USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 786 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 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.7!) USER MOD Set 2.1: A 57 GLN : amide:sc= -1.28 X(o=-0.43,f=-0.46) USER MOD Set 2.2: A 59 GLN : amide:sc= 0.85 K(o=-0.43,f=-1.3) USER MOD Set 3.1: A 22 ASN : amide:sc= 0.0285 K(o=0.96,f=-5.1!) USER MOD Set 3.2: A 72 THR OG1 : rot -56:sc= 0.931 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0041 (180deg=-0.118) USER MOD Single : A 13 ASN : amide:sc= -0.0823 K(o=-0.082,f=-1.3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.126 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 31 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0667 USER MOD Single : A 34 SER OG : rot -91:sc= 1.26 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 41 SER OG : rot 73:sc= 0.949 USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 0.559 (180deg=-0.567!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 64 SER OG : rot -92:sc= 1.43 USER MOD Single : A 65 ASN : amide:sc= 0.46 K(o=0.46,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 97:sc= 0.95 USER MOD Single : A 83 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.82) USER MOD Single : A 93 THR OG1 : rot 103:sc= 1.39 USER MOD Single : A 95 SER OG : rot 106:sc= 1.32 USER MOD Single : A 98 SER OG : rot -54:sc= -0.611 USER MOD Single : A 102 HIS : no HE2:sc= -0.598 K(o=-0.6,f=-1.4) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 107 THR OG1 : rot -80:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 16.829 -5.180 4.370 1.00 1.09 N ATOM 78 CA LYS A 7 15.513 -5.134 5.006 1.00 1.10 C ATOM 79 C LYS A 7 15.159 -3.742 5.529 1.00 0.91 C ATOM 80 O LYS A 7 15.228 -3.486 6.732 1.00 0.98 O ATOM 81 CB LYS A 7 15.439 -6.155 6.145 1.00 1.37 C ATOM 82 CG LYS A 7 14.325 -7.176 5.977 1.00 1.06 C ATOM 83 CD LYS A 7 12.958 -6.514 6.006 1.00 1.05 C ATOM 84 CE LYS A 7 11.930 -7.386 6.705 1.00 1.34 C ATOM 85 NZ LYS A 7 12.160 -7.452 8.172 1.00 2.06 N ATOM 0 HA LYS A 7 14.781 -5.385 4.238 1.00 1.10 H new ATOM 0 HB2 LYS A 7 16.393 -6.678 6.215 1.00 1.37 H new ATOM 0 HB3 LYS A 7 15.296 -5.626 7.087 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.454 -7.706 5.033 1.00 1.06 H new ATOM 0 HG3 LYS A 7 14.388 -7.920 6.772 1.00 1.06 H new ATOM 0 HD2 LYS A 7 13.029 -5.554 6.517 1.00 1.05 H new ATOM 0 HD3 LYS A 7 12.630 -6.310 4.987 1.00 1.05 H new ATOM 0 HE2 LYS A 7 10.931 -6.994 6.512 1.00 1.34 H new ATOM 0 HE3 LYS A 7 11.964 -8.392 6.287 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 11.296 -7.787 8.644 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.941 -8.110 8.372 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 12.405 -6.506 8.528 1.00 2.06 H new ATOM 99 N PRO A 8 14.634 -2.876 4.652 1.00 0.74 N ATOM 100 CA PRO A 8 14.101 -1.576 5.051 1.00 0.60 C ATOM 101 C PRO A 8 12.784 -1.750 5.798 1.00 0.52 C ATOM 102 O PRO A 8 12.222 -2.846 5.815 1.00 0.60 O ATOM 103 CB PRO A 8 13.863 -0.845 3.718 1.00 0.61 C ATOM 104 CG PRO A 8 14.359 -1.766 2.644 1.00 0.84 C ATOM 105 CD PRO A 8 14.375 -3.145 3.237 1.00 0.81 C ATOM 0 HA PRO A 8 14.772 -1.033 5.717 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.805 -0.620 3.580 1.00 0.61 H new ATOM 0 HB3 PRO A 8 14.397 0.105 3.694 1.00 0.61 H new ATOM 0 HG2 PRO A 8 13.709 -1.727 1.770 1.00 0.84 H new ATOM 0 HG3 PRO A 8 15.356 -1.475 2.313 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.427 -3.662 3.089 1.00 0.81 H new ATOM 0 HD3 PRO A 8 15.151 -3.769 2.793 1.00 0.81 H new ATOM 113 N ASP A 9 12.239 -0.668 6.333 1.00 0.44 N ATOM 114 CA ASP A 9 10.899 -0.722 6.899 1.00 0.48 C ATOM 115 C ASP A 9 9.930 -0.298 5.817 1.00 0.41 C ATOM 116 O ASP A 9 9.965 0.848 5.407 1.00 0.41 O ATOM 117 CB ASP A 9 10.778 0.181 8.128 1.00 0.61 C ATOM 118 CG ASP A 9 9.705 -0.285 9.090 1.00 1.02 C ATOM 119 OD1 ASP A 9 9.488 -1.512 9.203 1.00 1.19 O ATOM 120 OD2 ASP A 9 9.074 0.572 9.747 1.00 1.53 O ATOM 0 H ASP A 9 12.694 0.243 6.387 1.00 0.44 H new ATOM 0 HA ASP A 9 10.675 -1.735 7.234 1.00 0.48 H new ATOM 0 HB2 ASP A 9 11.736 0.213 8.646 1.00 0.61 H new ATOM 0 HB3 ASP A 9 10.555 1.198 7.806 1.00 0.61 H new ATOM 125 N PRO A 10 9.261 -1.252 5.156 1.00 0.56 N ATOM 126 CA PRO A 10 8.543 -0.962 3.917 1.00 0.74 C ATOM 127 C PRO A 10 7.632 0.282 4.010 1.00 0.67 C ATOM 128 O PRO A 10 7.975 1.314 3.434 1.00 0.97 O ATOM 129 CB PRO A 10 7.805 -2.272 3.629 1.00 1.05 C ATOM 130 CG PRO A 10 8.690 -3.319 4.208 1.00 1.12 C ATOM 131 CD PRO A 10 9.325 -2.702 5.425 1.00 0.78 C ATOM 0 HA PRO A 10 9.204 -0.679 3.097 1.00 0.74 H new ATOM 0 HB2 PRO A 10 6.818 -2.284 4.091 1.00 1.05 H new ATOM 0 HB3 PRO A 10 7.658 -2.420 2.559 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.119 -4.208 4.475 1.00 1.12 H new ATOM 0 HG3 PRO A 10 9.447 -3.631 3.489 1.00 1.12 H new ATOM 0 HD2 PRO A 10 8.785 -2.965 6.335 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.353 -3.040 5.555 1.00 0.78 H new ATOM 139 N PRO A 11 6.463 0.243 4.681 1.00 0.37 N ATOM 140 CA PRO A 11 5.578 1.385 4.744 1.00 0.38 C ATOM 141 C PRO A 11 5.571 2.064 6.116 1.00 0.28 C ATOM 142 O PRO A 11 5.125 1.483 7.110 1.00 0.35 O ATOM 143 CB PRO A 11 4.223 0.736 4.467 1.00 0.50 C ATOM 144 CG PRO A 11 4.374 -0.710 4.861 1.00 0.64 C ATOM 145 CD PRO A 11 5.808 -0.910 5.283 1.00 0.41 C ATOM 0 HA PRO A 11 5.866 2.178 4.054 1.00 0.38 H new ATOM 0 HB2 PRO A 11 3.433 1.218 5.043 1.00 0.50 H new ATOM 0 HB3 PRO A 11 3.952 0.829 3.415 1.00 0.50 H new ATOM 0 HG2 PRO A 11 3.695 -0.960 5.676 1.00 0.64 H new ATOM 0 HG3 PRO A 11 4.124 -1.364 4.026 1.00 0.64 H new ATOM 0 HD2 PRO A 11 5.917 -0.921 6.368 1.00 0.41 H new ATOM 0 HD3 PRO A 11 6.215 -1.851 4.912 1.00 0.41 H new ATOM 153 N GLU A 12 5.951 3.329 6.150 1.00 0.28 N ATOM 154 CA GLU A 12 5.836 4.116 7.365 1.00 0.30 C ATOM 155 C GLU A 12 4.758 5.178 7.177 1.00 0.28 C ATOM 156 O GLU A 12 4.566 5.669 6.068 1.00 0.31 O ATOM 157 CB GLU A 12 7.174 4.765 7.722 1.00 0.47 C ATOM 158 CG GLU A 12 7.177 5.470 9.071 1.00 0.98 C ATOM 159 CD GLU A 12 7.237 4.511 10.242 1.00 1.58 C ATOM 160 OE1 GLU A 12 6.386 3.598 10.323 1.00 2.09 O ATOM 161 OE2 GLU A 12 8.125 4.678 11.103 1.00 2.11 O ATOM 0 H GLU A 12 6.341 3.832 5.353 1.00 0.28 H new ATOM 0 HA GLU A 12 5.556 3.460 8.189 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.950 3.999 7.722 1.00 0.47 H new ATOM 0 HB3 GLU A 12 7.436 5.485 6.946 1.00 0.47 H new ATOM 0 HG2 GLU A 12 8.030 6.146 9.119 1.00 0.98 H new ATOM 0 HG3 GLU A 12 6.279 6.083 9.156 1.00 0.98 H new ATOM 168 N ASN A 13 4.006 5.461 8.241 1.00 0.33 N ATOM 169 CA ASN A 13 2.905 6.429 8.185 1.00 0.37 C ATOM 170 C ASN A 13 1.839 5.984 7.183 1.00 0.32 C ATOM 171 O ASN A 13 1.364 6.776 6.369 1.00 0.35 O ATOM 172 CB ASN A 13 3.433 7.822 7.812 1.00 0.45 C ATOM 173 CG ASN A 13 2.575 8.951 8.358 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.943 8.823 9.409 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.551 10.068 7.645 1.00 1.01 N ATOM 0 H ASN A 13 4.139 5.032 9.157 1.00 0.33 H new ATOM 0 HA ASN A 13 2.448 6.479 9.174 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.450 7.931 8.189 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.485 7.906 6.726 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.995 10.863 7.961 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.089 10.133 6.781 1.00 1.01 H new ATOM 182 N VAL A 14 1.503 4.700 7.217 1.00 0.30 N ATOM 183 CA VAL A 14 0.532 4.136 6.283 1.00 0.29 C ATOM 184 C VAL A 14 -0.892 4.389 6.751 1.00 0.32 C ATOM 185 O VAL A 14 -1.321 3.854 7.775 1.00 0.47 O ATOM 186 CB VAL A 14 0.714 2.615 6.097 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.607 2.238 4.628 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.038 2.144 6.670 1.00 0.69 C ATOM 0 H VAL A 14 1.888 4.028 7.881 1.00 0.30 H new ATOM 0 HA VAL A 14 0.709 4.635 5.330 1.00 0.29 H new ATOM 0 HB VAL A 14 -0.086 2.116 6.644 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.738 1.162 4.518 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.374 2.525 4.249 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.380 2.757 4.062 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.136 1.068 6.523 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.856 2.655 6.163 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.074 2.369 7.736 1.00 0.69 H new ATOM 198 N VAL A 15 -1.626 5.180 5.986 1.00 0.27 N ATOM 199 CA VAL A 15 -3.013 5.474 6.304 1.00 0.35 C ATOM 200 C VAL A 15 -3.875 5.484 5.045 1.00 0.34 C ATOM 201 O VAL A 15 -3.680 6.307 4.146 1.00 0.39 O ATOM 202 CB VAL A 15 -3.171 6.833 7.027 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.183 6.644 8.535 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.073 7.805 6.612 1.00 1.48 C ATOM 0 H VAL A 15 -1.283 5.631 5.138 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.347 4.682 6.974 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.128 7.262 6.730 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.295 7.613 9.022 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.016 5.999 8.814 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.247 6.185 8.852 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.208 8.752 7.135 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.100 7.385 6.867 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.124 7.974 5.536 1.00 1.48 H new ATOM 214 N ALA A 16 -4.867 4.609 5.027 1.00 0.35 N ATOM 215 CA ALA A 16 -5.837 4.566 3.946 1.00 0.38 C ATOM 216 C ALA A 16 -7.169 5.117 4.439 1.00 0.36 C ATOM 217 O ALA A 16 -7.684 4.681 5.471 1.00 0.39 O ATOM 218 CB ALA A 16 -5.991 3.148 3.426 1.00 0.45 C ATOM 0 H ALA A 16 -5.022 3.913 5.756 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.486 5.184 3.120 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.721 3.134 2.617 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.031 2.791 3.054 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.332 2.499 4.233 1.00 0.45 H new ATOM 224 N ARG A 17 -7.639 6.174 3.799 1.00 0.37 N ATOM 225 CA ARG A 17 -8.804 6.901 4.288 1.00 0.37 C ATOM 226 C ARG A 17 -9.936 6.896 3.261 1.00 0.35 C ATOM 227 O ARG A 17 -9.691 6.809 2.060 1.00 0.48 O ATOM 228 CB ARG A 17 -8.404 8.343 4.634 1.00 0.50 C ATOM 229 CG ARG A 17 -8.312 9.264 3.427 1.00 1.21 C ATOM 230 CD ARG A 17 -8.276 10.725 3.836 1.00 1.69 C ATOM 231 NE ARG A 17 -7.041 11.067 4.534 1.00 2.32 N ATOM 232 CZ ARG A 17 -6.024 11.729 3.982 1.00 3.06 C ATOM 233 NH1 ARG A 17 -6.064 12.085 2.704 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.957 12.018 4.713 1.00 3.99 N ATOM 0 H ARG A 17 -7.235 6.549 2.941 1.00 0.37 H new ATOM 0 HA ARG A 17 -9.170 6.400 5.184 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -9.130 8.752 5.336 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.440 8.330 5.143 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -7.416 9.024 2.854 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -9.165 9.091 2.771 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -8.377 11.352 2.950 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -9.128 10.942 4.480 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.950 10.781 5.509 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -6.878 11.852 2.135 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -5.281 12.591 2.291 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -4.917 11.734 5.692 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.175 12.524 4.297 1.00 3.99 H new ATOM 248 N PRO A 18 -11.191 6.988 3.722 1.00 0.31 N ATOM 249 CA PRO A 18 -12.359 7.023 2.843 1.00 0.38 C ATOM 250 C PRO A 18 -12.487 8.363 2.125 1.00 0.39 C ATOM 251 O PRO A 18 -12.481 9.418 2.758 1.00 0.46 O ATOM 252 CB PRO A 18 -13.550 6.821 3.792 1.00 0.49 C ATOM 253 CG PRO A 18 -12.963 6.488 5.125 1.00 0.57 C ATOM 254 CD PRO A 18 -11.578 7.064 5.134 1.00 0.43 C ATOM 0 HA PRO A 18 -12.296 6.267 2.060 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.161 7.722 3.849 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -14.198 6.018 3.440 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.564 6.910 5.930 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.936 5.409 5.279 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.568 8.090 5.502 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.904 6.490 5.770 1.00 0.43 H new ATOM 262 N VAL A 19 -12.617 8.316 0.808 1.00 0.40 N ATOM 263 CA VAL A 19 -12.770 9.526 0.015 1.00 0.45 C ATOM 264 C VAL A 19 -14.246 9.915 -0.079 1.00 0.48 C ATOM 265 O VAL A 19 -15.071 9.143 -0.557 1.00 0.47 O ATOM 266 CB VAL A 19 -12.177 9.344 -1.400 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.473 10.548 -2.281 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.678 9.106 -1.314 1.00 0.52 C ATOM 0 H VAL A 19 -12.620 7.452 0.265 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.222 10.326 0.512 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.649 8.473 -1.855 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.043 10.390 -3.270 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.552 10.677 -2.371 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.037 11.442 -1.834 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.272 8.979 -2.317 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.201 9.961 -0.835 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.485 8.207 -0.728 1.00 0.52 H new ATOM 278 N PRO A 20 -14.609 11.087 0.462 1.00 0.58 N ATOM 279 CA PRO A 20 -16.007 11.537 0.518 1.00 0.69 C ATOM 280 C PRO A 20 -16.563 11.916 -0.854 1.00 0.70 C ATOM 281 O PRO A 20 -17.775 12.064 -1.027 1.00 1.27 O ATOM 282 CB PRO A 20 -15.952 12.764 1.432 1.00 0.84 C ATOM 283 CG PRO A 20 -14.546 13.244 1.343 1.00 0.97 C ATOM 284 CD PRO A 20 -13.698 12.024 1.140 1.00 0.67 C ATOM 0 HA PRO A 20 -16.668 10.749 0.878 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.653 13.532 1.105 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.217 12.505 2.457 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.425 13.944 0.516 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.257 13.772 2.252 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -12.819 12.241 0.533 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.339 11.622 2.087 1.00 0.67 H new ATOM 292 N SER A 21 -15.673 12.112 -1.816 1.00 0.80 N ATOM 293 CA SER A 21 -16.072 12.507 -3.158 1.00 0.85 C ATOM 294 C SER A 21 -16.494 11.294 -3.990 1.00 0.65 C ATOM 295 O SER A 21 -17.203 11.428 -4.985 1.00 0.69 O ATOM 296 CB SER A 21 -14.918 13.240 -3.836 1.00 1.07 C ATOM 297 OG SER A 21 -13.823 13.382 -2.943 1.00 1.49 O ATOM 0 H SER A 21 -14.667 12.003 -1.691 1.00 0.80 H new ATOM 0 HA SER A 21 -16.932 13.172 -3.083 1.00 0.85 H new ATOM 0 HB2 SER A 21 -14.602 12.691 -4.723 1.00 1.07 H new ATOM 0 HB3 SER A 21 -15.251 14.222 -4.171 1.00 1.07 H new ATOM 0 HG SER A 21 -13.091 13.852 -3.395 1.00 1.49 H new ATOM 303 N ASN A 22 -16.084 10.110 -3.554 1.00 0.55 N ATOM 304 CA ASN A 22 -16.436 8.875 -4.239 1.00 0.44 C ATOM 305 C ASN A 22 -16.459 7.718 -3.245 1.00 0.40 C ATOM 306 O ASN A 22 -15.438 7.384 -2.646 1.00 0.43 O ATOM 307 CB ASN A 22 -15.447 8.602 -5.378 1.00 0.57 C ATOM 308 CG ASN A 22 -15.529 7.191 -5.938 1.00 0.74 C ATOM 309 OD1 ASN A 22 -16.537 6.495 -5.801 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.468 6.769 -6.600 1.00 1.28 N ATOM 0 H ASN A 22 -15.504 9.980 -2.725 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.431 8.975 -4.672 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.630 9.313 -6.183 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.434 8.781 -5.018 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.465 5.839 -7.019 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -13.651 7.373 -6.693 1.00 1.28 H new ATOM 317 N PRO A 23 -17.648 7.143 -3.021 1.00 0.40 N ATOM 318 CA PRO A 23 -17.869 6.081 -2.025 1.00 0.43 C ATOM 319 C PRO A 23 -16.979 4.856 -2.215 1.00 0.48 C ATOM 320 O PRO A 23 -16.741 4.104 -1.277 1.00 0.98 O ATOM 321 CB PRO A 23 -19.333 5.699 -2.244 1.00 0.56 C ATOM 322 CG PRO A 23 -19.955 6.925 -2.800 1.00 0.70 C ATOM 323 CD PRO A 23 -18.909 7.548 -3.672 1.00 0.48 C ATOM 0 HA PRO A 23 -17.631 6.433 -1.021 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.426 4.859 -2.933 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.810 5.400 -1.310 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.851 6.685 -3.373 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.258 7.606 -2.005 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.969 7.183 -4.697 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.012 8.632 -3.713 1.00 0.48 H new ATOM 331 N ARG A 24 -16.528 4.631 -3.435 1.00 0.31 N ATOM 332 CA ARG A 24 -15.730 3.452 -3.742 1.00 0.27 C ATOM 333 C ARG A 24 -14.240 3.735 -3.589 1.00 0.26 C ATOM 334 O ARG A 24 -13.406 2.869 -3.862 1.00 0.31 O ATOM 335 CB ARG A 24 -16.015 2.998 -5.174 1.00 0.35 C ATOM 336 CG ARG A 24 -16.400 1.533 -5.298 1.00 0.37 C ATOM 337 CD ARG A 24 -16.745 1.154 -6.733 1.00 0.62 C ATOM 338 NE ARG A 24 -16.985 2.325 -7.576 1.00 1.27 N ATOM 339 CZ ARG A 24 -16.356 2.560 -8.728 1.00 2.02 C ATOM 340 NH1 ARG A 24 -15.480 1.681 -9.208 1.00 2.44 N ATOM 341 NH2 ARG A 24 -16.608 3.676 -9.401 1.00 2.86 N ATOM 0 H ARG A 24 -16.699 5.246 -4.230 1.00 0.31 H new ATOM 0 HA ARG A 24 -16.004 2.666 -3.038 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.819 3.609 -5.584 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.131 3.183 -5.785 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.577 0.911 -4.946 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.254 1.327 -4.653 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -15.931 0.565 -7.156 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -17.632 0.520 -6.735 1.00 0.62 H new ATOM 0 HE ARG A 24 -17.678 3.005 -7.263 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -15.286 0.821 -8.694 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -15.002 1.867 -10.090 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -17.281 4.350 -9.037 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -16.129 3.859 -10.283 1.00 2.86 H new ATOM 355 N ARG A 25 -13.906 4.983 -3.284 1.00 0.23 N ATOM 356 CA ARG A 25 -12.516 5.413 -3.310 1.00 0.26 C ATOM 357 C ARG A 25 -11.873 5.462 -1.926 1.00 0.24 C ATOM 358 O ARG A 25 -12.395 6.081 -0.996 1.00 0.24 O ATOM 359 CB ARG A 25 -12.408 6.786 -3.971 1.00 0.32 C ATOM 360 CG ARG A 25 -11.287 6.882 -4.992 1.00 0.51 C ATOM 361 CD ARG A 25 -10.385 8.068 -4.708 1.00 0.80 C ATOM 362 NE ARG A 25 -9.987 8.761 -5.929 1.00 1.32 N ATOM 363 CZ ARG A 25 -9.708 10.063 -5.989 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.790 10.817 -4.899 1.00 2.14 N ATOM 365 NH2 ARG A 25 -9.358 10.613 -7.144 1.00 2.31 N ATOM 0 H ARG A 25 -14.572 5.708 -3.018 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.971 4.666 -3.888 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.354 7.021 -4.459 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.252 7.540 -3.200 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.700 5.964 -4.978 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.710 6.975 -5.992 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -10.901 8.765 -4.048 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -9.495 7.727 -4.179 1.00 0.80 H new ATOM 0 HE ARG A 25 -9.918 8.216 -6.789 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.068 10.400 -4.010 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.575 11.813 -4.950 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -9.302 10.040 -7.986 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -9.144 11.609 -7.190 1.00 2.31 H new ATOM 379 N LEU A 26 -10.655 4.941 -1.865 1.00 0.29 N ATOM 380 CA LEU A 26 -9.811 5.053 -0.686 1.00 0.35 C ATOM 381 C LEU A 26 -8.571 5.875 -1.024 1.00 0.39 C ATOM 382 O LEU A 26 -7.984 5.709 -2.099 1.00 0.44 O ATOM 383 CB LEU A 26 -9.364 3.672 -0.196 1.00 0.44 C ATOM 384 CG LEU A 26 -10.384 2.886 0.628 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.901 1.460 0.841 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.618 3.564 1.964 1.00 0.43 C ATOM 0 H LEU A 26 -10.225 4.428 -2.634 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.389 5.538 0.100 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.090 3.073 -1.064 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.462 3.796 0.403 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.326 2.859 0.081 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.636 0.911 1.429 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.771 0.972 -0.125 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.949 1.474 1.372 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.347 2.993 2.539 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.679 3.615 2.516 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.997 4.573 1.799 1.00 0.43 H new ATOM 398 N GLU A 27 -8.140 6.699 -0.085 1.00 0.41 N ATOM 399 CA GLU A 27 -6.911 7.461 -0.232 1.00 0.47 C ATOM 400 C GLU A 27 -5.799 6.765 0.537 1.00 0.41 C ATOM 401 O GLU A 27 -5.844 6.680 1.763 1.00 0.48 O ATOM 402 CB GLU A 27 -7.097 8.887 0.283 1.00 0.51 C ATOM 403 CG GLU A 27 -6.599 9.953 -0.675 1.00 0.99 C ATOM 404 CD GLU A 27 -7.283 11.288 -0.465 1.00 1.26 C ATOM 405 OE1 GLU A 27 -7.740 11.561 0.666 1.00 1.63 O ATOM 406 OE2 GLU A 27 -7.356 12.076 -1.433 1.00 1.82 O ATOM 0 H GLU A 27 -8.628 6.859 0.796 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.647 7.515 -1.288 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -8.155 9.056 0.482 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.573 8.992 1.233 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.523 10.076 -0.549 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -6.764 9.621 -1.700 1.00 0.99 H new ATOM 413 N VAL A 28 -4.870 6.172 -0.189 1.00 0.40 N ATOM 414 CA VAL A 28 -3.811 5.375 0.413 1.00 0.38 C ATOM 415 C VAL A 28 -2.510 6.164 0.473 1.00 0.35 C ATOM 416 O VAL A 28 -1.710 6.135 -0.462 1.00 0.42 O ATOM 417 CB VAL A 28 -3.575 4.065 -0.373 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.246 2.926 0.571 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.784 3.712 -1.225 1.00 0.68 C ATOM 0 H VAL A 28 -4.825 6.227 -1.207 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.131 5.125 1.424 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.725 4.223 -1.037 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.084 2.013 -0.003 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.343 3.168 1.132 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.074 2.777 1.264 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.590 2.786 -1.767 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.655 3.581 -0.583 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.975 4.515 -1.937 1.00 0.68 H new ATOM 429 N THR A 29 -2.314 6.888 1.560 1.00 0.31 N ATOM 430 CA THR A 29 -1.121 7.702 1.721 1.00 0.30 C ATOM 431 C THR A 29 -0.140 7.054 2.693 1.00 0.28 C ATOM 432 O THR A 29 -0.549 6.442 3.682 1.00 0.31 O ATOM 433 CB THR A 29 -1.479 9.114 2.221 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.639 9.059 3.066 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.752 10.049 1.055 1.00 0.59 C ATOM 0 H THR A 29 -2.965 6.930 2.344 1.00 0.31 H new ATOM 0 HA THR A 29 -0.649 7.780 0.742 1.00 0.30 H new ATOM 0 HB THR A 29 -0.630 9.496 2.788 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.858 9.961 3.380 1.00 0.69 H new ATOM 0 HG21 THR A 29 -2.003 11.040 1.434 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.864 10.115 0.426 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.585 9.664 0.467 1.00 0.59 H new ATOM 443 N TRP A 30 1.150 7.187 2.404 1.00 0.27 N ATOM 444 CA TRP A 30 2.190 6.634 3.260 1.00 0.28 C ATOM 445 C TRP A 30 3.495 7.399 3.080 1.00 0.27 C ATOM 446 O TRP A 30 3.528 8.447 2.433 1.00 0.33 O ATOM 447 CB TRP A 30 2.407 5.143 2.960 1.00 0.29 C ATOM 448 CG TRP A 30 2.740 4.849 1.526 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.924 5.091 0.888 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.881 4.249 0.554 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.847 4.691 -0.420 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.607 4.168 -0.650 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.567 3.773 0.580 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.063 3.635 -1.814 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.030 3.242 -0.578 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.778 3.177 -1.759 1.00 0.46 C ATOM 0 H TRP A 30 1.500 7.675 1.580 1.00 0.27 H new ATOM 0 HA TRP A 30 1.864 6.736 4.295 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.212 4.769 3.593 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.506 4.594 3.233 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.795 5.534 1.349 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.594 4.771 -1.110 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.017 3.819 1.487 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.636 3.585 -2.728 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.984 2.871 -0.571 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.329 2.755 -2.646 1.00 0.46 H new ATOM 467 N GLN A 31 4.567 6.838 3.614 1.00 0.28 N ATOM 468 CA GLN A 31 5.900 7.398 3.487 1.00 0.29 C ATOM 469 C GLN A 31 6.911 6.265 3.551 1.00 0.29 C ATOM 470 O GLN A 31 6.567 5.145 3.936 1.00 0.29 O ATOM 471 CB GLN A 31 6.173 8.394 4.622 1.00 0.32 C ATOM 472 CG GLN A 31 7.224 9.444 4.293 1.00 0.64 C ATOM 473 CD GLN A 31 6.929 10.200 3.015 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.762 10.255 2.108 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.746 10.782 2.931 1.00 0.79 N ATOM 0 H GLN A 31 4.535 5.973 4.153 1.00 0.28 H new ATOM 0 HA GLN A 31 5.982 7.925 2.537 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.241 8.897 4.880 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.492 7.842 5.506 1.00 0.32 H new ATOM 0 HG2 GLN A 31 7.293 10.152 5.119 1.00 0.64 H new ATOM 0 HG3 GLN A 31 8.197 8.961 4.206 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.087 10.711 3.706 1.00 0.79 H new ATOM 0 HE22 GLN A 31 5.492 11.302 2.091 1.00 0.79 H new ATOM 484 N THR A 32 8.169 6.576 3.290 1.00 0.34 N ATOM 485 CA THR A 32 9.226 5.605 3.469 1.00 0.36 C ATOM 486 C THR A 32 9.520 5.439 4.954 1.00 0.41 C ATOM 487 O THR A 32 9.075 6.252 5.772 1.00 0.49 O ATOM 488 CB THR A 32 10.514 6.035 2.753 1.00 0.42 C ATOM 489 OG1 THR A 32 10.584 7.470 2.699 1.00 0.49 O ATOM 490 CG2 THR A 32 10.571 5.465 1.344 1.00 0.49 C ATOM 0 H THR A 32 8.479 7.488 2.956 1.00 0.34 H new ATOM 0 HA THR A 32 8.889 4.662 3.038 1.00 0.36 H new ATOM 0 HB THR A 32 11.364 5.647 3.315 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.408 7.740 2.243 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.493 5.785 0.859 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.544 4.376 1.391 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.716 5.825 0.771 1.00 0.49 H new ATOM 498 N PRO A 33 10.295 4.413 5.323 1.00 0.39 N ATOM 499 CA PRO A 33 10.662 4.159 6.714 1.00 0.46 C ATOM 500 C PRO A 33 11.293 5.371 7.378 1.00 0.56 C ATOM 501 O PRO A 33 11.893 6.220 6.711 1.00 0.60 O ATOM 502 CB PRO A 33 11.694 3.028 6.627 1.00 0.46 C ATOM 503 CG PRO A 33 12.073 2.933 5.188 1.00 0.42 C ATOM 504 CD PRO A 33 10.886 3.423 4.418 1.00 0.35 C ATOM 0 HA PRO A 33 9.785 3.914 7.313 1.00 0.46 H new ATOM 0 HB2 PRO A 33 12.564 3.244 7.247 1.00 0.46 H new ATOM 0 HB3 PRO A 33 11.274 2.087 6.984 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.954 3.539 4.975 1.00 0.42 H new ATOM 0 HG3 PRO A 33 12.319 1.907 4.916 1.00 0.42 H new ATOM 0 HD2 PRO A 33 11.177 3.868 3.467 1.00 0.35 H new ATOM 0 HD3 PRO A 33 10.190 2.616 4.192 1.00 0.35 H new ATOM 512 N SER A 34 11.270 5.378 8.697 1.00 0.66 N ATOM 513 CA SER A 34 11.944 6.408 9.471 1.00 0.80 C ATOM 514 C SER A 34 13.456 6.276 9.293 1.00 0.86 C ATOM 515 O SER A 34 14.210 7.228 9.487 1.00 0.96 O ATOM 516 CB SER A 34 11.561 6.277 10.944 1.00 0.92 C ATOM 517 OG SER A 34 10.764 5.119 11.156 1.00 1.02 O ATOM 0 H SER A 34 10.788 4.677 9.260 1.00 0.66 H new ATOM 0 HA SER A 34 11.636 7.392 9.118 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.462 6.221 11.555 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.014 7.164 11.263 1.00 0.92 H new ATOM 0 HG SER A 34 9.817 5.353 11.067 1.00 1.02 H new ATOM 523 N THR A 35 13.877 5.090 8.875 1.00 0.82 N ATOM 524 CA THR A 35 15.279 4.797 8.634 1.00 0.91 C ATOM 525 C THR A 35 15.701 5.207 7.221 1.00 0.92 C ATOM 526 O THR A 35 16.866 5.067 6.845 1.00 1.11 O ATOM 527 CB THR A 35 15.533 3.293 8.823 1.00 0.89 C ATOM 528 OG1 THR A 35 14.272 2.609 8.902 1.00 0.85 O ATOM 529 CG2 THR A 35 16.340 3.025 10.082 1.00 1.08 C ATOM 0 H THR A 35 13.253 4.304 8.694 1.00 0.82 H new ATOM 0 HA THR A 35 15.870 5.370 9.349 1.00 0.91 H new ATOM 0 HB THR A 35 16.106 2.928 7.971 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.428 1.649 9.021 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.503 1.953 10.188 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.302 3.533 10.013 1.00 1.08 H new ATOM 0 HG23 THR A 35 15.795 3.397 10.950 1.00 1.08 H new ATOM 537 N TRP A 36 14.745 5.680 6.430 1.00 0.80 N ATOM 538 CA TRP A 36 15.012 6.078 5.053 1.00 0.83 C ATOM 539 C TRP A 36 14.899 7.591 4.892 1.00 1.00 C ATOM 540 O TRP A 36 13.795 8.140 4.866 1.00 1.09 O ATOM 541 CB TRP A 36 14.028 5.393 4.107 1.00 0.74 C ATOM 542 CG TRP A 36 14.671 4.483 3.105 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.615 4.600 1.747 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.454 3.313 3.377 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.312 3.575 1.157 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.840 2.774 2.135 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.872 2.668 4.547 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.619 1.622 2.031 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.645 1.527 4.442 1.00 1.14 C ATOM 550 CH2 TRP A 36 17.013 1.015 3.192 1.00 1.21 C ATOM 0 H TRP A 36 13.774 5.798 6.720 1.00 0.80 H new ATOM 0 HA TRP A 36 16.029 5.773 4.805 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.314 4.818 4.697 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.461 6.157 3.576 1.00 0.74 H new ATOM 0 HD1 TRP A 36 14.098 5.384 1.214 1.00 0.86 H new ATOM 0 HE1 TRP A 36 15.419 3.433 0.153 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.595 3.056 5.516 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.901 1.223 1.068 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.971 1.022 5.339 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.620 0.123 3.143 1.00 1.21 H new ATOM 561 N PRO A 37 16.037 8.291 4.807 1.00 1.20 N ATOM 562 CA PRO A 37 16.066 9.741 4.640 1.00 1.44 C ATOM 563 C PRO A 37 15.755 10.145 3.200 1.00 1.34 C ATOM 564 O PRO A 37 14.610 10.460 2.865 1.00 1.49 O ATOM 565 CB PRO A 37 17.509 10.127 5.016 1.00 1.76 C ATOM 566 CG PRO A 37 18.161 8.866 5.492 1.00 1.78 C ATOM 567 CD PRO A 37 17.390 7.735 4.879 1.00 1.34 C ATOM 0 HA PRO A 37 15.317 10.243 5.253 1.00 1.44 H new ATOM 0 HB2 PRO A 37 18.039 10.541 4.158 1.00 1.76 H new ATOM 0 HB3 PRO A 37 17.519 10.890 5.795 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.208 8.832 5.190 1.00 1.78 H new ATOM 0 HG3 PRO A 37 18.141 8.805 6.580 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.773 7.466 3.895 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.429 6.835 5.493 1.00 1.34 H new ATOM 575 N ASP A 38 16.767 10.079 2.346 1.00 1.33 N ATOM 576 CA ASP A 38 16.599 10.368 0.929 1.00 1.35 C ATOM 577 C ASP A 38 16.279 9.089 0.157 1.00 1.29 C ATOM 578 O ASP A 38 17.107 8.179 0.078 1.00 1.42 O ATOM 579 CB ASP A 38 17.862 11.023 0.368 1.00 1.65 C ATOM 580 CG ASP A 38 17.807 11.193 -1.137 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.317 12.241 -1.603 1.00 2.28 O ATOM 582 OD2 ASP A 38 18.243 10.273 -1.862 1.00 2.16 O ATOM 0 H ASP A 38 17.719 9.826 2.612 1.00 1.33 H new ATOM 0 HA ASP A 38 15.765 11.060 0.814 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.001 11.998 0.836 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.729 10.417 0.631 1.00 1.65 H new ATOM 587 N PRO A 39 15.063 8.985 -0.398 1.00 1.31 N ATOM 588 CA PRO A 39 14.629 7.794 -1.128 1.00 1.44 C ATOM 589 C PRO A 39 15.079 7.800 -2.587 1.00 1.61 C ATOM 590 O PRO A 39 14.699 6.930 -3.370 1.00 1.84 O ATOM 591 CB PRO A 39 13.108 7.876 -1.028 1.00 1.62 C ATOM 592 CG PRO A 39 12.811 9.337 -0.981 1.00 1.69 C ATOM 593 CD PRO A 39 13.991 9.998 -0.312 1.00 1.44 C ATOM 0 HA PRO A 39 15.054 6.878 -0.717 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.629 7.402 -1.884 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.742 7.368 -0.136 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.663 9.734 -1.985 1.00 1.69 H new ATOM 0 HG3 PRO A 39 11.894 9.528 -0.424 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.272 10.921 -0.819 1.00 1.44 H new ATOM 0 HD3 PRO A 39 13.769 10.258 0.723 1.00 1.44 H new ATOM 601 N GLU A 40 15.908 8.772 -2.943 1.00 1.57 N ATOM 602 CA GLU A 40 16.437 8.869 -4.295 1.00 1.76 C ATOM 603 C GLU A 40 17.701 8.027 -4.422 1.00 1.76 C ATOM 604 O GLU A 40 17.926 7.366 -5.436 1.00 1.90 O ATOM 605 CB GLU A 40 16.731 10.331 -4.649 1.00 1.90 C ATOM 606 CG GLU A 40 16.389 10.712 -6.083 1.00 2.12 C ATOM 607 CD GLU A 40 15.326 9.827 -6.703 1.00 2.36 C ATOM 608 OE1 GLU A 40 14.194 9.784 -6.178 1.00 2.63 O ATOM 609 OE2 GLU A 40 15.615 9.175 -7.727 1.00 2.91 O ATOM 0 H GLU A 40 16.229 9.506 -2.312 1.00 1.57 H new ATOM 0 HA GLU A 40 15.691 8.489 -4.993 1.00 1.76 H new ATOM 0 HB2 GLU A 40 16.171 10.976 -3.971 1.00 1.90 H new ATOM 0 HB3 GLU A 40 17.789 10.528 -4.476 1.00 1.90 H new ATOM 0 HG2 GLU A 40 16.048 11.747 -6.105 1.00 2.12 H new ATOM 0 HG3 GLU A 40 17.293 10.662 -6.690 1.00 2.12 H new ATOM 616 N SER A 41 18.504 8.026 -3.367 1.00 1.67 N ATOM 617 CA SER A 41 19.718 7.223 -3.328 1.00 1.75 C ATOM 618 C SER A 41 19.365 5.752 -3.163 1.00 1.63 C ATOM 619 O SER A 41 19.918 4.882 -3.839 1.00 1.67 O ATOM 620 CB SER A 41 20.627 7.677 -2.183 1.00 1.82 C ATOM 621 OG SER A 41 20.545 9.080 -1.986 1.00 1.89 O ATOM 0 H SER A 41 18.336 8.575 -2.524 1.00 1.67 H new ATOM 0 HA SER A 41 20.253 7.357 -4.268 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.345 7.161 -1.265 1.00 1.82 H new ATOM 0 HB3 SER A 41 21.658 7.398 -2.401 1.00 1.82 H new ATOM 0 HG SER A 41 19.682 9.303 -1.578 1.00 1.89 H new ATOM 627 N PHE A 42 18.392 5.490 -2.302 1.00 1.51 N ATOM 628 CA PHE A 42 17.905 4.137 -2.089 1.00 1.41 C ATOM 629 C PHE A 42 16.438 4.044 -2.501 1.00 1.27 C ATOM 630 O PHE A 42 15.541 4.319 -1.700 1.00 1.40 O ATOM 631 CB PHE A 42 18.077 3.712 -0.624 1.00 1.58 C ATOM 632 CG PHE A 42 19.108 4.497 0.140 1.00 2.08 C ATOM 633 CD1 PHE A 42 20.461 4.296 -0.083 1.00 2.54 C ATOM 634 CD2 PHE A 42 18.720 5.433 1.086 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.407 5.013 0.625 1.00 3.12 C ATOM 636 CE2 PHE A 42 19.661 6.152 1.795 1.00 3.01 C ATOM 637 CZ PHE A 42 21.006 5.943 1.564 1.00 3.32 C ATOM 0 H PHE A 42 17.924 6.200 -1.739 1.00 1.51 H new ATOM 0 HA PHE A 42 18.494 3.458 -2.705 1.00 1.41 H new ATOM 0 HB2 PHE A 42 17.117 3.808 -0.117 1.00 1.58 H new ATOM 0 HB3 PHE A 42 18.348 2.657 -0.595 1.00 1.58 H new ATOM 0 HD1 PHE A 42 20.780 3.571 -0.818 1.00 2.54 H new ATOM 0 HD2 PHE A 42 17.669 5.602 1.270 1.00 2.38 H new ATOM 0 HE1 PHE A 42 22.459 4.846 0.444 1.00 3.12 H new ATOM 0 HE2 PHE A 42 19.345 6.878 2.530 1.00 3.01 H new ATOM 0 HZ PHE A 42 21.744 6.506 2.117 1.00 3.32 H new ATOM 647 N PRO A 43 16.181 3.757 -3.787 1.00 1.24 N ATOM 648 CA PRO A 43 14.825 3.717 -4.343 1.00 1.33 C ATOM 649 C PRO A 43 13.979 2.600 -3.745 1.00 1.26 C ATOM 650 O PRO A 43 14.065 1.445 -4.170 1.00 1.97 O ATOM 651 CB PRO A 43 15.047 3.466 -5.839 1.00 1.58 C ATOM 652 CG PRO A 43 16.467 3.838 -6.087 1.00 1.75 C ATOM 653 CD PRO A 43 17.198 3.513 -4.820 1.00 1.40 C ATOM 0 HA PRO A 43 14.281 4.637 -4.127 1.00 1.33 H new ATOM 0 HB2 PRO A 43 14.862 2.423 -6.096 1.00 1.58 H new ATOM 0 HB3 PRO A 43 14.370 4.068 -6.445 1.00 1.58 H new ATOM 0 HG2 PRO A 43 16.876 3.280 -6.929 1.00 1.75 H new ATOM 0 HG3 PRO A 43 16.558 4.896 -6.331 1.00 1.75 H new ATOM 0 HD2 PRO A 43 17.548 2.481 -4.808 1.00 1.40 H new ATOM 0 HD3 PRO A 43 18.074 4.148 -4.684 1.00 1.40 H new ATOM 661 N LEU A 44 13.141 2.959 -2.785 1.00 0.98 N ATOM 662 CA LEU A 44 12.247 2.004 -2.150 1.00 0.82 C ATOM 663 C LEU A 44 11.047 1.719 -3.046 1.00 0.78 C ATOM 664 O LEU A 44 10.117 2.523 -3.124 1.00 0.98 O ATOM 665 CB LEU A 44 11.767 2.538 -0.792 1.00 0.83 C ATOM 666 CG LEU A 44 12.199 1.737 0.445 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.057 1.647 1.440 1.00 1.54 C ATOM 668 CD2 LEU A 44 12.676 0.345 0.075 1.00 1.29 C ATOM 0 H LEU A 44 13.062 3.911 -2.427 1.00 0.98 H new ATOM 0 HA LEU A 44 12.797 1.077 -1.991 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.127 3.561 -0.680 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.678 2.583 -0.807 1.00 0.83 H new ATOM 0 HG LEU A 44 13.035 2.266 0.902 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.378 1.076 2.312 1.00 1.54 H new ATOM 0 HD12 LEU A 44 10.765 2.650 1.750 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.207 1.150 0.974 1.00 1.54 H new ATOM 0 HD21 LEU A 44 12.973 -0.190 0.977 1.00 1.29 H new ATOM 0 HD22 LEU A 44 11.869 -0.197 -0.419 1.00 1.29 H new ATOM 0 HD23 LEU A 44 13.529 0.420 -0.599 1.00 1.29 H new ATOM 680 N LYS A 45 11.060 0.565 -3.694 1.00 0.70 N ATOM 681 CA LYS A 45 9.948 0.144 -4.531 1.00 0.68 C ATOM 682 C LYS A 45 8.810 -0.352 -3.651 1.00 0.60 C ATOM 683 O LYS A 45 8.989 -1.286 -2.872 1.00 0.76 O ATOM 684 CB LYS A 45 10.391 -0.965 -5.488 1.00 0.78 C ATOM 685 CG LYS A 45 10.824 -0.463 -6.852 1.00 1.13 C ATOM 686 CD LYS A 45 10.106 -1.209 -7.964 1.00 1.25 C ATOM 687 CE LYS A 45 10.635 -0.817 -9.334 1.00 1.41 C ATOM 688 NZ LYS A 45 9.911 -1.515 -10.428 1.00 1.75 N ATOM 0 H LYS A 45 11.833 -0.100 -3.656 1.00 0.70 H new ATOM 0 HA LYS A 45 9.606 0.994 -5.121 1.00 0.68 H new ATOM 0 HB2 LYS A 45 11.216 -1.514 -5.035 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.570 -1.671 -5.615 1.00 0.78 H new ATOM 0 HG2 LYS A 45 10.616 0.604 -6.933 1.00 1.13 H new ATOM 0 HG3 LYS A 45 11.901 -0.587 -6.963 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.228 -2.283 -7.820 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.038 -1.000 -7.912 1.00 1.25 H new ATOM 0 HE2 LYS A 45 10.539 0.261 -9.465 1.00 1.41 H new ATOM 0 HE3 LYS A 45 11.698 -1.052 -9.394 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 10.596 -1.990 -11.050 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.265 -2.222 -10.021 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 9.364 -0.823 -10.979 1.00 1.75 H new ATOM 702 N PHE A 46 7.675 0.320 -3.714 1.00 0.46 N ATOM 703 CA PHE A 46 6.541 -0.036 -2.879 1.00 0.41 C ATOM 704 C PHE A 46 5.670 -1.075 -3.571 1.00 0.44 C ATOM 705 O PHE A 46 5.462 -1.020 -4.783 1.00 0.58 O ATOM 706 CB PHE A 46 5.717 1.207 -2.537 1.00 0.42 C ATOM 707 CG PHE A 46 6.129 1.853 -1.246 1.00 0.37 C ATOM 708 CD1 PHE A 46 5.580 1.437 -0.045 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.070 2.872 -1.233 1.00 0.45 C ATOM 710 CE1 PHE A 46 5.960 2.024 1.145 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.455 3.461 -0.045 1.00 0.48 C ATOM 712 CZ PHE A 46 6.899 3.037 1.146 1.00 0.47 C ATOM 0 H PHE A 46 7.513 1.114 -4.333 1.00 0.46 H new ATOM 0 HA PHE A 46 6.920 -0.467 -1.953 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.813 1.932 -3.345 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.664 0.932 -2.478 1.00 0.42 H new ATOM 0 HD1 PHE A 46 4.846 0.644 -0.039 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.506 3.208 -2.162 1.00 0.45 H new ATOM 0 HE1 PHE A 46 5.523 1.691 2.075 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.190 4.252 -0.047 1.00 0.48 H new ATOM 0 HZ PHE A 46 7.198 3.497 2.076 1.00 0.47 H new ATOM 722 N PHE A 47 5.182 -2.030 -2.799 1.00 0.40 N ATOM 723 CA PHE A 47 4.336 -3.086 -3.327 1.00 0.44 C ATOM 724 C PHE A 47 3.022 -3.117 -2.562 1.00 0.39 C ATOM 725 O PHE A 47 3.010 -3.016 -1.335 1.00 0.59 O ATOM 726 CB PHE A 47 5.048 -4.438 -3.235 1.00 0.55 C ATOM 727 CG PHE A 47 6.419 -4.429 -3.852 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.574 -4.341 -5.226 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.550 -4.498 -3.056 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.834 -4.326 -5.795 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.811 -4.483 -3.620 1.00 0.75 C ATOM 732 CZ PHE A 47 8.953 -4.396 -4.991 1.00 0.73 C ATOM 0 H PHE A 47 5.359 -2.096 -1.797 1.00 0.40 H new ATOM 0 HA PHE A 47 4.128 -2.886 -4.378 1.00 0.44 H new ATOM 0 HB2 PHE A 47 5.130 -4.727 -2.187 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.440 -5.196 -3.728 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.701 -4.283 -5.859 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.445 -4.564 -1.983 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.942 -4.260 -6.868 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.686 -4.539 -2.989 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.938 -4.383 -5.433 1.00 0.73 H new ATOM 742 N LEU A 48 1.922 -3.104 -3.295 1.00 0.33 N ATOM 743 CA LEU A 48 0.610 -2.975 -2.685 1.00 0.35 C ATOM 744 C LEU A 48 -0.317 -4.118 -3.084 1.00 0.35 C ATOM 745 O LEU A 48 -0.307 -4.577 -4.230 1.00 0.57 O ATOM 746 CB LEU A 48 -0.008 -1.636 -3.090 1.00 0.44 C ATOM 747 CG LEU A 48 -1.272 -1.242 -2.332 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.014 -0.024 -1.462 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.406 -0.971 -3.304 1.00 1.05 C ATOM 0 H LEU A 48 1.911 -3.181 -4.312 1.00 0.33 H new ATOM 0 HA LEU A 48 0.734 -3.017 -1.603 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.738 -0.854 -2.950 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.239 -1.669 -4.155 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.560 -2.070 -1.685 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.927 0.242 -0.929 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.227 -0.251 -0.743 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.703 0.812 -2.089 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.302 -0.691 -2.749 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.125 -0.158 -3.974 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.607 -1.869 -3.888 1.00 1.05 H new ATOM 761 N ARG A 49 -1.161 -4.517 -2.142 1.00 0.26 N ATOM 762 CA ARG A 49 -2.189 -5.521 -2.379 1.00 0.27 C ATOM 763 C ARG A 49 -3.399 -5.201 -1.515 1.00 0.24 C ATOM 764 O ARG A 49 -3.256 -4.938 -0.324 1.00 0.30 O ATOM 765 CB ARG A 49 -1.669 -6.931 -2.068 1.00 0.34 C ATOM 766 CG ARG A 49 -0.677 -6.984 -0.916 1.00 0.44 C ATOM 767 CD ARG A 49 0.031 -8.327 -0.836 1.00 0.75 C ATOM 768 NE ARG A 49 0.123 -8.992 -2.139 1.00 1.07 N ATOM 769 CZ ARG A 49 0.099 -10.315 -2.297 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.028 -11.108 -1.234 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.153 -10.845 -3.513 1.00 2.02 N ATOM 0 H ARG A 49 -1.152 -4.152 -1.189 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.470 -5.500 -3.432 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.516 -7.576 -1.835 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.195 -7.338 -2.961 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.061 -6.191 -1.037 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.199 -6.793 0.021 1.00 0.44 H new ATOM 0 HD2 ARG A 49 1.034 -8.182 -0.434 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -0.501 -8.974 -0.139 1.00 0.75 H new ATOM 0 HE ARG A 49 0.210 -8.409 -2.972 1.00 1.07 H new ATOM 0 HH11 ARG A 49 -0.008 -10.704 -0.298 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.010 -12.121 -1.354 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.213 -10.239 -4.331 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.134 -11.858 -3.629 1.00 2.02 H new ATOM 785 N TYR A 50 -4.574 -5.144 -2.124 1.00 0.26 N ATOM 786 CA TYR A 50 -5.781 -4.773 -1.396 1.00 0.27 C ATOM 787 C TYR A 50 -6.867 -5.836 -1.553 1.00 0.28 C ATOM 788 O TYR A 50 -7.533 -5.920 -2.586 1.00 0.36 O ATOM 789 CB TYR A 50 -6.300 -3.390 -1.840 1.00 0.35 C ATOM 790 CG TYR A 50 -6.289 -3.143 -3.340 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.100 -2.882 -4.014 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.461 -3.188 -4.084 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.083 -2.664 -5.378 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.451 -2.971 -5.448 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.274 -2.671 -6.085 1.00 0.90 C ATOM 796 OH TYR A 50 -6.254 -2.477 -7.447 1.00 1.13 O ATOM 0 H TYR A 50 -4.719 -5.348 -3.113 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.521 -4.709 -0.339 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.320 -3.269 -1.476 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.696 -2.622 -1.357 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.173 -2.849 -3.460 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.397 -3.396 -3.587 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.148 -2.489 -5.889 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.369 -3.038 -6.013 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.169 -2.511 -7.796 1.00 1.13 H new ATOM 806 N ARG A 51 -6.977 -6.698 -0.553 1.00 0.29 N ATOM 807 CA ARG A 51 -7.951 -7.785 -0.567 1.00 0.34 C ATOM 808 C ARG A 51 -9.247 -7.386 0.133 1.00 0.29 C ATOM 809 O ARG A 51 -9.234 -7.018 1.306 1.00 0.33 O ATOM 810 CB ARG A 51 -7.362 -9.022 0.118 1.00 0.46 C ATOM 811 CG ARG A 51 -8.054 -10.325 -0.251 1.00 0.64 C ATOM 812 CD ARG A 51 -8.551 -11.076 0.979 1.00 1.25 C ATOM 813 NE ARG A 51 -7.519 -11.210 2.010 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.521 -12.098 1.967 1.00 2.29 C ATOM 815 NH1 ARG A 51 -6.434 -12.965 0.966 1.00 2.62 N ATOM 816 NH2 ARG A 51 -5.625 -12.137 2.942 1.00 3.10 N ATOM 0 H ARG A 51 -6.399 -6.667 0.287 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.181 -8.011 -1.608 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.306 -9.098 -0.140 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.417 -8.887 1.198 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -8.895 -10.114 -0.912 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.363 -10.958 -0.807 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -9.411 -10.553 1.397 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -8.894 -12.067 0.682 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.565 -10.584 2.814 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.132 -12.957 0.222 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -5.669 -13.639 0.941 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.696 -11.489 3.726 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -4.864 -12.815 2.908 1.00 3.10 H new ATOM 830 N PRO A 52 -10.397 -7.566 -0.531 1.00 0.32 N ATOM 831 CA PRO A 52 -11.696 -7.409 0.117 1.00 0.38 C ATOM 832 C PRO A 52 -11.898 -8.486 1.179 1.00 0.44 C ATOM 833 O PRO A 52 -11.565 -9.648 0.955 1.00 0.51 O ATOM 834 CB PRO A 52 -12.715 -7.599 -1.017 1.00 0.52 C ATOM 835 CG PRO A 52 -11.926 -7.642 -2.284 1.00 0.65 C ATOM 836 CD PRO A 52 -10.524 -8.035 -1.913 1.00 0.45 C ATOM 0 HA PRO A 52 -11.793 -6.445 0.617 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.282 -8.520 -0.880 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.435 -6.781 -1.034 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.356 -8.360 -2.982 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -11.937 -6.671 -2.778 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.375 -9.112 -1.987 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.788 -7.566 -2.566 1.00 0.45 H new ATOM 844 N LEU A 53 -12.411 -8.104 2.340 1.00 0.50 N ATOM 845 CA LEU A 53 -12.594 -9.049 3.442 1.00 0.65 C ATOM 846 C LEU A 53 -13.637 -10.119 3.104 1.00 0.81 C ATOM 847 O LEU A 53 -13.798 -11.096 3.833 1.00 1.22 O ATOM 848 CB LEU A 53 -13.004 -8.307 4.716 1.00 0.70 C ATOM 849 CG LEU A 53 -11.922 -8.211 5.796 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.598 -9.586 6.358 1.00 1.32 C ATOM 851 CD2 LEU A 53 -10.667 -7.553 5.242 1.00 1.40 C ATOM 0 H LEU A 53 -12.708 -7.150 2.547 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.640 -9.550 3.606 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.314 -7.298 4.445 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.876 -8.804 5.142 1.00 0.70 H new ATOM 0 HG LEU A 53 -12.306 -7.592 6.606 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -10.827 -9.494 7.123 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -12.496 -10.020 6.798 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.238 -10.231 5.556 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -9.911 -7.494 6.025 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -10.283 -8.144 4.410 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -10.907 -6.548 4.893 1.00 1.40 H new ATOM 863 N ILE A 54 -14.332 -9.930 1.990 1.00 0.85 N ATOM 864 CA ILE A 54 -15.355 -10.872 1.551 1.00 1.01 C ATOM 865 C ILE A 54 -14.920 -11.629 0.301 1.00 1.08 C ATOM 866 O ILE A 54 -15.662 -12.463 -0.215 1.00 1.34 O ATOM 867 CB ILE A 54 -16.678 -10.152 1.238 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.401 -8.852 0.477 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.453 -9.882 2.516 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.471 -8.496 -0.530 1.00 1.46 C ATOM 0 H ILE A 54 -14.206 -9.129 1.371 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.499 -11.574 2.372 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.290 -10.796 0.606 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.303 -8.036 1.193 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.445 -8.940 -0.038 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.386 -9.372 2.275 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.674 -10.826 3.014 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.857 -9.254 3.177 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.205 -7.564 -1.029 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.554 -9.292 -1.269 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.426 -8.375 -0.019 1.00 1.46 H new ATOM 882 N LEU A 55 -13.747 -11.301 -0.218 1.00 0.95 N ATOM 883 CA LEU A 55 -13.268 -11.922 -1.442 1.00 1.10 C ATOM 884 C LEU A 55 -11.774 -12.177 -1.369 1.00 1.12 C ATOM 885 O LEU A 55 -10.976 -11.243 -1.300 1.00 1.51 O ATOM 886 CB LEU A 55 -13.592 -11.048 -2.653 1.00 1.25 C ATOM 887 CG LEU A 55 -14.839 -11.465 -3.430 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.701 -10.255 -3.745 1.00 1.69 C ATOM 889 CD2 LEU A 55 -14.453 -12.192 -4.708 1.00 2.11 C ATOM 0 H LEU A 55 -13.113 -10.612 0.187 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.778 -12.879 -1.554 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.718 -10.019 -2.317 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.738 -11.060 -3.331 1.00 1.25 H new ATOM 0 HG LEU A 55 -15.419 -12.147 -2.808 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.585 -10.572 -4.299 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -16.008 -9.775 -2.816 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.130 -9.548 -4.347 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -15.354 -12.481 -5.248 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.851 -11.533 -5.334 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.877 -13.083 -4.460 1.00 2.11 H new ATOM 901 N ASP A 56 -11.408 -13.445 -1.375 1.00 1.38 N ATOM 902 CA ASP A 56 -10.011 -13.847 -1.283 1.00 1.54 C ATOM 903 C ASP A 56 -9.282 -13.613 -2.602 1.00 1.19 C ATOM 904 O ASP A 56 -8.951 -14.555 -3.325 1.00 1.44 O ATOM 905 CB ASP A 56 -9.900 -15.319 -0.884 1.00 2.08 C ATOM 906 CG ASP A 56 -8.579 -15.634 -0.211 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.549 -15.037 -0.592 1.00 2.90 O ATOM 908 OD2 ASP A 56 -8.563 -16.481 0.708 1.00 2.89 O ATOM 0 H ASP A 56 -12.064 -14.223 -1.443 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.541 -13.233 -0.515 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -10.718 -15.573 -0.210 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -10.011 -15.943 -1.771 1.00 2.08 H new ATOM 913 N GLN A 57 -9.069 -12.351 -2.928 1.00 0.83 N ATOM 914 CA GLN A 57 -8.363 -11.982 -4.144 1.00 0.93 C ATOM 915 C GLN A 57 -7.316 -10.911 -3.845 1.00 0.79 C ATOM 916 O GLN A 57 -7.650 -9.774 -3.509 1.00 0.82 O ATOM 917 CB GLN A 57 -9.345 -11.493 -5.216 1.00 1.30 C ATOM 918 CG GLN A 57 -10.391 -10.516 -4.701 1.00 1.81 C ATOM 919 CD GLN A 57 -11.195 -9.865 -5.812 1.00 2.19 C ATOM 920 OE1 GLN A 57 -12.383 -9.595 -5.651 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.562 -9.610 -6.948 1.00 2.43 N ATOM 0 H GLN A 57 -9.377 -11.559 -2.364 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.855 -12.866 -4.529 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -8.782 -11.016 -6.019 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.851 -12.355 -5.650 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -11.070 -11.041 -4.029 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -9.898 -9.740 -4.115 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -9.575 -9.848 -7.046 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -11.062 -9.176 -7.724 1.00 2.43 H new ATOM 930 N TRP A 58 -6.050 -11.290 -3.936 1.00 0.73 N ATOM 931 CA TRP A 58 -4.957 -10.382 -3.685 1.00 0.63 C ATOM 932 C TRP A 58 -4.663 -9.570 -4.930 1.00 0.67 C ATOM 933 O TRP A 58 -4.572 -10.112 -6.032 1.00 0.76 O ATOM 934 CB TRP A 58 -3.715 -11.159 -3.254 1.00 0.71 C ATOM 935 CG TRP A 58 -3.550 -11.216 -1.773 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.217 -12.302 -1.021 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.710 -10.130 -0.867 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.161 -11.950 0.306 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.458 -10.619 0.424 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.044 -8.790 -1.027 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.525 -9.805 1.550 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.109 -7.985 0.085 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.853 -8.490 1.357 1.00 0.49 C ATOM 0 H TRP A 58 -5.759 -12.235 -4.186 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.239 -9.703 -2.880 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.773 -12.174 -3.647 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.832 -10.696 -3.695 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.026 -13.291 -1.410 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -2.935 -12.578 1.077 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.249 -8.388 -2.008 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.326 -10.195 2.537 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.363 -6.942 -0.030 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.915 -7.830 2.210 1.00 0.49 H new ATOM 954 N GLN A 59 -4.577 -8.269 -4.760 1.00 0.70 N ATOM 955 CA GLN A 59 -4.363 -7.373 -5.877 1.00 0.79 C ATOM 956 C GLN A 59 -2.888 -7.023 -5.988 1.00 0.95 C ATOM 957 O GLN A 59 -2.162 -7.083 -5.002 1.00 1.64 O ATOM 958 CB GLN A 59 -5.215 -6.125 -5.687 1.00 1.06 C ATOM 959 CG GLN A 59 -6.457 -6.094 -6.565 1.00 1.36 C ATOM 960 CD GLN A 59 -7.410 -7.236 -6.268 1.00 1.68 C ATOM 961 OE1 GLN A 59 -7.698 -8.058 -7.133 1.00 2.39 O ATOM 962 NE2 GLN A 59 -7.916 -7.292 -5.045 1.00 2.14 N ATOM 0 H GLN A 59 -4.652 -7.805 -3.855 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.660 -7.859 -6.806 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.518 -6.058 -4.642 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -4.608 -5.245 -5.900 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.976 -5.146 -6.421 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -6.158 -6.138 -7.612 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.654 -6.591 -4.352 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -8.568 -8.036 -4.796 1.00 2.14 H new ATOM 971 N HIS A 60 -2.421 -6.780 -7.199 1.00 0.80 N ATOM 972 CA HIS A 60 -1.001 -6.562 -7.426 1.00 1.11 C ATOM 973 C HIS A 60 -0.730 -5.172 -7.991 1.00 0.88 C ATOM 974 O HIS A 60 -0.932 -4.923 -9.179 1.00 1.12 O ATOM 975 CB HIS A 60 -0.450 -7.631 -8.372 1.00 1.75 C ATOM 976 CG HIS A 60 1.042 -7.635 -8.465 1.00 1.87 C ATOM 977 ND1 HIS A 60 1.719 -7.584 -9.664 1.00 2.49 N ATOM 978 CD2 HIS A 60 1.990 -7.666 -7.501 1.00 2.11 C ATOM 979 CE1 HIS A 60 3.017 -7.583 -9.433 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.207 -7.631 -8.129 1.00 2.58 N ATOM 0 H HIS A 60 -2.999 -6.728 -8.038 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.494 -6.635 -6.464 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -0.788 -8.611 -8.035 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.867 -7.474 -9.367 1.00 1.75 H new ATOM 0 HD2 HIS A 60 1.820 -7.710 -6.435 1.00 2.11 H new ATOM 0 HE1 HIS A 60 3.793 -7.549 -10.184 1.00 2.81 H new ATOM 0 HE2 HIS A 60 4.114 -7.641 -7.663 1.00 2.58 H new ATOM 989 N VAL A 61 -0.230 -4.288 -7.141 1.00 0.60 N ATOM 990 CA VAL A 61 0.134 -2.939 -7.554 1.00 0.59 C ATOM 991 C VAL A 61 1.574 -2.635 -7.157 1.00 0.51 C ATOM 992 O VAL A 61 1.944 -2.782 -5.994 1.00 0.55 O ATOM 993 CB VAL A 61 -0.794 -1.878 -6.919 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.476 -0.487 -7.448 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.255 -2.219 -7.166 1.00 1.48 C ATOM 0 H VAL A 61 -0.066 -4.482 -6.153 1.00 0.60 H new ATOM 0 HA VAL A 61 0.027 -2.893 -8.638 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.617 -1.882 -5.843 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.143 0.240 -6.985 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.557 -0.234 -7.209 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.614 -0.469 -8.529 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.888 -1.458 -6.710 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.444 -2.253 -8.239 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.481 -3.191 -6.727 1.00 1.48 H new ATOM 1005 N GLU A 62 2.373 -2.188 -8.113 1.00 0.81 N ATOM 1006 CA GLU A 62 3.749 -1.813 -7.835 1.00 1.05 C ATOM 1007 C GLU A 62 3.912 -0.296 -7.943 1.00 0.71 C ATOM 1008 O GLU A 62 3.387 0.341 -8.861 1.00 0.80 O ATOM 1009 CB GLU A 62 4.717 -2.563 -8.770 1.00 1.61 C ATOM 1010 CG GLU A 62 5.300 -1.723 -9.902 1.00 2.42 C ATOM 1011 CD GLU A 62 6.817 -1.666 -9.875 1.00 3.17 C ATOM 1012 OE1 GLU A 62 7.469 -2.734 -9.946 1.00 3.60 O ATOM 1013 OE2 GLU A 62 7.371 -0.551 -9.799 1.00 3.63 O ATOM 0 H GLU A 62 2.092 -2.076 -9.087 1.00 0.81 H new ATOM 0 HA GLU A 62 3.998 -2.103 -6.814 1.00 1.05 H new ATOM 0 HB2 GLU A 62 5.538 -2.962 -8.174 1.00 1.61 H new ATOM 0 HB3 GLU A 62 4.193 -3.415 -9.203 1.00 1.61 H new ATOM 0 HG2 GLU A 62 4.974 -2.134 -10.858 1.00 2.42 H new ATOM 0 HG3 GLU A 62 4.902 -0.710 -9.838 1.00 2.42 H new ATOM 1020 N LEU A 63 4.549 0.284 -6.943 1.00 0.61 N ATOM 1021 CA LEU A 63 4.734 1.723 -6.880 1.00 0.71 C ATOM 1022 C LEU A 63 6.211 2.045 -6.732 1.00 0.75 C ATOM 1023 O LEU A 63 6.735 2.111 -5.622 1.00 0.94 O ATOM 1024 CB LEU A 63 3.943 2.317 -5.712 1.00 0.97 C ATOM 1025 CG LEU A 63 2.476 1.891 -5.639 1.00 0.92 C ATOM 1026 CD1 LEU A 63 2.241 0.993 -4.432 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.570 3.111 -5.582 1.00 1.18 C ATOM 0 H LEU A 63 4.951 -0.225 -6.156 1.00 0.61 H new ATOM 0 HA LEU A 63 4.363 2.165 -7.804 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.434 2.035 -4.780 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.987 3.404 -5.779 1.00 0.97 H new ATOM 0 HG LEU A 63 2.235 1.326 -6.539 1.00 0.92 H new ATOM 0 HD11 LEU A 63 1.192 0.699 -4.396 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.864 0.103 -4.514 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.498 1.533 -3.521 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.530 2.790 -5.530 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.811 3.702 -4.699 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.719 3.717 -6.476 1.00 1.18 H new ATOM 1039 N SER A 64 6.889 2.174 -7.860 1.00 0.78 N ATOM 1040 CA SER A 64 8.324 2.415 -7.873 1.00 0.89 C ATOM 1041 C SER A 64 8.674 3.741 -7.199 1.00 0.82 C ATOM 1042 O SER A 64 9.737 3.876 -6.589 1.00 1.57 O ATOM 1043 CB SER A 64 8.818 2.396 -9.315 1.00 1.13 C ATOM 1044 OG SER A 64 7.773 2.006 -10.195 1.00 1.36 O ATOM 0 H SER A 64 6.466 2.115 -8.786 1.00 0.78 H new ATOM 0 HA SER A 64 8.819 1.627 -7.306 1.00 0.89 H new ATOM 0 HB2 SER A 64 9.185 3.384 -9.593 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.657 1.706 -9.409 1.00 1.13 H new ATOM 0 HG SER A 64 7.799 1.035 -10.323 1.00 1.36 H new ATOM 1050 N ASN A 65 7.771 4.706 -7.289 1.00 1.03 N ATOM 1051 CA ASN A 65 7.974 6.004 -6.665 1.00 0.94 C ATOM 1052 C ASN A 65 6.639 6.594 -6.236 1.00 0.82 C ATOM 1053 O ASN A 65 6.296 7.722 -6.593 1.00 1.16 O ATOM 1054 CB ASN A 65 8.695 6.957 -7.625 1.00 1.03 C ATOM 1055 CG ASN A 65 10.030 7.421 -7.074 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.416 8.578 -7.235 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.746 6.518 -6.421 1.00 1.97 N ATOM 0 H ASN A 65 6.887 4.614 -7.790 1.00 1.03 H new ATOM 0 HA ASN A 65 8.599 5.870 -5.782 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.852 6.457 -8.581 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.062 7.823 -7.818 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.653 6.772 -6.030 1.00 1.97 H new ATOM 0 HD22 ASN A 65 10.390 5.569 -6.309 1.00 1.97 H new ATOM 1064 N GLY A 66 5.869 5.806 -5.503 1.00 0.69 N ATOM 1065 CA GLY A 66 4.561 6.250 -5.071 1.00 0.66 C ATOM 1066 C GLY A 66 4.473 6.415 -3.571 1.00 0.61 C ATOM 1067 O GLY A 66 5.030 5.614 -2.818 1.00 0.87 O ATOM 0 H GLY A 66 6.126 4.867 -5.199 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.326 7.199 -5.552 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.810 5.531 -5.399 1.00 0.66 H new ATOM 1071 N THR A 67 3.797 7.468 -3.139 1.00 0.40 N ATOM 1072 CA THR A 67 3.634 7.752 -1.721 1.00 0.41 C ATOM 1073 C THR A 67 2.189 8.140 -1.404 1.00 0.36 C ATOM 1074 O THR A 67 1.775 8.154 -0.243 1.00 0.39 O ATOM 1075 CB THR A 67 4.583 8.880 -1.268 1.00 0.57 C ATOM 1076 OG1 THR A 67 5.389 9.320 -2.373 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.484 8.404 -0.141 1.00 0.70 C ATOM 0 H THR A 67 3.349 8.146 -3.756 1.00 0.40 H new ATOM 0 HA THR A 67 3.884 6.842 -1.176 1.00 0.41 H new ATOM 0 HB THR A 67 3.977 9.711 -0.907 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.987 10.037 -2.076 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.145 9.215 0.163 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.873 8.096 0.708 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.081 7.559 -0.484 1.00 0.70 H new ATOM 1085 N ALA A 68 1.418 8.424 -2.447 1.00 0.44 N ATOM 1086 CA ALA A 68 0.018 8.789 -2.291 1.00 0.47 C ATOM 1087 C ALA A 68 -0.828 8.104 -3.357 1.00 0.47 C ATOM 1088 O ALA A 68 -1.059 8.656 -4.433 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.147 10.302 -2.363 1.00 0.59 C ATOM 0 H ALA A 68 1.742 8.408 -3.414 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.324 8.454 -1.312 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.200 10.559 -2.245 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.433 10.769 -1.567 1.00 0.59 H new ATOM 0 HB3 ALA A 68 0.208 10.661 -3.329 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.251 6.883 -3.071 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.059 6.117 -4.005 1.00 0.45 C ATOM 1097 C HIS A 69 -3.542 6.350 -3.756 1.00 0.40 C ATOM 1098 O HIS A 69 -3.946 6.771 -2.675 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.738 4.624 -3.895 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.094 3.843 -5.124 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.686 4.206 -6.387 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.835 2.721 -5.280 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.160 3.345 -7.268 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.862 2.432 -6.621 1.00 0.75 N ATOM 0 H HIS A 69 -1.047 6.400 -2.196 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.819 6.456 -5.013 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.674 4.503 -3.693 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.273 4.207 -3.042 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.316 2.157 -4.494 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.001 3.381 -8.336 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.345 1.642 -7.048 1.00 0.75 H new ATOM 1113 N THR A 70 -4.351 6.022 -4.745 1.00 0.41 N ATOM 1114 CA THR A 70 -5.790 6.140 -4.637 1.00 0.44 C ATOM 1115 C THR A 70 -6.461 4.982 -5.358 1.00 0.47 C ATOM 1116 O THR A 70 -5.989 4.542 -6.405 1.00 0.72 O ATOM 1117 CB THR A 70 -6.290 7.468 -5.232 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.203 8.167 -5.862 1.00 0.94 O ATOM 1119 CG2 THR A 70 -6.901 8.338 -4.147 1.00 0.84 C ATOM 0 H THR A 70 -4.028 5.667 -5.645 1.00 0.41 H new ATOM 0 HA THR A 70 -6.048 6.118 -3.578 1.00 0.44 H new ATOM 0 HB THR A 70 -7.054 7.248 -5.978 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.531 9.010 -6.239 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.250 9.274 -4.584 1.00 0.84 H new ATOM 0 HG22 THR A 70 -7.742 7.815 -3.691 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.151 8.551 -3.386 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.515 4.442 -4.768 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.209 3.309 -5.362 1.00 0.44 C ATOM 1129 C ILE A 71 -9.716 3.459 -5.231 1.00 0.34 C ATOM 1130 O ILE A 71 -10.237 3.574 -4.127 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.799 1.964 -4.724 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -7.229 2.169 -3.318 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.797 1.238 -5.607 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -7.447 0.985 -2.402 1.00 0.70 C ATOM 0 H ILE A 71 -7.907 4.767 -3.884 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.921 3.302 -6.413 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.694 1.348 -4.636 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -6.160 2.369 -3.393 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.688 3.052 -2.873 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.520 0.292 -5.141 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.244 1.045 -6.582 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.908 1.856 -5.732 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -7.018 1.199 -1.423 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -8.516 0.798 -2.297 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.964 0.104 -2.825 1.00 0.70 H new ATOM 1146 N THR A 72 -10.414 3.327 -6.343 1.00 0.37 N ATOM 1147 CA THR A 72 -11.867 3.321 -6.335 1.00 0.33 C ATOM 1148 C THR A 72 -12.367 1.894 -6.560 1.00 0.31 C ATOM 1149 O THR A 72 -13.523 1.657 -6.907 1.00 0.33 O ATOM 1150 CB THR A 72 -12.449 4.284 -7.401 1.00 0.43 C ATOM 1151 OG1 THR A 72 -13.880 4.232 -7.400 1.00 1.33 O ATOM 1152 CG2 THR A 72 -11.929 3.953 -8.791 1.00 1.22 C ATOM 0 H THR A 72 -9.997 3.222 -7.268 1.00 0.37 H new ATOM 0 HA THR A 72 -12.211 3.677 -5.364 1.00 0.33 H new ATOM 0 HB THR A 72 -12.125 5.292 -7.141 1.00 0.43 H new ATOM 0 HG1 THR A 72 -14.174 3.307 -7.533 1.00 1.33 H new ATOM 0 HG21 THR A 72 -12.357 4.647 -9.514 1.00 1.22 H new ATOM 0 HG22 THR A 72 -10.843 4.040 -8.803 1.00 1.22 H new ATOM 0 HG23 THR A 72 -12.214 2.934 -9.053 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.477 0.947 -6.305 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.789 -0.473 -6.422 1.00 0.40 C ATOM 1162 C ASP A 73 -12.197 -1.038 -5.073 1.00 0.39 C ATOM 1163 O ASP A 73 -12.250 -2.252 -4.890 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.578 -1.245 -6.952 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.584 -1.383 -8.460 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -10.104 -0.464 -9.153 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -11.087 -2.408 -8.963 1.00 1.31 O ATOM 0 H ASP A 73 -10.519 1.139 -6.011 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.617 -0.582 -7.122 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.665 -0.737 -6.642 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.560 -2.237 -6.501 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.280 -0.163 -4.085 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.449 -0.597 -2.712 1.00 0.33 C ATOM 1174 C ALA A 74 -13.914 -0.774 -2.353 1.00 0.35 C ATOM 1175 O ALA A 74 -14.786 -0.087 -2.882 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.775 0.387 -1.776 1.00 0.36 C ATOM 0 H ALA A 74 -12.233 0.848 -4.209 1.00 0.31 H new ATOM 0 HA ALA A 74 -11.976 -1.573 -2.603 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.905 0.056 -0.746 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.711 0.440 -2.009 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.223 1.373 -1.900 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.176 -1.727 -1.471 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.531 -2.028 -1.036 1.00 0.52 C ATOM 1184 C TYR A 75 -15.891 -1.222 0.206 1.00 0.46 C ATOM 1185 O TYR A 75 -15.437 -1.536 1.301 1.00 0.55 O ATOM 1186 CB TYR A 75 -15.665 -3.525 -0.741 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.891 -4.164 -1.349 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -16.989 -4.359 -2.723 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -17.954 -4.567 -0.552 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -18.110 -4.939 -3.282 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -19.080 -5.147 -1.104 1.00 2.26 C ATOM 1192 CZ TYR A 75 -19.154 -5.332 -2.469 1.00 2.21 C ATOM 1193 OH TYR A 75 -20.275 -5.907 -3.023 1.00 2.86 O ATOM 0 H TYR A 75 -13.459 -2.310 -1.039 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.218 -1.755 -1.837 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -14.778 -4.039 -1.112 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -15.689 -3.671 0.339 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -16.175 -4.052 -3.363 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -17.900 -4.425 0.517 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -18.170 -5.085 -4.350 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -19.898 -5.454 -0.470 1.00 2.26 H new ATOM 0 HH TYR A 75 -20.915 -6.126 -2.314 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.683 -0.173 0.025 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.104 0.682 1.134 1.00 0.57 C ATOM 1205 C ALA A 76 -18.043 -0.051 2.085 1.00 0.50 C ATOM 1206 O ALA A 76 -18.234 0.363 3.232 1.00 0.63 O ATOM 1207 CB ALA A 76 -17.784 1.931 0.603 1.00 0.74 C ATOM 0 H ALA A 76 -17.050 0.110 -0.884 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.210 0.962 1.692 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.093 2.560 1.438 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -17.089 2.483 -0.029 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -18.659 1.648 0.018 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.671 -1.104 1.584 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.624 -1.851 2.379 1.00 0.55 C ATOM 1215 C GLY A 77 -18.966 -2.926 3.218 1.00 0.48 C ATOM 1216 O GLY A 77 -19.638 -3.631 3.974 1.00 0.58 O ATOM 0 H GLY A 77 -18.537 -1.456 0.636 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.164 -1.165 3.032 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.361 -2.310 1.720 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.648 -3.042 3.104 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.896 -4.035 3.858 1.00 0.49 C ATOM 1222 C LYS A 78 -15.485 -3.534 4.147 1.00 0.43 C ATOM 1223 O LYS A 78 -15.141 -2.400 3.825 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.835 -5.353 3.081 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.616 -6.483 3.733 1.00 0.98 C ATOM 1226 CD LYS A 78 -18.964 -6.686 3.061 1.00 1.62 C ATOM 1227 CE LYS A 78 -20.023 -7.128 4.058 1.00 1.93 C ATOM 1228 NZ LYS A 78 -21.275 -7.567 3.386 1.00 2.32 N ATOM 0 H LYS A 78 -17.077 -2.457 2.494 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.405 -4.205 4.807 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.221 -5.190 2.075 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.793 -5.656 2.977 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -17.038 -7.406 3.678 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.764 -6.262 4.790 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.277 -5.757 2.584 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.870 -7.433 2.273 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -19.631 -7.945 4.664 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -20.246 -6.306 4.738 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.969 -7.860 4.103 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -21.664 -6.780 2.828 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.068 -8.369 2.757 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.668 -4.385 4.739 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.297 -4.030 5.041 1.00 0.43 C ATOM 1244 C GLU A 79 -12.377 -4.395 3.884 1.00 0.37 C ATOM 1245 O GLU A 79 -12.606 -5.379 3.172 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.834 -4.737 6.309 1.00 0.59 C ATOM 1247 CG GLU A 79 -11.981 -3.866 7.209 1.00 1.13 C ATOM 1248 CD GLU A 79 -12.447 -3.895 8.645 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -12.449 -4.986 9.249 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -12.810 -2.826 9.177 1.00 2.05 O ATOM 0 H GLU A 79 -14.932 -5.329 5.020 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.253 -2.952 5.196 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.707 -5.076 6.866 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.267 -5.626 6.033 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -10.945 -4.201 7.159 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -12.002 -2.839 6.843 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.322 -3.618 3.730 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.316 -3.864 2.717 1.00 0.38 C ATOM 1259 C TYR A 80 -8.946 -3.944 3.372 1.00 0.41 C ATOM 1260 O TYR A 80 -8.499 -2.982 3.998 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.329 -2.740 1.679 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.646 -3.204 0.277 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -11.863 -3.801 -0.013 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.728 -3.052 -0.752 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.160 -4.230 -1.291 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.018 -3.479 -2.032 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.222 -4.047 -2.306 1.00 0.66 C ATOM 1268 OH TYR A 80 -11.528 -4.495 -3.571 1.00 0.85 O ATOM 0 H TYR A 80 -11.139 -2.796 4.306 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.535 -4.807 2.217 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -11.063 -1.991 1.978 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.356 -2.249 1.677 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.591 -3.933 0.774 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.772 -2.593 -0.548 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.108 -4.702 -1.502 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.286 -3.362 -2.818 1.00 0.64 H new ATOM 0 HH TYR A 80 -11.881 -3.753 -4.104 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.284 -5.084 3.247 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.955 -5.234 3.814 1.00 0.33 C ATOM 1280 C ILE A 81 -5.902 -4.869 2.776 1.00 0.29 C ATOM 1281 O ILE A 81 -5.656 -5.609 1.819 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.694 -6.658 4.375 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.207 -6.835 4.708 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.158 -7.731 3.401 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.845 -8.221 5.196 1.00 1.11 C ATOM 0 H ILE A 81 -8.640 -5.909 2.764 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.889 -4.550 4.660 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.274 -6.771 5.291 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.617 -6.608 3.820 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.927 -6.108 5.471 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.961 -8.716 3.824 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.227 -7.621 3.221 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.619 -7.626 2.460 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.777 -8.264 5.410 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.406 -8.445 6.103 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.091 -8.953 4.427 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.339 -3.685 2.931 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.336 -3.191 2.014 1.00 0.30 C ATOM 1299 C ILE A 82 -2.955 -3.400 2.608 1.00 0.32 C ATOM 1300 O ILE A 82 -2.453 -2.560 3.353 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.538 -1.696 1.690 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -6.032 -1.361 1.615 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.843 -1.344 0.382 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.317 0.105 1.379 1.00 0.64 C ATOM 0 H ILE A 82 -5.564 -3.044 3.692 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.433 -3.750 1.083 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.095 -1.102 2.489 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.486 -1.944 0.813 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.511 -1.670 2.544 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.992 -0.287 0.164 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.776 -1.549 0.470 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -4.262 -1.944 -0.426 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.395 0.264 1.338 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -5.894 0.694 2.193 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.868 0.416 0.436 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.370 -4.550 2.326 1.00 0.31 N ATOM 1317 CA GLN A 83 -1.056 -4.872 2.847 1.00 0.34 C ATOM 1318 C GLN A 83 0.018 -4.237 1.982 1.00 0.29 C ATOM 1319 O GLN A 83 -0.001 -4.355 0.755 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.846 -6.382 2.934 1.00 0.44 C ATOM 1321 CG GLN A 83 0.313 -6.769 3.836 1.00 0.60 C ATOM 1322 CD GLN A 83 0.010 -7.973 4.703 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.513 -8.979 4.226 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.348 -7.886 5.981 1.00 0.64 N ATOM 0 H GLN A 83 -2.784 -5.275 1.740 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.985 -4.468 3.857 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.759 -6.849 3.304 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.668 -6.777 1.934 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.189 -6.981 3.223 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.568 -5.923 4.474 1.00 0.60 H new ATOM 0 HE21 GLN A 83 0.780 -7.033 6.337 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.176 -8.672 6.609 1.00 0.64 H new ATOM 1333 N VAL A 84 0.881 -3.474 2.623 1.00 0.28 N ATOM 1334 CA VAL A 84 1.903 -2.719 1.928 1.00 0.28 C ATOM 1335 C VAL A 84 3.290 -3.272 2.244 1.00 0.28 C ATOM 1336 O VAL A 84 3.623 -3.521 3.408 1.00 0.32 O ATOM 1337 CB VAL A 84 1.836 -1.227 2.319 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.733 -0.386 1.425 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.400 -0.721 2.262 1.00 0.51 C ATOM 0 H VAL A 84 0.893 -3.360 3.637 1.00 0.28 H new ATOM 0 HA VAL A 84 1.721 -2.813 0.857 1.00 0.28 H new ATOM 0 HB VAL A 84 2.196 -1.132 3.343 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.666 0.660 1.723 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.764 -0.725 1.522 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.413 -0.489 0.388 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.374 0.332 2.541 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.013 -0.838 1.250 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.216 -1.295 2.954 1.00 0.51 H new ATOM 1349 N ALA A 85 4.093 -3.444 1.202 1.00 0.31 N ATOM 1350 CA ALA A 85 5.464 -3.912 1.337 1.00 0.36 C ATOM 1351 C ALA A 85 6.385 -3.017 0.519 1.00 0.30 C ATOM 1352 O ALA A 85 5.916 -2.092 -0.145 1.00 0.37 O ATOM 1353 CB ALA A 85 5.582 -5.361 0.890 1.00 0.49 C ATOM 0 H ALA A 85 3.811 -3.262 0.239 1.00 0.31 H new ATOM 0 HA ALA A 85 5.759 -3.863 2.385 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.615 -5.692 0.999 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.934 -5.985 1.505 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.282 -5.445 -0.154 1.00 0.49 H new ATOM 1359 N ALA A 86 7.689 -3.261 0.593 1.00 0.35 N ATOM 1360 CA ALA A 86 8.659 -2.435 -0.114 1.00 0.45 C ATOM 1361 C ALA A 86 10.003 -3.141 -0.238 1.00 0.40 C ATOM 1362 O ALA A 86 10.298 -4.076 0.510 1.00 0.55 O ATOM 1363 CB ALA A 86 8.831 -1.100 0.596 1.00 0.70 C ATOM 0 H ALA A 86 8.097 -4.023 1.135 1.00 0.35 H new ATOM 0 HA ALA A 86 8.278 -2.258 -1.120 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.558 -0.493 0.057 1.00 0.70 H new ATOM 0 HB2 ALA A 86 7.874 -0.578 0.627 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.184 -1.272 1.613 1.00 0.70 H new ATOM 1369 N LYS A 87 10.813 -2.676 -1.180 1.00 0.46 N ATOM 1370 CA LYS A 87 12.138 -3.235 -1.420 1.00 0.49 C ATOM 1371 C LYS A 87 12.984 -2.245 -2.216 1.00 0.61 C ATOM 1372 O LYS A 87 12.545 -1.737 -3.246 1.00 0.80 O ATOM 1373 CB LYS A 87 12.026 -4.565 -2.178 1.00 0.62 C ATOM 1374 CG LYS A 87 13.344 -5.070 -2.747 1.00 0.69 C ATOM 1375 CD LYS A 87 13.166 -5.625 -4.152 1.00 0.91 C ATOM 1376 CE LYS A 87 13.805 -4.723 -5.195 1.00 1.08 C ATOM 1377 NZ LYS A 87 14.644 -5.489 -6.154 1.00 1.33 N ATOM 0 H LYS A 87 10.571 -1.902 -1.799 1.00 0.46 H new ATOM 0 HA LYS A 87 12.620 -3.422 -0.460 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.620 -5.321 -1.506 1.00 0.62 H new ATOM 0 HB3 LYS A 87 11.312 -4.447 -2.993 1.00 0.62 H new ATOM 0 HG2 LYS A 87 14.070 -4.257 -2.765 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.750 -5.845 -2.097 1.00 0.69 H new ATOM 0 HD2 LYS A 87 13.609 -6.619 -4.210 1.00 0.91 H new ATOM 0 HD3 LYS A 87 12.103 -5.736 -4.368 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.026 -4.190 -5.740 1.00 1.08 H new ATOM 0 HE3 LYS A 87 14.417 -3.971 -4.698 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 15.061 -4.837 -6.848 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 15.403 -5.977 -5.638 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 14.055 -6.190 -6.648 1.00 1.33 H new ATOM 1391 N ASP A 88 14.184 -1.955 -1.726 1.00 0.67 N ATOM 1392 CA ASP A 88 15.083 -1.028 -2.412 1.00 0.81 C ATOM 1393 C ASP A 88 15.551 -1.639 -3.727 1.00 0.90 C ATOM 1394 O ASP A 88 15.859 -2.825 -3.790 1.00 1.00 O ATOM 1395 CB ASP A 88 16.283 -0.685 -1.526 1.00 0.96 C ATOM 1396 CG ASP A 88 17.460 -0.129 -2.313 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.534 1.095 -2.506 1.00 1.53 O ATOM 1398 OD2 ASP A 88 18.332 -0.922 -2.718 1.00 1.42 O ATOM 0 H ASP A 88 14.558 -2.345 -0.861 1.00 0.67 H new ATOM 0 HA ASP A 88 14.541 -0.106 -2.622 1.00 0.81 H new ATOM 0 HB2 ASP A 88 15.977 0.044 -0.775 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.601 -1.580 -0.991 1.00 0.96 H new ATOM 1403 N ASN A 89 15.447 -0.877 -4.799 1.00 1.00 N ATOM 1404 CA ASN A 89 15.702 -1.413 -6.129 1.00 1.17 C ATOM 1405 C ASN A 89 17.161 -1.251 -6.554 1.00 1.27 C ATOM 1406 O ASN A 89 17.475 -1.305 -7.743 1.00 1.46 O ATOM 1407 CB ASN A 89 14.784 -0.745 -7.153 1.00 1.30 C ATOM 1408 CG ASN A 89 14.441 -1.664 -8.312 1.00 1.53 C ATOM 1409 OD1 ASN A 89 14.699 -2.868 -8.268 1.00 1.91 O ATOM 1410 ND2 ASN A 89 13.849 -1.103 -9.356 1.00 1.75 N ATOM 0 H ASN A 89 15.189 0.110 -4.779 1.00 1.00 H new ATOM 0 HA ASN A 89 15.492 -2.482 -6.088 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.865 -0.428 -6.660 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.266 0.154 -7.537 1.00 1.30 H new ATOM 0 HD21 ASN A 89 13.590 -1.672 -10.162 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.652 -0.102 -9.354 1.00 1.75 H new ATOM 1417 N GLU A 90 18.056 -1.115 -5.590 1.00 1.29 N ATOM 1418 CA GLU A 90 19.476 -1.023 -5.893 1.00 1.46 C ATOM 1419 C GLU A 90 20.196 -2.242 -5.335 1.00 1.44 C ATOM 1420 O GLU A 90 20.781 -3.033 -6.079 1.00 1.57 O ATOM 1421 CB GLU A 90 20.064 0.259 -5.306 1.00 1.60 C ATOM 1422 CG GLU A 90 19.837 1.487 -6.170 1.00 1.82 C ATOM 1423 CD GLU A 90 20.360 1.310 -7.580 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.529 0.903 -7.739 1.00 2.17 O ATOM 1425 OE2 GLU A 90 19.600 1.569 -8.538 1.00 2.26 O ATOM 0 H GLU A 90 17.828 -1.066 -4.597 1.00 1.29 H new ATOM 0 HA GLU A 90 19.609 -0.995 -6.974 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.626 0.432 -4.323 1.00 1.60 H new ATOM 0 HB3 GLU A 90 21.135 0.122 -5.159 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.770 1.709 -6.207 1.00 1.82 H new ATOM 0 HG3 GLU A 90 20.326 2.346 -5.710 1.00 1.82 H new ATOM 1432 N ILE A 91 20.053 -2.434 -4.035 1.00 1.38 N ATOM 1433 CA ILE A 91 20.581 -3.607 -3.348 1.00 1.45 C ATOM 1434 C ILE A 91 19.617 -4.004 -2.239 1.00 1.48 C ATOM 1435 O ILE A 91 20.027 -4.331 -1.121 1.00 1.79 O ATOM 1436 CB ILE A 91 21.974 -3.365 -2.722 1.00 1.63 C ATOM 1437 CG1 ILE A 91 22.524 -1.981 -3.077 1.00 2.02 C ATOM 1438 CG2 ILE A 91 22.945 -4.448 -3.164 1.00 1.69 C ATOM 1439 CD1 ILE A 91 23.170 -1.273 -1.908 1.00 2.51 C ATOM 0 H ILE A 91 19.566 -1.780 -3.421 1.00 1.38 H new ATOM 0 HA ILE A 91 20.687 -4.395 -4.094 1.00 1.45 H new ATOM 0 HB ILE A 91 21.861 -3.406 -1.639 1.00 1.63 H new ATOM 0 HG12 ILE A 91 23.255 -2.084 -3.879 1.00 2.02 H new ATOM 0 HG13 ILE A 91 21.713 -1.364 -3.463 1.00 2.02 H new ATOM 0 HG21 ILE A 91 23.922 -4.266 -2.716 1.00 1.69 H new ATOM 0 HG22 ILE A 91 22.575 -5.422 -2.843 1.00 1.69 H new ATOM 0 HG23 ILE A 91 23.036 -4.434 -4.250 1.00 1.69 H new ATOM 0 HD11 ILE A 91 23.538 -0.299 -2.231 1.00 2.51 H new ATOM 0 HD12 ILE A 91 22.436 -1.139 -1.113 1.00 2.51 H new ATOM 0 HD13 ILE A 91 24.003 -1.870 -1.536 1.00 2.51 H new ATOM 1451 N GLY A 92 18.336 -3.812 -2.511 1.00 1.53 N ATOM 1452 CA GLY A 92 17.325 -4.000 -1.499 1.00 1.75 C ATOM 1453 C GLY A 92 16.891 -5.437 -1.353 1.00 1.30 C ATOM 1454 O GLY A 92 16.660 -6.136 -2.342 1.00 1.27 O ATOM 0 H GLY A 92 17.979 -3.527 -3.423 1.00 1.53 H new ATOM 0 HA2 GLY A 92 17.707 -3.644 -0.542 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.457 -3.388 -1.744 1.00 1.75 H new ATOM 1458 N THR A 93 16.705 -5.850 -0.116 1.00 1.16 N ATOM 1459 CA THR A 93 16.202 -7.176 0.174 1.00 0.92 C ATOM 1460 C THR A 93 14.680 -7.182 0.115 1.00 0.81 C ATOM 1461 O THR A 93 14.036 -6.187 0.459 1.00 0.82 O ATOM 1462 CB THR A 93 16.670 -7.650 1.560 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.450 -6.623 2.183 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.499 -8.918 1.444 1.00 1.62 C ATOM 0 H THR A 93 16.896 -5.282 0.709 1.00 1.16 H new ATOM 0 HA THR A 93 16.596 -7.861 -0.577 1.00 0.92 H new ATOM 0 HB THR A 93 15.790 -7.863 2.167 1.00 1.19 H new ATOM 0 HG1 THR A 93 16.908 -6.166 2.859 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.819 -9.235 2.436 1.00 1.62 H new ATOM 0 HG22 THR A 93 16.898 -9.705 0.988 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.375 -8.725 0.825 1.00 1.62 H new ATOM 1472 N TRP A 94 14.114 -8.260 -0.407 1.00 0.78 N ATOM 1473 CA TRP A 94 12.672 -8.361 -0.566 1.00 0.75 C ATOM 1474 C TRP A 94 11.998 -8.581 0.784 1.00 0.74 C ATOM 1475 O TRP A 94 12.024 -9.685 1.331 1.00 0.89 O ATOM 1476 CB TRP A 94 12.318 -9.503 -1.521 1.00 0.82 C ATOM 1477 CG TRP A 94 11.501 -9.072 -2.700 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.930 -8.931 -3.990 1.00 0.93 C ATOM 1479 CD2 TRP A 94 10.110 -8.734 -2.703 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.891 -8.523 -4.790 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.763 -8.398 -4.024 1.00 1.19 C ATOM 1482 CE3 TRP A 94 9.122 -8.685 -1.716 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 8.474 -8.017 -4.381 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.843 -8.306 -2.072 1.00 1.55 C ATOM 1485 CH2 TRP A 94 7.528 -7.979 -3.396 1.00 1.63 C ATOM 0 H TRP A 94 14.632 -9.078 -0.728 1.00 0.78 H new ATOM 0 HA TRP A 94 12.309 -7.424 -0.989 1.00 0.75 H new ATOM 0 HB2 TRP A 94 13.239 -9.965 -1.878 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.770 -10.268 -0.971 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.939 -9.114 -4.330 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.950 -8.342 -5.792 1.00 1.13 H new ATOM 0 HE3 TRP A 94 9.355 -8.939 -0.692 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 8.229 -7.760 -5.401 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 7.073 -8.261 -1.316 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.517 -7.691 -3.644 1.00 1.63 H new ATOM 1496 N SER A 95 11.427 -7.519 1.327 1.00 0.65 N ATOM 1497 CA SER A 95 10.745 -7.583 2.607 1.00 0.65 C ATOM 1498 C SER A 95 9.362 -8.209 2.442 1.00 0.63 C ATOM 1499 O SER A 95 8.745 -8.099 1.382 1.00 0.72 O ATOM 1500 CB SER A 95 10.633 -6.182 3.204 1.00 0.68 C ATOM 1501 OG SER A 95 11.539 -5.289 2.574 1.00 0.94 O ATOM 0 H SER A 95 11.423 -6.595 0.896 1.00 0.65 H new ATOM 0 HA SER A 95 11.323 -8.209 3.287 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.614 -5.814 3.089 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.839 -6.221 4.274 1.00 0.68 H new ATOM 0 HG SER A 95 11.045 -4.690 1.976 1.00 0.94 H new ATOM 1507 N ASP A 96 8.920 -8.933 3.459 1.00 0.69 N ATOM 1508 CA ASP A 96 7.643 -9.634 3.403 1.00 0.74 C ATOM 1509 C ASP A 96 6.479 -8.660 3.549 1.00 0.63 C ATOM 1510 O ASP A 96 6.678 -7.489 3.889 1.00 0.53 O ATOM 1511 CB ASP A 96 7.567 -10.703 4.495 1.00 0.94 C ATOM 1512 CG ASP A 96 6.878 -11.966 4.018 1.00 1.28 C ATOM 1513 OD1 ASP A 96 5.757 -11.873 3.472 1.00 1.57 O ATOM 1514 OD2 ASP A 96 7.452 -13.062 4.189 1.00 1.94 O ATOM 0 H ASP A 96 9.427 -9.052 4.336 1.00 0.69 H new ATOM 0 HA ASP A 96 7.571 -10.118 2.429 1.00 0.74 H new ATOM 0 HB2 ASP A 96 8.574 -10.947 4.832 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.031 -10.302 5.356 1.00 0.94 H new ATOM 1519 N TRP A 97 5.268 -9.162 3.323 1.00 0.76 N ATOM 1520 CA TRP A 97 4.053 -8.362 3.442 1.00 0.73 C ATOM 1521 C TRP A 97 3.921 -7.813 4.857 1.00 0.60 C ATOM 1522 O TRP A 97 3.768 -8.573 5.817 1.00 0.76 O ATOM 1523 CB TRP A 97 2.829 -9.202 3.075 1.00 0.99 C ATOM 1524 CG TRP A 97 3.012 -10.012 1.826 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.915 -11.367 1.710 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.324 -9.519 0.517 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.150 -11.748 0.414 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.403 -10.634 -0.339 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.543 -8.245 -0.016 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.694 -10.513 -1.694 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.832 -8.127 -1.362 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.903 -9.256 -2.188 1.00 1.26 C ATOM 0 H TRP A 97 5.102 -10.131 3.053 1.00 0.76 H new ATOM 0 HA TRP A 97 4.115 -7.522 2.750 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.597 -9.872 3.903 1.00 0.99 H new ATOM 0 HB3 TRP A 97 1.970 -8.543 2.948 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.686 -12.042 2.521 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.138 -12.707 0.067 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.487 -7.369 0.613 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.753 -11.382 -2.333 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 4.006 -7.148 -1.784 1.00 1.38 H new ATOM 0 HH2 TRP A 97 4.128 -9.131 -3.237 1.00 1.26 H new ATOM 1543 N SER A 98 4.219 -6.531 4.996 1.00 0.41 N ATOM 1544 CA SER A 98 4.377 -5.923 6.304 1.00 0.42 C ATOM 1545 C SER A 98 3.075 -5.333 6.845 1.00 0.38 C ATOM 1546 O SER A 98 2.388 -5.966 7.644 1.00 0.46 O ATOM 1547 CB SER A 98 5.464 -4.857 6.220 1.00 0.51 C ATOM 1548 OG SER A 98 6.053 -4.860 4.931 1.00 0.50 O ATOM 0 H SER A 98 4.356 -5.890 4.214 1.00 0.41 H new ATOM 0 HA SER A 98 4.667 -6.702 7.009 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.039 -3.876 6.431 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.226 -5.044 6.977 1.00 0.51 H new ATOM 0 HG SER A 98 6.363 -5.764 4.715 1.00 0.50 H new ATOM 1554 N VAL A 99 2.790 -4.086 6.482 1.00 0.33 N ATOM 1555 CA VAL A 99 1.668 -3.365 7.073 1.00 0.34 C ATOM 1556 C VAL A 99 0.381 -3.570 6.289 1.00 0.32 C ATOM 1557 O VAL A 99 0.203 -3.023 5.203 1.00 0.34 O ATOM 1558 CB VAL A 99 1.964 -1.854 7.191 1.00 0.42 C ATOM 1559 CG1 VAL A 99 0.755 -1.104 7.735 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.179 -1.618 8.075 1.00 1.32 C ATOM 0 H VAL A 99 3.316 -3.557 5.787 1.00 0.33 H new ATOM 0 HA VAL A 99 1.532 -3.779 8.072 1.00 0.34 H new ATOM 0 HB VAL A 99 2.180 -1.471 6.194 1.00 0.42 H new ATOM 0 HG11 VAL A 99 0.989 -0.042 7.809 1.00 1.21 H new ATOM 0 HG12 VAL A 99 -0.092 -1.243 7.063 1.00 1.21 H new ATOM 0 HG13 VAL A 99 0.502 -1.489 8.723 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.374 -0.548 8.148 1.00 1.32 H new ATOM 0 HG22 VAL A 99 2.989 -2.021 9.070 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.046 -2.116 7.642 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.537 -4.300 6.893 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.861 -4.495 6.332 1.00 0.41 C ATOM 1572 C ALA A 100 -2.820 -3.432 6.857 1.00 0.43 C ATOM 1573 O ALA A 100 -3.296 -3.523 7.991 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.377 -5.886 6.663 1.00 0.50 C ATOM 0 H ALA A 100 -0.387 -4.774 7.784 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.797 -4.399 5.248 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.371 -6.017 6.235 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.702 -6.633 6.246 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -2.429 -6.007 7.745 1.00 0.50 H new ATOM 1580 N ALA A 101 -3.091 -2.421 6.047 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.995 -1.351 6.445 1.00 0.36 C ATOM 1582 C ALA A 101 -5.446 -1.785 6.265 1.00 0.41 C ATOM 1583 O ALA A 101 -5.873 -2.107 5.157 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.711 -0.084 5.646 1.00 0.42 C ATOM 0 H ALA A 101 -2.699 -2.318 5.111 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.829 -1.134 7.500 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.397 0.704 5.958 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.685 0.236 5.825 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.849 -0.285 4.584 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.197 -1.796 7.357 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.607 -2.157 7.311 1.00 0.57 C ATOM 1592 C HIS A 102 -8.440 -0.921 7.010 1.00 0.50 C ATOM 1593 O HIS A 102 -8.625 -0.066 7.874 1.00 0.76 O ATOM 1594 CB HIS A 102 -8.052 -2.776 8.638 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.413 -4.228 8.540 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.089 -4.901 9.533 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.184 -5.135 7.562 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -9.260 -6.159 9.174 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -8.720 -6.329 7.980 1.00 2.00 N ATOM 0 H HIS A 102 -5.853 -1.559 8.287 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.753 -2.895 6.523 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.252 -2.659 9.369 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.912 -2.223 9.016 1.00 0.95 H new ATOM 0 HD1 HIS A 102 -9.408 -4.490 10.410 1.00 1.60 H new ATOM 0 HD2 HIS A 102 -7.675 -4.954 6.627 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -9.757 -6.920 9.757 1.00 2.18 H new ATOM 1608 N ALA A 103 -8.821 -0.763 5.753 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.504 0.442 5.317 1.00 0.54 C ATOM 1610 C ALA A 103 -10.920 0.149 4.837 1.00 0.36 C ATOM 1611 O ALA A 103 -11.293 -1.008 4.633 1.00 0.35 O ATOM 1612 CB ALA A 103 -8.704 1.116 4.217 1.00 0.91 C ATOM 0 H ALA A 103 -8.669 -1.454 5.018 1.00 0.38 H new ATOM 0 HA ALA A 103 -9.583 1.112 6.173 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.220 2.020 3.893 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -7.716 1.378 4.594 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.601 0.435 3.373 1.00 0.91 H new ATOM 1618 N THR A 104 -11.702 1.206 4.680 1.00 0.41 N ATOM 1619 CA THR A 104 -13.088 1.108 4.236 1.00 0.38 C ATOM 1620 C THR A 104 -13.525 2.440 3.626 1.00 0.41 C ATOM 1621 O THR A 104 -13.576 3.449 4.333 1.00 0.51 O ATOM 1622 CB THR A 104 -14.030 0.773 5.414 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.569 -0.398 6.107 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.454 0.556 4.929 1.00 0.70 C ATOM 0 H THR A 104 -11.393 2.162 4.857 1.00 0.41 H new ATOM 0 HA THR A 104 -13.149 0.309 3.497 1.00 0.38 H new ATOM 0 HB THR A 104 -14.023 1.621 6.099 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.174 -0.597 6.851 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.096 0.322 5.778 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.814 1.462 4.441 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.475 -0.271 4.220 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.741 2.504 2.296 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.098 3.759 1.636 1.00 0.38 C ATOM 1634 C PRO A 105 -15.435 4.307 2.135 1.00 0.40 C ATOM 1635 O PRO A 105 -16.064 3.721 3.020 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.159 3.424 0.143 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.073 1.939 0.026 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.556 1.400 1.340 1.00 0.40 C ATOM 0 HA PRO A 105 -13.369 4.540 1.850 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.085 3.793 -0.298 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.339 3.901 -0.393 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.052 1.517 -0.201 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.407 1.658 -0.790 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.108 0.512 1.649 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.507 1.113 1.265 1.00 0.40 H new ATOM 1646 N TRP A 106 -15.801 5.493 1.658 1.00 0.35 N ATOM 1647 CA TRP A 106 -16.983 6.180 2.157 1.00 0.41 C ATOM 1648 C TRP A 106 -18.248 5.357 1.939 1.00 0.48 C ATOM 1649 O TRP A 106 -18.731 5.221 0.818 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.130 7.554 1.496 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.352 8.297 1.947 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -18.811 8.409 3.227 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.277 9.016 1.123 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -19.967 9.145 3.250 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.274 9.534 1.971 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.359 9.274 -0.247 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -21.339 10.292 1.492 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.415 10.026 -0.722 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.393 10.529 0.145 1.00 1.07 C ATOM 0 H TRP A 106 -15.296 5.996 0.928 1.00 0.35 H new ATOM 0 HA TRP A 106 -16.850 6.314 3.231 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.246 8.153 1.716 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.168 7.428 0.414 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.333 7.980 4.095 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -20.511 9.368 4.084 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.609 8.892 -0.924 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.095 10.679 2.159 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.488 10.230 -1.780 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.206 11.115 -0.257 1.00 1.07 H new ATOM 1670 N THR A 107 -18.811 4.867 3.031 1.00 0.60 N ATOM 1671 CA THR A 107 -20.066 4.145 2.975 1.00 0.75 C ATOM 1672 C THR A 107 -21.220 5.117 2.753 1.00 0.82 C ATOM 1673 O THR A 107 -21.542 5.926 3.627 1.00 0.89 O ATOM 1674 CB THR A 107 -20.293 3.337 4.263 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.041 2.812 4.728 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.267 2.196 4.023 1.00 1.19 C ATOM 0 H THR A 107 -18.416 4.958 3.967 1.00 0.60 H new ATOM 0 HA THR A 107 -20.022 3.447 2.139 1.00 0.75 H new ATOM 0 HB THR A 107 -20.718 4.000 5.016 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.812 2.009 4.214 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.411 1.640 4.949 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.223 2.598 3.689 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.866 1.530 3.258 1.00 1.19 H new