATOM 0 HA GLU A 71 -4.985 14.613 8.641 1.00 1.13 H new ATOM 0 HB2 GLU A 71 -3.020 16.949 8.190 1.00 1.27 H new ATOM 0 HB3 GLU A 71 -4.769 17.037 8.112 1.00 1.27 H new ATOM 0 HG2 GLU A 71 -4.845 16.459 10.569 1.00 1.73 H new ATOM 0 HG3 GLU A 71 -3.095 16.552 10.600 1.00 1.73 H new ATOM 1139 N ARG A 72 -2.429 14.415 6.709 1.00 0.88 N ATOM 1140 CA ARG A 72 -1.861 14.062 5.420 1.00 0.88 C ATOM 1141 C ARG A 72 -1.719 12.550 5.202 1.00 1.25 C ATOM 1142 O ARG A 72 -1.661 12.159 4.043 1.00 1.66 O ATOM 1143 CB ARG A 72 -0.503 14.748 5.258 1.00 1.09 C ATOM 1144 CG ARG A 72 -0.617 16.270 5.439 1.00 1.54 C ATOM 1145 CD ARG A 72 0.707 16.878 5.004 1.00 1.87 C ATOM 1146 NE ARG A 72 0.636 18.344 4.867 1.00 2.42 N ATOM 1147 CZ ARG A 72 1.522 19.075 4.195 1.00 2.91 C ATOM 1148 NH1 ARG A 72 2.575 18.542 3.624 1.00 3.57 N ATOM 1149 NH2 ARG A 72 1.360 20.375 4.085 1.00 3.62 N ATOM 0 H ARG A 72 -1.751 14.320 7.465 1.00 0.88 H new ATOM 0 HA ARG A 72 -2.560 14.411 4.660 1.00 0.88 H new ATOM 0 HB2 ARG A 72 0.199 14.345 5.988 1.00 1.09 H new ATOM 0 HB3 ARG A 72 -0.098 14.527 4.271 1.00 1.09 H new ATOM 0 HG2 ARG A 72 -1.437 16.668 4.841 1.00 1.54 H new ATOM 0 HG3 ARG A 72 -0.831 16.518 6.479 1.00 1.54 H new ATOM 0 HD2 ARG A 72 1.478 16.621 5.731 1.00 1.87 H new ATOM 0 HD3 ARG A 72 1.008 16.441 4.052 1.00 1.87 H new ATOM 0 HE ARG A 72 -0.141 18.829 5.316 1.00 2.42 H new ATOM 0 HH11 ARG A 72 2.735 17.537 3.687 1.00 3.57 H new ATOM 0 HH12 ARG A 72 3.234 19.133 3.117 1.00 3.57 H new ATOM 0 HH21 ARG A 72 0.553 20.827 4.516 1.00 3.62 H new ATOM 0 HH22 ARG A 72 2.041 20.932 3.569 1.00 3.62 H new ATOM 1163 N VAL A 73 -1.629 11.699 6.221 1.00 0.77 N ATOM 1164 CA VAL A 73 -1.183 10.298 6.069 1.00 0.78 C ATOM 1165 C VAL A 73 -2.375 9.348 5.928 1.00 1.06 C ATOM 1166 O VAL A 73 -3.342 9.423 6.685 1.00 1.37 O ATOM 1167 CB VAL A 73 -0.228 9.879 7.211 1.00 0.95 C ATOM 1168 CG1 VAL A 73 0.081 8.372 7.243 1.00 1.47 C ATOM 1169 CG2 VAL A 73 1.099 10.648 7.067 1.00 1.99 C ATOM 0 H VAL A 73 -1.862 11.953 7.181 1.00 0.77 H new ATOM 0 HA VAL A 73 -0.611 10.228 5.144 1.00 0.78 H new ATOM 0 HB VAL A 73 -0.739 10.120 8.143 1.00 0.95 H new ATOM 0 HG11 VAL A 73 0.757 8.157 8.071 1.00 1.47 H new ATOM 0 HG12 VAL A 73 -0.845 7.813 7.376 1.00 1.47 H new ATOM 0 HG13 VAL A 73 0.551 8.077 6.305 1.00 1.47 H new ATOM 0 HG21 VAL A 73 1.777 10.357 7.869 1.00 1.99 H new ATOM 0 HG22 VAL A 73 1.553 10.412 6.105 1.00 1.99 H new ATOM 0 HG23 VAL A 73 0.907 11.719 7.125 1.00 1.99 H new ATOM 1179 N GLN A 74 -2.289 8.458 4.937 1.00 0.76 N ATOM 1180 CA GLN A 74 -3.276 7.437 4.592 1.00 0.76 C ATOM 1181 C GLN A 74 -2.512 6.160 4.186 1.00 1.10 C ATOM 1182 O GLN A 74 -1.411 6.257 3.645 1.00 1.41 O ATOM 1183 CB GLN A 74 -4.150 7.991 3.445 1.00 0.96 C ATOM 1184 CG GLN A 74 -5.654 7.757 3.638 1.00 1.52 C ATOM 1185 CD GLN A 74 -6.073 6.325 3.342 1.00 3.19 C ATOM 1186 OE1 GLN A 74 -5.765 5.395 4.071 1.00 4.69 O ATOM 1187 NE2 GLN A 74 -6.760 6.076 2.249 1.00 4.25 N ATOM 0 H GLN A 74 -1.479 8.431 4.318 1.00 0.76 H new ATOM 0 HA GLN A 74 -3.932 7.188 5.426 1.00 0.76 H new ATOM 0 HB2 GLN A 74 -3.969 9.061 3.348 1.00 0.96 H new ATOM 0 HB3 GLN A 74 -3.838 7.529 2.508 1.00 0.96 H new ATOM 0 HG2 GLN A 74 -5.927 8.005 4.664 1.00 1.52 H new ATOM 0 HG3 GLN A 74 -6.208 8.434 2.988 1.00 1.52 H new ATOM 0 HE21 GLN A 74 -7.026 6.841 1.628 1.00 4.25 H new ATOM 0 HE22 GLN A 74 -7.027 5.118 2.022 1.00 4.25 H new ATOM 1196 N VAL A 75 -3.076 4.973 4.421 1.00 0.75 N ATOM 1197 CA VAL A 75 -2.413 3.686 4.134 1.00 0.79 C ATOM 1198 C VAL A 75 -3.416 2.755 3.467 1.00 0.97 C ATOM 1199 O VAL A 75 -4.520 2.561 3.977 1.00 1.25 O ATOM 1200 CB VAL A 75 -1.856 3.023 5.413 1.00 0.89 C ATOM 1201 CG1 VAL A 75 -1.095 1.737 5.056 1.00 1.01 C ATOM 1202 CG2 VAL A 75 -0.918 3.953 6.198 1.00 1.14 C ATOM 0 H VAL A 75 -4.010 4.870 4.818 1.00 0.75 H new ATOM 0 HA VAL A 75 -1.568 3.877 3.473 1.00 0.79 H new ATOM 0 HB VAL A 75 -2.714 2.796 6.046 1.00 0.89 H new ATOM 0 HG11 VAL A 75 -0.707 1.279 5.966 1.00 1.01 H new ATOM 0 HG12 VAL A 75 -1.770 1.041 4.559 1.00 1.01 H new ATOM 0 HG13 VAL A 75 -0.267 1.977 4.390 1.00 1.01 H new ATOM 0 HG21 VAL A 75 -0.555 3.438 7.087 1.00 1.14 H new ATOM 0 HG22 VAL A 75 -0.072 4.232 5.569 1.00 1.14 H new ATOM 0 HG23 VAL A 75 -1.460 4.851 6.495 1.00 1.14 H new ATOM 1212 N ILE A 76 -3.049 2.206 2.305 1.00 0.89 N ATOM 1213 CA ILE A 76 -3.998 1.559 1.394 1.00 0.78 C ATOM 1214 C ILE A 76 -3.560 0.136 1.052 1.00 0.89 C ATOM 1215 O ILE A 76 -2.513 -0.108 0.445 1.00 1.17 O ATOM 1216 CB ILE A 76 -4.231 2.427 0.139 1.00 0.77 C ATOM 1217 CG1 ILE A 76 -4.800 3.797 0.576 1.00 1.15 C ATOM 1218 CG2 ILE A 76 -5.175 1.711 -0.849 1.00 0.73 C ATOM 1219 CD1 ILE A 76 -5.267 4.705 -0.565 1.00 1.56 C ATOM 0 H ILE A 76 -2.086 2.198 1.970 1.00 0.89 H new ATOM 0 HA ILE A 76 -4.958 1.471 1.903 1.00 0.78 H new ATOM 0 HB ILE A 76 -3.286 2.587 -0.380 1.00 0.77 H new ATOM 0 HG12 ILE A 76 -5.640 3.625 1.249 1.00 1.15 H new ATOM 0 HG13 ILE A 76 -4.036 4.324 1.148 1.00 1.15 H new ATOM 0 HG21 ILE A 76 -5.327 2.339 -1.727 1.00 0.73 H new ATOM 0 HG22 ILE A 76 -4.732 0.763 -1.153 1.00 0.73 H new ATOM 0 HG23 ILE A 76 -6.134 1.525 -0.366 1.00 0.73 H new ATOM 0 HD11 ILE A 76 -5.648 5.640 -0.154 1.00 1.56 H new ATOM 0 HD12 ILE A 76 -4.428 4.916 -1.229 1.00 1.56 H new ATOM 0 HD13 ILE A 76 -6.057 4.207 -1.126 1.00 1.56 H new ATOM 1231 N PHE A 77 -4.438 -0.808 1.386 1.00 0.62 N ATOM 1232 CA PHE A 77 -4.314 -2.193 0.970 1.00 0.55 C ATOM 1233 C PHE A 77 -5.216 -2.431 -0.244 1.00 1.36 C ATOM 1234 O PHE A 77 -6.424 -2.207 -0.174 1.00 1.79 O ATOM 1235 CB PHE A 77 -4.689 -3.099 2.149 1.00 0.61 C ATOM 1236 CG PHE A 77 -4.535 -4.564 1.817 1.00 0.78 C ATOM 1237 CD1 PHE A 77 -3.257 -5.147 1.819 1.00 1.90 C ATOM 1238 CD2 PHE A 77 -5.657 -5.328 1.444 1.00 1.77 C ATOM 1239 CE1 PHE A 77 -3.095 -6.500 1.473 1.00 1.75 C ATOM 1240 CE2 PHE A 77 -5.495 -6.671 1.073 1.00 1.91 C ATOM 1241 CZ PHE A 77 -4.216 -7.255 1.104 1.00 1.03 C ATOM 0 H PHE A 77 -5.262 -0.625 1.959 1.00 0.62 H new ATOM 0 HA PHE A 77 -3.290 -2.425 0.677 1.00 0.55 H new ATOM 0 HB2 PHE A 77 -4.061 -2.855 3.006 1.00 0.61 H new ATOM 0 HB3 PHE A 77 -5.720 -2.902 2.443 1.00 0.61 H new ATOM 0 HD1 PHE A 77 -2.395 -4.554 2.087 1.00 1.90 H new ATOM 0 HD2 PHE A 77 -6.640 -4.881 1.443 1.00 1.77 H new ATOM 0 HE1 PHE A 77 -2.115 -6.953 1.491 1.00 1.75 H new ATOM 0 HE2 PHE A 77 -6.350 -7.255 0.765 1.00 1.91 H new ATOM 0 HZ PHE A 77 -4.097 -8.296 0.841 1.00 1.03 H new ATOM 1251 N VAL A 78 -4.637 -2.910 -1.341 1.00 0.55 N ATOM 1252 CA VAL A 78 -5.384 -3.426 -2.499 1.00 0.71 C ATOM 1253 C VAL A 78 -5.275 -4.951 -2.513 1.00 0.95 C ATOM 1254 O VAL A 78 -4.235 -5.519 -2.172 1.00 1.23 O ATOM 1255 CB VAL A 78 -4.912 -2.813 -3.841 1.00 0.90 C ATOM 1256 CG1 VAL A 78 -5.778 -3.247 -5.040 1.00 1.38 C ATOM 1257 CG2 VAL A 78 -4.986 -1.276 -3.794 1.00 1.26 C ATOM 0 H VAL A 78 -3.625 -2.954 -1.459 1.00 0.55 H new ATOM 0 HA VAL A 78 -6.428 -3.130 -2.394 1.00 0.71 H new ATOM 0 HB VAL A 78 -3.891 -3.171 -3.974 1.00 0.90 H new ATOM 0 HG11 VAL A 78 -5.397 -2.785 -5.950 1.00 1.38 H new ATOM 0 HG12 VAL A 78 -5.742 -4.332 -5.141 1.00 1.38 H new ATOM 0 HG13 VAL A 78 -6.809 -2.932 -4.877 1.00 1.38 H new ATOM 0 HG21 VAL A 78 -4.650 -0.866 -4.747 1.00 1.26 H new ATOM 0 HG22 VAL A 78 -6.015 -0.967 -3.609 1.00 1.26 H new ATOM 0 HG23 VAL A 78 -4.346 -0.905 -2.994 1.00 1.26 H new ATOM 1267 N SER A 79 -6.375 -5.594 -2.900 1.00 0.72 N ATOM 1268 CA SER A 79 -6.451 -7.031 -3.151 1.00 0.78 C ATOM 1269 C SER A 79 -5.573 -7.493 -4.329 1.00 0.73 C ATOM 1270 O SER A 79 -4.891 -6.695 -4.976 1.00 1.32 O ATOM 1271 CB SER A 79 -7.916 -7.391 -3.399 1.00 1.21 C ATOM 1272 OG SER A 79 -8.421 -6.730 -4.545 1.00 2.74 O ATOM 0 H SER A 79 -7.263 -5.116 -3.052 1.00 0.72 H new ATOM 0 HA SER A 79 -6.061 -7.551 -2.276 1.00 0.78 H new ATOM 0 HB2 SER A 79 -8.011 -8.469 -3.527 1.00 1.21 H new ATOM 0 HB3 SER A 79 -8.512 -7.120 -2.528 1.00 1.21 H new ATOM 0 HG SER A 79 -9.279 -7.128 -4.801 1.00 2.74 H new ATOM 1278 N VAL A 80 -5.593 -8.794 -4.635 1.00 1.05 N ATOM 1279 CA VAL A 80 -4.948 -9.339 -5.850 1.00 1.08 C ATOM 1280 C VAL A 80 -5.840 -10.363 -6.560 1.00 1.64 C ATOM 1281 O VAL A 80 -5.776 -10.473 -7.787 1.00 1.88 O ATOM 1282 CB VAL A 80 -3.559 -9.948 -5.532 1.00 1.28 C ATOM 1283 CG1 VAL A 80 -2.875 -10.512 -6.789 1.00 2.60 C ATOM 1284 CG2 VAL A 80 -2.575 -8.918 -4.946 1.00 1.47 C ATOM 0 H VAL A 80 -6.051 -9.500 -4.058 1.00 1.05 H new ATOM 0 HA VAL A 80 -4.801 -8.501 -6.531 1.00 1.08 H new ATOM 0 HB VAL A 80 -3.771 -10.733 -4.806 1.00 1.28 H new ATOM 0 HG11 VAL A 80 -1.905 -10.929 -6.519 1.00 2.60 H new ATOM 0 HG12 VAL A 80 -3.498 -11.294 -7.222 1.00 2.60 H new ATOM 0 HG13 VAL A 80 -2.737 -9.713 -7.518 1.00 2.60 H new ATOM 0 HG21 VAL A 80 -1.620 -9.402 -4.743 1.00 1.47 H new ATOM 0 HG22 VAL A 80 -2.427 -8.108 -5.661 1.00 1.47 H new ATOM 0 HG23 VAL A 80 -2.981 -8.514 -4.019 1.00 1.47 H new ATOM 1294 N ASP A 81 -6.697 -11.083 -5.826 1.00 1.17 N ATOM 1295 CA ASP A 81 -7.548 -12.140 -6.369 1.00 1.24 C ATOM 1296 C ASP A 81 -9.027 -11.794 -6.136 1.00 1.33 C ATOM 1297 O ASP A 81 -9.640 -12.305 -5.196 1.00 1.61 O ATOM 1298 CB ASP A 81 -7.119 -13.463 -5.719 1.00 1.35 C ATOM 1299 CG ASP A 81 -7.590 -14.709 -6.469 1.00 2.10 C ATOM 1300 OD1 ASP A 81 -8.468 -14.610 -7.351 1.00 3.03 O ATOM 1301 OD2 ASP A 81 -7.016 -15.796 -6.221 1.00 2.76 O ATOM 0 H ASP A 81 -6.818 -10.943 -4.823 1.00 1.17 H new ATOM 0 HA ASP A 81 -7.433 -12.239 -7.448 1.00 1.24 H new ATOM 0 HB2 ASP A 81 -6.032 -13.484 -5.648 1.00 1.35 H new ATOM 0 HB3 ASP A 81 -7.506 -13.497 -4.701 1.00 1.35 H new ATOM 1306 N PRO A 82 -9.629 -10.916 -6.963 1.00 1.18 N ATOM 1307 CA PRO A 82 -11.005 -10.460 -6.772 1.00 1.34 C ATOM 1308 C PRO A 82 -12.058 -11.560 -6.974 1.00 1.57 C ATOM 1309 O PRO A 82 -13.213 -11.340 -6.618 1.00 1.90 O ATOM 1310 CB PRO A 82 -11.188 -9.295 -7.746 1.00 1.65 C ATOM 1311 CG PRO A 82 -10.179 -9.583 -8.855 1.00 1.64 C ATOM 1312 CD PRO A 82 -9.024 -10.234 -8.097 1.00 1.33 C ATOM 0 HA PRO A 82 -11.161 -10.154 -5.738 1.00 1.34 H new ATOM 0 HB2 PRO A 82 -12.206 -9.254 -8.133 1.00 1.65 H new ATOM 0 HB3 PRO A 82 -10.991 -8.337 -7.265 1.00 1.65 H new ATOM 0 HG2 PRO A 82 -10.591 -10.248 -9.614 1.00 1.64 H new ATOM 0 HG3 PRO A 82 -9.866 -8.672 -9.365 1.00 1.64 H new ATOM 0 HD2 PRO A 82 -8.485 -10.936 -8.733 1.00 1.33 H new ATOM 0 HD3 PRO A 82 -8.303 -9.487 -7.765 1.00 1.33 H new ATOM 1320 N GLU A 83 -11.673 -12.751 -7.459 1.00 1.27 N ATOM 1321 CA GLU A 83 -12.517 -13.956 -7.418 1.00 1.41 C ATOM 1322 C GLU A 83 -12.787 -14.423 -5.974 1.00 1.64 C ATOM 1323 O GLU A 83 -13.758 -15.137 -5.719 1.00 2.13 O ATOM 1324 CB GLU A 83 -11.815 -15.113 -8.149 1.00 1.42 C ATOM 1325 CG GLU A 83 -11.481 -14.872 -9.628 1.00 1.74 C ATOM 1326 CD GLU A 83 -10.487 -15.924 -10.115 1.00 1.99 C ATOM 1327 OE1 GLU A 83 -10.590 -17.104 -9.716 1.00 2.78 O ATOM 1328 OE2 GLU A 83 -9.495 -15.570 -10.785 1.00 2.45 O ATOM 0 H GLU A 83 -10.763 -12.906 -7.893 1.00 1.27 H new ATOM 0 HA GLU A 83 -13.461 -13.695 -7.897 1.00 1.41 H new ATOM 0 HB2 GLU A 83 -10.889 -15.342 -7.621 1.00 1.42 H new ATOM 0 HB3 GLU A 83 -12.448 -15.997 -8.080 1.00 1.42 H new ATOM 0 HG2 GLU A 83 -12.391 -14.914 -10.227 1.00 1.74 H new ATOM 0 HG3 GLU A 83 -11.061 -13.875 -9.757 1.00 1.74 H new ATOM 1335 N ARG A 84 -11.913 -14.038 -5.033 1.00 1.27 N ATOM 1336 CA ARG A 84 -11.908 -14.496 -3.642 1.00 1.32 C ATOM 1337 C ARG A 84 -11.841 -13.342 -2.617 1.00 1.59 C ATOM 1338 O ARG A 84 -12.262 -13.523 -1.471 1.00 1.77 O ATOM 1339 CB ARG A 84 -10.732 -15.491 -3.471 1.00 1.44 C ATOM 1340 CG ARG A 84 -11.102 -16.760 -2.679 1.00 1.99 C ATOM 1341 CD ARG A 84 -11.743 -16.388 -1.347 1.00 3.42 C ATOM 1342 NE ARG A 84 -12.100 -17.527 -0.494 1.00 4.07 N ATOM 1343 CZ ARG A 84 -12.834 -17.391 0.604 1.00 5.50 C ATOM 1344 NH1 ARG A 84 -13.226 -16.197 1.010 1.00 6.64 N ATOM 1345 NH2 ARG A 84 -13.172 -18.451 1.303 1.00 6.39 N ATOM 0 H ARG A 84 -11.164 -13.375 -5.230 1.00 1.27 H new ATOM 0 HA ARG A 84 -12.856 -14.992 -3.433 1.00 1.32 H new ATOM 0 HB2 ARG A 84 -10.368 -15.782 -4.456 1.00 1.44 H new ATOM 0 HB3 ARG A 84 -9.910 -14.985 -2.965 1.00 1.44 H new ATOM 0 HG2 ARG A 84 -11.790 -17.373 -3.262 1.00 1.99 H new ATOM 0 HG3 ARG A 84 -10.209 -17.361 -2.505 1.00 1.99 H new ATOM 0 HD2 ARG A 84 -11.057 -15.743 -0.798 1.00 3.42 H new ATOM 0 HD3 ARG A 84 -12.642 -15.804 -1.544 1.00 3.42 H new ATOM 0 HE ARG A 84 -11.772 -18.457 -0.754 1.00 4.07 H new ATOM 0 HH11 ARG A 84 -12.965 -15.366 0.478 1.00 6.64 H new ATOM 0 HH12 ARG A 84 -13.790 -16.105 1.855 1.00 6.64 H new ATOM 0 HH21 ARG A 84 -12.870 -19.378 1.002 1.00 6.39 H new ATOM 0 HH22 ARG A 84 -13.736 -18.347 2.147 1.00 6.39 H new ATOM 1359 N ASP A 85 -11.366 -12.167 -3.010 1.00 1.24 N ATOM 1360 CA ASP A 85 -11.205 -10.968 -2.194 1.00 1.26 C ATOM 1361 C ASP A 85 -12.379 -10.000 -2.481 1.00 1.61 C ATOM 1362 O ASP A 85 -12.308 -9.253 -3.457 1.00 2.13 O ATOM 1363 CB ASP A 85 -9.860 -10.297 -2.572 1.00 1.60 C ATOM 1364 CG ASP A 85 -8.580 -11.132 -2.368 1.00 2.09 C ATOM 1365 OD1 ASP A 85 -8.579 -12.001 -1.462 1.00 2.54 O ATOM 1366 OD2 ASP A 85 -7.560 -10.796 -3.021 1.00 3.27 O ATOM 0 H ASP A 85 -11.062 -12.015 -3.972 1.00 1.24 H new ATOM 0 HA ASP A 85 -11.204 -11.222 -1.134 1.00 1.26 H new ATOM 0 HB2 ASP A 85 -9.910 -10.005 -3.621 1.00 1.60 H new ATOM 0 HB3 ASP A 85 -9.763 -9.381 -1.990 1.00 1.60 H new ATOM 1371 N PRO A 86 -13.478 -9.973 -1.704 1.00 1.17 N ATOM 1372 CA PRO A 86 -14.527 -8.966 -1.871 1.00 1.30 C ATOM 1373 C PRO A 86 -14.134 -7.648 -1.164 1.00 1.25 C ATOM 1374 O PRO A 86 -13.487 -7.715 -0.114 1.00 1.02 O ATOM 1375 CB PRO A 86 -15.784 -9.590 -1.267 1.00 1.46 C ATOM 1376 CG PRO A 86 -15.216 -10.477 -0.162 1.00 1.25 C ATOM 1377 CD PRO A 86 -13.897 -10.981 -0.746 1.00 1.07 C ATOM 0 HA PRO A 86 -14.687 -8.702 -2.916 1.00 1.30 H new ATOM 0 HB2 PRO A 86 -16.462 -8.834 -0.872 1.00 1.46 H new ATOM 0 HB3 PRO A 86 -16.344 -10.167 -2.003 1.00 1.46 H new ATOM 0 HG2 PRO A 86 -15.058 -9.917 0.760 1.00 1.25 H new ATOM 0 HG3 PRO A 86 -15.889 -11.300 0.077 1.00 1.25 H new ATOM 0 HD2 PRO A 86 -13.149 -11.113 0.035 1.00 1.07 H new ATOM 0 HD3 PRO A 86 -14.028 -11.949 -1.229 1.00 1.07 H new ATOM 1385 N PRO A 87 -14.550 -6.467 -1.685 1.00 1.01 N ATOM 1386 CA PRO A 87 -14.120 -5.141 -1.217 1.00 1.00 C ATOM 1387 C PRO A 87 -14.142 -4.964 0.298 1.00 1.02 C ATOM 1388 O PRO A 87 -13.172 -4.465 0.861 1.00 0.82 O ATOM 1389 CB PRO A 87 -15.032 -4.115 -1.908 1.00 1.30 C ATOM 1390 CG PRO A 87 -15.965 -4.913 -2.818 1.00 1.14 C ATOM 1391 CD PRO A 87 -15.350 -6.309 -2.891 1.00 1.03 C ATOM 0 HA PRO A 87 -13.071 -5.003 -1.479 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -15.600 -3.544 -1.174 1.00 1.30 H new ATOM 0 HB3 PRO A 87 -14.445 -3.400 -2.484 1.00 1.30 H new ATOM 0 HG2 PRO A 87 -16.976 -4.948 -2.413 1.00 1.14 H new ATOM 0 HG3 PRO A 87 -16.034 -4.460 -3.807 1.00 1.14 H new ATOM 0 HD2 PRO A 87 -16.125 -7.073 -2.946 1.00 1.03 H new ATOM 0 HD3 PRO A 87 -14.733 -6.416 -3.783 1.00 1.03 H new ATOM 1399 N GLU A 88 -15.215 -5.420 0.952 1.00 0.76 N ATOM 1400 CA GLU A 88 -15.372 -5.441 2.409 1.00 0.73 C ATOM 1401 C GLU A 88 -14.173 -6.060 3.131 1.00 1.11 C ATOM 1402 O GLU A 88 -13.660 -5.488 4.083 1.00 1.46 O ATOM 1403 CB GLU A 88 -16.629 -6.271 2.739 1.00 0.91 C ATOM 1404 CG GLU A 88 -17.897 -5.428 2.898 1.00 1.41 C ATOM 1405 CD GLU A 88 -18.272 -5.377 4.373 1.00 2.78 C ATOM 1406 OE1 GLU A 88 -17.678 -4.569 5.111 1.00 4.22 O ATOM 1407 OE2 GLU A 88 -19.052 -6.241 4.818 1.00 3.12 O ATOM 0 H GLU A 88 -16.027 -5.798 0.464 1.00 0.76 H new ATOM 0 HA GLU A 88 -15.456 -4.410 2.752 1.00 0.73 H new ATOM 0 HB2 GLU A 88 -16.787 -7.005 1.948 1.00 0.91 H new ATOM 0 HB3 GLU A 88 -16.455 -6.827 3.660 1.00 0.91 H new ATOM 0 HG2 GLU A 88 -17.731 -4.421 2.516 1.00 1.41 H new ATOM 0 HG3 GLU A 88 -18.712 -5.859 2.316 1.00 1.41 H new ATOM 1414 N VAL A 89 -13.738 -7.245 2.702 1.00 0.75 N ATOM 1415 CA VAL A 89 -12.759 -8.076 3.424 1.00 0.77 C ATOM 1416 C VAL A 89 -11.339 -7.500 3.312 1.00 1.04 C ATOM 1417 O VAL A 89 -10.550 -7.632 4.250 1.00 0.91 O ATOM 1418 CB VAL A 89 -12.873 -9.558 3.002 1.00 0.78 C ATOM 1419 CG1 VAL A 89 -11.901 -10.496 3.737 1.00 0.88 C ATOM 1420 CG2 VAL A 89 -14.287 -10.085 3.327 1.00 1.17 C ATOM 0 H VAL A 89 -14.058 -7.666 1.830 1.00 0.75 H new ATOM 0 HA VAL A 89 -12.995 -8.050 4.488 1.00 0.77 H new ATOM 0 HB VAL A 89 -12.640 -9.567 1.937 1.00 0.78 H new ATOM 0 HG11 VAL A 89 -12.044 -11.517 3.384 1.00 0.88 H new ATOM 0 HG12 VAL A 89 -10.875 -10.184 3.540 1.00 0.88 H new ATOM 0 HG13 VAL A 89 -12.094 -10.452 4.809 1.00 0.88 H new ATOM 0 HG21 VAL A 89 -14.363 -11.130 3.028 1.00 1.17 H new ATOM 0 HG22 VAL A 89 -14.470 -10.000 4.398 1.00 1.17 H new ATOM 0 HG23 VAL A 89 -15.028 -9.497 2.785 1.00 1.17 H new ATOM 1430 N ALA A 90 -11.044 -6.785 2.217 1.00 0.82 N ATOM 1431 CA ALA A 90 -9.862 -5.927 2.128 1.00 0.91 C ATOM 1432 C ALA A 90 -9.921 -4.777 3.151 1.00 1.03 C ATOM 1433 O ALA A 90 -8.917 -4.486 3.804 1.00 1.11 O ATOM 1434 CB ALA A 90 -9.732 -5.416 0.685 1.00 1.04 C ATOM 0 H ALA A 90 -11.618 -6.787 1.374 1.00 0.82 H new ATOM 0 HA ALA A 90 -8.971 -6.503 2.379 1.00 0.91 H new ATOM 0 HB1 ALA A 90 -8.854 -4.775 0.604 1.00 1.04 H new ATOM 0 HB2 ALA A 90 -9.626 -6.263 0.007 1.00 1.04 H new ATOM 0 HB3 ALA A 90 -10.623 -4.847 0.419 1.00 1.04 H new ATOM 1440 N ASP A 91 -11.082 -4.137 3.334 1.00 0.75 N ATOM 1441 CA ASP A 91 -11.242 -3.037 4.296 1.00 0.72 C ATOM 1442 C ASP A 91 -11.193 -3.528 5.745 1.00 0.96 C ATOM 1443 O ASP A 91 -10.493 -2.920 6.550 1.00 1.02 O ATOM 1444 CB ASP A 91 -12.510 -2.230 3.993 1.00 0.79 C ATOM 1445 CG ASP A 91 -12.492 -0.870 4.703 1.00 0.93 C ATOM 1446 OD1 ASP A 91 -11.669 -0.015 4.289 1.00 1.79 O ATOM 1447 OD2 ASP A 91 -13.276 -0.682 5.661 1.00 1.68 O ATOM 0 H ASP A 91 -11.934 -4.365 2.822 1.00 0.75 H new ATOM 0 HA ASP A 91 -10.392 -2.365 4.179 1.00 0.72 H new ATOM 0 HB2 ASP A 91 -12.598 -2.079 2.917 1.00 0.79 H new ATOM 0 HB3 ASP A 91 -13.387 -2.795 4.309 1.00 0.79 H new ATOM 1452 N ARG A 92 -11.825 -4.661 6.078 1.00 0.64 N ATOM 1453 CA ARG A 92 -11.744 -5.232 7.428 1.00 0.71 C ATOM 1454 C ARG A 92 -10.289 -5.411 7.858 1.00 1.30 C ATOM 1455 O ARG A 92 -9.912 -4.965 8.937 1.00 1.62 O ATOM 1456 CB ARG A 92 -12.451 -6.592 7.532 1.00 0.88 C ATOM 1457 CG ARG A 92 -13.914 -6.667 7.098 1.00 0.98 C ATOM 1458 CD ARG A 92 -14.758 -5.424 7.417 1.00 2.18 C ATOM 1459 NE ARG A 92 -16.190 -5.645 7.158 1.00 2.53 N ATOM 1460 CZ ARG A 92 -17.068 -6.317 7.881 1.00 2.89 C ATOM 1461 NH1 ARG A 92 -16.739 -6.887 9.024 1.00 3.01 N ATOM 1462 NH2 ARG A 92 -18.299 -6.425 7.445 1.00 4.05 N ATOM 0 H ARG A 92 -12.399 -5.201 5.430 1.00 0.64 H new ATOM 0 HA ARG A 92 -12.248 -4.524 8.086 1.00 0.71 H new ATOM 0 HB2 ARG A 92 -11.887 -7.310 6.936 1.00 0.88 H new ATOM 0 HB3 ARG A 92 -12.391 -6.923 8.569 1.00 0.88 H new ATOM 0 HG2 ARG A 92 -13.948 -6.843 6.023 1.00 0.98 H new ATOM 0 HG3 ARG A 92 -14.374 -7.531 7.577 1.00 0.98 H new ATOM 0 HD2 ARG A 92 -14.617 -5.150 8.462 1.00 2.18 H new ATOM 0 HD3 ARG A 92 -14.407 -4.584 6.817 1.00 2.18 H new ATOM 0 HE ARG A 92 -16.554 -5.222 6.304 1.00 2.53 H new ATOM 0 HH11 ARG A 92 -15.783 -6.816 9.373 1.00 3.01 H new ATOM 0 HH12 ARG A 92 -17.440 -7.399 9.559 1.00 3.01 H new ATOM 0 HH21 ARG A 92 -18.566 -5.994 6.560 1.00 4.05 H new ATOM 0 HH22 ARG A 92 -18.990 -6.940 7.990 1.00 4.05 H new ATOM 1476 N TYR A 93 -9.469 -6.046 7.017 1.00 0.80 N ATOM 1477 CA TYR A 93 -8.059 -6.281 7.348 1.00 0.91 C ATOM 1478 C TYR A 93 -7.241 -4.974 7.452 1.00 1.29 C ATOM 1479 O TYR A 93 -6.415 -4.845 8.354 1.00 1.54 O ATOM 1480 CB TYR A 93 -7.428 -7.286 6.368 1.00 0.94 C ATOM 1481 CG TYR A 93 -6.398 -8.181 7.040 1.00 1.11 C ATOM 1482 CD1 TYR A 93 -5.162 -7.656 7.462 1.00 2.21 C ATOM 1483 CD2 TYR A 93 -6.716 -9.523 7.328 1.00 1.75 C ATOM 1484 CE1 TYR A 93 -4.247 -8.463 8.165 1.00 2.31 C ATOM 1485 CE2 TYR A 93 -5.809 -10.336 8.035 1.00 2.12 C ATOM 1486 CZ TYR A 93 -4.576 -9.800 8.470 1.00 1.77 C ATOM 1487 OH TYR A 93 -3.725 -10.551 9.220 1.00 2.34 O ATOM 0 H TYR A 93 -9.754 -6.406 6.106 1.00 0.80 H new ATOM 0 HA TYR A 93 -8.032 -6.723 8.344 1.00 0.91 H new ATOM 0 HB2 TYR A 93 -8.212 -7.904 5.930 1.00 0.94 H new ATOM 0 HB3 TYR A 93 -6.955 -6.743 5.549 1.00 0.94 H new ATOM 0 HD1 TYR A 93 -4.914 -6.628 7.245 1.00 2.21 H new ATOM 0 HD2 TYR A 93 -7.662 -9.931 7.004 1.00 1.75 H new ATOM 0 HE1 TYR A 93 -3.293 -8.058 8.471 1.00 2.31 H new ATOM 0 HE2 TYR A 93 -6.055 -11.367 8.244 1.00 2.12 H new ATOM 0 HH TYR A 93 -4.100 -11.448 9.340 1.00 2.34 H new ATOM 1497 N ALA A 94 -7.490 -3.986 6.586 1.00 0.86 N ATOM 1498 CA ALA A 94 -6.802 -2.689 6.631 1.00 0.92 C ATOM 1499 C ALA A 94 -7.166 -1.883 7.897 1.00 1.04 C ATOM 1500 O ALA A 94 -6.295 -1.422 8.637 1.00 1.13 O ATOM 1501 CB ALA A 94 -7.155 -1.939 5.336 1.00 0.95 C ATOM 0 H ALA A 94 -8.174 -4.062 5.833 1.00 0.86 H new ATOM 0 HA ALA A 94 -5.724 -2.835 6.692 1.00 0.92 H new ATOM 0 HB1 ALA A 94 -6.661 -0.967 5.332 1.00 0.95 H new ATOM 0 HB2 ALA A 94 -6.820 -2.520 4.476 1.00 0.95 H new ATOM 0 HB3 ALA A 94 -8.234 -1.797 5.280 1.00 0.95 H new ATOM 1507 N LYS A 95 -8.461 -1.777 8.188 1.00 0.84 N ATOM 1508 CA LYS A 95 -9.020 -1.058 9.346 1.00 0.87 C ATOM 1509 C LYS A 95 -8.691 -1.732 10.687 1.00 1.06 C ATOM 1510 O LYS A 95 -8.692 -1.056 11.718 1.00 1.19 O ATOM 1511 CB LYS A 95 -10.554 -0.974 9.220 1.00 0.92 C ATOM 1512 CG LYS A 95 -11.116 -0.204 8.019 1.00 1.45 C ATOM 1513 CD LYS A 95 -10.967 1.317 8.078 1.00 1.35 C ATOM 1514 CE LYS A 95 -11.715 1.879 6.859 1.00 1.64 C ATOM 1515 NZ LYS A 95 -11.526 3.338 6.702 1.00 2.64 N ATOM 0 H LYS A 95 -9.182 -2.203 7.606 1.00 0.84 H new ATOM 0 HA LYS A 95 -8.564 -0.068 9.340 1.00 0.87 H new ATOM 0 HB2 LYS A 95 -10.946 -1.990 9.184 1.00 0.92 H new ATOM 0 HB3 LYS A 95 -10.943 -0.514 10.128 1.00 0.92 H new ATOM 0 HG2 LYS A 95 -10.622 -0.564 7.116 1.00 1.45 H new ATOM 0 HG3 LYS A 95 -12.175 -0.443 7.920 1.00 1.45 H new ATOM 0 HD2 LYS A 95 -11.384 1.712 9.004 1.00 1.35 H new ATOM 0 HD3 LYS A 95 -9.916 1.605 8.054 1.00 1.35 H new ATOM 0 HE2 LYS A 95 -11.368 1.372 5.959 1.00 1.64 H new ATOM 0 HE3 LYS A 95 -12.779 1.662 6.958 1.00 1.64 H new ATOM 0 HZ1 LYS A 95 -12.178 3.696 5.976 1.00 2.64 H new ATOM 0 HZ2 LYS A 95 -11.720 3.813 7.607 1.00 2.64 H new ATOM 0 HZ3 LYS A 95 -10.546 3.532 6.413 1.00 2.64 H new ATOM 1529 N ALA A 96 -8.400 -3.042 10.688 1.00 0.95 N ATOM 1530 CA ALA A 96 -8.099 -3.806 11.902 1.00 0.97 C ATOM 1531 C ALA A 96 -6.800 -3.341 12.566 1.00 1.17 C ATOM 1532 O ALA A 96 -6.640 -3.487 13.775 1.00 1.28 O ATOM 1533 CB ALA A 96 -8.009 -5.291 11.547 1.00 1.10 C ATOM 0 H ALA A 96 -8.368 -3.603 9.837 1.00 0.95 H new ATOM 0 HA ALA A 96 -8.902 -3.639 12.619 1.00 0.97 H new ATOM 0 HB1 ALA A 96 -7.785 -5.867 12.445 1.00 1.10 H new ATOM 0 HB2 ALA A 96 -8.960 -5.624 11.130 1.00 1.10 H new ATOM 0 HB3 ALA A 96 -7.218 -5.442 10.813 1.00 1.10 H new ATOM 1539 N PHE A 97 -5.891 -2.753 11.783 1.00 1.05 N ATOM 1540 CA PHE A 97 -4.683 -2.135 12.312 1.00 1.06 C ATOM 1541 C PHE A 97 -4.928 -0.735 12.862 1.00 2.07 C ATOM 1542 O PHE A 97 -4.420 -0.405 13.936 1.00 2.39 O ATOM 1543 CB PHE A 97 -3.609 -2.189 11.222 1.00 1.13 C ATOM 1544 CG PHE A 97 -2.963 -3.545 11.304 1.00 1.20 C ATOM 1545 CD1 PHE A 97 -2.040 -3.776 12.335 1.00 2.10 C ATOM 1546 CD2 PHE A 97 -3.457 -4.617 10.540 1.00 2.02 C ATOM 1547 CE1 PHE A 97 -1.613 -5.085 12.610 1.00 2.16 C ATOM 1548 CE2 PHE A 97 -3.012 -5.921 10.804 1.00 1.82 C ATOM 1549 CZ PHE A 97 -2.092 -6.156 11.840 1.00 1.32 C ATOM 0 H PHE A 97 -5.976 -2.695 10.768 1.00 1.05 H new ATOM 0 HA PHE A 97 -4.332 -2.693 13.180 1.00 1.06 H new ATOM 0 HB2 PHE A 97 -4.051 -2.032 10.238 1.00 1.13 H new ATOM 0 HB3 PHE A 97 -2.871 -1.401 11.370 1.00 1.13 H new ATOM 0 HD1 PHE A 97 -1.659 -2.949 12.916 1.00 2.10 H new ATOM 0 HD2 PHE A 97 -4.175 -4.437 9.754 1.00 2.02 H new ATOM 0 HE1 PHE A 97 -0.916 -5.268 13.414 1.00 2.16 H new ATOM 0 HE2 PHE A 97 -3.377 -6.746 10.210 1.00 1.82 H new ATOM 0 HZ PHE A 97 -1.753 -7.161 12.044 1.00 1.32 H new ATOM 1559 N HIS A 98 -5.712 0.081 12.156 1.00 1.04 N ATOM 1560 CA HIS A 98 -6.082 1.438 12.565 1.00 1.02 C ATOM 1561 C HIS A 98 -7.197 1.977 11.639 1.00 1.23 C ATOM 1562 O HIS A 98 -7.136 1.689 10.445 1.00 1.34 O ATOM 1563 CB HIS A 98 -4.814 2.316 12.515 1.00 1.19 C ATOM 1564 CG HIS A 98 -4.909 3.573 13.337 1.00 1.90 C ATOM 1565 ND1 HIS A 98 -5.009 4.871 12.883 1.00 2.66 N ATOM 1566 CD2 HIS A 98 -4.949 3.623 14.705 1.00 2.59 C ATOM 1567 CE1 HIS A 98 -5.135 5.669 13.954 1.00 3.42 C ATOM 1568 NE2 HIS A 98 -5.116 4.952 15.089 1.00 3.48 N ATOM 0 H HIS A 98 -6.118 -0.190 11.260 1.00 1.04 H new ATOM 0 HA HIS A 98 -6.476 1.448 13.581 1.00 1.02 H new ATOM 0 HB2 HIS A 98 -3.964 1.729 12.863 1.00 1.19 H new ATOM 0 HB3 HIS A 98 -4.612 2.586 11.479 1.00 1.19 H new ATOM 0 HD2 HIS A 98 -4.865 2.777 15.372 1.00 2.59 H new ATOM 0 HE1 HIS A 98 -5.238 6.743 13.909 1.00 3.42 H new ATOM 0 HE2 HIS A 98 -5.206 5.308 16.041 1.00 3.48 H new ATOM 1577 N PRO A 99 -8.185 2.768 12.110 1.00 0.99 N ATOM 1578 CA PRO A 99 -9.309 3.212 11.275 1.00 1.11 C ATOM 1579 C PRO A 99 -8.915 4.188 10.152 1.00 1.38 C ATOM 1580 O PRO A 99 -9.630 4.284 9.156 1.00 1.36 O ATOM 1581 CB PRO A 99 -10.315 3.841 12.246 1.00 1.35 C ATOM 1582 CG PRO A 99 -9.452 4.285 13.426 1.00 1.33 C ATOM 1583 CD PRO A 99 -8.386 3.194 13.488 1.00 1.10 C ATOM 0 HA PRO A 99 -9.727 2.363 10.735 1.00 1.11 H new ATOM 0 HB2 PRO A 99 -10.836 4.684 11.792 1.00 1.35 H new ATOM 0 HB3 PRO A 99 -11.076 3.124 12.554 1.00 1.35 H new ATOM 0 HG2 PRO A 99 -9.015 5.270 13.261 1.00 1.33 H new ATOM 0 HG3 PRO A 99 -10.027 4.343 14.350 1.00 1.33 H new ATOM 0 HD2 PRO A 99 -7.460 3.574 13.920 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -8.712 2.362 14.112 1.00 1.10 H new ATOM 1591 N SER A 100 -7.770 4.870 10.276 1.00 1.20 N ATOM 1592 CA SER A 100 -7.180 5.760 9.255 1.00 1.35 C ATOM 1593 C SER A 100 -6.649 5.062 7.985 1.00 1.37 C ATOM 1594 O SER A 100 -5.978 5.708 7.182 1.00 1.53 O ATOM 1595 CB SER A 100 -6.028 6.565 9.881 1.00 1.58 C ATOM 1596 OG SER A 100 -6.324 6.997 11.199 1.00 2.51 O ATOM 0 H SER A 100 -7.203 4.818 11.122 1.00 1.20 H new ATOM 0 HA SER A 100 -8.005 6.392 8.928 1.00 1.35 H new ATOM 0 HB2 SER A 100 -5.127 5.952 9.896 1.00 1.58 H new ATOM 0 HB3 SER A 100 -5.813 7.432 9.257 1.00 1.58 H new ATOM 0 HG SER A 100 -5.777 7.780 11.417 1.00 2.51 H new ATOM 1602 N PHE A 101 -6.901 3.759 7.820 1.00 1.13 N ATOM 1603 CA PHE A 101 -6.511 2.948 6.665 1.00 1.08 C ATOM 1604 C PHE A 101 -7.707 2.787 5.704 1.00 1.95 C ATOM 1605 O PHE A 101 -8.852 3.053 6.083 1.00 2.51 O ATOM 1606 CB PHE A 101 -6.039 1.565 7.167 1.00 1.05 C ATOM 1607 CG PHE A 101 -4.640 1.473 7.764 1.00 1.33 C ATOM 1608 CD1 PHE A 101 -4.193 2.377 8.747 1.00 2.61 C ATOM 1609 CD2 PHE A 101 -3.771 0.452 7.333 1.00 1.79 C ATOM 1610 CE1 PHE A 101 -2.869 2.329 9.218 1.00 2.82 C ATOM 1611 CE2 PHE A 101 -2.459 0.377 7.834 1.00 1.83 C ATOM 1612 CZ PHE A 101 -1.997 1.333 8.748 1.00 2.01 C ATOM 0 H PHE A 101 -7.406 3.217 8.522 1.00 1.13 H new ATOM 0 HA PHE A 101 -5.701 3.438 6.125 1.00 1.08 H new ATOM 0 HB2 PHE A 101 -6.749 1.220 7.919 1.00 1.05 H new ATOM 0 HB3 PHE A 101 -6.095 0.867 6.332 1.00 1.05 H new ATOM 0 HD1 PHE A 101 -4.875 3.115 9.143 1.00 2.61 H new ATOM 0 HD2 PHE A 101 -4.114 -0.277 6.614 1.00 1.79 H new ATOM 0 HE1 PHE A 101 -2.524 3.055 9.939 1.00 2.82 H new ATOM 0 HE2 PHE A 101 -1.805 -0.420 7.513 1.00 1.83 H new ATOM 0 HZ PHE A 101 -0.973 1.304 9.090 1.00 2.01 H new ATOM 1622 N LEU A 102 -7.481 2.271 4.491 1.00 0.84 N ATOM 1623 CA LEU A 102 -8.560 1.824 3.590 1.00 0.73 C ATOM 1624 C LEU A 102 -8.225 0.525 2.842 1.00 0.93 C ATOM 1625 O LEU A 102 -7.074 0.307 2.455 1.00 1.20 O ATOM 1626 CB LEU A 102 -8.886 2.967 2.607 1.00 0.71 C ATOM 1627 CG LEU A 102 -10.239 2.806 1.882 1.00 0.82 C ATOM 1628 CD1 LEU A 102 -11.431 3.076 2.814 1.00 1.67 C ATOM 1629 CD2 LEU A 102 -10.314 3.772 0.698 1.00 1.94 C ATOM 0 H LEU A 102 -6.546 2.150 4.102 1.00 0.84 H new ATOM 0 HA LEU A 102 -9.434 1.589 4.198 1.00 0.73 H new ATOM 0 HB2 LEU A 102 -8.888 3.911 3.152 1.00 0.71 H new ATOM 0 HB3 LEU A 102 -8.092 3.030 1.863 1.00 0.71 H new ATOM 0 HG LEU A 102 -10.298 1.773 1.539 1.00 0.82 H new ATOM 0 HD11 LEU A 102 -12.361 2.951 2.260 1.00 1.67 H new ATOM 0 HD12 LEU A 102 -11.408 2.374 3.647 1.00 1.67 H new ATOM 0 HD13 LEU A 102 -11.371 4.095 3.196 1.00 1.67 H new ATOM 0 HD21 LEU A 102 -11.272 3.653 0.191 1.00 1.94 H new ATOM 0 HD22 LEU A 102 -10.219 4.797 1.058 1.00 1.94 H new ATOM 0 HD23 LEU A 102 -9.505 3.556 0.000 1.00 1.94 H new ATOM 1641 N GLY A 103 -9.243 -0.313 2.598 1.00 0.64 N ATOM 1642 CA GLY A 103 -9.148 -1.505 1.747 1.00 0.62 C ATOM 1643 C GLY A 103 -9.968 -1.420 0.457 1.00 0.72 C ATOM 1644 O GLY A 103 -11.078 -0.882 0.437 1.00 0.94 O ATOM 0 H GLY A 103 -10.173 -0.177 2.995 1.00 0.64 H new ATOM 0 HA2 GLY A 103 -8.102 -1.672 1.489 1.00 0.62 H new ATOM 0 HA3 GLY A 103 -9.478 -2.373 2.318 1.00 0.62 H new ATOM 1648 N LEU A 104 -9.412 -1.975 -0.620 1.00 0.53 N ATOM 1649 CA LEU A 104 -9.959 -1.896 -1.976 1.00 0.56 C ATOM 1650 C LEU A 104 -9.930 -3.283 -2.651 1.00 1.18 C ATOM 1651 O LEU A 104 -8.907 -3.968 -2.666 1.00 1.44 O ATOM 1652 CB LEU A 104 -9.151 -0.829 -2.755 1.00 0.54 C ATOM 1653 CG LEU A 104 -9.217 0.607 -2.175 1.00 0.72 C ATOM 1654 CD1 LEU A 104 -8.178 1.522 -2.838 1.00 0.84 C ATOM 1655 CD2 LEU A 104 -10.610 1.230 -2.335 1.00 1.19 C ATOM 0 H LEU A 104 -8.543 -2.508 -0.572 1.00 0.53 H new ATOM 0 HA LEU A 104 -11.006 -1.594 -1.959 1.00 0.56 H new ATOM 0 HB2 LEU A 104 -8.107 -1.141 -2.790 1.00 0.54 H new ATOM 0 HB3 LEU A 104 -9.511 -0.804 -3.784 1.00 0.54 H new ATOM 0 HG LEU A 104 -8.997 0.518 -1.111 1.00 0.72 H new ATOM 0 HD11 LEU A 104 -8.249 2.522 -2.411 1.00 0.84 H new ATOM 0 HD12 LEU A 104 -7.179 1.123 -2.665 1.00 0.84 H new ATOM 0 HD13 LEU A 104 -8.368 1.571 -3.910 1.00 0.84 H new ATOM 0 HD21 LEU A 104 -10.609 2.236 -1.915 1.00 1.19 H new ATOM 0 HD22 LEU A 104 -10.867 1.279 -3.393 1.00 1.19 H new ATOM 0 HD23 LEU A 104 -11.344 0.618 -1.811 1.00 1.19 H new ATOM 1667 N SER A 105 -11.071 -3.741 -3.170 1.00 0.77 N ATOM 1668 CA SER A 105 -11.153 -4.852 -4.128 1.00 0.87 C ATOM 1669 C SER A 105 -12.364 -4.697 -5.054 1.00 1.16 C ATOM 1670 O SER A 105 -13.375 -4.134 -4.635 1.00 1.43 O ATOM 1671 CB SER A 105 -11.255 -6.205 -3.418 1.00 0.90 C ATOM 1672 OG SER A 105 -11.016 -7.242 -4.353 1.00 1.10 O ATOM 0 H SER A 105 -11.981 -3.345 -2.934 1.00 0.77 H new ATOM 0 HA SER A 105 -10.235 -4.822 -4.714 1.00 0.87 H new ATOM 0 HB2 SER A 105 -10.531 -6.258 -2.605 1.00 0.90 H new ATOM 0 HB3 SER A 105 -12.243 -6.322 -2.972 1.00 0.90 H new ATOM 0 HG SER A 105 -11.169 -8.110 -3.925 1.00 1.10 H new ATOM 1678 N GLY A 106 -12.335 -5.270 -6.262 1.00 1.08 N ATOM 1679 CA GLY A 106 -13.477 -5.239 -7.180 1.00 1.28 C ATOM 1680 C GLY A 106 -13.130 -5.660 -8.597 1.00 1.11 C ATOM 1681 O GLY A 106 -12.468 -6.673 -8.806 1.00 1.11 O ATOM 0 H GLY A 106 -11.523 -5.766 -6.629 1.00 1.08 H new ATOM 0 HA2 GLY A 106 -14.259 -5.895 -6.796 1.00 1.28 H new ATOM 0 HA3 GLY A 106 -13.889 -4.230 -7.200 1.00 1.28 H new ATOM 1685 N SER A 107 -13.614 -4.898 -9.573 1.00 1.17 N ATOM 1686 CA SER A 107 -13.501 -5.197 -10.998 1.00 1.33 C ATOM 1687 C SER A 107 -12.077 -5.626 -11.416 1.00 1.30 C ATOM 1688 O SER A 107 -11.106 -4.905 -11.132 1.00 1.18 O ATOM 1689 CB SER A 107 -13.972 -3.989 -11.812 1.00 1.58 C ATOM 1690 OG SER A 107 -13.904 -4.248 -13.206 1.00 1.67 O ATOM 0 H SER A 107 -14.112 -4.027 -9.389 1.00 1.17 H new ATOM 0 HA SER A 107 -14.143 -6.053 -11.205 1.00 1.33 H new ATOM 0 HB2 SER A 107 -14.996 -3.739 -11.536 1.00 1.58 H new ATOM 0 HB3 SER A 107 -13.356 -3.123 -11.570 1.00 1.58 H new ATOM 0 HG SER A 107 -14.212 -3.460 -13.701 1.00 1.67 H new ATOM 1696 N PRO A 108 -11.936 -6.785 -12.100 1.00 1.44 N ATOM 1697 CA PRO A 108 -10.641 -7.394 -12.368 1.00 1.50 C ATOM 1698 C PRO A 108 -9.764 -6.435 -13.157 1.00 1.54 C ATOM 1699 O PRO A 108 -8.651 -6.169 -12.716 1.00 1.61 O ATOM 1700 CB PRO A 108 -10.921 -8.707 -13.109 1.00 1.75 C ATOM 1701 CG PRO A 108 -12.311 -8.501 -13.707 1.00 1.81 C ATOM 1702 CD PRO A 108 -12.994 -7.599 -12.678 1.00 1.70 C ATOM 0 HA PRO A 108 -10.088 -7.609 -11.454 1.00 1.50 H new ATOM 0 HB2 PRO A 108 -10.177 -8.896 -13.883 1.00 1.75 H new ATOM 0 HB3 PRO A 108 -10.900 -9.561 -12.432 1.00 1.75 H new ATOM 0 HG2 PRO A 108 -12.263 -8.030 -14.689 1.00 1.81 H new ATOM 0 HG3 PRO A 108 -12.841 -9.445 -13.832 1.00 1.81 H new ATOM 0 HD2 PRO A 108 -13.754 -6.975 -13.148 1.00 1.70 H new ATOM 0 HD3 PRO A 108 -13.496 -8.190 -11.912 1.00 1.70 H new ATOM 1710 N GLU A 109 -10.283 -5.825 -14.228 1.00 1.15 N ATOM 1711 CA GLU A 109 -9.511 -4.871 -15.033 1.00 0.97 C ATOM 1712 C GLU A 109 -9.132 -3.592 -14.268 1.00 1.14 C ATOM 1713 O GLU A 109 -8.081 -3.017 -14.537 1.00 1.33 O ATOM 1714 CB GLU A 109 -10.238 -4.528 -16.346 1.00 0.98 C ATOM 1715 CG GLU A 109 -10.576 -5.757 -17.205 1.00 1.25 C ATOM 1716 CD GLU A 109 -9.413 -6.746 -17.271 1.00 2.71 C ATOM 1717 OE1 GLU A 109 -8.396 -6.423 -17.923 1.00 4.10 O ATOM 1718 OE2 GLU A 109 -9.523 -7.774 -16.571 1.00 3.33 O ATOM 0 H GLU A 109 -11.236 -5.975 -14.558 1.00 1.15 H new ATOM 0 HA GLU A 109 -8.575 -5.375 -15.273 1.00 0.97 H new ATOM 0 HB2 GLU A 109 -11.159 -3.995 -16.112 1.00 0.98 H new ATOM 0 HB3 GLU A 109 -9.616 -3.849 -16.929 1.00 0.98 H new ATOM 0 HG2 GLU A 109 -11.454 -6.256 -16.794 1.00 1.25 H new ATOM 0 HG3 GLU A 109 -10.835 -5.434 -18.213 1.00 1.25 H new ATOM 1725 N ALA A 110 -9.903 -3.181 -13.255 1.00 0.81 N ATOM 1726 CA ALA A 110 -9.535 -2.067 -12.372 1.00 0.72 C ATOM 1727 C ALA A 110 -8.342 -2.435 -11.469 1.00 0.83 C ATOM 1728 O ALA A 110 -7.366 -1.684 -11.401 1.00 0.83 O ATOM 1729 CB ALA A 110 -10.776 -1.645 -11.567 1.00 0.76 C ATOM 0 H ALA A 110 -10.799 -3.610 -13.024 1.00 0.81 H new ATOM 0 HA ALA A 110 -9.202 -1.218 -12.969 1.00 0.72 H new ATOM 0 HB1 ALA A 110 -10.517 -0.818 -10.906 1.00 0.76 H new ATOM 0 HB2 ALA A 110 -11.564 -1.330 -12.251 1.00 0.76 H new ATOM 0 HB3 ALA A 110 -11.128 -2.488 -10.972 1.00 0.76 H new ATOM 1735 N VAL A 111 -8.373 -3.628 -10.854 1.00 0.76 N ATOM 1736 CA VAL A 111 -7.204 -4.189 -10.134 1.00 0.75 C ATOM 1737 C VAL A 111 -6.001 -4.343 -11.089 1.00 1.12 C ATOM 1738 O VAL A 111 -4.859 -4.067 -10.715 1.00 0.96 O ATOM 1739 CB VAL A 111 -7.534 -5.549 -9.468 1.00 0.84 C ATOM 1740 CG1 VAL A 111 -6.323 -6.157 -8.736 1.00 1.09 C ATOM 1741 CG2 VAL A 111 -8.687 -5.425 -8.453 1.00 1.33 C ATOM 0 H VAL A 111 -9.196 -4.230 -10.838 1.00 0.76 H new ATOM 0 HA VAL A 111 -6.944 -3.486 -9.343 1.00 0.75 H new ATOM 0 HB VAL A 111 -7.826 -6.205 -10.288 1.00 0.84 H new ATOM 0 HG11 VAL A 111 -6.609 -7.108 -8.288 1.00 1.09 H new ATOM 0 HG12 VAL A 111 -5.513 -6.320 -9.446 1.00 1.09 H new ATOM 0 HG13 VAL A 111 -5.989 -5.474 -7.955 1.00 1.09 H new ATOM 0 HG21 VAL A 111 -8.887 -6.400 -8.009 1.00 1.33 H new ATOM 0 HG22 VAL A 111 -8.408 -4.720 -7.670 1.00 1.33 H new ATOM 0 HG23 VAL A 111 -9.582 -5.067 -8.961 1.00 1.33 H new ATOM 1751 N ARG A 112 -6.265 -4.743 -12.340 1.00 0.93 N ATOM 1752 CA ARG A 112 -5.266 -4.968 -13.379 1.00 1.11 C ATOM 1753 C ARG A 112 -4.596 -3.667 -13.824 1.00 1.21 C ATOM 1754 O ARG A 112 -3.379 -3.696 -14.026 1.00 1.41 O ATOM 1755 CB ARG A 112 -5.924 -5.692 -14.574 1.00 1.40 C ATOM 1756 CG ARG A 112 -4.927 -6.384 -15.506 1.00 1.68 C ATOM 1757 CD ARG A 112 -4.293 -7.614 -14.837 1.00 2.71 C ATOM 1758 NE ARG A 112 -3.052 -8.028 -15.509 1.00 3.37 N ATOM 1759 CZ ARG A 112 -1.898 -7.370 -15.460 1.00 4.13 C ATOM 1760 NH1 ARG A 112 -1.734 -6.247 -14.789 1.00 4.77 N ATOM 1761 NH2 ARG A 112 -0.853 -7.813 -16.119 1.00 5.23 N ATOM 0 H ARG A 112 -7.216 -4.924 -12.662 1.00 0.93 H new ATOM 0 HA ARG A 112 -4.477 -5.596 -12.966 1.00 1.11 H new ATOM 0 HB2 ARG A 112 -6.627 -6.434 -14.194 1.00 1.40 H new ATOM 0 HB3 ARG A 112 -6.503 -4.970 -15.149 1.00 1.40 H new ATOM 0 HG2 ARG A 112 -5.434 -6.687 -16.422 1.00 1.68 H new ATOM 0 HG3 ARG A 112 -4.145 -5.680 -15.792 1.00 1.68 H new ATOM 0 HD2 ARG A 112 -4.082 -7.390 -13.792 1.00 2.71 H new ATOM 0 HD3 ARG A 112 -5.004 -8.440 -14.848 1.00 2.71 H new ATOM 0 HE ARG A 112 -3.079 -8.888 -16.056 1.00 3.37 H new ATOM 0 HH11 ARG A 112 -2.516 -5.842 -14.274 1.00 4.77 H new ATOM 0 HH12 ARG A 112 -0.826 -5.783 -14.785 1.00 4.77 H new ATOM 0 HH21 ARG A 112 -0.924 -8.667 -16.673 1.00 5.23 H new ATOM 0 HH22 ARG A 112 0.030 -7.304 -16.077 1.00 5.23 H new ATOM 1775 N GLU A 113 -5.347 -2.565 -13.936 1.00 0.89 N ATOM 1776 CA GLU A 113 -4.852 -1.206 -14.152 1.00 0.88 C ATOM 1777 C GLU A 113 -3.791 -0.836 -13.109 1.00 1.18 C ATOM 1778 O GLU A 113 -2.609 -0.738 -13.431 1.00 1.42 O ATOM 1779 CB GLU A 113 -6.064 -0.251 -14.067 1.00 0.95 C ATOM 1780 CG GLU A 113 -6.204 0.640 -15.291 1.00 1.17 C ATOM 1781 CD GLU A 113 -5.376 1.926 -15.185 1.00 2.55 C ATOM 1782 OE1 GLU A 113 -4.244 1.854 -14.652 1.00 3.55 O ATOM 1783 OE2 GLU A 113 -5.890 2.976 -15.621 1.00 3.67 O ATOM 0 H GLU A 113 -6.365 -2.602 -13.875 1.00 0.89 H new ATOM 0 HA GLU A 113 -4.375 -1.129 -15.129 1.00 0.88 H new ATOM 0 HB2 GLU A 113 -6.974 -0.838 -13.945 1.00 0.95 H new ATOM 0 HB3 GLU A 113 -5.966 0.373 -13.179 1.00 0.95 H new ATOM 0 HG2 GLU A 113 -5.894 0.085 -16.176 1.00 1.17 H new ATOM 0 HG3 GLU A 113 -7.254 0.899 -15.429 1.00 1.17 H new ATOM 1790 N ALA A 114 -4.186 -0.791 -11.831 1.00 0.71 N ATOM 1791 CA ALA A 114 -3.340 -0.324 -10.732 1.00 0.68 C ATOM 1792 C ALA A 114 -2.025 -1.104 -10.608 1.00 0.94 C ATOM 1793 O ALA A 114 -0.991 -0.527 -10.281 1.00 1.00 O ATOM 1794 CB ALA A 114 -4.157 -0.442 -9.450 1.00 0.64 C ATOM 0 H ALA A 114 -5.116 -1.083 -11.530 1.00 0.71 H new ATOM 0 HA ALA A 114 -3.047 0.708 -10.927 1.00 0.68 H new ATOM 0 HB1 ALA A 114 -3.559 -0.102 -8.605 1.00 0.64 H new ATOM 0 HB2 ALA A 114 -5.053 0.174 -9.531 1.00 0.64 H new ATOM 0 HB3 ALA A 114 -4.444 -1.482 -9.296 1.00 0.64 H new ATOM 1800 N ALA A 115 -2.060 -2.399 -10.917 1.00 0.72 N ATOM 1801 CA ALA A 115 -0.872 -3.226 -11.003 1.00 0.81 C ATOM 1802 C ALA A 115 0.081 -2.739 -12.108 1.00 0.94 C ATOM 1803 O ALA A 115 1.242 -2.453 -11.815 1.00 1.01 O ATOM 1804 CB ALA A 115 -1.332 -4.665 -11.222 1.00 0.87 C ATOM 0 H ALA A 115 -2.925 -2.902 -11.115 1.00 0.72 H new ATOM 0 HA ALA A 115 -0.296 -3.162 -10.080 1.00 0.81 H new ATOM 0 HB1 ALA A 115 -0.462 -5.318 -11.292 1.00 0.87 H new ATOM 0 HB2 ALA A 115 -1.956 -4.979 -10.385 1.00 0.87 H new ATOM 0 HB3 ALA A 115 -1.907 -4.727 -12.146 1.00 0.87 H new ATOM 1810 N GLN A 116 -0.393 -2.583 -13.353 1.00 0.84 N ATOM 1811 CA GLN A 116 0.427 -2.064 -14.453 1.00 0.85 C ATOM 1812 C GLN A 116 0.967 -0.673 -14.132 1.00 1.13 C ATOM 1813 O GLN A 116 2.160 -0.420 -14.311 1.00 1.21 O ATOM 1814 CB GLN A 116 -0.395 -1.959 -15.752 1.00 0.92 C ATOM 1815 CG GLN A 116 -0.816 -3.307 -16.341 1.00 1.32 C ATOM 1816 CD GLN A 116 0.365 -4.201 -16.704 1.00 1.94 C ATOM 1817 OE1 GLN A 116 0.542 -5.291 -16.170 1.00 2.30 O ATOM 1818 NE2 GLN A 116 1.236 -3.774 -17.593 1.00 3.03 N ATOM 0 H GLN A 116 -1.350 -2.812 -13.623 1.00 0.84 H new ATOM 0 HA GLN A 116 1.253 -2.763 -14.584 1.00 0.85 H new ATOM 0 HB2 GLN A 116 -1.289 -1.366 -15.556 1.00 0.92 H new ATOM 0 HB3 GLN A 116 0.190 -1.417 -16.496 1.00 0.92 H new ATOM 0 HG2 GLN A 116 -1.450 -3.828 -15.623 1.00 1.32 H new ATOM 0 HG3 GLN A 116 -1.419 -3.134 -17.232 1.00 1.32 H new ATOM 0 HE21 GLN A 116 1.102 -2.870 -18.045 1.00 3.03 H new ATOM 0 HE22 GLN A 116 2.046 -4.347 -17.830 1.00 3.03 H new ATOM 1827 N THR A 117 0.075 0.203 -13.672 1.00 0.93 N ATOM 1828 CA THR A 117 0.301 1.645 -13.551 1.00 1.10 C ATOM 1829 C THR A 117 1.271 1.984 -12.425 1.00 1.30 C ATOM 1830 O THR A 117 2.053 2.921 -12.573 1.00 1.36 O ATOM 1831 CB THR A 117 -1.064 2.339 -13.488 1.00 1.45 C ATOM 1832 OG1 THR A 117 -1.646 2.066 -14.743 1.00 1.78 O ATOM 1833 CG2 THR A 117 -0.973 3.856 -13.325 1.00 1.73 C ATOM 0 H THR A 117 -0.855 -0.079 -13.363 1.00 0.93 H new ATOM 0 HA THR A 117 0.816 2.035 -14.429 1.00 1.10 H new ATOM 0 HB THR A 117 -1.626 1.977 -12.627 1.00 1.45 H new ATOM 0 HG1 THR A 117 -2.603 2.277 -14.713 1.00 1.78 H new ATOM 0 HG21 THR A 117 -1.977 4.279 -13.288 1.00 1.73 H new ATOM 0 HG22 THR A 117 -0.446 4.092 -12.401 1.00 1.73 H new ATOM 0 HG23 THR A 117 -0.431 4.281 -14.170 1.00 1.73 H new ATOM 1841 N PHE A 118 1.337 1.192 -11.352 1.00 1.04 N ATOM 1842 CA PHE A 118 2.462 1.209 -10.407 1.00 1.05 C ATOM 1843 C PHE A 118 3.739 0.564 -10.986 1.00 1.91 C ATOM 1844 O PHE A 118 4.800 1.199 -10.978 1.00 2.43 O ATOM 1845 CB PHE A 118 2.043 0.556 -9.082 1.00 0.94 C ATOM 1846 CG PHE A 118 1.350 1.529 -8.147 1.00 0.94 C ATOM 1847 CD1 PHE A 118 0.087 2.061 -8.471 1.00 2.18 C ATOM 1848 CD2 PHE A 118 2.010 1.964 -6.979 1.00 1.92 C ATOM 1849 CE1 PHE A 118 -0.508 3.024 -7.640 1.00 2.11 C ATOM 1850 CE2 PHE A 118 1.415 2.928 -6.149 1.00 1.93 C ATOM 1851 CZ PHE A 118 0.160 3.460 -6.488 1.00 1.23 C ATOM 0 H PHE A 118 0.610 0.518 -11.111 1.00 1.04 H new ATOM 0 HA PHE A 118 2.719 2.251 -10.218 1.00 1.05 H new ATOM 0 HB2 PHE A 118 1.376 -0.281 -9.288 1.00 0.94 H new ATOM 0 HB3 PHE A 118 2.924 0.148 -8.588 1.00 0.94 H new ATOM 0 HD1 PHE A 118 -0.425 1.727 -9.361 1.00 2.18 H new ATOM 0 HD2 PHE A 118 2.976 1.555 -6.722 1.00 1.92 H new ATOM 0 HE1 PHE A 118 -1.478 3.428 -7.888 1.00 2.11 H new ATOM 0 HE2 PHE A 118 1.920 3.259 -5.254 1.00 1.93 H new ATOM 0 HZ PHE A 118 -0.293 4.210 -5.857 1.00 1.23 H new ATOM 1861 N GLY A 119 3.611 -0.663 -11.507 1.00 0.86 N ATOM 1862 CA GLY A 119 4.693 -1.583 -11.920 1.00 0.83 C ATOM 1863 C GLY A 119 4.718 -2.902 -11.147 1.00 0.79 C ATOM 1864 O GLY A 119 5.786 -3.465 -10.938 1.00 0.90 O ATOM 0 H GLY A 119 2.690 -1.072 -11.664 1.00 0.86 H new ATOM 0 HA2 GLY A 119 4.586 -1.799 -12.983 1.00 0.83 H new ATOM 0 HA3 GLY A 119 5.652 -1.080 -11.792 1.00 0.83 H new ATOM 1868 N VAL A 120 3.550 -3.379 -10.723 1.00 0.65 N ATOM 1869 CA VAL A 120 3.302 -4.646 -10.021 1.00 0.58 C ATOM 1870 C VAL A 120 2.786 -5.700 -10.999 1.00 0.82 C ATOM 1871 O VAL A 120 1.984 -5.413 -11.888 1.00 1.02 O ATOM 1872 CB VAL A 120 2.290 -4.420 -8.870 1.00 0.62 C ATOM 1873 CG1 VAL A 120 1.538 -5.671 -8.369 1.00 0.89 C ATOM 1874 CG2 VAL A 120 3.032 -3.748 -7.710 1.00 1.13 C ATOM 0 H VAL A 120 2.687 -2.856 -10.869 1.00 0.65 H new ATOM 0 HA VAL A 120 4.238 -5.008 -9.594 1.00 0.58 H new ATOM 0 HB VAL A 120 1.500 -3.791 -9.281 1.00 0.62 H new ATOM 0 HG11 VAL A 120 0.859 -5.389 -7.564 1.00 0.89 H new ATOM 0 HG12 VAL A 120 0.967 -6.106 -9.190 1.00 0.89 H new ATOM 0 HG13 VAL A 120 2.256 -6.403 -7.999 1.00 0.89 H new ATOM 0 HG21 VAL A 120 2.340 -3.578 -6.885 1.00 1.13 H new ATOM 0 HG22 VAL A 120 3.844 -4.393 -7.375 1.00 1.13 H new ATOM 0 HG23 VAL A 120 3.441 -2.794 -8.043 1.00 1.13 H new ATOM 1884 N PHE A 121 3.231 -6.939 -10.797 1.00 0.69 N ATOM 1885 CA PHE A 121 2.868 -8.114 -11.579 1.00 0.76 C ATOM 1886 C PHE A 121 2.425 -9.260 -10.651 1.00 1.67 C ATOM 1887 O PHE A 121 2.994 -9.450 -9.576 1.00 1.66 O ATOM 1888 CB PHE A 121 4.056 -8.478 -12.487 1.00 0.85 C ATOM 1889 CG PHE A 121 5.419 -8.508 -11.809 1.00 0.88 C ATOM 1890 CD1 PHE A 121 6.195 -7.330 -11.693 1.00 2.30 C ATOM 1891 CD2 PHE A 121 5.911 -9.724 -11.291 1.00 1.98 C ATOM 1892 CE1 PHE A 121 7.461 -7.385 -11.081 1.00 2.24 C ATOM 1893 CE2 PHE A 121 7.174 -9.771 -10.677 1.00 1.93 C ATOM 1894 CZ PHE A 121 7.952 -8.604 -10.577 1.00 1.09 C ATOM 0 H PHE A 121 3.886 -7.159 -10.047 1.00 0.69 H new ATOM 0 HA PHE A 121 2.011 -7.910 -12.221 1.00 0.76 H new ATOM 0 HB2 PHE A 121 3.867 -9.458 -12.926 1.00 0.85 H new ATOM 0 HB3 PHE A 121 4.095 -7.762 -13.308 1.00 0.85 H new ATOM 0 HD1 PHE A 121 5.817 -6.392 -12.073 1.00 2.30 H new ATOM 0 HD2 PHE A 121 5.315 -10.622 -11.366 1.00 1.98 H new ATOM 0 HE1 PHE A 121 8.058 -6.489 -10.998 1.00 2.24 H new ATOM 0 HE2 PHE A 121 7.547 -10.704 -10.282 1.00 1.93 H new ATOM 0 HZ PHE A 121 8.927 -8.643 -10.113 1.00 1.09 H new ATOM 1904 N TYR A 122 1.349 -9.955 -11.042 1.00 0.76 N ATOM 1905 CA TYR A 122 0.753 -11.082 -10.307 1.00 0.78 C ATOM 1906 C TYR A 122 0.215 -12.176 -11.249 1.00 1.21 C ATOM 1907 O TYR A 122 -0.376 -11.856 -12.287 1.00 1.42 O ATOM 1908 CB TYR A 122 -0.345 -10.567 -9.362 1.00 0.81 C ATOM 1909 CG TYR A 122 -1.584 -9.978 -10.025 1.00 0.95 C ATOM 1910 CD1 TYR A 122 -1.610 -8.625 -10.423 1.00 1.95 C ATOM 1911 CD2 TYR A 122 -2.740 -10.770 -10.190 1.00 1.92 C ATOM 1912 CE1 TYR A 122 -2.782 -8.068 -10.977 1.00 2.09 C ATOM 1913 CE2 TYR A 122 -3.919 -10.214 -10.722 1.00 2.03 C ATOM 1914 CZ TYR A 122 -3.942 -8.859 -11.117 1.00 1.47 C ATOM 1915 OH TYR A 122 -5.079 -8.310 -11.627 1.00 1.86 O ATOM 0 H TYR A 122 0.852 -9.743 -11.907 1.00 0.76 H new ATOM 0 HA TYR A 122 1.540 -11.549 -9.714 1.00 0.78 H new ATOM 0 HB2 TYR A 122 -0.659 -11.391 -8.721 1.00 0.81 H new ATOM 0 HB3 TYR A 122 0.090 -9.807 -8.714 1.00 0.81 H new ATOM 0 HD1 TYR A 122 -0.729 -8.013 -10.303 1.00 1.95 H new ATOM 0 HD2 TYR A 122 -2.720 -11.812 -9.906 1.00 1.92 H new ATOM 0 HE1 TYR A 122 -2.791 -7.036 -11.294 1.00 2.09 H new ATOM 0 HE2 TYR A 122 -4.804 -10.823 -10.828 1.00 2.03 H new ATOM 0 HH TYR A 122 -5.785 -8.989 -11.658 1.00 1.86 H new ATOM 1925 N GLN A 123 0.439 -13.457 -10.931 1.00 0.92 N ATOM 1926 CA GLN A 123 0.081 -14.612 -11.769 1.00 1.07 C ATOM 1927 C GLN A 123 -0.339 -15.816 -10.902 1.00 1.17 C ATOM 1928 O GLN A 123 0.469 -16.259 -10.095 1.00 1.46 O ATOM 1929 CB GLN A 123 1.309 -15.021 -12.613 1.00 1.28 C ATOM 1930 CG GLN A 123 1.841 -13.953 -13.588 1.00 2.13 C ATOM 1931 CD GLN A 123 3.266 -14.260 -14.034 1.00 2.40 C ATOM 1932 OE1 GLN A 123 3.526 -14.709 -15.140 1.00 2.80 O ATOM 1933 NE2 GLN A 123 4.242 -14.040 -13.181 1.00 3.02 N ATOM 0 H GLN A 123 0.888 -13.728 -10.056 1.00 0.92 H new ATOM 0 HA GLN A 123 -0.755 -14.328 -12.408 1.00 1.07 H new ATOM 0 HB2 GLN A 123 2.115 -15.300 -11.935 1.00 1.28 H new ATOM 0 HB3 GLN A 123 1.052 -15.912 -13.186 1.00 1.28 H new ATOM 0 HG2 GLN A 123 1.190 -13.899 -14.460 1.00 2.13 H new ATOM 0 HG3 GLN A 123 1.812 -12.975 -13.108 1.00 2.13 H new ATOM 0 HE21 GLN A 123 4.035 -13.665 -12.255 1.00 3.02 H new ATOM 0 HE22 GLN A 123 5.206 -14.244 -13.445 1.00 3.02 H new ATOM 1942 N LYS A 124 -1.516 -16.434 -11.101 1.00 1.23 N ATOM 1943 CA LYS A 124 -1.786 -17.786 -10.563 1.00 1.06 C ATOM 1944 C LYS A 124 -1.576 -18.838 -11.665 1.00 1.34 C ATOM 1945 O LYS A 124 -2.359 -18.946 -12.604 1.00 2.09 O ATOM 1946 CB LYS A 124 -3.123 -17.873 -9.792 1.00 1.41 C ATOM 1947 CG LYS A 124 -4.419 -17.355 -10.444 1.00 1.84 C ATOM 1948 CD LYS A 124 -5.552 -17.425 -9.394 1.00 2.46 C ATOM 1949 CE LYS A 124 -6.912 -16.958 -9.920 1.00 2.80 C ATOM 1950 NZ LYS A 124 -7.955 -16.968 -8.864 1.00 3.58 N ATOM 0 H LYS A 124 -2.291 -16.027 -11.625 1.00 1.23 H new ATOM 0 HA LYS A 124 -1.057 -18.017 -9.787 1.00 1.06 H new ATOM 0 HB2 LYS A 124 -3.284 -18.921 -9.537 1.00 1.41 H new ATOM 0 HB3 LYS A 124 -2.993 -17.333 -8.854 1.00 1.41 H new ATOM 0 HG2 LYS A 124 -4.286 -16.330 -10.791 1.00 1.84 H new ATOM 0 HG3 LYS A 124 -4.672 -17.957 -11.317 1.00 1.84 H new ATOM 0 HD2 LYS A 124 -5.643 -18.452 -9.039 1.00 2.46 H new ATOM 0 HD3 LYS A 124 -5.276 -16.814 -8.534 1.00 2.46 H new ATOM 0 HE2 LYS A 124 -6.817 -15.950 -10.325 1.00 2.80 H new ATOM 0 HE3 LYS A 124 -7.223 -17.603 -10.742 1.00 2.80 H new ATOM 0 HZ1 LYS A 124 -8.791 -17.484 -9.206 1.00 3.58 H new ATOM 0 HZ2 LYS A 124 -7.583 -17.436 -8.013 1.00 3.58 H new ATOM 0 HZ3 LYS A 124 -8.223 -15.990 -8.632 1.00 3.58 H new ATOM 2120 N VAL A 135 0.713 -19.402 -6.769 1.00 2.41 N ATOM 2121 CA VAL A 135 0.519 -18.000 -7.153 1.00 1.98 C ATOM 2122 C VAL A 135 1.728 -17.108 -6.841 1.00 2.08 C ATOM 2123 O VAL A 135 2.448 -17.330 -5.871 1.00 2.42 O ATOM 2124 CB VAL A 135 -0.794 -17.469 -6.534 1.00 2.15 C ATOM 2125 CG1 VAL A 135 -0.775 -17.421 -4.995 1.00 3.03 C ATOM 2126 CG2 VAL A 135 -1.201 -16.100 -7.085 1.00 2.18 C ATOM 0 HA VAL A 135 0.430 -17.961 -8.239 1.00 1.98 H new ATOM 0 HB VAL A 135 -1.544 -18.201 -6.835 1.00 2.15 H new ATOM 0 HG11 VAL A 135 -1.729 -17.038 -4.631 1.00 3.03 H new ATOM 0 HG12 VAL A 135 -0.613 -18.425 -4.602 1.00 3.03 H new ATOM 0 HG13 VAL A 135 0.030 -16.766 -4.661 1.00 3.03 H new ATOM 0 HG21 VAL A 135 -2.130 -15.779 -6.613 1.00 2.18 H new ATOM 0 HG22 VAL A 135 -0.416 -15.374 -6.872 1.00 2.18 H new ATOM 0 HG23 VAL A 135 -1.347 -16.170 -8.163 1.00 2.18 H new ATOM 2136 N ASP A 136 1.908 -16.092 -7.685 1.00 1.20 N ATOM 2137 CA ASP A 136 2.913 -15.027 -7.645 1.00 1.17 C ATOM 2138 C ASP A 136 2.235 -13.654 -7.469 1.00 1.05 C ATOM 2139 O ASP A 136 1.227 -13.370 -8.117 1.00 1.31 O ATOM 2140 CB ASP A 136 3.715 -15.091 -8.965 1.00 1.70 C ATOM 2141 CG ASP A 136 4.156 -13.726 -9.504 1.00 3.53 C ATOM 2142 OD1 ASP A 136 5.029 -13.105 -8.865 1.00 4.41 O ATOM 2143 OD2 ASP A 136 3.603 -13.315 -10.554 1.00 4.71 O ATOM 0 H ASP A 136 1.295 -15.983 -8.493 1.00 1.20 H new ATOM 0 HA ASP A 136 3.584 -15.162 -6.797 1.00 1.17 H new ATOM 0 HB2 ASP A 136 4.599 -15.709 -8.809 1.00 1.70 H new ATOM 0 HB3 ASP A 136 3.107 -15.588 -9.721 1.00 1.70 H new ATOM 2148 N HIS A 137 2.795 -12.786 -6.622 1.00 0.80 N ATOM 2149 CA HIS A 137 2.585 -11.338 -6.719 1.00 0.80 C ATOM 2150 C HIS A 137 3.797 -10.521 -6.248 1.00 1.18 C ATOM 2151 O HIS A 137 4.541 -10.938 -5.356 1.00 1.33 O ATOM 2152 CB HIS A 137 1.302 -10.899 -5.993 1.00 0.98 C ATOM 2153 CG HIS A 137 1.332 -11.002 -4.482 1.00 1.27 C ATOM 2154 ND1 HIS A 137 1.468 -12.145 -3.736 1.00 2.31 N flip ATOM 2155 CD2 HIS A 137 1.146 -9.970 -3.591 1.00 1.78 C flip ATOM 2156 CE1 HIS A 137 1.364 -11.803 -2.380 1.00 2.57 C flip ATOM 2157 NE2 HIS A 137 1.178 -10.476 -2.350 1.00 2.16 N flip ATOM 0 H HIS A 137 3.404 -13.065 -5.853 1.00 0.80 H new ATOM 0 HA HIS A 137 2.461 -11.124 -7.781 1.00 0.80 H new ATOM 0 HB2 HIS A 137 1.090 -9.865 -6.264 1.00 0.98 H new ATOM 0 HB3 HIS A 137 0.473 -11.502 -6.363 1.00 0.98 H new ATOM 0 HD2 HIS A 137 0.999 -8.931 -3.847 1.00 1.78 H new ATOM 0 HE1 HIS A 137 1.422 -12.472 -1.534 1.00 2.57 H new ATOM 0 HE2 HIS A 137 1.075 -9.925 -1.498 1.00 2.16 H new ATOM 2166 N THR A 138 3.931 -9.292 -6.766 1.00 0.81 N ATOM 2167 CA THR A 138 4.889 -8.298 -6.255 1.00 0.87 C ATOM 2168 C THR A 138 4.389 -7.738 -4.924 1.00 1.23 C ATOM 2169 O THR A 138 3.775 -6.674 -4.859 1.00 2.02 O ATOM 2170 CB THR A 138 5.152 -7.207 -7.292 1.00 0.94 C ATOM 2171 OG1 THR A 138 5.574 -7.825 -8.475 1.00 1.52 O ATOM 2172 CG2 THR A 138 6.258 -6.235 -6.884 1.00 1.10 C ATOM 0 H THR A 138 3.377 -8.957 -7.554 1.00 0.81 H new ATOM 0 HA THR A 138 5.849 -8.781 -6.071 1.00 0.87 H new ATOM 0 HB THR A 138 4.226 -6.643 -7.401 1.00 0.94 H new ATOM 0 HG1 THR A 138 6.178 -7.225 -8.960 1.00 1.52 H new ATOM 0 HG21 THR A 138 6.392 -5.487 -7.666 1.00 1.10 H new ATOM 0 HG22 THR A 138 5.983 -5.741 -5.952 1.00 1.10 H new ATOM 0 HG23 THR A 138 7.190 -6.783 -6.742 1.00 1.10 H new ATOM 2180 N ALA A 139 4.640 -8.483 -3.846 1.00 0.69 N ATOM 2181 CA ALA A 139 4.383 -8.075 -2.467 1.00 0.73 C ATOM 2182 C ALA A 139 5.360 -6.964 -2.036 1.00 0.83 C ATOM 2183 O ALA A 139 6.381 -7.216 -1.396 1.00 1.32 O ATOM 2184 CB ALA A 139 4.477 -9.319 -1.572 1.00 1.05 C ATOM 0 H ALA A 139 5.041 -9.418 -3.913 1.00 0.69 H new ATOM 0 HA ALA A 139 3.383 -7.652 -2.374 1.00 0.73 H new ATOM 0 HB1 ALA A 139 4.288 -9.037 -0.536 1.00 1.05 H new ATOM 0 HB2 ALA A 139 3.736 -10.052 -1.889 1.00 1.05 H new ATOM 0 HB3 ALA A 139 5.474 -9.752 -1.654 1.00 1.05 H new ATOM 2190 N THR A 140 5.078 -5.721 -2.425 1.00 0.59 N ATOM 2191 CA THR A 140 5.944 -4.550 -2.188 1.00 0.65 C ATOM 2192 C THR A 140 5.092 -3.359 -1.765 1.00 0.77 C ATOM 2193 O THR A 140 3.909 -3.305 -2.107 1.00 1.00 O ATOM 2194 CB THR A 140 6.756 -4.279 -3.464 1.00 0.79 C ATOM 2195 OG1 THR A 140 7.617 -5.380 -3.651 1.00 1.20 O ATOM 2196 CG2 THR A 140 7.640 -3.033 -3.445 1.00 0.85 C ATOM 0 H THR A 140 4.221 -5.487 -2.927 1.00 0.59 H new ATOM 0 HA THR A 140 6.647 -4.737 -1.376 1.00 0.65 H new ATOM 0 HB THR A 140 6.021 -4.122 -4.254 1.00 0.79 H new ATOM 0 HG1 THR A 140 8.152 -5.243 -4.460 1.00 1.20 H new ATOM 0 HG21 THR A 140 8.164 -2.944 -4.397 1.00 0.85 H new ATOM 0 HG22 THR A 140 7.021 -2.150 -3.288 1.00 0.85 H new ATOM 0 HG23 THR A 140 8.367 -3.115 -2.637 1.00 0.85 H new ATOM 2204 N THR A 141 5.684 -2.415 -1.025 1.00 0.59 N ATOM 2205 CA THR A 141 5.046 -1.169 -0.588 1.00 0.53 C ATOM 2206 C THR A 141 5.570 0.011 -1.403 1.00 0.85 C ATOM 2207 O THR A 141 6.772 0.174 -1.607 1.00 0.93 O ATOM 2208 CB THR A 141 5.191 -0.937 0.926 1.00 0.62 C ATOM 2209 OG1 THR A 141 6.221 -1.726 1.483 1.00 1.32 O ATOM 2210 CG2 THR A 141 3.905 -1.334 1.648 1.00 1.73 C ATOM 0 H THR A 141 6.649 -2.500 -0.704 1.00 0.59 H new ATOM 0 HA THR A 141 3.976 -1.260 -0.775 1.00 0.53 H new ATOM 0 HB THR A 141 5.417 0.122 1.054 1.00 0.62 H new ATOM 0 HG1 THR A 141 6.284 -1.550 2.445 1.00 1.32 H new ATOM 0 HG21 THR A 141 4.022 -1.165 2.718 1.00 1.73 H new ATOM 0 HG22 THR A 141 3.077 -0.732 1.274 1.00 1.73 H new ATOM 0 HG23 THR A 141 3.697 -2.389 1.468 1.00 1.73 H new ATOM 2218 N PHE A 142 4.657 0.845 -1.890 1.00 0.58 N ATOM 2219 CA PHE A 142 4.964 1.924 -2.838 1.00 0.64 C ATOM 2220 C PHE A 142 4.506 3.283 -2.298 1.00 1.70 C ATOM 2221 O PHE A 142 3.334 3.442 -1.955 1.00 2.03 O ATOM 2222 CB PHE A 142 4.271 1.610 -4.172 1.00 0.76 C ATOM 2223 CG PHE A 142 4.689 0.300 -4.817 1.00 0.95 C ATOM 2224 CD1 PHE A 142 4.000 -0.891 -4.513 1.00 1.91 C ATOM 2225 CD2 PHE A 142 5.755 0.271 -5.737 1.00 1.90 C ATOM 2226 CE1 PHE A 142 4.382 -2.102 -5.115 1.00 1.97 C ATOM 2227 CE2 PHE A 142 6.117 -0.937 -6.359 1.00 1.78 C ATOM 2228 CZ PHE A 142 5.440 -2.125 -6.039 1.00 1.12 C ATOM 0 H PHE A 142 3.670 0.795 -1.638 1.00 0.58 H new ATOM 0 HA PHE A 142 6.043 1.983 -2.983 1.00 0.64 H new ATOM 0 HB2 PHE A 142 3.193 1.590 -4.009 1.00 0.76 H new ATOM 0 HB3 PHE A 142 4.473 2.423 -4.870 1.00 0.76 H new ATOM 0 HD1 PHE A 142 3.176 -0.873 -3.815 1.00 1.91 H new ATOM 0 HD2 PHE A 142 6.295 1.178 -5.965 1.00 1.90 H new ATOM 0 HE1 PHE A 142 3.862 -3.016 -4.867 1.00 1.97 H new ATOM 0 HE2 PHE A 142 6.917 -0.951 -7.084 1.00 1.78 H new ATOM 0 HZ PHE A 142 5.732 -3.055 -6.503 1.00 1.12 H new ATOM 2238 N VAL A 143 5.404 4.276 -2.256 1.00 0.63 N ATOM 2239 CA VAL A 143 5.117 5.597 -1.673 1.00 0.64 C ATOM 2240 C VAL A 143 4.776 6.593 -2.776 1.00 0.97 C ATOM 2241 O VAL A 143 5.562 6.811 -3.699 1.00 1.21 O ATOM 2242 CB VAL A 143 6.284 6.138 -0.820 1.00 0.70 C ATOM 2243 CG1 VAL A 143 5.893 7.456 -0.126 1.00 0.79 C ATOM 2244 CG2 VAL A 143 6.656 5.121 0.264 1.00 0.97 C ATOM 0 H VAL A 143 6.351 4.188 -2.625 1.00 0.63 H new ATOM 0 HA VAL A 143 4.263 5.472 -1.008 1.00 0.64 H new ATOM 0 HB VAL A 143 7.129 6.312 -1.487 1.00 0.70 H new ATOM 0 HG11 VAL A 143 6.732 7.817 0.469 1.00 0.79 H new ATOM 0 HG12 VAL A 143 5.635 8.201 -0.879 1.00 0.79 H new ATOM 0 HG13 VAL A 143 5.035 7.284 0.524 1.00 0.79 H new ATOM 0 HG21 VAL A 143 7.480 5.511 0.861 1.00 0.97 H new ATOM 0 HG22 VAL A 143 5.794 4.943 0.907 1.00 0.97 H new ATOM 0 HG23 VAL A 143 6.959 4.184 -0.204 1.00 0.97 H new ATOM 2254 N VAL A 144 3.605 7.211 -2.640 1.00 0.68 N ATOM 2255 CA VAL A 144 3.059 8.225 -3.560 1.00 0.77 C ATOM 2256 C VAL A 144 2.746 9.541 -2.833 1.00 1.03 C ATOM 2257 O VAL A 144 2.123 9.549 -1.767 1.00 0.97 O ATOM 2258 CB VAL A 144 1.808 7.708 -4.309 1.00 0.85 C ATOM 2259 CG1 VAL A 144 1.165 8.795 -5.195 1.00 1.37 C ATOM 2260 CG2 VAL A 144 2.181 6.517 -5.206 1.00 1.93 C ATOM 0 H VAL A 144 2.980 7.017 -1.857 1.00 0.68 H new ATOM 0 HA VAL A 144 3.834 8.424 -4.300 1.00 0.77 H new ATOM 0 HB VAL A 144 1.089 7.409 -3.546 1.00 0.85 H new ATOM 0 HG11 VAL A 144 0.291 8.383 -5.700 1.00 1.37 H new ATOM 0 HG12 VAL A 144 0.862 9.638 -4.574 1.00 1.37 H new ATOM 0 HG13 VAL A 144 1.887 9.133 -5.938 1.00 1.37 H new ATOM 0 HG21 VAL A 144 1.292 6.162 -5.728 1.00 1.93 H new ATOM 0 HG22 VAL A 144 2.929 6.830 -5.935 1.00 1.93 H new ATOM 0 HG23 VAL A 144 2.587 5.713 -4.593 1.00 1.93 H new ATOM 2270 N LYS A 145 3.181 10.639 -3.461 1.00 0.93 N ATOM 2271 CA LYS A 145 2.997 12.034 -3.046 1.00 0.94 C ATOM 2272 C LYS A 145 2.735 12.921 -4.279 1.00 1.17 C ATOM 2273 O LYS A 145 3.355 12.703 -5.322 1.00 1.43 O ATOM 2274 CB LYS A 145 4.296 12.470 -2.339 1.00 1.16 C ATOM 2275 CG LYS A 145 4.311 13.916 -1.819 1.00 1.41 C ATOM 2276 CD LYS A 145 3.295 14.092 -0.688 1.00 1.76 C ATOM 2277 CE LYS A 145 3.223 15.500 -0.092 1.00 1.82 C ATOM 2278 NZ LYS A 145 4.559 16.014 0.270 1.00 1.72 N ATOM 0 H LYS A 145 3.707 10.572 -4.332 1.00 0.93 H new ATOM 0 HA LYS A 145 2.142 12.133 -2.377 1.00 0.94 H new ATOM 0 HB2 LYS A 145 4.476 11.798 -1.500 1.00 1.16 H new ATOM 0 HB3 LYS A 145 5.127 12.343 -3.033 1.00 1.16 H new ATOM 0 HG2 LYS A 145 5.309 14.169 -1.461 1.00 1.41 H new ATOM 0 HG3 LYS A 145 4.080 14.603 -2.633 1.00 1.41 H new ATOM 0 HD2 LYS A 145 2.308 13.822 -1.063 1.00 1.76 H new ATOM 0 HD3 LYS A 145 3.537 13.389 0.109 1.00 1.76 H new ATOM 0 HE2 LYS A 145 2.757 16.175 -0.810 1.00 1.82 H new ATOM 0 HE3 LYS A 145 2.587 15.487 0.793 1.00 1.82 H new ATOM 0 HZ1 LYS A 145 4.465 16.729 1.019 1.00 1.72 H new ATOM 0 HZ2 LYS A 145 5.152 15.231 0.611 1.00 1.72 H new ATOM 0 HZ3 LYS A 145 5.003 16.445 -0.566 1.00 1.72 H new ATOM 2292 N GLU A 146 1.836 13.908 -4.207 1.00 0.98 N ATOM 2293 CA GLU A 146 1.642 14.968 -5.218 1.00 1.06 C ATOM 2294 C GLU A 146 1.013 14.482 -6.543 1.00 1.39 C ATOM 2295 O GLU A 146 0.620 15.296 -7.370 1.00 1.67 O ATOM 2296 CB GLU A 146 2.979 15.675 -5.508 1.00 1.18 C ATOM 2297 CG GLU A 146 2.830 17.170 -5.807 1.00 1.79 C ATOM 2298 CD GLU A 146 4.117 17.663 -6.454 1.00 2.10 C ATOM 2299 OE1 GLU A 146 5.196 17.541 -5.833 1.00 2.29 O ATOM 2300 OE2 GLU A 146 4.097 17.974 -7.661 1.00 3.38 O ATOM 0 H GLU A 146 1.197 13.999 -3.417 1.00 0.98 H new ATOM 0 HA GLU A 146 0.924 15.662 -4.780 1.00 1.06 H new ATOM 0 HB2 GLU A 146 3.641 15.549 -4.651 1.00 1.18 H new ATOM 0 HB3 GLU A 146 3.461 15.189 -6.357 1.00 1.18 H new ATOM 0 HG2 GLU A 146 1.983 17.341 -6.471 1.00 1.79 H new ATOM 0 HG3 GLU A 146 2.632 17.722 -4.888 1.00 1.79 H new ATOM 2307 N GLY A 147 0.913 13.165 -6.767 1.00 1.29 N ATOM 2308 CA GLY A 147 0.556 12.551 -8.052 1.00 1.42 C ATOM 2309 C GLY A 147 1.678 11.718 -8.670 1.00 1.32 C ATOM 2310 O GLY A 147 1.572 11.316 -9.828 1.00 1.43 O ATOM 0 H GLY A 147 1.084 12.476 -6.035 1.00 1.29 H new ATOM 0 HA2 GLY A 147 -0.319 11.917 -7.910 1.00 1.42 H new ATOM 0 HA3 GLY A 147 0.271 13.336 -8.752 1.00 1.42 H new ATOM 2314 N ARG A 148 2.767 11.451 -7.934 1.00 1.06 N ATOM 2315 CA ARG A 148 3.857 10.595 -8.389 1.00 0.99 C ATOM 2316 C ARG A 148 4.400 9.677 -7.292 1.00 1.21 C ATOM 2317 O ARG A 148 4.430 10.000 -6.105 1.00 1.37 O ATOM 2318 CB ARG A 148 4.955 11.448 -9.048 1.00 1.26 C ATOM 2319 CG ARG A 148 5.600 12.426 -8.090 1.00 1.69 C ATOM 2320 CD ARG A 148 6.708 13.209 -8.790 1.00 1.97 C ATOM 2321 NE ARG A 148 6.207 14.407 -9.484 1.00 2.41 N ATOM 2322 CZ ARG A 148 5.944 15.561 -8.884 1.00 2.35 C ATOM 2323 NH1 ARG A 148 6.220 15.752 -7.613 1.00 2.70 N ATOM 2324 NH2 ARG A 148 5.363 16.537 -9.540 1.00 3.00 N ATOM 0 H ARG A 148 2.911 11.830 -6.998 1.00 1.06 H new ATOM 0 HA ARG A 148 3.454 9.917 -9.142 1.00 0.99 H new ATOM 0 HB2 ARG A 148 5.722 10.790 -9.457 1.00 1.26 H new ATOM 0 HB3 ARG A 148 4.526 11.998 -9.886 1.00 1.26 H new ATOM 0 HG2 ARG A 148 4.849 13.115 -7.703 1.00 1.69 H new ATOM 0 HG3 ARG A 148 6.011 11.889 -7.235 1.00 1.69 H new ATOM 0 HD2 ARG A 148 7.457 13.506 -8.056 1.00 1.97 H new ATOM 0 HD3 ARG A 148 7.207 12.560 -9.509 1.00 1.97 H new ATOM 0 HE ARG A 148 6.052 14.346 -10.490 1.00 2.41 H new ATOM 0 HH11 ARG A 148 6.646 15.004 -7.066 1.00 2.70 H new ATOM 0 HH12 ARG A 148 6.008 16.648 -7.174 1.00 2.70 H new ATOM 0 HH21 ARG A 148 5.109 16.413 -10.520 1.00 3.00 H new ATOM 0 HH22 ARG A 148 5.165 17.420 -9.070 1.00 3.00 H new ATOM 2338 N LEU A 149 4.865 8.514 -7.735 1.00 0.84 N ATOM 2339 CA LEU A 149 5.583 7.516 -6.963 1.00 0.79 C ATOM 2340 C LEU A 149 6.983 8.083 -6.702 1.00 1.05 C ATOM 2341 O LEU A 149 7.739 8.314 -7.643 1.00 1.40 O ATOM 2342 CB LEU A 149 5.556 6.194 -7.767 1.00 0.94 C ATOM 2343 CG LEU A 149 5.517 4.909 -6.918 1.00 1.11 C ATOM 2344 CD1 LEU A 149 5.213 3.709 -7.832 1.00 2.24 C ATOM 2345 CD2 LEU A 149 6.828 4.659 -6.160 1.00 1.90 C ATOM 0 H LEU A 149 4.740 8.228 -8.706 1.00 0.84 H new ATOM 0 HA LEU A 149 5.141 7.292 -5.992 1.00 0.79 H new ATOM 0 HB2 LEU A 149 4.685 6.204 -8.422 1.00 0.94 H new ATOM 0 HB3 LEU A 149 6.437 6.160 -8.408 1.00 0.94 H new ATOM 0 HG LEU A 149 4.734 5.034 -6.170 1.00 1.11 H new ATOM 0 HD11 LEU A 149 5.184 2.796 -7.237 1.00 2.24 H new ATOM 0 HD12 LEU A 149 4.248 3.856 -8.317 1.00 2.24 H new ATOM 0 HD13 LEU A 149 5.991 3.623 -8.590 1.00 2.24 H new ATOM 0 HD21 LEU A 149 6.743 3.741 -5.579 1.00 1.90 H new ATOM 0 HD22 LEU A 149 7.648 4.563 -6.872 1.00 1.90 H new ATOM 0 HD23 LEU A 149 7.026 5.495 -5.490 1.00 1.90 H new ATOM 2357 N VAL A 150 7.272 8.373 -5.436 1.00 0.73 N ATOM 2358 CA VAL A 150 8.507 9.032 -4.959 1.00 0.81 C ATOM 2359 C VAL A 150 9.542 8.061 -4.366 1.00 1.16 C ATOM 2360 O VAL A 150 10.735 8.379 -4.370 1.00 1.37 O ATOM 2361 CB VAL A 150 8.193 10.157 -3.936 1.00 0.85 C ATOM 2362 CG1 VAL A 150 7.574 11.377 -4.636 1.00 1.56 C ATOM 2363 CG2 VAL A 150 7.241 9.714 -2.806 1.00 1.37 C ATOM 0 H VAL A 150 6.631 8.150 -4.674 1.00 0.73 H new ATOM 0 HA VAL A 150 8.957 9.467 -5.851 1.00 0.81 H new ATOM 0 HB VAL A 150 9.153 10.413 -3.488 1.00 0.85 H new ATOM 0 HG11 VAL A 150 7.363 12.151 -3.899 1.00 1.56 H new ATOM 0 HG12 VAL A 150 8.272 11.764 -5.378 1.00 1.56 H new ATOM 0 HG13 VAL A 150 6.647 11.083 -5.128 1.00 1.56 H new ATOM 0 HG21 VAL A 150 7.066 10.550 -2.129 1.00 1.37 H new ATOM 0 HG22 VAL A 150 6.293 9.390 -3.235 1.00 1.37 H new ATOM 0 HG23 VAL A 150 7.690 8.888 -2.254 1.00 1.37 H new ATOM 2373 N LEU A 151 9.112 6.886 -3.885 1.00 0.72 N ATOM 2374 CA LEU A 151 9.958 5.949 -3.139 1.00 0.73 C ATOM 2375 C LEU A 151 9.333 4.546 -3.059 1.00 1.12 C ATOM 2376 O LEU A 151 8.105 4.396 -3.063 1.00 1.26 O ATOM 2377 CB LEU A 151 10.268 6.553 -1.741 1.00 0.84 C ATOM 2378 CG LEU A 151 11.779 6.613 -1.434 1.00 1.17 C ATOM 2379 CD1 LEU A 151 12.176 7.835 -0.601 1.00 1.43 C ATOM 2380 CD2 LEU A 151 12.248 5.357 -0.702 1.00 1.00 C ATOM 0 H LEU A 151 8.154 6.557 -4.006 1.00 0.72 H new ATOM 0 HA LEU A 151 10.899 5.810 -3.671 1.00 0.73 H new ATOM 0 HB2 LEU A 151 9.851 7.558 -1.685 1.00 0.84 H new ATOM 0 HB3 LEU A 151 9.770 5.958 -0.975 1.00 0.84 H new ATOM 0 HG LEU A 151 12.266 6.687 -2.406 1.00 1.17 H new ATOM 0 HD11 LEU A 151 13.251 7.818 -0.420 1.00 1.43 H new ATOM 0 HD12 LEU A 151 11.913 8.745 -1.141 1.00 1.43 H new ATOM 0 HD13 LEU A 151 11.647 7.813 0.352 1.00 1.43 H new ATOM 0 HD21 LEU A 151 13.317 5.431 -0.501 1.00 1.00 H new ATOM 0 HD22 LEU A 151 11.707 5.261 0.239 1.00 1.00 H new ATOM 0 HD23 LEU A 151 12.055 4.481 -1.322 1.00 1.00 H new ATOM 2392 N LEU A 152 10.180 3.510 -2.994 1.00 0.61 N ATOM 2393 CA LEU A 152 9.758 2.110 -2.822 1.00 0.56 C ATOM 2394 C LEU A 152 10.307 1.511 -1.523 1.00 1.07 C ATOM 2395 O LEU A 152 11.478 1.705 -1.194 1.00 1.15 O ATOM 2396 CB LEU A 152 10.178 1.228 -4.018 1.00 0.74 C ATOM 2397 CG LEU A 152 9.860 1.797 -5.417 1.00 0.78 C ATOM 2398 CD1 LEU A 152 10.988 2.643 -6.030 1.00 1.34 C ATOM 2399 CD2 LEU A 152 9.553 0.647 -6.388 1.00 1.85 C ATOM 0 H LEU A 152 11.192 3.620 -3.060 1.00 0.61 H new ATOM 0 HA LEU A 152 8.669 2.123 -2.770 1.00 0.56 H new ATOM 0 HB2 LEU A 152 11.251 1.050 -3.954 1.00 0.74 H new ATOM 0 HB3 LEU A 152 9.688 0.259 -3.921 1.00 0.74 H new ATOM 0 HG LEU A 152 9.002 2.454 -5.273 1.00 0.78 H new ATOM 0 HD11 LEU A 152 10.681 3.003 -7.012 1.00 1.34 H new ATOM 0 HD12 LEU A 152 11.198 3.493 -5.382 1.00 1.34 H new ATOM 0 HD13 LEU A 152 11.886 2.033 -6.132 1.00 1.34 H new ATOM 0 HD21 LEU A 152 9.329 1.054 -7.374 1.00 1.85 H new ATOM 0 HD22 LEU A 152 10.418 -0.013 -6.455 1.00 1.85 H new ATOM 0 HD23 LEU A 152 8.694 0.083 -6.024 1.00 1.85 H new ATOM 2411 N TYR A 153 9.485 0.735 -0.818 1.00 0.58 N ATOM 2412 CA TYR A 153 9.852 0.003 0.392 1.00 0.63 C ATOM 2413 C TYR A 153 9.773 -1.514 0.152 1.00 1.14 C ATOM 2414 O TYR A 153 8.775 -2.042 -0.338 1.00 1.45 O ATOM 2415 CB TYR A 153 8.905 0.394 1.538 1.00 0.59 C ATOM 2416 CG TYR A 153 8.898 1.832 2.035 1.00 1.04 C ATOM 2417 CD1 TYR A 153 10.002 2.692 1.862 1.00 1.83 C ATOM 2418 CD2 TYR A 153 7.776 2.291 2.755 1.00 2.34 C ATOM 2419 CE1 TYR A 153 9.984 3.997 2.392 1.00 2.28 C ATOM 2420 CE2 TYR A 153 7.761 3.587 3.309 1.00 3.00 C ATOM 2421 CZ TYR A 153 8.863 4.449 3.126 1.00 2.55 C ATOM 2422 OH TYR A 153 8.824 5.697 3.669 1.00 3.39 O ATOM 0 H TYR A 153 8.510 0.594 -1.084 1.00 0.58 H new ATOM 0 HA TYR A 153 10.877 0.261 0.658 1.00 0.63 H new ATOM 0 HB2 TYR A 153 7.890 0.150 1.223 1.00 0.59 H new ATOM 0 HB3 TYR A 153 9.137 -0.246 2.389 1.00 0.59 H new ATOM 0 HD1 TYR A 153 10.869 2.347 1.318 1.00 1.83 H new ATOM 0 HD2 TYR A 153 6.921 1.644 2.883 1.00 2.34 H new ATOM 0 HE1 TYR A 153 10.828 4.653 2.238 1.00 2.28 H new ATOM 0 HE2 TYR A 153 6.904 3.921 3.875 1.00 3.00 H new ATOM 0 HH TYR A 153 9.357 6.309 3.120 1.00 3.39 H new ATOM 2432 N SER A 154 10.821 -2.237 0.548 1.00 1.14 N ATOM 2433 CA SER A 154 10.722 -3.691 0.724 1.00 1.18 C ATOM 2434 C SER A 154 10.050 -3.979 2.081 1.00 1.13 C ATOM 2435 O SER A 154 10.341 -3.238 3.029 1.00 1.30 O ATOM 2436 CB SER A 154 12.121 -4.314 0.655 1.00 1.46 C ATOM 2437 OG SER A 154 12.025 -5.677 0.317 1.00 1.94 O ATOM 0 H SER A 154 11.741 -1.847 0.752 1.00 1.14 H new ATOM 0 HA SER A 154 10.119 -4.132 -0.070 1.00 1.18 H new ATOM 0 HB2 SER A 154 12.726 -3.789 -0.085 1.00 1.46 H new ATOM 0 HB3 SER A 154 12.625 -4.204 1.615 1.00 1.46 H new ATOM 0 HG SER A 154 12.369 -6.222 1.055 1.00 1.94 H new ATOM 2443 N PRO A 155 9.176 -5.000 2.208 1.00 0.82 N ATOM 2444 CA PRO A 155 8.433 -5.254 3.443 1.00 0.92 C ATOM 2445 C PRO A 155 9.344 -5.548 4.637 1.00 1.13 C ATOM 2446 O PRO A 155 9.130 -5.003 5.716 1.00 1.10 O ATOM 2447 CB PRO A 155 7.510 -6.437 3.141 1.00 1.09 C ATOM 2448 CG PRO A 155 8.122 -7.108 1.915 1.00 0.99 C ATOM 2449 CD PRO A 155 8.767 -5.942 1.174 1.00 0.91 C ATOM 0 HA PRO A 155 7.872 -4.366 3.736 1.00 0.92 H new ATOM 0 HB2 PRO A 155 7.461 -7.125 3.985 1.00 1.09 H new ATOM 0 HB3 PRO A 155 6.492 -6.103 2.942 1.00 1.09 H new ATOM 0 HG2 PRO A 155 8.855 -7.865 2.193 1.00 0.99 H new ATOM 0 HG3 PRO A 155 7.366 -7.604 1.307 1.00 0.99 H new ATOM 0 HD2 PRO A 155 9.623 -6.276 0.587 1.00 0.91 H new ATOM 0 HD3 PRO A 155 8.064 -5.482 0.480 1.00 0.91 H new ATOM 2457 N ASP A 156 10.413 -6.320 4.422 1.00 0.95 N ATOM 2458 CA ASP A 156 11.457 -6.652 5.402 1.00 1.28 C ATOM 2459 C ASP A 156 12.278 -5.427 5.865 1.00 1.53 C ATOM 2460 O ASP A 156 13.129 -5.510 6.753 1.00 1.95 O ATOM 2461 CB ASP A 156 12.360 -7.720 4.768 1.00 1.54 C ATOM 2462 CG ASP A 156 13.092 -7.214 3.516 1.00 1.49 C ATOM 2463 OD1 ASP A 156 12.419 -6.933 2.497 1.00 2.18 O ATOM 2464 OD2 ASP A 156 14.331 -7.057 3.591 1.00 2.54 O ATOM 0 H ASP A 156 10.584 -6.753 3.515 1.00 0.95 H new ATOM 0 HA ASP A 156 10.982 -7.027 6.308 1.00 1.28 H new ATOM 0 HB2 ASP A 156 13.093 -8.052 5.503 1.00 1.54 H new ATOM 0 HB3 ASP A 156 11.757 -8.589 4.504 1.00 1.54 H new ATOM 2469 N LYS A 157 12.061 -4.270 5.238 1.00 1.20 N ATOM 2470 CA LYS A 157 12.500 -2.958 5.717 1.00 1.32 C ATOM 2471 C LYS A 157 11.330 -2.073 6.191 1.00 1.38 C ATOM 2472 O LYS A 157 11.543 -1.265 7.092 1.00 1.43 O ATOM 2473 CB LYS A 157 13.335 -2.264 4.623 1.00 1.62 C ATOM 2474 CG LYS A 157 14.481 -3.123 4.063 1.00 2.16 C ATOM 2475 CD LYS A 157 15.582 -3.450 5.090 1.00 3.19 C ATOM 2476 CE LYS A 157 16.185 -4.818 4.753 1.00 3.46 C ATOM 2477 NZ LYS A 157 15.625 -5.903 5.591 1.00 4.42 N ATOM 0 H LYS A 157 11.558 -4.219 4.352 1.00 1.20 H new ATOM 0 HA LYS A 157 13.124 -3.113 6.597 1.00 1.32 H new ATOM 0 HB2 LYS A 157 12.675 -1.980 3.803 1.00 1.62 H new ATOM 0 HB3 LYS A 157 13.752 -1.343 5.030 1.00 1.62 H new ATOM 0 HG2 LYS A 157 14.068 -4.056 3.680 1.00 2.16 H new ATOM 0 HG3 LYS A 157 14.931 -2.603 3.217 1.00 2.16 H new ATOM 0 HD2 LYS A 157 16.355 -2.682 5.071 1.00 3.19 H new ATOM 0 HD3 LYS A 157 15.167 -3.459 6.098 1.00 3.19 H new ATOM 0 HE2 LYS A 157 16.003 -5.043 3.702 1.00 3.46 H new ATOM 0 HE3 LYS A 157 17.266 -4.779 4.888 1.00 3.46 H new ATOM 0 HZ1 LYS A 157 16.362 -6.264 6.230 1.00 4.42 H new ATOM 0 HZ2 LYS A 157 14.831 -5.534 6.152 1.00 4.42 H new ATOM 0 HZ3 LYS A 157 15.288 -6.675 4.980 1.00 4.42 H new ATOM 2491 N ALA A 158 10.113 -2.234 5.649 1.00 0.82 N ATOM 2492 CA ALA A 158 8.908 -1.502 6.068 1.00 0.73 C ATOM 2493 C ALA A 158 8.484 -1.809 7.513 1.00 1.01 C ATOM 2494 O ALA A 158 7.855 -0.977 8.159 1.00 1.05 O ATOM 2495 CB ALA A 158 7.768 -1.820 5.095 1.00 0.73 C ATOM 0 H ALA A 158 9.935 -2.892 4.890 1.00 0.82 H new ATOM 0 HA ALA A 158 9.144 -0.438 6.044 1.00 0.73 H new ATOM 0 HB1 ALA A 158 6.870 -1.281 5.398 1.00 0.73 H new ATOM 0 HB2 ALA A 158 8.053 -1.514 4.088 1.00 0.73 H new ATOM 0 HB3 ALA A 158 7.569 -2.892 5.105 1.00 0.73 H new ATOM 2501 N GLU A 159 8.885 -2.970 8.035 1.00 0.79 N ATOM 2502 CA GLU A 159 8.724 -3.346 9.442 1.00 0.86 C ATOM 2503 C GLU A 159 9.461 -2.412 10.423 1.00 1.28 C ATOM 2504 O GLU A 159 9.059 -2.258 11.579 1.00 1.53 O ATOM 2505 CB GLU A 159 9.194 -4.797 9.585 1.00 0.98 C ATOM 2506 CG GLU A 159 8.153 -5.701 8.912 1.00 1.22 C ATOM 2507 CD GLU A 159 8.589 -7.153 8.750 1.00 1.61 C ATOM 2508 OE1 GLU A 159 9.796 -7.441 8.901 1.00 2.98 O ATOM 2509 OE2 GLU A 159 7.677 -7.962 8.475 1.00 2.25 O ATOM 0 H GLU A 159 9.342 -3.692 7.478 1.00 0.79 H new ATOM 0 HA GLU A 159 7.673 -3.246 9.713 1.00 0.86 H new ATOM 0 HB2 GLU A 159 10.171 -4.929 9.120 1.00 0.98 H new ATOM 0 HB3 GLU A 159 9.304 -5.060 10.637 1.00 0.98 H new ATOM 0 HG2 GLU A 159 7.234 -5.674 9.497 1.00 1.22 H new ATOM 0 HG3 GLU A 159 7.917 -5.293 7.929 1.00 1.22 H new ATOM 2516 N ALA A 160 10.522 -1.740 9.969 1.00 0.94 N ATOM 2517 CA ALA A 160 11.260 -0.755 10.763 1.00 0.98 C ATOM 2518 C ALA A 160 10.458 0.555 10.900 1.00 1.20 C ATOM 2519 O ALA A 160 10.644 1.504 10.129 1.00 1.14 O ATOM 2520 CB ALA A 160 12.664 -0.559 10.171 1.00 1.02 C ATOM 0 H ALA A 160 10.897 -1.866 9.029 1.00 0.94 H new ATOM 0 HA ALA A 160 11.393 -1.124 11.780 1.00 0.98 H new ATOM 0 HB1 ALA A 160 13.210 0.174 10.764 1.00 1.02 H new ATOM 0 HB2 ALA A 160 13.200 -1.508 10.184 1.00 1.02 H new ATOM 0 HB3 ALA A 160 12.579 -0.204 9.144 1.00 1.02 H new ATOM 2526 N THR A 161 9.567 0.594 11.904 1.00 1.04 N ATOM 2527 CA THR A 161 8.676 1.727 12.239 1.00 1.07 C ATOM 2528 C THR A 161 9.395 3.067 12.185 1.00 1.13 C ATOM 2529 O THR A 161 8.942 3.986 11.510 1.00 1.38 O ATOM 2530 CB THR A 161 8.075 1.523 13.635 1.00 1.19 C ATOM 2531 OG1 THR A 161 7.195 0.427 13.582 1.00 1.28 O ATOM 2532 CG2 THR A 161 7.270 2.723 14.136 1.00 1.32 C ATOM 0 H THR A 161 9.439 -0.197 12.535 1.00 1.04 H new ATOM 0 HA THR A 161 7.886 1.748 11.488 1.00 1.07 H new ATOM 0 HB THR A 161 8.911 1.371 14.318 1.00 1.19 H new ATOM 0 HG1 THR A 161 6.802 0.280 14.468 1.00 1.28 H new ATOM 0 HG21 THR A 161 6.875 2.507 15.129 1.00 1.32 H new ATOM 0 HG22 THR A 161 7.916 3.600 14.185 1.00 1.32 H new ATOM 0 HG23 THR A 161 6.444 2.918 13.452 1.00 1.32 H new ATOM 2540 N ASP A 162 10.528 3.191 12.866 1.00 1.04 N ATOM 2541 CA ASP A 162 11.278 4.443 12.976 1.00 1.08 C ATOM 2542 C ASP A 162 11.920 4.885 11.646 1.00 1.38 C ATOM 2543 O ASP A 162 11.997 6.083 11.363 1.00 1.47 O ATOM 2544 CB ASP A 162 12.289 4.300 14.127 1.00 1.18 C ATOM 2545 CG ASP A 162 13.391 3.260 13.894 1.00 2.65 C ATOM 2546 OD1 ASP A 162 13.139 2.230 13.225 1.00 3.74 O ATOM 2547 OD2 ASP A 162 14.532 3.551 14.320 1.00 4.03 O ATOM 0 H ASP A 162 10.961 2.414 13.366 1.00 1.04 H new ATOM 0 HA ASP A 162 10.589 5.255 13.209 1.00 1.08 H new ATOM 0 HB2 ASP A 162 12.756 5.269 14.303 1.00 1.18 H new ATOM 0 HB3 ASP A 162 11.748 4.037 15.036 1.00 1.18 H new ATOM 2552 N ARG A 163 12.293 3.943 10.766 1.00 1.04 N ATOM 2553 CA ARG A 163 12.582 4.221 9.356 1.00 1.10 C ATOM 2554 C ARG A 163 11.343 4.719 8.601 1.00 1.32 C ATOM 2555 O ARG A 163 11.442 5.754 7.942 1.00 1.65 O ATOM 2556 CB ARG A 163 13.166 2.980 8.656 1.00 1.15 C ATOM 2557 CG ARG A 163 14.363 2.348 9.371 1.00 1.26 C ATOM 2558 CD ARG A 163 15.594 3.257 9.325 1.00 1.69 C ATOM 2559 NE ARG A 163 16.486 2.992 10.465 1.00 1.57 N ATOM 2560 CZ ARG A 163 16.231 3.427 11.691 1.00 2.73 C ATOM 2561 NH1 ARG A 163 15.421 4.435 11.911 1.00 3.60 N ATOM 2562 NH2 ARG A 163 16.735 2.833 12.745 1.00 3.65 N ATOM 0 H ARG A 163 12.402 2.961 11.018 1.00 1.04 H new ATOM 0 HA ARG A 163 13.325 5.018 9.338 1.00 1.10 H new ATOM 0 HB2 ARG A 163 12.380 2.231 8.559 1.00 1.15 H new ATOM 0 HB3 ARG A 163 13.468 3.257 7.646 1.00 1.15 H new ATOM 0 HG2 ARG A 163 14.100 2.143 10.409 1.00 1.26 H new ATOM 0 HG3 ARG A 163 14.600 1.390 8.907 1.00 1.26 H new ATOM 0 HD2 ARG A 163 16.134 3.098 8.391 1.00 1.69 H new ATOM 0 HD3 ARG A 163 15.281 4.301 9.338 1.00 1.69 H new ATOM 0 HE ARG A 163 17.336 2.451 10.305 1.00 1.57 H new ATOM 0 HH11 ARG A 163 14.968 4.906 11.128 1.00 3.60 H new ATOM 0 HH12 ARG A 163 15.244 4.748 12.866 1.00 3.60 H new ATOM 0 HH21 ARG A 163 17.338 2.018 12.632 1.00 3.65 H new ATOM 0 HH22 ARG A 163 16.525 3.186 13.679 1.00 3.65 H new ATOM 2576 N VAL A 164 10.190 4.042 8.736 1.00 1.02 N ATOM 2577 CA VAL A 164 8.917 4.457 8.097 1.00 1.06 C ATOM 2578 C VAL A 164 8.550 5.890 8.494 1.00 1.16 C ATOM 2579 O VAL A 164 8.283 6.703 7.614 1.00 1.24 O ATOM 2580 CB VAL A 164 7.720 3.519 8.414 1.00 1.14 C ATOM 2581 CG1 VAL A 164 6.391 4.022 7.820 1.00 1.25 C ATOM 2582 CG2 VAL A 164 7.952 2.112 7.860 1.00 1.34 C ATOM 0 H VAL A 164 10.108 3.190 9.291 1.00 1.02 H new ATOM 0 HA VAL A 164 9.100 4.395 7.024 1.00 1.06 H new ATOM 0 HB VAL A 164 7.652 3.507 9.502 1.00 1.14 H new ATOM 0 HG11 VAL A 164 5.592 3.326 8.075 1.00 1.25 H new ATOM 0 HG12 VAL A 164 6.159 5.006 8.229 1.00 1.25 H new ATOM 0 HG13 VAL A 164 6.480 4.091 6.736 1.00 1.25 H new ATOM 0 HG21 VAL A 164 7.096 1.481 8.099 1.00 1.34 H new ATOM 0 HG22 VAL A 164 8.075 2.163 6.778 1.00 1.34 H new ATOM 0 HG23 VAL A 164 8.851 1.688 8.308 1.00 1.34 H new ATOM 2592 N VAL A 165 8.576 6.211 9.794 1.00 1.04 N ATOM 2593 CA VAL A 165 8.286 7.570 10.280 1.00 1.08 C ATOM 2594 C VAL A 165 9.166 8.604 9.566 1.00 1.29 C ATOM 2595 O VAL A 165 8.641 9.528 8.955 1.00 1.56 O ATOM 2596 CB VAL A 165 8.475 7.683 11.814 1.00 1.10 C ATOM 2597 CG1 VAL A 165 8.390 9.137 12.323 1.00 1.24 C ATOM 2598 CG2 VAL A 165 7.412 6.873 12.568 1.00 1.33 C ATOM 0 H VAL A 165 8.796 5.544 10.534 1.00 1.04 H new ATOM 0 HA VAL A 165 7.240 7.776 10.052 1.00 1.08 H new ATOM 0 HB VAL A 165 9.473 7.291 12.008 1.00 1.10 H new ATOM 0 HG11 VAL A 165 8.530 9.153 13.404 1.00 1.24 H new ATOM 0 HG12 VAL A 165 9.168 9.735 11.848 1.00 1.24 H new ATOM 0 HG13 VAL A 165 7.412 9.552 12.077 1.00 1.24 H new ATOM 0 HG21 VAL A 165 7.572 6.973 13.642 1.00 1.33 H new ATOM 0 HG22 VAL A 165 6.421 7.247 12.313 1.00 1.33 H new ATOM 0 HG23 VAL A 165 7.487 5.823 12.286 1.00 1.33 H new ATOM 2608 N ALA A 166 10.491 8.467 9.634 1.00 1.16 N ATOM 2609 CA ALA A 166 11.396 9.516 9.171 1.00 1.28 C ATOM 2610 C ALA A 166 11.393 9.711 7.646 1.00 1.42 C ATOM 2611 O ALA A 166 11.410 10.852 7.197 1.00 1.61 O ATOM 2612 CB ALA A 166 12.794 9.162 9.695 1.00 1.36 C ATOM 0 H ALA A 166 10.959 7.640 10.005 1.00 1.16 H new ATOM 0 HA ALA A 166 11.058 10.476 9.561 1.00 1.28 H new ATOM 0 HB1 ALA A 166 13.507 9.921 9.372 1.00 1.36 H new ATOM 0 HB2 ALA A 166 12.775 9.122 10.784 1.00 1.36 H new ATOM 0 HB3 ALA A 166 13.095 8.191 9.301 1.00 1.36 H new ATOM 2618 N ASP A 167 11.350 8.637 6.853 1.00 1.05 N ATOM 2619 CA ASP A 167 11.391 8.690 5.391 1.00 1.00 C ATOM 2620 C ASP A 167 10.098 9.306 4.834 1.00 1.40 C ATOM 2621 O ASP A 167 10.163 10.172 3.966 1.00 1.41 O ATOM 2622 CB ASP A 167 11.675 7.252 4.937 1.00 1.04 C ATOM 2623 CG ASP A 167 11.813 7.010 3.430 1.00 1.43 C ATOM 2624 OD1 ASP A 167 10.805 7.188 2.724 1.00 2.62 O ATOM 2625 OD2 ASP A 167 12.874 6.505 3.003 1.00 2.02 O ATOM 0 H ASP A 167 11.284 7.687 7.218 1.00 1.05 H new ATOM 0 HA ASP A 167 12.172 9.343 5.002 1.00 1.00 H new ATOM 0 HB2 ASP A 167 12.595 6.921 5.418 1.00 1.04 H new ATOM 0 HB3 ASP A 167 10.873 6.615 5.310 1.00 1.04 H new ATOM 2630 N LEU A 168 8.942 8.992 5.444 1.00 1.14 N ATOM 2631 CA LEU A 168 7.690 9.703 5.151 1.00 1.31 C ATOM 2632 C LEU A 168 7.722 11.163 5.625 1.00 1.63 C ATOM 2633 O LEU A 168 7.121 12.018 4.980 1.00 1.85 O ATOM 2634 CB LEU A 168 6.500 8.974 5.796 1.00 1.46 C ATOM 2635 CG LEU A 168 6.236 7.549 5.273 1.00 1.51 C ATOM 2636 CD1 LEU A 168 5.088 6.953 6.101 1.00 1.74 C ATOM 2637 CD2 LEU A 168 5.912 7.501 3.771 1.00 1.97 C ATOM 0 H LEU A 168 8.851 8.253 6.141 1.00 1.14 H new ATOM 0 HA LEU A 168 7.574 9.711 4.067 1.00 1.31 H new ATOM 0 HB2 LEU A 168 6.667 8.923 6.872 1.00 1.46 H new ATOM 0 HB3 LEU A 168 5.602 9.572 5.641 1.00 1.46 H new ATOM 0 HG LEU A 168 7.148 6.963 5.387 1.00 1.51 H new ATOM 0 HD11 LEU A 168 4.876 5.942 5.754 1.00 1.74 H new ATOM 0 HD12 LEU A 168 5.375 6.924 7.152 1.00 1.74 H new ATOM 0 HD13 LEU A 168 4.197 7.570 5.985 1.00 1.74 H new ATOM 0 HD21 LEU A 168 5.737 6.468 3.469 1.00 1.97 H new ATOM 0 HD22 LEU A 168 5.019 8.093 3.572 1.00 1.97 H new ATOM 0 HD23 LEU A 168 6.750 7.907 3.205 1.00 1.97 H new ATOM 2649 N GLN A 169 8.401 11.467 6.730 1.00 1.34 N ATOM 2650 CA GLN A 169 8.547 12.839 7.230 1.00 1.48 C ATOM 2651 C GLN A 169 9.491 13.715 6.393 1.00 1.59 C ATOM 2652 O GLN A 169 9.377 14.934 6.464 1.00 1.64 O ATOM 2653 CB GLN A 169 8.893 12.837 8.730 1.00 1.72 C ATOM 2654 CG GLN A 169 7.637 12.549 9.582 1.00 2.22 C ATOM 2655 CD GLN A 169 7.600 13.276 10.923 1.00 2.43 C ATOM 2656 OE1 GLN A 169 6.566 13.759 11.365 1.00 3.21 O ATOM 2657 NE2 GLN A 169 8.694 13.371 11.646 1.00 2.20 N ATOM 0 H GLN A 169 8.868 10.768 7.308 1.00 1.34 H new ATOM 0 HA GLN A 169 7.576 13.319 7.113 1.00 1.48 H new ATOM 0 HB2 GLN A 169 9.655 12.084 8.931 1.00 1.72 H new ATOM 0 HB3 GLN A 169 9.316 13.801 9.012 1.00 1.72 H new ATOM 0 HG2 GLN A 169 6.753 12.827 9.008 1.00 2.22 H new ATOM 0 HG3 GLN A 169 7.575 11.476 9.763 1.00 2.22 H new ATOM 0 HE21 GLN A 169 9.569 12.977 11.301 1.00 2.20 H new ATOM 0 HE22 GLN A 169 8.668 13.839 12.552 1.00 2.20 H new ATOM 2666 N ALA A 170 10.375 13.137 5.572 1.00 1.25 N ATOM 2667 CA ALA A 170 11.056 13.842 4.481 1.00 1.29 C ATOM 2668 C ALA A 170 10.150 14.144 3.265 1.00 1.43 C ATOM 2669 O ALA A 170 10.505 14.966 2.418 1.00 1.66 O ATOM 2670 CB ALA A 170 12.253 12.986 4.060 1.00 1.28 C ATOM 0 H ALA A 170 10.640 12.155 5.648 1.00 1.25 H new ATOM 0 HA ALA A 170 11.367 14.820 4.849 1.00 1.29 H new ATOM 0 HB1 ALA A 170 12.786 13.480 3.247 1.00 1.28 H new ATOM 0 HB2 ALA A 170 12.925 12.857 4.909 1.00 1.28 H new ATOM 0 HB3 ALA A 170 11.902 12.010 3.723 1.00 1.28 H new ATOM 2676 N LEU A 171 9.026 13.431 3.136 1.00 1.27 N ATOM 2677 CA LEU A 171 8.132 13.426 1.973 1.00 1.34 C ATOM 2678 C LEU A 171 6.739 14.000 2.301 1.00 1.65 C ATOM 2679 O LEU A 171 5.831 13.878 1.473 1.00 1.94 O ATOM 2680 CB LEU A 171 8.024 11.970 1.463 1.00 1.41 C ATOM 2681 CG LEU A 171 9.342 11.345 0.956 1.00 1.52 C ATOM 2682 CD1 LEU A 171 9.109 9.855 0.679 1.00 1.82 C ATOM 2683 CD2 LEU A 171 9.858 12.033 -0.319 1.00 1.85 C ATOM 0 H LEU A 171 8.699 12.811 3.877 1.00 1.27 H new ATOM 0 HA LEU A 171 8.548 14.073 1.200 1.00 1.34 H new ATOM 0 HB2 LEU A 171 7.634 11.349 2.269 1.00 1.41 H new ATOM 0 HB3 LEU A 171 7.293 11.940 0.655 1.00 1.41 H new ATOM 0 HG LEU A 171 10.100 11.480 1.727 1.00 1.52 H new ATOM 0 HD11 LEU A 171 10.034 9.403 0.320 1.00 1.82 H new ATOM 0 HD12 LEU A 171 8.795 9.359 1.597 1.00 1.82 H new ATOM 0 HD13 LEU A 171 8.333 9.743 -0.078 1.00 1.82 H new ATOM 0 HD21 LEU A 171 10.787 11.559 -0.638 1.00 1.85 H new ATOM 0 HD22 LEU A 171 9.113 11.940 -1.109 1.00 1.85 H new ATOM 0 HD23 LEU A 171 10.040 13.088 -0.115 1.00 1.85 H new ATOM 2695 N LEU A 172 6.558 14.621 3.476 1.00 1.46 N ATOM 2696 CA LEU A 172 5.248 14.947 4.078 1.00 1.57 C ATOM 2697 C LEU A 172 4.349 15.963 3.354 1.00 2.07 C ATOM 2698 O LEU A 172 4.828 16.935 2.729 1.00 2.17 O ATOM 2699 CB LEU A 172 5.379 15.185 5.592 1.00 1.72 C ATOM 2700 CG LEU A 172 5.655 16.632 5.986 1.00 2.35 C ATOM 2701 CD1 LEU A 172 5.771 16.683 7.502 1.00 2.26 C ATOM 2702 CD2 LEU A 172 6.927 17.109 5.318 1.00 3.94 C ATOM 2703 OXT LEU A 172 3.114 15.821 3.465 1.00 3.29 O ATOM 0 H LEU A 172 7.342 14.922 4.055 1.00 1.46 H new ATOM 0 HA LEU A 172 4.660 14.043 3.917 1.00 1.57 H new ATOM 0 HB2 LEU A 172 4.460 14.859 6.079 1.00 1.72 H new ATOM 0 HB3 LEU A 172 6.183 14.558 5.977 1.00 1.72 H new ATOM 0 HG LEU A 172 4.849 17.290 5.661 1.00 2.35 H new ATOM 0 HD11 LEU A 172 5.969 17.707 7.818 1.00 2.26 H new ATOM 0 HD12 LEU A 172 4.839 16.339 7.950 1.00 2.26 H new ATOM 0 HD13 LEU A 172 6.589 16.039 7.826 1.00 2.26 H new ATOM 0 HD21 LEU A 172 7.121 18.143 5.602 1.00 3.94 H new ATOM 0 HD22 LEU A 172 7.761 16.483 5.635 1.00 3.94 H new ATOM 0 HD23 LEU A 172 6.816 17.044 4.236 1.00 3.94 H new