USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 567 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 Single : A 1 GLY N :NH3+ 146:sc= 0.00857 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 23:sc= 0.484 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -15.2! C(o=-15!,f=-15!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 129:sc= -1.44 USER MOD Single : A 44 LYS NZ :NH3+ -115:sc= -0.868 (180deg=-2.84!) USER MOD Single : A 45 GLN : amide:sc= -0.715 X(o=-0.72,f=-0.88) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0362 K(o=-0.036,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 43:sc= 1.13 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.526 5.205 21.598 1.00 0.00 N ATOM 2 CA GLY A 1 -6.232 5.821 21.825 1.00 0.00 C ATOM 3 C GLY A 1 -5.967 6.089 23.293 1.00 0.00 C ATOM 4 O GLY A 1 -6.878 6.443 24.041 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.917 5.541 20.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.417 4.171 21.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.173 5.460 22.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.450 5.172 21.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.177 6.759 21.272 1.00 0.00 H new ATOM 8 N SER A 2 -4.716 5.919 23.707 1.00 0.00 N ATOM 9 CA SER A 2 -4.334 6.141 25.097 1.00 0.00 C ATOM 10 C SER A 2 -4.130 7.627 25.374 1.00 0.00 C ATOM 11 O SER A 2 -4.715 8.182 26.305 1.00 0.00 O ATOM 12 CB SER A 2 -3.055 5.369 25.426 1.00 0.00 C ATOM 13 OG SER A 2 -2.664 5.579 26.772 1.00 0.00 O ATOM 0 H SER A 2 -3.949 5.628 23.100 1.00 0.00 H new ATOM 0 HA SER A 2 -5.142 5.779 25.732 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.214 4.305 25.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.254 5.685 24.758 1.00 0.00 H new ATOM 0 HG SER A 2 -1.845 5.074 26.957 1.00 0.00 H new ATOM 19 N SER A 3 -3.296 8.266 24.560 1.00 0.00 N ATOM 20 CA SER A 3 -3.011 9.687 24.719 1.00 0.00 C ATOM 21 C SER A 3 -3.941 10.528 23.850 1.00 0.00 C ATOM 22 O SER A 3 -4.507 10.039 22.873 1.00 0.00 O ATOM 23 CB SER A 3 -1.553 9.979 24.357 1.00 0.00 C ATOM 24 OG SER A 3 -0.704 9.797 25.477 1.00 0.00 O ATOM 0 H SER A 3 -2.806 7.822 23.784 1.00 0.00 H new ATOM 0 HA SER A 3 -3.179 9.952 25.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.237 9.322 23.547 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.464 11.002 23.991 1.00 0.00 H new ATOM 0 HG SER A 3 0.222 9.988 25.220 1.00 0.00 H new ATOM 30 N GLY A 4 -4.093 11.798 24.214 1.00 0.00 N ATOM 31 CA GLY A 4 -4.955 12.688 23.459 1.00 0.00 C ATOM 32 C GLY A 4 -5.376 13.905 24.258 1.00 0.00 C ATOM 33 O GLY A 4 -5.648 13.806 25.455 1.00 0.00 O ATOM 0 H GLY A 4 -3.634 12.226 25.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.436 13.012 22.557 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.843 12.143 23.138 1.00 0.00 H new ATOM 37 N SER A 5 -5.428 15.056 23.597 1.00 0.00 N ATOM 38 CA SER A 5 -5.813 16.299 24.256 1.00 0.00 C ATOM 39 C SER A 5 -6.901 17.019 23.464 1.00 0.00 C ATOM 40 O SER A 5 -7.974 17.315 23.990 1.00 0.00 O ATOM 41 CB SER A 5 -4.597 17.212 24.419 1.00 0.00 C ATOM 42 OG SER A 5 -4.815 18.176 25.435 1.00 0.00 O ATOM 0 H SER A 5 -5.209 15.154 22.606 1.00 0.00 H new ATOM 0 HA SER A 5 -6.208 16.052 25.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.719 16.614 24.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.387 17.715 23.475 1.00 0.00 H new ATOM 0 HG SER A 5 -4.022 18.746 25.521 1.00 0.00 H new ATOM 48 N SER A 6 -6.615 17.298 22.196 1.00 0.00 N ATOM 49 CA SER A 6 -7.566 17.986 21.332 1.00 0.00 C ATOM 50 C SER A 6 -8.774 17.101 21.040 1.00 0.00 C ATOM 51 O SER A 6 -8.660 16.078 20.366 1.00 0.00 O ATOM 52 CB SER A 6 -6.892 18.397 20.021 1.00 0.00 C ATOM 53 OG SER A 6 -6.128 19.579 20.189 1.00 0.00 O ATOM 0 H SER A 6 -5.732 17.058 21.745 1.00 0.00 H new ATOM 0 HA SER A 6 -7.910 18.880 21.852 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.248 17.590 19.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.649 18.556 19.253 1.00 0.00 H new ATOM 0 HG SER A 6 -5.706 19.820 19.338 1.00 0.00 H new ATOM 59 N GLY A 7 -9.933 17.504 21.554 1.00 0.00 N ATOM 60 CA GLY A 7 -11.146 16.737 21.338 1.00 0.00 C ATOM 61 C GLY A 7 -11.465 16.557 19.867 1.00 0.00 C ATOM 62 O GLY A 7 -11.627 17.534 19.136 1.00 0.00 O ATOM 0 H GLY A 7 -10.053 18.347 22.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.041 15.758 21.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.981 17.237 21.829 1.00 0.00 H new ATOM 66 N GLY A 8 -11.553 15.304 19.431 1.00 0.00 N ATOM 67 CA GLY A 8 -11.852 15.023 18.039 1.00 0.00 C ATOM 68 C GLY A 8 -10.789 15.555 17.098 1.00 0.00 C ATOM 69 O GLY A 8 -10.768 16.746 16.785 1.00 0.00 O ATOM 0 H GLY A 8 -11.423 14.479 20.017 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.948 13.946 17.902 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.815 15.464 17.781 1.00 0.00 H new ATOM 73 N ILE A 9 -9.905 14.672 16.648 1.00 0.00 N ATOM 74 CA ILE A 9 -8.834 15.060 15.739 1.00 0.00 C ATOM 75 C ILE A 9 -8.798 14.154 14.513 1.00 0.00 C ATOM 76 O ILE A 9 -9.178 12.985 14.580 1.00 0.00 O ATOM 77 CB ILE A 9 -7.460 15.017 16.435 1.00 0.00 C ATOM 78 CG1 ILE A 9 -7.299 13.709 17.211 1.00 0.00 C ATOM 79 CG2 ILE A 9 -7.298 16.213 17.361 1.00 0.00 C ATOM 80 CD1 ILE A 9 -5.857 13.332 17.468 1.00 0.00 C ATOM 0 H ILE A 9 -9.909 13.683 16.898 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.042 16.083 15.426 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.681 15.064 15.674 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -7.819 13.796 18.165 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.783 12.905 16.656 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.323 16.169 17.845 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.374 17.134 16.783 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.081 16.195 18.119 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.819 12.394 18.022 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.337 13.213 16.517 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.374 14.117 18.050 1.00 0.00 H new ATOM 92 N LYS A 10 -8.338 14.701 13.392 1.00 0.00 N ATOM 93 CA LYS A 10 -8.250 13.943 12.150 1.00 0.00 C ATOM 94 C LYS A 10 -7.032 14.371 11.337 1.00 0.00 C ATOM 95 O LYS A 10 -6.837 15.558 11.073 1.00 0.00 O ATOM 96 CB LYS A 10 -9.522 14.131 11.322 1.00 0.00 C ATOM 97 CG LYS A 10 -10.787 13.701 12.043 1.00 0.00 C ATOM 98 CD LYS A 10 -12.009 13.820 11.147 1.00 0.00 C ATOM 99 CE LYS A 10 -12.556 15.239 11.138 1.00 0.00 C ATOM 100 NZ LYS A 10 -13.559 15.454 12.217 1.00 0.00 N ATOM 0 H LYS A 10 -8.020 15.667 13.319 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.143 12.888 12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.612 15.181 11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.430 13.562 10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.682 12.670 12.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.926 14.315 12.933 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.747 13.523 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.782 13.133 11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.735 15.945 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.014 15.446 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.908 16.433 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.355 14.797 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.116 15.282 13.142 1.00 0.00 H new ATOM 114 N ASP A 11 -6.218 13.399 10.942 1.00 0.00 N ATOM 115 CA ASP A 11 -5.022 13.676 10.156 1.00 0.00 C ATOM 116 C ASP A 11 -4.851 12.645 9.044 1.00 0.00 C ATOM 117 O ASP A 11 -5.179 11.472 9.216 1.00 0.00 O ATOM 118 CB ASP A 11 -3.785 13.683 11.056 1.00 0.00 C ATOM 119 CG ASP A 11 -3.978 14.529 12.298 1.00 0.00 C ATOM 120 OD1 ASP A 11 -4.652 15.576 12.204 1.00 0.00 O ATOM 121 OD2 ASP A 11 -3.454 14.146 13.365 1.00 0.00 O ATOM 0 H ASP A 11 -6.365 12.412 11.153 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.136 14.660 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.547 12.661 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.931 14.060 10.492 1.00 0.00 H new ATOM 126 N SER A 12 -4.337 13.093 7.903 1.00 0.00 N ATOM 127 CA SER A 12 -4.128 12.211 6.760 1.00 0.00 C ATOM 128 C SER A 12 -3.008 12.735 5.867 1.00 0.00 C ATOM 129 O SER A 12 -2.766 13.939 5.773 1.00 0.00 O ATOM 130 CB SER A 12 -5.419 12.075 5.951 1.00 0.00 C ATOM 131 OG SER A 12 -6.286 11.116 6.532 1.00 0.00 O ATOM 0 H SER A 12 -4.058 14.061 7.745 1.00 0.00 H new ATOM 0 HA SER A 12 -3.839 11.230 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.922 13.040 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.182 11.783 4.928 1.00 0.00 H new ATOM 0 HG SER A 12 -6.067 11.010 7.481 1.00 0.00 H new ATOM 137 N PRO A 13 -2.306 11.811 5.196 1.00 0.00 N ATOM 138 CA PRO A 13 -1.199 12.154 4.298 1.00 0.00 C ATOM 139 C PRO A 13 -1.678 12.854 3.030 1.00 0.00 C ATOM 140 O PRO A 13 -2.423 12.279 2.236 1.00 0.00 O ATOM 141 CB PRO A 13 -0.582 10.795 3.959 1.00 0.00 C ATOM 142 CG PRO A 13 -1.693 9.819 4.141 1.00 0.00 C ATOM 143 CD PRO A 13 -2.538 10.358 5.261 1.00 0.00 C ATOM 0 HA PRO A 13 -0.500 12.850 4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.202 10.776 2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.257 10.566 4.616 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.277 9.717 3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.307 8.829 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.591 10.113 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.238 9.946 6.225 1.00 0.00 H new ATOM 151 N VAL A 14 -1.244 14.097 2.845 1.00 0.00 N ATOM 152 CA VAL A 14 -1.627 14.874 1.673 1.00 0.00 C ATOM 153 C VAL A 14 -0.937 14.351 0.418 1.00 0.00 C ATOM 154 O VAL A 14 -1.592 14.005 -0.564 1.00 0.00 O ATOM 155 CB VAL A 14 -1.284 16.364 1.851 1.00 0.00 C ATOM 156 CG1 VAL A 14 -1.640 17.148 0.596 1.00 0.00 C ATOM 157 CG2 VAL A 14 -2.000 16.934 3.066 1.00 0.00 C ATOM 0 H VAL A 14 -0.627 14.587 3.492 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.706 14.768 1.562 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.210 16.454 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.390 18.199 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.077 16.755 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.708 17.052 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.746 17.988 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.077 16.832 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.691 16.391 3.959 1.00 0.00 H new ATOM 167 N ASN A 15 0.390 14.296 0.458 1.00 0.00 N ATOM 168 CA ASN A 15 1.170 13.815 -0.676 1.00 0.00 C ATOM 169 C ASN A 15 1.351 12.302 -0.610 1.00 0.00 C ATOM 170 O ASN A 15 1.195 11.692 0.448 1.00 0.00 O ATOM 171 CB ASN A 15 2.537 14.502 -0.710 1.00 0.00 C ATOM 172 CG ASN A 15 2.439 15.969 -1.081 1.00 0.00 C ATOM 173 OD1 ASN A 15 2.084 16.808 -0.253 1.00 0.00 O ATOM 174 ND2 ASN A 15 2.752 16.285 -2.332 1.00 0.00 N ATOM 0 H ASN A 15 0.948 14.579 1.264 1.00 0.00 H new ATOM 0 HA ASN A 15 0.625 14.058 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.012 14.408 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.179 13.991 -1.427 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.703 17.256 -2.640 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.041 15.557 -2.985 1.00 0.00 H new ATOM 181 N LYS A 16 1.680 11.700 -1.748 1.00 0.00 N ATOM 182 CA LYS A 16 1.884 10.258 -1.821 1.00 0.00 C ATOM 183 C LYS A 16 2.580 9.743 -0.565 1.00 0.00 C ATOM 184 O LYS A 16 3.465 10.401 -0.019 1.00 0.00 O ATOM 185 CB LYS A 16 2.712 9.902 -3.058 1.00 0.00 C ATOM 186 CG LYS A 16 1.872 9.632 -4.295 1.00 0.00 C ATOM 187 CD LYS A 16 2.740 9.446 -5.528 1.00 0.00 C ATOM 188 CE LYS A 16 3.264 10.777 -6.047 1.00 0.00 C ATOM 189 NZ LYS A 16 2.282 11.448 -6.943 1.00 0.00 N ATOM 0 H LYS A 16 1.811 12.189 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 16 0.907 9.781 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.403 10.718 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.316 9.021 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.266 8.740 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.182 10.461 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.579 8.792 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.163 8.951 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.493 11.430 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.197 10.614 -6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.676 12.351 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.082 10.836 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.401 11.626 -6.420 1.00 0.00 H new ATOM 203 N VAL A 17 2.174 8.561 -0.113 1.00 0.00 N ATOM 204 CA VAL A 17 2.760 7.956 1.077 1.00 0.00 C ATOM 205 C VAL A 17 4.263 7.762 0.912 1.00 0.00 C ATOM 206 O VAL A 17 5.049 8.171 1.766 1.00 0.00 O ATOM 207 CB VAL A 17 2.110 6.596 1.394 1.00 0.00 C ATOM 208 CG1 VAL A 17 0.635 6.771 1.720 1.00 0.00 C ATOM 209 CG2 VAL A 17 2.296 5.633 0.230 1.00 0.00 C ATOM 0 H VAL A 17 1.442 8.003 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 17 2.574 8.641 1.904 1.00 0.00 H new ATOM 0 HB VAL A 17 2.603 6.173 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.193 5.799 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.529 7.423 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.124 7.216 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.831 4.677 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.830 6.048 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.360 5.483 0.048 1.00 0.00 H new ATOM 219 N GLU A 18 4.656 7.136 -0.193 1.00 0.00 N ATOM 220 CA GLU A 18 6.066 6.888 -0.470 1.00 0.00 C ATOM 221 C GLU A 18 6.276 6.519 -1.935 1.00 0.00 C ATOM 222 O GLU A 18 5.346 6.133 -2.644 1.00 0.00 O ATOM 223 CB GLU A 18 6.596 5.770 0.430 1.00 0.00 C ATOM 224 CG GLU A 18 7.164 6.267 1.749 1.00 0.00 C ATOM 225 CD GLU A 18 8.037 7.495 1.582 1.00 0.00 C ATOM 226 OE1 GLU A 18 9.256 7.332 1.364 1.00 0.00 O ATOM 227 OE2 GLU A 18 7.501 8.620 1.669 1.00 0.00 O ATOM 0 H GLU A 18 4.018 6.792 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 18 6.618 7.805 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.789 5.066 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.370 5.221 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.344 6.498 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.747 5.471 2.212 1.00 0.00 H new ATOM 234 N PRO A 19 7.528 6.640 -2.402 1.00 0.00 N ATOM 235 CA PRO A 19 7.890 6.325 -3.787 1.00 0.00 C ATOM 236 C PRO A 19 7.823 4.830 -4.077 1.00 0.00 C ATOM 237 O PRO A 19 8.160 4.385 -5.174 1.00 0.00 O ATOM 238 CB PRO A 19 9.332 6.827 -3.899 1.00 0.00 C ATOM 239 CG PRO A 19 9.856 6.788 -2.505 1.00 0.00 C ATOM 240 CD PRO A 19 8.685 7.095 -1.613 1.00 0.00 C ATOM 0 HA PRO A 19 7.207 6.784 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.922 6.193 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.369 7.837 -4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.277 5.809 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.653 7.518 -2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.755 6.568 -0.662 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.622 8.159 -1.384 1.00 0.00 H new ATOM 248 N ASN A 20 7.384 4.058 -3.088 1.00 0.00 N ATOM 249 CA ASN A 20 7.273 2.612 -3.238 1.00 0.00 C ATOM 250 C ASN A 20 5.955 2.235 -3.909 1.00 0.00 C ATOM 251 O ASN A 20 5.456 1.123 -3.737 1.00 0.00 O ATOM 252 CB ASN A 20 7.378 1.927 -1.874 1.00 0.00 C ATOM 253 CG ASN A 20 8.814 1.638 -1.481 1.00 0.00 C ATOM 254 OD1 ASN A 20 9.123 0.567 -0.959 1.00 0.00 O ATOM 255 ND2 ASN A 20 9.700 2.595 -1.732 1.00 0.00 N ATOM 0 H ASN A 20 7.099 4.410 -2.174 1.00 0.00 H new ATOM 0 HA ASN A 20 8.093 2.273 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.917 2.560 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.815 0.994 -1.895 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.681 2.458 -1.490 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.399 3.467 -2.166 1.00 0.00 H new ATOM 262 N ASP A 21 5.398 3.168 -4.672 1.00 0.00 N ATOM 263 CA ASP A 21 4.139 2.934 -5.371 1.00 0.00 C ATOM 264 C ASP A 21 4.144 1.571 -6.057 1.00 0.00 C ATOM 265 O ASP A 21 3.120 0.890 -6.117 1.00 0.00 O ATOM 266 CB ASP A 21 3.890 4.037 -6.400 1.00 0.00 C ATOM 267 CG ASP A 21 4.883 3.996 -7.545 1.00 0.00 C ATOM 268 OD1 ASP A 21 6.097 4.121 -7.282 1.00 0.00 O ATOM 269 OD2 ASP A 21 4.446 3.839 -8.705 1.00 0.00 O ATOM 0 H ASP A 21 5.798 4.094 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 21 3.335 2.947 -4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.879 3.939 -6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.947 5.008 -5.908 1.00 0.00 H new ATOM 274 N THR A 22 5.304 1.180 -6.577 1.00 0.00 N ATOM 275 CA THR A 22 5.442 -0.099 -7.261 1.00 0.00 C ATOM 276 C THR A 22 4.669 -1.196 -6.538 1.00 0.00 C ATOM 277 O THR A 22 4.131 -2.108 -7.167 1.00 0.00 O ATOM 278 CB THR A 22 6.920 -0.518 -7.375 1.00 0.00 C ATOM 279 OG1 THR A 22 7.587 0.297 -8.346 1.00 0.00 O ATOM 280 CG2 THR A 22 7.038 -1.983 -7.769 1.00 0.00 C ATOM 0 H THR A 22 6.161 1.731 -6.537 1.00 0.00 H new ATOM 0 HA THR A 22 5.030 0.032 -8.262 1.00 0.00 H new ATOM 0 HB THR A 22 7.390 -0.380 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.526 0.025 -8.411 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.091 -2.256 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.555 -2.603 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.553 -2.141 -8.732 1.00 0.00 H new ATOM 288 N LEU A 23 4.616 -1.101 -5.214 1.00 0.00 N ATOM 289 CA LEU A 23 3.907 -2.086 -4.405 1.00 0.00 C ATOM 290 C LEU A 23 2.405 -2.027 -4.667 1.00 0.00 C ATOM 291 O LEU A 23 1.744 -3.059 -4.776 1.00 0.00 O ATOM 292 CB LEU A 23 4.186 -1.851 -2.919 1.00 0.00 C ATOM 293 CG LEU A 23 5.559 -2.297 -2.416 1.00 0.00 C ATOM 294 CD1 LEU A 23 6.640 -1.938 -3.424 1.00 0.00 C ATOM 295 CD2 LEU A 23 5.861 -1.671 -1.062 1.00 0.00 C ATOM 0 H LEU A 23 5.055 -0.352 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 23 4.268 -3.076 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.074 -0.787 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.423 -2.370 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 23 5.546 -3.381 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.610 -2.263 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.433 -2.434 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.653 -0.859 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.842 -2.000 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.854 -0.585 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.103 -1.979 -0.341 1.00 0.00 H new ATOM 307 N GLU A 24 1.875 -0.812 -4.768 1.00 0.00 N ATOM 308 CA GLU A 24 0.451 -0.619 -5.019 1.00 0.00 C ATOM 309 C GLU A 24 -0.055 -1.606 -6.068 1.00 0.00 C ATOM 310 O GLU A 24 -1.203 -2.048 -6.018 1.00 0.00 O ATOM 311 CB GLU A 24 0.182 0.815 -5.480 1.00 0.00 C ATOM 312 CG GLU A 24 -1.290 1.192 -5.465 1.00 0.00 C ATOM 313 CD GLU A 24 -1.600 2.370 -6.368 1.00 0.00 C ATOM 314 OE1 GLU A 24 -0.860 3.375 -6.308 1.00 0.00 O ATOM 315 OE2 GLU A 24 -2.582 2.287 -7.135 1.00 0.00 O ATOM 0 H GLU A 24 2.409 0.052 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.084 -0.800 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.731 1.503 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.571 0.942 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.884 0.333 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.589 1.432 -4.445 1.00 0.00 H new ATOM 322 N LYS A 25 0.810 -1.946 -7.017 1.00 0.00 N ATOM 323 CA LYS A 25 0.453 -2.881 -8.078 1.00 0.00 C ATOM 324 C LYS A 25 0.452 -4.316 -7.562 1.00 0.00 C ATOM 325 O LYS A 25 -0.599 -4.949 -7.461 1.00 0.00 O ATOM 326 CB LYS A 25 1.429 -2.750 -9.250 1.00 0.00 C ATOM 327 CG LYS A 25 0.916 -3.366 -10.540 1.00 0.00 C ATOM 328 CD LYS A 25 1.939 -3.252 -11.658 1.00 0.00 C ATOM 329 CE LYS A 25 3.031 -4.302 -11.524 1.00 0.00 C ATOM 330 NZ LYS A 25 4.122 -4.098 -12.517 1.00 0.00 N ATOM 0 H LYS A 25 1.764 -1.588 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.553 -2.636 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.640 -1.694 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.373 -3.224 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.675 -4.416 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.008 -2.870 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.441 -3.364 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.385 -2.258 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.446 -4.268 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.599 -5.294 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.846 -4.834 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.731 -4.156 -13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.551 -3.162 -12.374 1.00 0.00 H new ATOM 344 N VAL A 26 1.636 -4.823 -7.235 1.00 0.00 N ATOM 345 CA VAL A 26 1.771 -6.183 -6.726 1.00 0.00 C ATOM 346 C VAL A 26 0.720 -6.478 -5.662 1.00 0.00 C ATOM 347 O VAL A 26 0.199 -7.591 -5.580 1.00 0.00 O ATOM 348 CB VAL A 26 3.171 -6.423 -6.130 1.00 0.00 C ATOM 349 CG1 VAL A 26 3.174 -6.129 -4.638 1.00 0.00 C ATOM 350 CG2 VAL A 26 3.627 -7.849 -6.401 1.00 0.00 C ATOM 0 H VAL A 26 2.516 -4.313 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 26 1.625 -6.854 -7.573 1.00 0.00 H new ATOM 0 HB VAL A 26 3.873 -5.743 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.171 -6.304 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.893 -5.089 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.460 -6.783 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.618 -8.002 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.924 -8.548 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.666 -8.020 -7.477 1.00 0.00 H new ATOM 360 N PHE A 27 0.413 -5.474 -4.847 1.00 0.00 N ATOM 361 CA PHE A 27 -0.577 -5.626 -3.786 1.00 0.00 C ATOM 362 C PHE A 27 -1.906 -6.122 -4.349 1.00 0.00 C ATOM 363 O PHE A 27 -2.525 -7.032 -3.798 1.00 0.00 O ATOM 364 CB PHE A 27 -0.782 -4.296 -3.058 1.00 0.00 C ATOM 365 CG PHE A 27 -2.036 -4.253 -2.231 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.274 -4.106 -2.834 1.00 0.00 C ATOM 367 CD2 PHE A 27 -1.975 -4.361 -0.851 1.00 0.00 C ATOM 368 CE1 PHE A 27 -4.429 -4.065 -2.075 1.00 0.00 C ATOM 369 CE2 PHE A 27 -3.126 -4.322 -0.087 1.00 0.00 C ATOM 370 CZ PHE A 27 -4.355 -4.175 -0.700 1.00 0.00 C ATOM 0 H PHE A 27 0.835 -4.547 -4.901 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.205 -6.366 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.076 -4.108 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.812 -3.490 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.338 -4.022 -3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.017 -4.477 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.388 -3.947 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.065 -4.406 0.988 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.256 -4.146 -0.106 1.00 0.00 H new ATOM 380 N VAL A 28 -2.339 -5.516 -5.450 1.00 0.00 N ATOM 381 CA VAL A 28 -3.593 -5.895 -6.088 1.00 0.00 C ATOM 382 C VAL A 28 -3.342 -6.678 -7.372 1.00 0.00 C ATOM 383 O VAL A 28 -4.275 -6.998 -8.109 1.00 0.00 O ATOM 384 CB VAL A 28 -4.453 -4.659 -6.414 1.00 0.00 C ATOM 385 CG1 VAL A 28 -3.728 -3.746 -7.391 1.00 0.00 C ATOM 386 CG2 VAL A 28 -5.804 -5.082 -6.970 1.00 0.00 C ATOM 0 H VAL A 28 -1.839 -4.760 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.130 -6.526 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.623 -4.103 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.351 -2.879 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.787 -3.416 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.525 -4.289 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.398 -4.196 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.657 -5.661 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.326 -5.692 -6.233 1.00 0.00 H new ATOM 396 N SER A 29 -2.076 -6.986 -7.632 1.00 0.00 N ATOM 397 CA SER A 29 -1.701 -7.730 -8.829 1.00 0.00 C ATOM 398 C SER A 29 -1.394 -9.186 -8.490 1.00 0.00 C ATOM 399 O SER A 29 -1.879 -10.105 -9.149 1.00 0.00 O ATOM 400 CB SER A 29 -0.486 -7.084 -9.497 1.00 0.00 C ATOM 401 OG SER A 29 -0.438 -7.395 -10.879 1.00 0.00 O ATOM 0 H SER A 29 -1.292 -6.732 -7.030 1.00 0.00 H new ATOM 0 HA SER A 29 -2.543 -7.705 -9.520 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.527 -6.003 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.427 -7.430 -9.011 1.00 0.00 H new ATOM 0 HG SER A 29 0.347 -6.969 -11.283 1.00 0.00 H new ATOM 407 N VAL A 30 -0.584 -9.388 -7.455 1.00 0.00 N ATOM 408 CA VAL A 30 -0.212 -10.731 -7.026 1.00 0.00 C ATOM 409 C VAL A 30 -0.952 -11.125 -5.753 1.00 0.00 C ATOM 410 O VAL A 30 -1.476 -12.235 -5.644 1.00 0.00 O ATOM 411 CB VAL A 30 1.304 -10.842 -6.780 1.00 0.00 C ATOM 412 CG1 VAL A 30 2.071 -9.982 -7.774 1.00 0.00 C ATOM 413 CG2 VAL A 30 1.642 -10.448 -5.350 1.00 0.00 C ATOM 0 H VAL A 30 -0.173 -8.639 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.492 -11.410 -7.831 1.00 0.00 H new ATOM 0 HB VAL A 30 1.603 -11.880 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.141 -10.073 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.852 -10.316 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.770 -8.940 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.717 -10.532 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.329 -9.419 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.122 -11.110 -4.658 1.00 0.00 H new ATOM 423 N THR A 31 -0.992 -10.209 -4.790 1.00 0.00 N ATOM 424 CA THR A 31 -1.668 -10.461 -3.523 1.00 0.00 C ATOM 425 C THR A 31 -1.671 -9.216 -2.645 1.00 0.00 C ATOM 426 O THR A 31 -0.706 -8.451 -2.630 1.00 0.00 O ATOM 427 CB THR A 31 -1.003 -11.618 -2.752 1.00 0.00 C ATOM 428 OG1 THR A 31 -1.753 -11.912 -1.568 1.00 0.00 O ATOM 429 CG2 THR A 31 0.429 -11.266 -2.378 1.00 0.00 C ATOM 0 H THR A 31 -0.564 -9.286 -4.863 1.00 0.00 H new ATOM 0 HA THR A 31 -2.695 -10.736 -3.762 1.00 0.00 H new ATOM 0 HB THR A 31 -0.987 -12.495 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.325 -12.649 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.878 -12.097 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.004 -11.071 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.432 -10.377 -1.748 1.00 0.00 H new ATOM 437 N LYS A 32 -2.761 -9.017 -1.912 1.00 0.00 N ATOM 438 CA LYS A 32 -2.890 -7.865 -1.028 1.00 0.00 C ATOM 439 C LYS A 32 -2.092 -8.071 0.255 1.00 0.00 C ATOM 440 O LYS A 32 -1.534 -7.124 0.810 1.00 0.00 O ATOM 441 CB LYS A 32 -4.362 -7.617 -0.691 1.00 0.00 C ATOM 442 CG LYS A 32 -5.216 -7.283 -1.902 1.00 0.00 C ATOM 443 CD LYS A 32 -6.616 -6.854 -1.497 1.00 0.00 C ATOM 444 CE LYS A 32 -7.368 -6.231 -2.663 1.00 0.00 C ATOM 445 NZ LYS A 32 -8.559 -5.462 -2.207 1.00 0.00 N ATOM 0 H LYS A 32 -3.569 -9.640 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.490 -6.994 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.769 -8.503 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.429 -6.799 0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.742 -6.486 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.276 -8.152 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.169 -7.717 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.555 -6.138 -0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.699 -5.571 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.683 -7.015 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.044 -5.053 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.210 -6.097 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.256 -4.698 -1.570 1.00 0.00 H new ATOM 459 N TYR A 33 -2.041 -9.314 0.721 1.00 0.00 N ATOM 460 CA TYR A 33 -1.311 -9.644 1.939 1.00 0.00 C ATOM 461 C TYR A 33 -0.077 -10.485 1.625 1.00 0.00 C ATOM 462 O TYR A 33 -0.085 -11.711 1.736 1.00 0.00 O ATOM 463 CB TYR A 33 -2.219 -10.396 2.915 1.00 0.00 C ATOM 464 CG TYR A 33 -3.524 -9.686 3.196 1.00 0.00 C ATOM 465 CD1 TYR A 33 -4.572 -9.730 2.285 1.00 0.00 C ATOM 466 CD2 TYR A 33 -3.710 -8.972 4.374 1.00 0.00 C ATOM 467 CE1 TYR A 33 -5.766 -9.083 2.537 1.00 0.00 C ATOM 468 CE2 TYR A 33 -4.901 -8.323 4.635 1.00 0.00 C ATOM 469 CZ TYR A 33 -5.925 -8.381 3.714 1.00 0.00 C ATOM 470 OH TYR A 33 -7.114 -7.736 3.970 1.00 0.00 O ATOM 0 H TYR A 33 -2.497 -10.109 0.274 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.985 -8.712 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.433 -11.385 2.511 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.686 -10.544 3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.451 -10.280 1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.910 -8.924 5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.570 -9.126 1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.029 -7.773 5.556 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.063 -7.290 4.841 1.00 0.00 H new ATOM 480 N PRO A 34 1.010 -9.811 1.223 1.00 0.00 N ATOM 481 CA PRO A 34 2.273 -10.474 0.884 1.00 0.00 C ATOM 482 C PRO A 34 2.967 -11.058 2.110 1.00 0.00 C ATOM 483 O PRO A 34 2.547 -10.825 3.243 1.00 0.00 O ATOM 484 CB PRO A 34 3.114 -9.348 0.279 1.00 0.00 C ATOM 485 CG PRO A 34 2.561 -8.100 0.875 1.00 0.00 C ATOM 486 CD PRO A 34 1.091 -8.349 1.068 1.00 0.00 C ATOM 0 HA PRO A 34 2.123 -11.319 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.170 -9.468 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.036 -9.336 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.046 -7.873 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.729 -7.246 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.707 -7.830 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.509 -8.003 0.214 1.00 0.00 H new ATOM 494 N ASP A 35 4.033 -11.816 1.876 1.00 0.00 N ATOM 495 CA ASP A 35 4.787 -12.432 2.961 1.00 0.00 C ATOM 496 C ASP A 35 6.273 -12.108 2.842 1.00 0.00 C ATOM 497 O ASP A 35 6.766 -11.805 1.757 1.00 0.00 O ATOM 498 CB ASP A 35 4.580 -13.947 2.959 1.00 0.00 C ATOM 499 CG ASP A 35 3.204 -14.345 3.454 1.00 0.00 C ATOM 500 OD1 ASP A 35 2.786 -13.838 4.515 1.00 0.00 O ATOM 501 OD2 ASP A 35 2.544 -15.164 2.780 1.00 0.00 O ATOM 0 H ASP A 35 4.394 -12.018 0.944 1.00 0.00 H new ATOM 0 HA ASP A 35 4.419 -12.025 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.724 -14.329 1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.338 -14.415 3.587 1.00 0.00 H new ATOM 506 N GLU A 36 6.979 -12.174 3.967 1.00 0.00 N ATOM 507 CA GLU A 36 8.409 -11.886 3.988 1.00 0.00 C ATOM 508 C GLU A 36 9.080 -12.367 2.704 1.00 0.00 C ATOM 509 O GLU A 36 9.924 -11.676 2.134 1.00 0.00 O ATOM 510 CB GLU A 36 9.067 -12.548 5.200 1.00 0.00 C ATOM 511 CG GLU A 36 10.556 -12.266 5.313 1.00 0.00 C ATOM 512 CD GLU A 36 11.256 -13.206 6.275 1.00 0.00 C ATOM 513 OE1 GLU A 36 11.176 -14.435 6.069 1.00 0.00 O ATOM 514 OE2 GLU A 36 11.884 -12.712 7.235 1.00 0.00 O ATOM 0 H GLU A 36 6.585 -12.424 4.874 1.00 0.00 H new ATOM 0 HA GLU A 36 8.535 -10.806 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.570 -12.202 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.913 -13.626 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.014 -12.353 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.703 -11.238 5.644 1.00 0.00 H new ATOM 521 N LYS A 37 8.698 -13.558 2.255 1.00 0.00 N ATOM 522 CA LYS A 37 9.261 -14.133 1.039 1.00 0.00 C ATOM 523 C LYS A 37 9.278 -13.109 -0.091 1.00 0.00 C ATOM 524 O LYS A 37 10.328 -12.819 -0.663 1.00 0.00 O ATOM 525 CB LYS A 37 8.457 -15.364 0.614 1.00 0.00 C ATOM 526 CG LYS A 37 8.646 -16.561 1.530 1.00 0.00 C ATOM 527 CD LYS A 37 7.626 -17.650 1.242 1.00 0.00 C ATOM 528 CE LYS A 37 6.301 -17.369 1.934 1.00 0.00 C ATOM 529 NZ LYS A 37 5.534 -18.619 2.191 1.00 0.00 N ATOM 0 H LYS A 37 8.001 -14.144 2.715 1.00 0.00 H new ATOM 0 HA LYS A 37 10.288 -14.431 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.399 -15.104 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.745 -15.644 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.652 -16.961 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.557 -16.243 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.467 -17.726 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.015 -18.612 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.486 -16.856 2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.704 -16.697 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.638 -18.385 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.335 -19.096 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.093 -19.250 2.801 1.00 0.00 H new ATOM 543 N ARG A 38 8.108 -12.562 -0.406 1.00 0.00 N ATOM 544 CA ARG A 38 7.989 -11.570 -1.467 1.00 0.00 C ATOM 545 C ARG A 38 8.753 -10.298 -1.110 1.00 0.00 C ATOM 546 O ARG A 38 9.334 -9.645 -1.978 1.00 0.00 O ATOM 547 CB ARG A 38 6.517 -11.238 -1.722 1.00 0.00 C ATOM 548 CG ARG A 38 6.259 -10.629 -3.090 1.00 0.00 C ATOM 549 CD ARG A 38 4.792 -10.736 -3.479 1.00 0.00 C ATOM 550 NE ARG A 38 4.473 -12.036 -4.061 1.00 0.00 N ATOM 551 CZ ARG A 38 4.825 -12.398 -5.290 1.00 0.00 C ATOM 552 NH1 ARG A 38 5.505 -11.561 -6.062 1.00 0.00 N ATOM 553 NH2 ARG A 38 4.498 -13.600 -5.748 1.00 0.00 N ATOM 0 H ARG A 38 7.229 -12.790 0.059 1.00 0.00 H new ATOM 0 HA ARG A 38 8.422 -11.992 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.925 -12.148 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.171 -10.546 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.560 -9.581 -3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.872 -11.134 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.171 -10.571 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.548 -9.950 -4.193 1.00 0.00 H new ATOM 0 HE ARG A 38 3.951 -12.703 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.759 -10.637 -5.713 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.774 -11.841 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.976 -14.247 -5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.769 -13.877 -6.692 1.00 0.00 H new ATOM 567 N LEU A 39 8.749 -9.952 0.173 1.00 0.00 N ATOM 568 CA LEU A 39 9.442 -8.758 0.645 1.00 0.00 C ATOM 569 C LEU A 39 10.918 -8.799 0.265 1.00 0.00 C ATOM 570 O LEU A 39 11.494 -7.789 -0.142 1.00 0.00 O ATOM 571 CB LEU A 39 9.298 -8.628 2.162 1.00 0.00 C ATOM 572 CG LEU A 39 8.051 -7.895 2.658 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.898 -6.561 1.944 1.00 0.00 C ATOM 574 CD2 LEU A 39 6.811 -8.755 2.457 1.00 0.00 C ATOM 0 H LEU A 39 8.274 -10.481 0.904 1.00 0.00 H new ATOM 0 HA LEU A 39 8.987 -7.891 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.303 -9.629 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.176 -8.110 2.547 1.00 0.00 H new ATOM 0 HG LEU A 39 8.166 -7.703 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.005 -6.053 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.773 -5.942 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.805 -6.731 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.933 -8.217 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.691 -8.979 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.919 -9.685 3.014 1.00 0.00 H new ATOM 586 N LYS A 40 11.526 -9.973 0.397 1.00 0.00 N ATOM 587 CA LYS A 40 12.935 -10.148 0.064 1.00 0.00 C ATOM 588 C LYS A 40 13.242 -9.581 -1.318 1.00 0.00 C ATOM 589 O LYS A 40 14.316 -9.026 -1.548 1.00 0.00 O ATOM 590 CB LYS A 40 13.312 -11.630 0.114 1.00 0.00 C ATOM 591 CG LYS A 40 13.555 -12.149 1.521 1.00 0.00 C ATOM 592 CD LYS A 40 13.248 -13.633 1.629 1.00 0.00 C ATOM 593 CE LYS A 40 14.256 -14.468 0.854 1.00 0.00 C ATOM 594 NZ LYS A 40 13.654 -15.731 0.344 1.00 0.00 N ATOM 0 H LYS A 40 11.064 -10.818 0.733 1.00 0.00 H new ATOM 0 HA LYS A 40 13.527 -9.604 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.516 -12.214 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.210 -11.788 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.593 -11.970 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.934 -11.596 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.255 -13.932 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.245 -13.827 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.643 -13.886 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.104 -14.704 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.372 -16.272 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.307 -16.298 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.861 -15.506 -0.290 1.00 0.00 H new ATOM 608 N GLY A 41 12.290 -9.723 -2.236 1.00 0.00 N ATOM 609 CA GLY A 41 12.478 -9.218 -3.584 1.00 0.00 C ATOM 610 C GLY A 41 12.438 -7.704 -3.647 1.00 0.00 C ATOM 611 O GLY A 41 13.374 -7.071 -4.136 1.00 0.00 O ATOM 0 H GLY A 41 11.393 -10.178 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.435 -9.569 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.703 -9.626 -4.233 1.00 0.00 H new ATOM 615 N LEU A 42 11.351 -7.122 -3.153 1.00 0.00 N ATOM 616 CA LEU A 42 11.191 -5.672 -3.157 1.00 0.00 C ATOM 617 C LEU A 42 12.339 -4.996 -2.414 1.00 0.00 C ATOM 618 O LEU A 42 12.937 -4.042 -2.911 1.00 0.00 O ATOM 619 CB LEU A 42 9.856 -5.284 -2.518 1.00 0.00 C ATOM 620 CG LEU A 42 8.617 -5.458 -3.396 1.00 0.00 C ATOM 621 CD1 LEU A 42 7.365 -5.558 -2.538 1.00 0.00 C ATOM 622 CD2 LEU A 42 8.498 -4.308 -4.385 1.00 0.00 C ATOM 0 H LEU A 42 10.567 -7.632 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 42 11.203 -5.333 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.722 -5.878 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.914 -4.241 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 42 8.722 -6.385 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.493 -5.681 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.449 -6.416 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.255 -4.648 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.610 -4.449 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.416 -3.367 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.382 -4.283 -5.022 1.00 0.00 H new ATOM 634 N SER A 43 12.642 -5.498 -1.221 1.00 0.00 N ATOM 635 CA SER A 43 13.718 -4.941 -0.408 1.00 0.00 C ATOM 636 C SER A 43 14.876 -4.476 -1.285 1.00 0.00 C ATOM 637 O SER A 43 15.369 -3.357 -1.141 1.00 0.00 O ATOM 638 CB SER A 43 14.212 -5.980 0.601 1.00 0.00 C ATOM 639 OG SER A 43 13.449 -5.936 1.793 1.00 0.00 O ATOM 0 H SER A 43 12.158 -6.289 -0.796 1.00 0.00 H new ATOM 0 HA SER A 43 13.325 -4.079 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.150 -6.976 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.262 -5.798 0.831 1.00 0.00 H new ATOM 0 HG SER A 43 13.138 -6.838 2.016 1.00 0.00 H new ATOM 645 N LYS A 44 15.306 -5.342 -2.196 1.00 0.00 N ATOM 646 CA LYS A 44 16.405 -5.022 -3.098 1.00 0.00 C ATOM 647 C LYS A 44 15.928 -4.136 -4.245 1.00 0.00 C ATOM 648 O LYS A 44 16.655 -3.257 -4.705 1.00 0.00 O ATOM 649 CB LYS A 44 17.025 -6.305 -3.656 1.00 0.00 C ATOM 650 CG LYS A 44 17.894 -7.046 -2.654 1.00 0.00 C ATOM 651 CD LYS A 44 19.255 -6.387 -2.502 1.00 0.00 C ATOM 652 CE LYS A 44 20.146 -6.665 -3.703 1.00 0.00 C ATOM 653 NZ LYS A 44 19.983 -5.634 -4.765 1.00 0.00 N ATOM 0 H LYS A 44 14.909 -6.272 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 44 17.160 -4.478 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.228 -6.967 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.625 -6.058 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.392 -7.074 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 44 18.023 -8.079 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.128 -5.311 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.739 -6.753 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.188 -6.695 -3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.909 -7.648 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.576 -6.073 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.348 -4.883 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.910 -5.224 -4.996 1.00 0.00 H new ATOM 667 N GLN A 45 14.701 -4.373 -4.699 1.00 0.00 N ATOM 668 CA GLN A 45 14.127 -3.596 -5.790 1.00 0.00 C ATOM 669 C GLN A 45 14.124 -2.108 -5.455 1.00 0.00 C ATOM 670 O GLN A 45 14.724 -1.299 -6.165 1.00 0.00 O ATOM 671 CB GLN A 45 12.703 -4.068 -6.087 1.00 0.00 C ATOM 672 CG GLN A 45 12.102 -3.442 -7.335 1.00 0.00 C ATOM 673 CD GLN A 45 11.078 -4.339 -8.003 1.00 0.00 C ATOM 674 OE1 GLN A 45 11.253 -5.555 -8.073 1.00 0.00 O ATOM 675 NE2 GLN A 45 10.000 -3.741 -8.497 1.00 0.00 N ATOM 0 H GLN A 45 14.086 -5.097 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 45 14.744 -3.749 -6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.705 -5.152 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.067 -3.837 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.632 -2.494 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.899 -3.216 -8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.896 -2.730 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.276 -4.293 -8.957 1.00 0.00 H new ATOM 684 N LEU A 46 13.444 -1.753 -4.371 1.00 0.00 N ATOM 685 CA LEU A 46 13.361 -0.361 -3.942 1.00 0.00 C ATOM 686 C LEU A 46 14.409 -0.057 -2.875 1.00 0.00 C ATOM 687 O LEU A 46 14.226 0.836 -2.048 1.00 0.00 O ATOM 688 CB LEU A 46 11.963 -0.055 -3.401 1.00 0.00 C ATOM 689 CG LEU A 46 10.821 -0.130 -4.415 1.00 0.00 C ATOM 690 CD1 LEU A 46 9.526 -0.541 -3.731 1.00 0.00 C ATOM 691 CD2 LEU A 46 10.650 1.205 -5.125 1.00 0.00 C ATOM 0 H LEU A 46 12.942 -2.409 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 46 13.555 0.272 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.749 -0.751 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.973 0.945 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 46 11.071 -0.886 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.725 -0.589 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.653 -1.520 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.271 0.191 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.833 1.133 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.423 1.980 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.572 1.459 -5.648 1.00 0.00 H new ATOM 703 N ASP A 47 15.507 -0.804 -2.902 1.00 0.00 N ATOM 704 CA ASP A 47 16.586 -0.613 -1.940 1.00 0.00 C ATOM 705 C ASP A 47 16.029 -0.363 -0.542 1.00 0.00 C ATOM 706 O ASP A 47 16.579 0.429 0.224 1.00 0.00 O ATOM 707 CB ASP A 47 17.475 0.557 -2.364 1.00 0.00 C ATOM 708 CG ASP A 47 18.547 0.870 -1.340 1.00 0.00 C ATOM 709 OD1 ASP A 47 19.101 -0.081 -0.749 1.00 0.00 O ATOM 710 OD2 ASP A 47 18.834 2.067 -1.129 1.00 0.00 O ATOM 0 H ASP A 47 15.673 -1.548 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 47 17.184 -1.524 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.946 0.324 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.857 1.441 -2.520 1.00 0.00 H new ATOM 715 N TRP A 48 14.935 -1.042 -0.216 1.00 0.00 N ATOM 716 CA TRP A 48 14.303 -0.892 1.090 1.00 0.00 C ATOM 717 C TRP A 48 14.571 -2.110 1.967 1.00 0.00 C ATOM 718 O TRP A 48 15.314 -3.013 1.581 1.00 0.00 O ATOM 719 CB TRP A 48 12.796 -0.686 0.929 1.00 0.00 C ATOM 720 CG TRP A 48 12.408 0.752 0.760 1.00 0.00 C ATOM 721 CD1 TRP A 48 13.210 1.773 0.336 1.00 0.00 C ATOM 722 CD2 TRP A 48 11.122 1.328 1.013 1.00 0.00 C ATOM 723 NE1 TRP A 48 12.500 2.949 0.310 1.00 0.00 N ATOM 724 CE2 TRP A 48 11.217 2.703 0.720 1.00 0.00 C ATOM 725 CE3 TRP A 48 9.900 0.817 1.456 1.00 0.00 C ATOM 726 CZ2 TRP A 48 10.135 3.569 0.858 1.00 0.00 C ATOM 727 CZ3 TRP A 48 8.827 1.678 1.593 1.00 0.00 C ATOM 728 CH2 TRP A 48 8.951 3.042 1.294 1.00 0.00 C ATOM 0 H TRP A 48 14.467 -1.702 -0.838 1.00 0.00 H new ATOM 0 HA TRP A 48 14.733 -0.016 1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 48 12.449 -1.252 0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.286 -1.092 1.802 1.00 0.00 H new ATOM 0 HD1 TRP A 48 14.250 1.671 0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.869 3.858 0.031 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.795 -0.233 1.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.228 4.620 0.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.878 1.294 1.936 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.094 3.689 1.410 1.00 0.00 H new ATOM 739 N SER A 49 13.961 -2.129 3.148 1.00 0.00 N ATOM 740 CA SER A 49 14.138 -3.236 4.081 1.00 0.00 C ATOM 741 C SER A 49 12.881 -4.099 4.145 1.00 0.00 C ATOM 742 O SER A 49 11.762 -3.593 4.056 1.00 0.00 O ATOM 743 CB SER A 49 14.477 -2.706 5.476 1.00 0.00 C ATOM 744 OG SER A 49 15.869 -2.478 5.610 1.00 0.00 O ATOM 0 H SER A 49 13.340 -1.391 3.481 1.00 0.00 H new ATOM 0 HA SER A 49 14.963 -3.852 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.934 -1.778 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.148 -3.421 6.230 1.00 0.00 H new ATOM 0 HG SER A 49 16.060 -2.138 6.509 1.00 0.00 H new ATOM 750 N VAL A 50 13.074 -5.405 4.300 1.00 0.00 N ATOM 751 CA VAL A 50 11.958 -6.339 4.376 1.00 0.00 C ATOM 752 C VAL A 50 10.898 -5.850 5.357 1.00 0.00 C ATOM 753 O VAL A 50 9.704 -6.080 5.163 1.00 0.00 O ATOM 754 CB VAL A 50 12.428 -7.742 4.804 1.00 0.00 C ATOM 755 CG1 VAL A 50 13.088 -7.690 6.173 1.00 0.00 C ATOM 756 CG2 VAL A 50 11.262 -8.718 4.802 1.00 0.00 C ATOM 0 H VAL A 50 13.994 -5.840 4.375 1.00 0.00 H new ATOM 0 HA VAL A 50 11.526 -6.397 3.377 1.00 0.00 H new ATOM 0 HB VAL A 50 13.167 -8.093 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.413 -8.690 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.951 -7.025 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.374 -7.318 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.612 -9.704 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.498 -8.373 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.839 -8.777 3.799 1.00 0.00 H new ATOM 766 N ARG A 51 11.342 -5.172 6.410 1.00 0.00 N ATOM 767 CA ARG A 51 10.432 -4.650 7.423 1.00 0.00 C ATOM 768 C ARG A 51 9.840 -3.314 6.984 1.00 0.00 C ATOM 769 O ARG A 51 8.632 -3.097 7.077 1.00 0.00 O ATOM 770 CB ARG A 51 11.161 -4.484 8.757 1.00 0.00 C ATOM 771 CG ARG A 51 11.293 -5.778 9.544 1.00 0.00 C ATOM 772 CD ARG A 51 12.326 -5.653 10.653 1.00 0.00 C ATOM 773 NE ARG A 51 11.883 -4.754 11.715 1.00 0.00 N ATOM 774 CZ ARG A 51 12.701 -4.222 12.616 1.00 0.00 C ATOM 775 NH1 ARG A 51 13.998 -4.497 12.584 1.00 0.00 N ATOM 776 NH2 ARG A 51 12.223 -3.413 13.553 1.00 0.00 N ATOM 0 H ARG A 51 12.327 -4.971 6.584 1.00 0.00 H new ATOM 0 HA ARG A 51 9.619 -5.365 7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.156 -4.079 8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.628 -3.752 9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.327 -6.044 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.576 -6.587 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.528 -6.638 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.264 -5.286 10.235 1.00 0.00 H new ATOM 0 HE ARG A 51 10.891 -4.522 11.768 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.370 -5.119 11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.624 -4.087 13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.226 -3.199 13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.852 -3.005 14.244 1.00 0.00 H new ATOM 790 N LYS A 52 10.700 -2.420 6.507 1.00 0.00 N ATOM 791 CA LYS A 52 10.264 -1.105 6.053 1.00 0.00 C ATOM 792 C LYS A 52 9.134 -1.227 5.035 1.00 0.00 C ATOM 793 O LYS A 52 8.120 -0.536 5.134 1.00 0.00 O ATOM 794 CB LYS A 52 11.438 -0.339 5.439 1.00 0.00 C ATOM 795 CG LYS A 52 11.214 1.161 5.365 1.00 0.00 C ATOM 796 CD LYS A 52 12.223 1.831 4.448 1.00 0.00 C ATOM 797 CE LYS A 52 12.156 3.347 4.557 1.00 0.00 C ATOM 798 NZ LYS A 52 13.283 4.005 3.841 1.00 0.00 N ATOM 0 H LYS A 52 11.704 -2.583 6.425 1.00 0.00 H new ATOM 0 HA LYS A 52 9.892 -0.555 6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.335 -0.535 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.624 -0.720 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.205 1.362 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.288 1.590 6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.227 1.491 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.035 1.531 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.210 3.699 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.175 3.637 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.201 5.037 3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.186 3.689 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.251 3.749 2.833 1.00 0.00 H new ATOM 812 N ILE A 53 9.316 -2.111 4.060 1.00 0.00 N ATOM 813 CA ILE A 53 8.311 -2.325 3.026 1.00 0.00 C ATOM 814 C ILE A 53 6.981 -2.757 3.634 1.00 0.00 C ATOM 815 O ILE A 53 5.957 -2.105 3.436 1.00 0.00 O ATOM 816 CB ILE A 53 8.768 -3.387 2.009 1.00 0.00 C ATOM 817 CG1 ILE A 53 10.060 -2.943 1.320 1.00 0.00 C ATOM 818 CG2 ILE A 53 7.674 -3.641 0.982 1.00 0.00 C ATOM 819 CD1 ILE A 53 10.616 -3.971 0.359 1.00 0.00 C ATOM 0 H ILE A 53 10.150 -2.691 3.964 1.00 0.00 H new ATOM 0 HA ILE A 53 8.180 -1.374 2.511 1.00 0.00 H new ATOM 0 HB ILE A 53 8.964 -4.318 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.874 -2.015 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.811 -2.724 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.011 -4.394 0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.776 -3.996 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.450 -2.715 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.532 -3.589 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.834 -4.893 0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.883 -4.173 -0.422 1.00 0.00 H new ATOM 831 N GLN A 54 7.006 -3.861 4.374 1.00 0.00 N ATOM 832 CA GLN A 54 5.802 -4.379 5.012 1.00 0.00 C ATOM 833 C GLN A 54 4.923 -3.242 5.522 1.00 0.00 C ATOM 834 O GLN A 54 3.719 -3.213 5.267 1.00 0.00 O ATOM 835 CB GLN A 54 6.172 -5.311 6.167 1.00 0.00 C ATOM 836 CG GLN A 54 6.541 -6.717 5.721 1.00 0.00 C ATOM 837 CD GLN A 54 6.270 -7.758 6.789 1.00 0.00 C ATOM 838 OE1 GLN A 54 6.238 -7.449 7.980 1.00 0.00 O ATOM 839 NE2 GLN A 54 6.073 -9.002 6.367 1.00 0.00 N ATOM 0 H GLN A 54 7.846 -4.413 4.546 1.00 0.00 H new ATOM 0 HA GLN A 54 5.240 -4.941 4.266 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.010 -4.881 6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.333 -5.367 6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.978 -6.969 4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.597 -6.744 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.108 -9.214 5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.886 -9.745 7.040 1.00 0.00 H new ATOM 848 N CYS A 55 5.532 -2.308 6.244 1.00 0.00 N ATOM 849 CA CYS A 55 4.805 -1.169 6.791 1.00 0.00 C ATOM 850 C CYS A 55 4.003 -0.462 5.703 1.00 0.00 C ATOM 851 O CYS A 55 2.824 -0.160 5.885 1.00 0.00 O ATOM 852 CB CYS A 55 5.775 -0.185 7.447 1.00 0.00 C ATOM 853 SG CYS A 55 4.997 0.942 8.628 1.00 0.00 S ATOM 0 H CYS A 55 6.528 -2.317 6.464 1.00 0.00 H new ATOM 0 HA CYS A 55 4.111 -1.541 7.545 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.556 -0.748 7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.263 0.402 6.668 1.00 0.00 H new ATOM 0 HG CYS A 55 5.898 1.733 9.131 1.00 0.00 H new ATOM 859 N TRP A 56 4.651 -0.200 4.574 1.00 0.00 N ATOM 860 CA TRP A 56 3.999 0.473 3.457 1.00 0.00 C ATOM 861 C TRP A 56 2.720 -0.254 3.055 1.00 0.00 C ATOM 862 O TRP A 56 1.649 0.348 2.984 1.00 0.00 O ATOM 863 CB TRP A 56 4.949 0.559 2.261 1.00 0.00 C ATOM 864 CG TRP A 56 4.372 1.305 1.097 1.00 0.00 C ATOM 865 CD1 TRP A 56 4.604 2.609 0.763 1.00 0.00 C ATOM 866 CD2 TRP A 56 3.467 0.792 0.113 1.00 0.00 C ATOM 867 NE1 TRP A 56 3.896 2.938 -0.369 1.00 0.00 N ATOM 868 CE2 TRP A 56 3.192 1.840 -0.787 1.00 0.00 C ATOM 869 CE3 TRP A 56 2.863 -0.451 -0.095 1.00 0.00 C ATOM 870 CZ2 TRP A 56 2.339 1.681 -1.876 1.00 0.00 C ATOM 871 CZ3 TRP A 56 2.017 -0.607 -1.177 1.00 0.00 C ATOM 872 CH2 TRP A 56 1.762 0.453 -2.056 1.00 0.00 C ATOM 0 H TRP A 56 5.627 -0.443 4.408 1.00 0.00 H new ATOM 0 HA TRP A 56 3.737 1.482 3.776 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.872 1.046 2.574 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.213 -0.449 1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.249 3.283 1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.895 3.851 -0.823 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.054 -1.274 0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.140 2.497 -2.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.544 -1.563 -1.347 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.097 0.298 -2.893 1.00 0.00 H new ATOM 883 N PHE A 57 2.840 -1.551 2.792 1.00 0.00 N ATOM 884 CA PHE A 57 1.693 -2.360 2.396 1.00 0.00 C ATOM 885 C PHE A 57 0.512 -2.124 3.333 1.00 0.00 C ATOM 886 O PHE A 57 -0.573 -1.739 2.896 1.00 0.00 O ATOM 887 CB PHE A 57 2.066 -3.844 2.391 1.00 0.00 C ATOM 888 CG PHE A 57 2.674 -4.305 1.097 1.00 0.00 C ATOM 889 CD1 PHE A 57 4.031 -4.152 0.861 1.00 0.00 C ATOM 890 CD2 PHE A 57 1.889 -4.890 0.117 1.00 0.00 C ATOM 891 CE1 PHE A 57 4.594 -4.575 -0.328 1.00 0.00 C ATOM 892 CE2 PHE A 57 2.446 -5.316 -1.074 1.00 0.00 C ATOM 893 CZ PHE A 57 3.800 -5.157 -1.297 1.00 0.00 C ATOM 0 H PHE A 57 3.720 -2.064 2.846 1.00 0.00 H new ATOM 0 HA PHE A 57 1.400 -2.063 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.768 -4.037 3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.173 -4.435 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.656 -3.697 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.830 -5.015 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.653 -4.451 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.824 -5.773 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.237 -5.487 -2.228 1.00 0.00 H new ATOM 903 N ARG A 58 0.731 -2.358 4.623 1.00 0.00 N ATOM 904 CA ARG A 58 -0.314 -2.173 5.621 1.00 0.00 C ATOM 905 C ARG A 58 -0.876 -0.756 5.564 1.00 0.00 C ATOM 906 O ARG A 58 -2.039 -0.524 5.896 1.00 0.00 O ATOM 907 CB ARG A 58 0.231 -2.461 7.021 1.00 0.00 C ATOM 908 CG ARG A 58 0.337 -3.943 7.341 1.00 0.00 C ATOM 909 CD ARG A 58 0.349 -4.190 8.842 1.00 0.00 C ATOM 910 NE ARG A 58 -0.985 -4.082 9.425 1.00 0.00 N ATOM 911 CZ ARG A 58 -1.234 -4.224 10.722 1.00 0.00 C ATOM 912 NH1 ARG A 58 -0.243 -4.478 11.567 1.00 0.00 N ATOM 913 NH2 ARG A 58 -2.475 -4.113 11.177 1.00 0.00 N ATOM 0 H ARG A 58 1.623 -2.676 5.001 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.119 -2.874 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.216 -2.006 7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.415 -1.984 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.501 -4.474 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.247 -4.348 6.897 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.753 -5.182 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.014 -3.472 9.322 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.769 -3.887 8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.713 -4.565 11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.437 -4.587 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.240 -3.918 10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.665 -4.222 12.173 1.00 0.00 H new ATOM 927 N HIS A 59 -0.043 0.189 5.141 1.00 0.00 N ATOM 928 CA HIS A 59 -0.456 1.584 5.041 1.00 0.00 C ATOM 929 C HIS A 59 -1.383 1.791 3.846 1.00 0.00 C ATOM 930 O HIS A 59 -2.561 2.110 4.010 1.00 0.00 O ATOM 931 CB HIS A 59 0.767 2.493 4.915 1.00 0.00 C ATOM 932 CG HIS A 59 0.519 3.898 5.372 1.00 0.00 C ATOM 933 ND1 HIS A 59 1.432 4.623 6.108 1.00 0.00 N ATOM 934 CD2 HIS A 59 -0.547 4.712 5.191 1.00 0.00 C ATOM 935 CE1 HIS A 59 0.938 5.821 6.361 1.00 0.00 C ATOM 936 NE2 HIS A 59 -0.262 5.901 5.815 1.00 0.00 N ATOM 0 H HIS A 59 0.922 0.014 4.862 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.999 1.842 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.586 2.070 5.497 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.091 2.510 3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.453 4.471 4.655 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.431 6.603 6.920 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.877 6.714 5.851 1.00 0.00 H new ATOM 945 N ARG A 60 -0.843 1.608 2.646 1.00 0.00 N ATOM 946 CA ARG A 60 -1.621 1.777 1.424 1.00 0.00 C ATOM 947 C ARG A 60 -3.060 1.312 1.628 1.00 0.00 C ATOM 948 O ARG A 60 -4.006 2.039 1.324 1.00 0.00 O ATOM 949 CB ARG A 60 -0.980 0.998 0.274 1.00 0.00 C ATOM 950 CG ARG A 60 -1.765 1.073 -1.025 1.00 0.00 C ATOM 951 CD ARG A 60 -1.759 2.481 -1.599 1.00 0.00 C ATOM 952 NE ARG A 60 -0.634 2.697 -2.506 1.00 0.00 N ATOM 953 CZ ARG A 60 -0.477 3.797 -3.233 1.00 0.00 C ATOM 954 NH1 ARG A 60 -1.368 4.777 -3.160 1.00 0.00 N ATOM 955 NH2 ARG A 60 0.573 3.920 -4.035 1.00 0.00 N ATOM 0 H ARG A 60 0.130 1.343 2.493 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.632 2.838 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.026 1.381 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.878 -0.047 0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.337 0.381 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.793 0.755 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.693 2.660 -2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.713 3.204 -0.785 1.00 0.00 H new ATOM 0 HE ARG A 60 0.069 1.963 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.176 4.687 -2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.245 5.621 -3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.261 3.169 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.692 4.766 -4.593 1.00 0.00 H new ATOM 969 N ARG A 61 -3.216 0.097 2.143 1.00 0.00 N ATOM 970 CA ARG A 61 -4.539 -0.465 2.385 1.00 0.00 C ATOM 971 C ARG A 61 -5.519 0.619 2.824 1.00 0.00 C ATOM 972 O ARG A 61 -6.577 0.794 2.222 1.00 0.00 O ATOM 973 CB ARG A 61 -4.464 -1.561 3.449 1.00 0.00 C ATOM 974 CG ARG A 61 -3.757 -2.821 2.977 1.00 0.00 C ATOM 975 CD ARG A 61 -3.902 -3.952 3.984 1.00 0.00 C ATOM 976 NE ARG A 61 -5.301 -4.302 4.215 1.00 0.00 N ATOM 977 CZ ARG A 61 -6.071 -3.698 5.114 1.00 0.00 C ATOM 978 NH1 ARG A 61 -5.579 -2.718 5.861 1.00 0.00 N ATOM 979 NH2 ARG A 61 -7.334 -4.072 5.266 1.00 0.00 N ATOM 0 H ARG A 61 -2.443 -0.517 2.401 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.898 -0.898 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.946 -1.170 4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.475 -1.819 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.168 -3.132 2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.700 -2.608 2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.363 -4.829 3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.441 -3.659 4.927 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.709 -5.051 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.608 -2.427 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.172 -2.256 6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.716 -4.824 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.924 -3.608 5.956 1.00 0.00 H new ATOM 993 N ASN A 62 -5.158 1.343 3.879 1.00 0.00 N ATOM 994 CA ASN A 62 -6.006 2.409 4.400 1.00 0.00 C ATOM 995 C ASN A 62 -6.324 3.431 3.312 1.00 0.00 C ATOM 996 O ASN A 62 -7.489 3.729 3.049 1.00 0.00 O ATOM 997 CB ASN A 62 -5.323 3.101 5.581 1.00 0.00 C ATOM 998 CG ASN A 62 -5.544 2.366 6.889 1.00 0.00 C ATOM 999 OD1 ASN A 62 -6.486 2.658 7.626 1.00 0.00 O ATOM 1000 ND2 ASN A 62 -4.675 1.406 7.182 1.00 0.00 N ATOM 0 H ASN A 62 -4.285 1.211 4.389 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.941 1.963 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.253 3.176 5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.702 4.119 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.773 0.876 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.909 1.198 6.541 1.00 0.00 H new ATOM 1007 N GLN A 63 -5.281 3.964 2.685 1.00 0.00 N ATOM 1008 CA GLN A 63 -5.450 4.953 1.626 1.00 0.00 C ATOM 1009 C GLN A 63 -6.464 4.475 0.592 1.00 0.00 C ATOM 1010 O GLN A 63 -7.358 5.221 0.194 1.00 0.00 O ATOM 1011 CB GLN A 63 -4.109 5.239 0.948 1.00 0.00 C ATOM 1012 CG GLN A 63 -4.099 6.526 0.139 1.00 0.00 C ATOM 1013 CD GLN A 63 -3.810 7.748 0.989 1.00 0.00 C ATOM 1014 OE1 GLN A 63 -4.492 8.003 1.982 1.00 0.00 O ATOM 1015 NE2 GLN A 63 -2.793 8.510 0.604 1.00 0.00 N ATOM 0 H GLN A 63 -4.310 3.728 2.891 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.824 5.872 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.330 5.292 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.858 4.405 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.349 6.450 -0.648 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.064 6.650 -0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.255 8.261 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.550 9.344 1.138 1.00 0.00 H new ATOM 1024 N ASP A 64 -6.318 3.227 0.160 1.00 0.00 N ATOM 1025 CA ASP A 64 -7.222 2.649 -0.827 1.00 0.00 C ATOM 1026 C ASP A 64 -8.675 2.796 -0.387 1.00 0.00 C ATOM 1027 O ASP A 64 -9.504 3.339 -1.117 1.00 0.00 O ATOM 1028 CB ASP A 64 -6.891 1.172 -1.050 1.00 0.00 C ATOM 1029 CG ASP A 64 -7.522 0.622 -2.314 1.00 0.00 C ATOM 1030 OD1 ASP A 64 -8.764 0.679 -2.430 1.00 0.00 O ATOM 1031 OD2 ASP A 64 -6.773 0.134 -3.187 1.00 0.00 O ATOM 0 H ASP A 64 -5.582 2.596 0.478 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.089 3.189 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.809 1.049 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.235 0.592 -0.194 1.00 0.00 H new ATOM 1036 N LYS A 65 -8.977 2.308 0.812 1.00 0.00 N ATOM 1037 CA LYS A 65 -10.329 2.385 1.351 1.00 0.00 C ATOM 1038 C LYS A 65 -10.683 3.820 1.729 1.00 0.00 C ATOM 1039 O LYS A 65 -9.827 4.615 2.117 1.00 0.00 O ATOM 1040 CB LYS A 65 -10.465 1.477 2.575 1.00 0.00 C ATOM 1041 CG LYS A 65 -10.852 0.048 2.232 1.00 0.00 C ATOM 1042 CD LYS A 65 -12.333 -0.067 1.914 1.00 0.00 C ATOM 1043 CE LYS A 65 -12.810 -1.509 1.997 1.00 0.00 C ATOM 1044 NZ LYS A 65 -12.349 -2.313 0.831 1.00 0.00 N ATOM 0 H LYS A 65 -8.303 1.855 1.429 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.021 2.049 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.520 1.468 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.214 1.896 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.268 -0.293 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.606 -0.607 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.905 0.547 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.523 0.323 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.442 -1.961 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.899 -1.529 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.694 -3.290 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.721 -1.897 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.309 -2.315 0.800 1.00 0.00 H new ATOM 1058 N PRO A 66 -11.975 4.161 1.614 1.00 0.00 N ATOM 1059 CA PRO A 66 -12.472 5.501 1.941 1.00 0.00 C ATOM 1060 C PRO A 66 -12.429 5.787 3.438 1.00 0.00 C ATOM 1061 O PRO A 66 -13.287 5.328 4.192 1.00 0.00 O ATOM 1062 CB PRO A 66 -13.920 5.473 1.444 1.00 0.00 C ATOM 1063 CG PRO A 66 -14.304 4.034 1.474 1.00 0.00 C ATOM 1064 CD PRO A 66 -13.051 3.265 1.157 1.00 0.00 C ATOM 0 HA PRO A 66 -11.865 6.283 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.570 6.069 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.001 5.883 0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.696 3.755 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.086 3.823 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.025 2.308 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.970 3.051 0.091 1.00 0.00 H new ATOM 1072 N SER A 67 -11.424 6.547 3.862 1.00 0.00 N ATOM 1073 CA SER A 67 -11.267 6.891 5.270 1.00 0.00 C ATOM 1074 C SER A 67 -11.758 8.310 5.541 1.00 0.00 C ATOM 1075 O SER A 67 -11.579 9.208 4.719 1.00 0.00 O ATOM 1076 CB SER A 67 -9.801 6.758 5.689 1.00 0.00 C ATOM 1077 OG SER A 67 -9.315 5.451 5.434 1.00 0.00 O ATOM 0 H SER A 67 -10.706 6.936 3.250 1.00 0.00 H new ATOM 0 HA SER A 67 -11.870 6.198 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.197 7.486 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.700 6.986 6.750 1.00 0.00 H new ATOM 0 HG SER A 67 -8.376 5.392 5.709 1.00 0.00 H new ATOM 1083 N GLY A 68 -12.379 8.503 6.701 1.00 0.00 N ATOM 1084 CA GLY A 68 -12.887 9.814 7.060 1.00 0.00 C ATOM 1085 C GLY A 68 -14.003 9.742 8.085 1.00 0.00 C ATOM 1086 O GLY A 68 -14.498 8.666 8.420 1.00 0.00 O ATOM 0 H GLY A 68 -12.539 7.775 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.072 10.420 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.252 10.317 6.164 1.00 0.00 H new ATOM 1090 N PRO A 69 -14.413 10.910 8.601 1.00 0.00 N ATOM 1091 CA PRO A 69 -15.481 11.002 9.601 1.00 0.00 C ATOM 1092 C PRO A 69 -16.850 10.664 9.021 1.00 0.00 C ATOM 1093 O PRO A 69 -17.651 9.978 9.654 1.00 0.00 O ATOM 1094 CB PRO A 69 -15.432 12.468 10.039 1.00 0.00 C ATOM 1095 CG PRO A 69 -14.839 13.190 8.878 1.00 0.00 C ATOM 1096 CD PRO A 69 -13.868 12.231 8.246 1.00 0.00 C ATOM 0 HA PRO A 69 -15.337 10.294 10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.428 12.845 10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.825 12.593 10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.611 13.488 8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.334 14.100 9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.815 12.367 7.166 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.859 12.367 8.634 1.00 0.00 H new ATOM 1104 N SER A 70 -17.112 11.152 7.812 1.00 0.00 N ATOM 1105 CA SER A 70 -18.386 10.904 7.147 1.00 0.00 C ATOM 1106 C SER A 70 -18.175 10.177 5.823 1.00 0.00 C ATOM 1107 O SER A 70 -17.882 10.797 4.801 1.00 0.00 O ATOM 1108 CB SER A 70 -19.124 12.222 6.906 1.00 0.00 C ATOM 1109 OG SER A 70 -18.406 13.052 6.009 1.00 0.00 O ATOM 0 H SER A 70 -16.459 11.721 7.273 1.00 0.00 H new ATOM 0 HA SER A 70 -18.990 10.271 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 70 -20.116 12.018 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 70 -19.265 12.742 7.854 1.00 0.00 H new ATOM 0 HG SER A 70 -18.067 12.513 5.264 1.00 0.00 H new ATOM 1115 N SER A 71 -18.327 8.857 5.849 1.00 0.00 N ATOM 1116 CA SER A 71 -18.150 8.043 4.652 1.00 0.00 C ATOM 1117 C SER A 71 -19.499 7.646 4.061 1.00 0.00 C ATOM 1118 O SER A 71 -20.492 7.524 4.777 1.00 0.00 O ATOM 1119 CB SER A 71 -17.335 6.789 4.978 1.00 0.00 C ATOM 1120 OG SER A 71 -16.096 7.128 5.576 1.00 0.00 O ATOM 0 H SER A 71 -18.572 8.328 6.686 1.00 0.00 H new ATOM 0 HA SER A 71 -17.610 8.638 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.903 6.147 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.158 6.219 4.066 1.00 0.00 H new ATOM 0 HG SER A 71 -15.595 6.310 5.776 1.00 0.00 H new ATOM 1126 N GLY A 72 -19.527 7.447 2.746 1.00 0.00 N ATOM 1127 CA GLY A 72 -20.758 7.067 2.079 1.00 0.00 C ATOM 1128 C GLY A 72 -21.437 5.886 2.744 1.00 0.00 C ATOM 1129 O GLY A 72 -22.665 5.806 2.778 1.00 0.00 O ATOM 0 H GLY A 72 -18.719 7.542 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -21.440 7.917 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.543 6.820 1.039 1.00 0.00 H new TER 1133 GLY A 72