USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 773 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 GLN : amide:sc= -1.12 K(o=-2,f=-6.1!) USER MOD Set 1.2: A 91 GLN : amide:sc= -0.835 X(o=-2,f=-2.1) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -6.16! K(o=-10!,f=-6.1) USER MOD Set 2.2: A 79 GLN : amide:sc= -4.28! C(o=-10!,f=-9.5!) USER MOD Single : A 0 GLY N :NH3+ -116:sc= 0.112 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -160:sc= -1.61 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -109:sc= 0.438 USER MOD Single : A 15 HIS : no HE2:sc= -6.12! K(o=-6.1!,f=-2.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.2) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= -0.241 (180deg=-1.21!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.691 USER MOD Single : A 39 CYS SG : rot -41:sc= 0.0671 USER MOD Single : A 41 SER OG : rot -58:sc= -0.434! USER MOD Single : A 45 THR OG1 : rot -172:sc= -1.01 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 1.17 K(o=1.2,f=-0.37) USER MOD Single : A 75 SER OG : rot -81:sc= 1.04 USER MOD Single : A 80 GLN : amide:sc= -0.857 X(o=-0.86,f=-0.94) USER MOD Single : A 82 TYR OH : rot 110:sc= -0.0297 USER MOD Single : A 84 THR OG1 : rot 75:sc= 0.572 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -8:sc= 1.09 USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -0.0149 (180deg=-0.522) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.023 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -23.914 -10.422 -0.866 1.00 0.00 N ATOM 2 CA GLY A 0 -22.685 -10.226 -1.615 1.00 0.00 C ATOM 3 C GLY A 0 -22.467 -8.746 -1.936 1.00 0.00 C ATOM 4 O GLY A 0 -23.385 -7.938 -1.806 1.00 0.00 O ATOM 0 H1 GLY A 0 -23.689 -10.794 0.079 1.00 0.00 H new ATOM 0 H2 GLY A 0 -24.412 -9.514 -0.771 1.00 0.00 H new ATOM 0 H3 GLY A 0 -24.523 -11.099 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -21.840 -10.605 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -22.724 -10.800 -2.541 1.00 0.00 H new ATOM 8 N SER A 1 -21.247 -8.436 -2.348 1.00 0.00 N ATOM 9 CA SER A 1 -20.897 -7.068 -2.688 1.00 0.00 C ATOM 10 C SER A 1 -21.397 -6.734 -4.095 1.00 0.00 C ATOM 11 O SER A 1 -21.452 -7.606 -4.961 1.00 0.00 O ATOM 12 CB SER A 1 -19.386 -6.846 -2.595 1.00 0.00 C ATOM 13 OG SER A 1 -19.002 -6.306 -1.334 1.00 0.00 O ATOM 0 H SER A 1 -20.488 -9.109 -2.454 1.00 0.00 H new ATOM 0 HA SER A 1 -21.379 -6.404 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.870 -7.793 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.069 -6.171 -3.390 1.00 0.00 H new ATOM 0 HG SER A 1 -18.030 -6.181 -1.314 1.00 0.00 H new ATOM 19 N SER A 2 -21.747 -5.469 -4.279 1.00 0.00 N ATOM 20 CA SER A 2 -22.241 -5.010 -5.566 1.00 0.00 C ATOM 21 C SER A 2 -21.159 -5.184 -6.634 1.00 0.00 C ATOM 22 O SER A 2 -21.413 -5.757 -7.693 1.00 0.00 O ATOM 23 CB SER A 2 -22.686 -3.548 -5.495 1.00 0.00 C ATOM 24 OG SER A 2 -23.350 -3.134 -6.686 1.00 0.00 O ATOM 0 H SER A 2 -21.698 -4.748 -3.559 1.00 0.00 H new ATOM 0 HA SER A 2 -23.108 -5.613 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.352 -3.413 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.817 -2.912 -5.325 1.00 0.00 H new ATOM 0 HG SER A 2 -23.620 -2.196 -6.601 1.00 0.00 H new ATOM 30 N GLY A 3 -19.975 -4.679 -6.319 1.00 0.00 N ATOM 31 CA GLY A 3 -18.854 -4.772 -7.239 1.00 0.00 C ATOM 32 C GLY A 3 -17.786 -3.726 -6.909 1.00 0.00 C ATOM 33 O GLY A 3 -17.154 -3.791 -5.856 1.00 0.00 O ATOM 0 H GLY A 3 -19.768 -4.204 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.419 -5.770 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.205 -4.629 -8.261 1.00 0.00 H new ATOM 37 N SER A 4 -17.619 -2.787 -7.828 1.00 0.00 N ATOM 38 CA SER A 4 -16.640 -1.729 -7.648 1.00 0.00 C ATOM 39 C SER A 4 -15.241 -2.331 -7.503 1.00 0.00 C ATOM 40 O SER A 4 -14.875 -2.809 -6.430 1.00 0.00 O ATOM 41 CB SER A 4 -16.976 -0.868 -6.429 1.00 0.00 C ATOM 42 OG SER A 4 -17.910 0.161 -6.743 1.00 0.00 O ATOM 0 H SER A 4 -18.146 -2.737 -8.700 1.00 0.00 H new ATOM 0 HA SER A 4 -16.664 -1.088 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.384 -1.500 -5.640 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.062 -0.421 -6.038 1.00 0.00 H new ATOM 0 HG SER A 4 -18.100 0.687 -5.938 1.00 0.00 H new ATOM 48 N SER A 5 -14.496 -2.288 -8.598 1.00 0.00 N ATOM 49 CA SER A 5 -13.145 -2.823 -8.606 1.00 0.00 C ATOM 50 C SER A 5 -12.316 -2.134 -9.691 1.00 0.00 C ATOM 51 O SER A 5 -12.849 -1.733 -10.725 1.00 0.00 O ATOM 52 CB SER A 5 -13.154 -4.337 -8.826 1.00 0.00 C ATOM 53 OG SER A 5 -12.369 -5.022 -7.854 1.00 0.00 O ATOM 0 H SER A 5 -14.803 -1.891 -9.486 1.00 0.00 H new ATOM 0 HA SER A 5 -12.693 -2.627 -7.633 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.180 -4.703 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.774 -4.561 -9.823 1.00 0.00 H new ATOM 0 HG SER A 5 -12.402 -5.986 -8.028 1.00 0.00 H new ATOM 59 N GLY A 6 -11.024 -2.017 -9.419 1.00 0.00 N ATOM 60 CA GLY A 6 -10.116 -1.383 -10.360 1.00 0.00 C ATOM 61 C GLY A 6 -8.661 -1.559 -9.921 1.00 0.00 C ATOM 62 O GLY A 6 -8.268 -2.639 -9.483 1.00 0.00 O ATOM 0 H GLY A 6 -10.585 -2.350 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.255 -1.814 -11.352 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.350 -0.321 -10.438 1.00 0.00 H new ATOM 66 N THR A 7 -7.902 -0.482 -10.053 1.00 0.00 N ATOM 67 CA THR A 7 -6.499 -0.504 -9.676 1.00 0.00 C ATOM 68 C THR A 7 -6.357 -0.590 -8.155 1.00 0.00 C ATOM 69 O THR A 7 -7.323 -0.374 -7.424 1.00 0.00 O ATOM 70 CB THR A 7 -5.827 0.731 -10.279 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.863 1.709 -10.311 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.455 0.535 -11.750 1.00 0.00 C ATOM 0 H THR A 7 -8.232 0.412 -10.416 1.00 0.00 H new ATOM 0 HA THR A 7 -5.998 -1.389 -10.069 1.00 0.00 H new ATOM 0 HB THR A 7 -4.931 0.973 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.631 2.411 -10.954 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.981 1.441 -12.129 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.763 -0.302 -11.842 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.355 0.327 -12.328 1.00 0.00 H new ATOM 80 N PRO A 8 -5.113 -0.914 -7.711 1.00 0.00 N ATOM 81 CA PRO A 8 -4.833 -1.031 -6.290 1.00 0.00 C ATOM 82 C PRO A 8 -4.746 0.348 -5.632 1.00 0.00 C ATOM 83 O PRO A 8 -5.302 0.562 -4.556 1.00 0.00 O ATOM 84 CB PRO A 8 -3.530 -1.810 -6.209 1.00 0.00 C ATOM 85 CG PRO A 8 -2.891 -1.698 -7.583 1.00 0.00 C ATOM 86 CD PRO A 8 -3.945 -1.176 -8.546 1.00 0.00 C ATOM 0 HA PRO A 8 -5.625 -1.546 -5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.876 -1.399 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.714 -2.852 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.035 -1.024 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.521 -2.669 -7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.607 -0.270 -9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.169 -1.908 -9.322 1.00 0.00 H new ATOM 94 N LEU A 9 -4.045 1.247 -6.307 1.00 0.00 N ATOM 95 CA LEU A 9 -3.878 2.599 -5.802 1.00 0.00 C ATOM 96 C LEU A 9 -5.234 3.309 -5.800 1.00 0.00 C ATOM 97 O LEU A 9 -5.549 4.050 -4.870 1.00 0.00 O ATOM 98 CB LEU A 9 -2.798 3.338 -6.595 1.00 0.00 C ATOM 99 CG LEU A 9 -2.692 4.843 -6.342 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.518 5.138 -4.851 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.574 5.463 -7.183 1.00 0.00 C ATOM 0 H LEU A 9 -3.586 1.065 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.526 2.580 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.834 2.883 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.984 3.180 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.627 5.308 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.445 6.215 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.376 4.751 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.609 4.658 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.520 6.533 -6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.623 4.997 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.781 5.300 -8.241 1.00 0.00 H new ATOM 113 N SER A 10 -5.999 3.057 -6.852 1.00 0.00 N ATOM 114 CA SER A 10 -7.313 3.663 -6.984 1.00 0.00 C ATOM 115 C SER A 10 -8.283 3.032 -5.983 1.00 0.00 C ATOM 116 O SER A 10 -9.111 3.725 -5.394 1.00 0.00 O ATOM 117 CB SER A 10 -7.849 3.513 -8.409 1.00 0.00 C ATOM 118 OG SER A 10 -8.807 4.518 -8.728 1.00 0.00 O ATOM 0 H SER A 10 -5.734 2.441 -7.621 1.00 0.00 H new ATOM 0 HA SER A 10 -7.221 4.728 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.020 3.565 -9.115 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.304 2.529 -8.523 1.00 0.00 H new ATOM 0 HG SER A 10 -9.124 4.388 -9.646 1.00 0.00 H new ATOM 124 N LEU A 11 -8.148 1.724 -5.821 1.00 0.00 N ATOM 125 CA LEU A 11 -9.002 0.991 -4.902 1.00 0.00 C ATOM 126 C LEU A 11 -8.735 1.470 -3.473 1.00 0.00 C ATOM 127 O LEU A 11 -9.668 1.782 -2.735 1.00 0.00 O ATOM 128 CB LEU A 11 -8.821 -0.517 -5.089 1.00 0.00 C ATOM 129 CG LEU A 11 -9.665 -1.162 -6.190 1.00 0.00 C ATOM 130 CD1 LEU A 11 -9.273 -2.627 -6.394 1.00 0.00 C ATOM 131 CD2 LEU A 11 -11.159 -1.003 -5.900 1.00 0.00 C ATOM 0 H LEU A 11 -7.460 1.153 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.052 1.191 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.770 -0.713 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.052 -1.011 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.462 -0.641 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.888 -3.062 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.223 -2.686 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.429 -3.178 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.736 -1.470 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.398 -1.482 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.408 0.057 -5.845 1.00 0.00 H new ATOM 143 N THR A 12 -7.457 1.513 -3.127 1.00 0.00 N ATOM 144 CA THR A 12 -7.055 1.948 -1.800 1.00 0.00 C ATOM 145 C THR A 12 -7.551 3.371 -1.533 1.00 0.00 C ATOM 146 O THR A 12 -7.972 3.687 -0.422 1.00 0.00 O ATOM 147 CB THR A 12 -5.536 1.805 -1.695 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.053 2.302 -2.940 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.086 0.342 -1.677 1.00 0.00 C ATOM 0 H THR A 12 -6.686 1.254 -3.743 1.00 0.00 H new ATOM 0 HA THR A 12 -7.508 1.328 -1.026 1.00 0.00 H new ATOM 0 HB THR A 12 -5.186 2.304 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.706 1.559 -3.477 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.000 0.296 -1.601 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.531 -0.165 -0.821 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.407 -0.149 -2.596 1.00 0.00 H new ATOM 157 N LEU A 13 -7.484 4.191 -2.571 1.00 0.00 N ATOM 158 CA LEU A 13 -7.921 5.573 -2.463 1.00 0.00 C ATOM 159 C LEU A 13 -9.444 5.613 -2.328 1.00 0.00 C ATOM 160 O LEU A 13 -9.979 6.355 -1.506 1.00 0.00 O ATOM 161 CB LEU A 13 -7.386 6.397 -3.636 1.00 0.00 C ATOM 162 CG LEU A 13 -5.877 6.654 -3.642 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.400 7.085 -5.030 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.489 7.666 -2.562 1.00 0.00 C ATOM 0 H LEU A 13 -7.134 3.925 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.509 6.034 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.652 5.888 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.898 7.359 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.370 5.719 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.325 7.261 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.623 6.299 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.912 8.002 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.412 7.831 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.005 8.609 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.774 7.281 -1.583 1.00 0.00 H new ATOM 176 N ASP A 14 -10.100 4.805 -3.148 1.00 0.00 N ATOM 177 CA ASP A 14 -11.552 4.738 -3.131 1.00 0.00 C ATOM 178 C ASP A 14 -12.024 4.365 -1.724 1.00 0.00 C ATOM 179 O ASP A 14 -13.061 4.843 -1.267 1.00 0.00 O ATOM 180 CB ASP A 14 -12.066 3.672 -4.100 1.00 0.00 C ATOM 181 CG ASP A 14 -12.311 4.161 -5.529 1.00 0.00 C ATOM 182 OD1 ASP A 14 -12.087 5.368 -5.762 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.716 3.316 -6.356 1.00 0.00 O ATOM 0 H ASP A 14 -9.653 4.191 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.938 5.713 -3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.347 2.853 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.997 3.264 -3.707 1.00 0.00 H new ATOM 188 N HIS A 15 -11.240 3.516 -1.077 1.00 0.00 N ATOM 189 CA HIS A 15 -11.565 3.073 0.268 1.00 0.00 C ATOM 190 C HIS A 15 -10.558 3.661 1.259 1.00 0.00 C ATOM 191 O HIS A 15 -10.127 2.981 2.189 1.00 0.00 O ATOM 192 CB HIS A 15 -11.641 1.547 0.335 1.00 0.00 C ATOM 193 CG HIS A 15 -12.904 0.968 -0.257 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.169 1.354 0.152 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.083 0.030 -1.231 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.061 0.671 -0.550 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.387 -0.149 -1.406 1.00 0.00 N ATOM 0 H HIS A 15 -10.380 3.123 -1.459 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.553 3.440 0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.781 1.127 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.564 1.235 1.377 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.379 2.046 0.871 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.298 -0.480 -1.769 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.134 0.750 -0.460 1.00 0.00 H new ATOM 205 N TRP A 16 -10.212 4.918 1.026 1.00 0.00 N ATOM 206 CA TRP A 16 -9.264 5.605 1.886 1.00 0.00 C ATOM 207 C TRP A 16 -9.705 5.399 3.337 1.00 0.00 C ATOM 208 O TRP A 16 -8.872 5.219 4.223 1.00 0.00 O ATOM 209 CB TRP A 16 -9.144 7.081 1.502 1.00 0.00 C ATOM 210 CG TRP A 16 -8.150 7.869 2.358 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.369 8.995 3.051 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.763 7.541 2.587 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.230 9.416 3.706 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.222 8.503 3.415 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.992 6.467 2.109 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.888 8.488 3.838 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.660 6.467 2.541 1.00 0.00 C ATOM 218 CH2 TRP A 16 -4.100 7.428 3.375 1.00 0.00 C ATOM 0 H TRP A 16 -10.571 5.479 0.254 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.263 5.190 1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.842 7.150 0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.126 7.547 1.582 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.318 9.509 3.092 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -7.143 10.244 4.295 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.395 5.703 1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.488 9.253 4.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.023 5.664 2.202 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.062 7.357 3.664 1.00 0.00 H new ATOM 229 N SER A 17 -11.015 5.432 3.533 1.00 0.00 N ATOM 230 CA SER A 17 -11.578 5.251 4.860 1.00 0.00 C ATOM 231 C SER A 17 -11.045 3.959 5.483 1.00 0.00 C ATOM 232 O SER A 17 -10.819 3.895 6.690 1.00 0.00 O ATOM 233 CB SER A 17 -13.107 5.225 4.812 1.00 0.00 C ATOM 234 OG SER A 17 -13.651 6.491 4.447 1.00 0.00 O ATOM 0 H SER A 17 -11.703 5.581 2.795 1.00 0.00 H new ATOM 0 HA SER A 17 -11.275 6.097 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.435 4.470 4.097 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.495 4.931 5.787 1.00 0.00 H new ATOM 0 HG SER A 17 -14.629 6.433 4.426 1.00 0.00 H new ATOM 240 N GLU A 18 -10.859 2.962 4.630 1.00 0.00 N ATOM 241 CA GLU A 18 -10.357 1.675 5.082 1.00 0.00 C ATOM 242 C GLU A 18 -8.852 1.755 5.343 1.00 0.00 C ATOM 243 O GLU A 18 -8.357 1.193 6.319 1.00 0.00 O ATOM 244 CB GLU A 18 -10.680 0.575 4.069 1.00 0.00 C ATOM 245 CG GLU A 18 -9.800 -0.656 4.298 1.00 0.00 C ATOM 246 CD GLU A 18 -10.521 -1.934 3.862 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.691 -1.810 3.439 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.885 -3.005 3.960 1.00 0.00 O ATOM 0 H GLU A 18 -11.047 3.019 3.629 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.855 1.420 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.730 0.296 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.529 0.951 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.869 -0.551 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.534 -0.726 5.353 1.00 0.00 H new ATOM 255 N ILE A 19 -8.166 2.457 4.454 1.00 0.00 N ATOM 256 CA ILE A 19 -6.727 2.618 4.576 1.00 0.00 C ATOM 257 C ILE A 19 -6.414 3.439 5.828 1.00 0.00 C ATOM 258 O ILE A 19 -5.416 3.192 6.504 1.00 0.00 O ATOM 259 CB ILE A 19 -6.142 3.208 3.291 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.700 2.496 2.057 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.613 3.186 3.323 1.00 0.00 C ATOM 262 CD1 ILE A 19 -6.184 1.058 1.974 1.00 0.00 C ATOM 0 H ILE A 19 -8.580 2.921 3.646 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.245 1.648 4.702 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.447 4.252 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.789 2.494 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.414 3.041 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.224 3.611 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.258 3.774 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.266 2.158 3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.596 0.574 1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.096 1.065 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.493 0.509 2.864 1.00 0.00 H new ATOM 274 N ARG A 20 -7.285 4.400 6.100 1.00 0.00 N ATOM 275 CA ARG A 20 -7.115 5.259 7.259 1.00 0.00 C ATOM 276 C ARG A 20 -7.387 4.477 8.545 1.00 0.00 C ATOM 277 O ARG A 20 -6.874 4.823 9.607 1.00 0.00 O ATOM 278 CB ARG A 20 -8.055 6.464 7.194 1.00 0.00 C ATOM 279 CG ARG A 20 -7.620 7.442 6.100 1.00 0.00 C ATOM 280 CD ARG A 20 -8.033 8.873 6.449 1.00 0.00 C ATOM 281 NE ARG A 20 -9.308 9.210 5.778 1.00 0.00 N ATOM 282 CZ ARG A 20 -9.873 10.424 5.803 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.279 11.426 6.467 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.032 10.638 5.166 1.00 0.00 N ATOM 0 H ARG A 20 -8.111 4.602 5.537 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.085 5.616 7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.073 6.125 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.067 6.973 8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.539 7.393 5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.067 7.152 5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.143 8.976 7.529 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.254 9.571 6.140 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.787 8.471 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.397 11.264 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.709 12.351 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.485 9.876 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.462 11.563 5.186 1.00 0.00 H new ATOM 298 N SER A 21 -8.196 3.436 8.406 1.00 0.00 N ATOM 299 CA SER A 21 -8.543 2.601 9.544 1.00 0.00 C ATOM 300 C SER A 21 -7.392 1.644 9.860 1.00 0.00 C ATOM 301 O SER A 21 -7.043 1.451 11.024 1.00 0.00 O ATOM 302 CB SER A 21 -9.829 1.816 9.279 1.00 0.00 C ATOM 303 OG SER A 21 -10.815 2.054 10.279 1.00 0.00 O ATOM 0 H SER A 21 -8.621 3.152 7.523 1.00 0.00 H new ATOM 0 HA SER A 21 -8.716 3.248 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.228 2.093 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.602 0.751 9.240 1.00 0.00 H new ATOM 0 HG SER A 21 -11.621 1.536 10.073 1.00 0.00 H new ATOM 309 N ARG A 22 -6.836 1.068 8.804 1.00 0.00 N ATOM 310 CA ARG A 22 -5.732 0.135 8.955 1.00 0.00 C ATOM 311 C ARG A 22 -4.593 0.784 9.745 1.00 0.00 C ATOM 312 O ARG A 22 -3.875 0.104 10.477 1.00 0.00 O ATOM 313 CB ARG A 22 -5.205 -0.320 7.593 1.00 0.00 C ATOM 314 CG ARG A 22 -6.283 -1.075 6.812 1.00 0.00 C ATOM 315 CD ARG A 22 -6.374 -2.531 7.272 1.00 0.00 C ATOM 316 NE ARG A 22 -6.707 -3.404 6.125 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.136 -4.668 6.242 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.287 -5.215 7.456 1.00 0.00 N ATOM 319 NH2 ARG A 22 -7.414 -5.386 5.145 1.00 0.00 N ATOM 0 H ARG A 22 -7.129 1.229 7.841 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.104 -0.735 9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.874 0.546 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.335 -0.962 7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.247 -0.585 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.057 -1.040 5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.427 -2.842 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.134 -2.629 8.047 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.604 -3.019 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.075 -4.669 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.614 -6.177 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.299 -4.970 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.741 -6.348 5.234 1.00 0.00 H new ATOM 333 N ALA A 23 -4.463 2.090 9.569 1.00 0.00 N ATOM 334 CA ALA A 23 -3.423 2.838 10.255 1.00 0.00 C ATOM 335 C ALA A 23 -3.826 3.038 11.718 1.00 0.00 C ATOM 336 O ALA A 23 -2.996 2.912 12.617 1.00 0.00 O ATOM 337 CB ALA A 23 -3.184 4.164 9.530 1.00 0.00 C ATOM 0 H ALA A 23 -5.061 2.650 8.961 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.483 2.287 10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.404 4.725 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.872 3.967 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.105 4.746 9.524 1.00 0.00 H new ATOM 343 N HIS A 24 -5.100 3.345 11.911 1.00 0.00 N ATOM 344 CA HIS A 24 -5.623 3.563 13.249 1.00 0.00 C ATOM 345 C HIS A 24 -5.348 2.332 14.114 1.00 0.00 C ATOM 346 O HIS A 24 -4.871 2.455 15.242 1.00 0.00 O ATOM 347 CB HIS A 24 -7.107 3.933 13.199 1.00 0.00 C ATOM 348 CG HIS A 24 -7.460 5.166 13.996 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.735 5.408 14.478 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.692 6.222 14.390 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.723 6.561 15.130 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.457 7.064 15.075 1.00 0.00 N ATOM 0 H HIS A 24 -5.786 3.448 11.163 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.113 4.409 13.709 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.397 4.089 12.160 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.693 3.093 13.571 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.640 6.351 14.180 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.568 7.022 15.619 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.148 7.942 15.491 1.00 0.00 H new ATOM 360 N ASN A 25 -5.660 1.173 13.554 1.00 0.00 N ATOM 361 CA ASN A 25 -5.453 -0.080 14.261 1.00 0.00 C ATOM 362 C ASN A 25 -3.951 -0.322 14.430 1.00 0.00 C ATOM 363 O ASN A 25 -3.525 -0.943 15.402 1.00 0.00 O ATOM 364 CB ASN A 25 -6.036 -1.257 13.477 1.00 0.00 C ATOM 365 CG ASN A 25 -6.996 -2.072 14.347 1.00 0.00 C ATOM 366 OD1 ASN A 25 -6.601 -2.942 15.106 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.276 -1.744 14.193 1.00 0.00 N ATOM 0 H ASN A 25 -6.055 1.075 12.619 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.951 -0.009 15.228 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.562 -0.888 12.596 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.229 -1.897 13.121 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.995 -2.231 14.728 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.538 -1.005 13.540 1.00 0.00 H new ATOM 374 N LEU A 26 -3.191 0.182 13.469 1.00 0.00 N ATOM 375 CA LEU A 26 -1.747 0.028 13.500 1.00 0.00 C ATOM 376 C LEU A 26 -1.134 1.166 14.319 1.00 0.00 C ATOM 377 O LEU A 26 0.085 1.242 14.467 1.00 0.00 O ATOM 378 CB LEU A 26 -1.189 -0.076 12.079 1.00 0.00 C ATOM 379 CG LEU A 26 -1.609 -1.312 11.282 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.362 -1.110 9.785 1.00 0.00 C ATOM 381 CD2 LEU A 26 -0.916 -2.569 11.813 1.00 0.00 C ATOM 0 H LEU A 26 -3.548 0.697 12.664 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.474 -0.904 13.995 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.495 0.811 11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.101 -0.057 12.135 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.681 -1.455 11.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.669 -2.004 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.939 -0.255 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.301 -0.927 9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.232 -3.433 11.229 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.164 -2.451 11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.186 -2.719 12.858 1.00 0.00 H new ATOM 393 N SER A 27 -2.007 2.021 14.830 1.00 0.00 N ATOM 394 CA SER A 27 -1.568 3.151 15.630 1.00 0.00 C ATOM 395 C SER A 27 -0.616 4.030 14.817 1.00 0.00 C ATOM 396 O SER A 27 0.430 4.445 15.314 1.00 0.00 O ATOM 397 CB SER A 27 -0.887 2.682 16.918 1.00 0.00 C ATOM 398 OG SER A 27 -1.743 1.858 17.704 1.00 0.00 O ATOM 0 H SER A 27 -3.017 1.954 14.705 1.00 0.00 H new ATOM 0 HA SER A 27 -2.445 3.736 15.906 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.019 2.130 16.669 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.581 3.549 17.503 1.00 0.00 H new ATOM 0 HG SER A 27 -1.272 1.578 18.516 1.00 0.00 H new ATOM 404 N VAL A 28 -1.012 4.289 13.579 1.00 0.00 N ATOM 405 CA VAL A 28 -0.207 5.111 12.692 1.00 0.00 C ATOM 406 C VAL A 28 -1.120 6.072 11.927 1.00 0.00 C ATOM 407 O VAL A 28 -2.312 5.812 11.774 1.00 0.00 O ATOM 408 CB VAL A 28 0.631 4.221 11.771 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.659 3.419 12.571 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.261 3.296 10.942 1.00 0.00 C ATOM 0 H VAL A 28 -1.880 3.944 13.170 1.00 0.00 H new ATOM 0 HA VAL A 28 0.496 5.716 13.264 1.00 0.00 H new ATOM 0 HB VAL A 28 1.173 4.869 11.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.241 2.795 11.893 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.325 4.103 13.097 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.144 2.787 13.294 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.360 2.675 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.843 2.659 11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.936 3.894 10.330 1.00 0.00 H new ATOM 420 N GLU A 29 -0.524 7.162 11.466 1.00 0.00 N ATOM 421 CA GLU A 29 -1.268 8.163 10.720 1.00 0.00 C ATOM 422 C GLU A 29 -0.677 8.329 9.319 1.00 0.00 C ATOM 423 O GLU A 29 0.541 8.293 9.146 1.00 0.00 O ATOM 424 CB GLU A 29 -1.291 9.498 11.467 1.00 0.00 C ATOM 425 CG GLU A 29 -2.651 10.183 11.324 1.00 0.00 C ATOM 426 CD GLU A 29 -2.924 11.114 12.507 1.00 0.00 C ATOM 427 OE1 GLU A 29 -2.516 12.291 12.408 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.534 10.627 13.483 1.00 0.00 O ATOM 0 H GLU A 29 0.465 7.374 11.595 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.298 7.822 10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.072 9.332 12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.509 10.150 11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.679 10.752 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.436 9.430 11.261 1.00 0.00 H new ATOM 435 N ILE A 30 -1.566 8.506 8.353 1.00 0.00 N ATOM 436 CA ILE A 30 -1.148 8.678 6.972 1.00 0.00 C ATOM 437 C ILE A 30 -2.081 9.674 6.281 1.00 0.00 C ATOM 438 O ILE A 30 -3.149 9.994 6.802 1.00 0.00 O ATOM 439 CB ILE A 30 -1.063 7.323 6.266 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.421 6.618 6.269 1.00 0.00 C ATOM 441 CG2 ILE A 30 0.036 6.453 6.879 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.293 5.180 5.760 1.00 0.00 C ATOM 0 H ILE A 30 -2.575 8.534 8.499 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.143 9.099 6.927 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.792 7.497 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.831 6.615 7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.122 7.169 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.075 5.496 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.997 6.958 6.782 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.180 6.284 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.272 4.701 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.906 5.188 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.610 4.626 6.404 1.00 0.00 H new ATOM 454 N LYS A 31 -1.644 10.137 5.119 1.00 0.00 N ATOM 455 CA LYS A 31 -2.427 11.091 4.352 1.00 0.00 C ATOM 456 C LYS A 31 -2.717 10.509 2.967 1.00 0.00 C ATOM 457 O LYS A 31 -2.127 9.502 2.577 1.00 0.00 O ATOM 458 CB LYS A 31 -1.726 12.451 4.313 1.00 0.00 C ATOM 459 CG LYS A 31 -2.233 13.361 5.433 1.00 0.00 C ATOM 460 CD LYS A 31 -2.523 14.768 4.908 1.00 0.00 C ATOM 461 CE LYS A 31 -1.524 15.781 5.472 1.00 0.00 C ATOM 462 NZ LYS A 31 -2.085 16.454 6.665 1.00 0.00 N ATOM 0 H LYS A 31 -0.758 9.869 4.690 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.389 11.268 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.649 12.312 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.899 12.926 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.138 12.938 5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.490 13.412 6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.474 14.771 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.537 15.060 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.595 15.276 5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.279 16.522 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.394 17.138 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.960 16.952 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.296 15.745 7.396 1.00 0.00 H new ATOM 476 N LYS A 32 -3.626 11.167 2.262 1.00 0.00 N ATOM 477 CA LYS A 32 -4.002 10.727 0.929 1.00 0.00 C ATOM 478 C LYS A 32 -3.034 11.328 -0.093 1.00 0.00 C ATOM 479 O LYS A 32 -2.620 10.651 -1.032 1.00 0.00 O ATOM 480 CB LYS A 32 -5.470 11.052 0.652 1.00 0.00 C ATOM 481 CG LYS A 32 -5.940 10.401 -0.650 1.00 0.00 C ATOM 482 CD LYS A 32 -7.162 9.513 -0.410 1.00 0.00 C ATOM 483 CE LYS A 32 -8.450 10.229 -0.819 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.402 10.605 -2.250 1.00 0.00 N ATOM 0 H LYS A 32 -4.113 12.001 2.589 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.920 9.643 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.086 10.702 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.602 12.132 0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.185 11.173 -1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.132 9.806 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.060 8.588 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.214 9.237 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.307 9.581 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.588 11.120 -0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.353 10.524 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.067 11.586 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.751 9.969 -2.754 1.00 0.00 H new ATOM 498 N GLY A 33 -2.704 12.592 0.126 1.00 0.00 N ATOM 499 CA GLY A 33 -1.793 13.292 -0.765 1.00 0.00 C ATOM 500 C GLY A 33 -0.480 12.523 -0.921 1.00 0.00 C ATOM 501 O GLY A 33 -0.024 12.285 -2.038 1.00 0.00 O ATOM 0 H GLY A 33 -3.050 13.150 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.261 13.421 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.590 14.289 -0.374 1.00 0.00 H new ATOM 505 N PRO A 34 0.108 12.146 0.247 1.00 0.00 N ATOM 506 CA PRO A 34 1.360 11.410 0.251 1.00 0.00 C ATOM 507 C PRO A 34 1.138 9.949 -0.149 1.00 0.00 C ATOM 508 O PRO A 34 1.921 9.385 -0.912 1.00 0.00 O ATOM 509 CB PRO A 34 1.902 11.563 1.663 1.00 0.00 C ATOM 510 CG PRO A 34 0.719 11.983 2.520 1.00 0.00 C ATOM 511 CD PRO A 34 -0.403 12.411 1.589 1.00 0.00 C ATOM 0 HA PRO A 34 2.074 11.791 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.330 10.627 2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.695 12.310 1.698 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.395 11.158 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.999 12.802 3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.316 11.848 1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.645 13.466 1.719 1.00 0.00 H new ATOM 519 N TRP A 35 0.068 9.379 0.385 1.00 0.00 N ATOM 520 CA TRP A 35 -0.266 7.995 0.094 1.00 0.00 C ATOM 521 C TRP A 35 -0.208 7.804 -1.423 1.00 0.00 C ATOM 522 O TRP A 35 0.265 6.776 -1.905 1.00 0.00 O ATOM 523 CB TRP A 35 -1.624 7.622 0.692 1.00 0.00 C ATOM 524 CG TRP A 35 -2.164 6.272 0.215 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.821 6.001 -0.921 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.066 5.012 0.911 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.153 4.665 -1.008 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.678 4.044 0.142 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.479 4.700 2.150 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.763 2.700 0.526 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.572 3.353 2.519 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.185 2.366 1.756 1.00 0.00 C ATOM 0 H TRP A 35 -0.579 9.850 1.017 1.00 0.00 H new ATOM 0 HA TRP A 35 0.452 7.319 0.558 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.539 7.604 1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.346 8.400 0.442 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.061 6.737 -1.674 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.654 4.216 -1.774 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.995 5.441 2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.249 1.961 -0.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.137 3.060 3.463 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.215 1.346 2.111 1.00 0.00 H new ATOM 543 N ARG A 36 -0.697 8.811 -2.133 1.00 0.00 N ATOM 544 CA ARG A 36 -0.707 8.766 -3.586 1.00 0.00 C ATOM 545 C ARG A 36 0.695 9.041 -4.134 1.00 0.00 C ATOM 546 O ARG A 36 1.186 8.304 -4.988 1.00 0.00 O ATOM 547 CB ARG A 36 -1.682 9.794 -4.161 1.00 0.00 C ATOM 548 CG ARG A 36 -1.913 9.555 -5.655 1.00 0.00 C ATOM 549 CD ARG A 36 -3.395 9.694 -6.009 1.00 0.00 C ATOM 550 NE ARG A 36 -3.598 10.873 -6.881 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.777 11.486 -7.052 1.00 0.00 C ATOM 552 NH1 ARG A 36 -5.866 11.036 -6.414 1.00 0.00 N ATOM 553 NH2 ARG A 36 -4.868 12.550 -7.862 1.00 0.00 N ATOM 0 H ARG A 36 -1.089 9.662 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.029 7.769 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.632 9.737 -3.629 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.290 10.799 -4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.328 10.268 -6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.562 8.559 -5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.743 8.793 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.987 9.798 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.790 11.242 -7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.798 10.226 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.763 11.503 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.040 12.893 -8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.766 13.017 -7.992 1.00 0.00 H new ATOM 567 N THR A 37 1.300 10.102 -3.621 1.00 0.00 N ATOM 568 CA THR A 37 2.635 10.483 -4.049 1.00 0.00 C ATOM 569 C THR A 37 3.599 9.304 -3.900 1.00 0.00 C ATOM 570 O THR A 37 4.298 8.945 -4.846 1.00 0.00 O ATOM 571 CB THR A 37 3.055 11.716 -3.248 1.00 0.00 C ATOM 572 OG1 THR A 37 2.235 12.761 -3.765 1.00 0.00 O ATOM 573 CG2 THR A 37 4.480 12.168 -3.572 1.00 0.00 C ATOM 0 H THR A 37 0.890 10.710 -2.912 1.00 0.00 H new ATOM 0 HA THR A 37 2.652 10.745 -5.107 1.00 0.00 H new ATOM 0 HB THR A 37 2.976 11.500 -2.182 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.378 12.770 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.727 13.047 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.178 11.364 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.551 12.416 -4.631 1.00 0.00 H new ATOM 581 N PHE A 38 3.606 8.735 -2.703 1.00 0.00 N ATOM 582 CA PHE A 38 4.473 7.604 -2.418 1.00 0.00 C ATOM 583 C PHE A 38 4.202 6.448 -3.382 1.00 0.00 C ATOM 584 O PHE A 38 5.108 5.684 -3.711 1.00 0.00 O ATOM 585 CB PHE A 38 4.157 7.148 -0.992 1.00 0.00 C ATOM 586 CG PHE A 38 4.760 8.040 0.095 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.020 8.531 -0.050 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.036 8.342 1.206 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.579 9.359 0.959 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.595 9.170 2.215 1.00 0.00 C ATOM 591 CZ PHE A 38 5.855 9.661 2.070 1.00 0.00 C ATOM 0 H PHE A 38 3.026 9.036 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 38 5.517 7.897 -2.530 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.075 7.117 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.524 6.130 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.595 8.291 -0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.035 7.952 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.580 9.749 0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.020 9.410 3.097 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.281 10.291 2.837 1.00 0.00 H new ATOM 601 N CYS A 39 2.951 6.356 -3.809 1.00 0.00 N ATOM 602 CA CYS A 39 2.549 5.306 -4.729 1.00 0.00 C ATOM 603 C CYS A 39 2.402 5.919 -6.123 1.00 0.00 C ATOM 604 O CYS A 39 1.784 5.324 -7.005 1.00 0.00 O ATOM 605 CB CYS A 39 1.264 4.613 -4.271 1.00 0.00 C ATOM 606 SG CYS A 39 0.889 3.200 -5.371 1.00 0.00 S ATOM 0 H CYS A 39 2.202 6.992 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 39 3.313 4.529 -4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.375 4.265 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.436 5.322 -4.280 1.00 0.00 H new ATOM 0 HG CYS A 39 1.127 3.535 -6.604 1.00 0.00 H new ATOM 612 N ALA A 40 2.980 7.101 -6.279 1.00 0.00 N ATOM 613 CA ALA A 40 2.920 7.802 -7.550 1.00 0.00 C ATOM 614 C ALA A 40 4.246 7.618 -8.291 1.00 0.00 C ATOM 615 O ALA A 40 4.288 6.996 -9.352 1.00 0.00 O ATOM 616 CB ALA A 40 2.588 9.275 -7.307 1.00 0.00 C ATOM 0 H ALA A 40 3.492 7.591 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 40 2.130 7.390 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.543 9.800 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.624 9.353 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.360 9.724 -6.682 1.00 0.00 H new ATOM 622 N SER A 41 5.297 8.171 -7.703 1.00 0.00 N ATOM 623 CA SER A 41 6.621 8.075 -8.294 1.00 0.00 C ATOM 624 C SER A 41 7.671 7.882 -7.198 1.00 0.00 C ATOM 625 O SER A 41 8.803 8.346 -7.329 1.00 0.00 O ATOM 626 CB SER A 41 6.944 9.319 -9.125 1.00 0.00 C ATOM 627 OG SER A 41 8.338 9.431 -9.399 1.00 0.00 O ATOM 0 H SER A 41 5.258 8.687 -6.824 1.00 0.00 H new ATOM 0 HA SER A 41 6.637 7.212 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.392 9.281 -10.064 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.607 10.208 -8.593 1.00 0.00 H new ATOM 0 HG SER A 41 8.836 9.456 -8.555 1.00 0.00 H new ATOM 633 N GLU A 42 7.258 7.196 -6.142 1.00 0.00 N ATOM 634 CA GLU A 42 8.149 6.936 -5.024 1.00 0.00 C ATOM 635 C GLU A 42 8.399 5.433 -4.883 1.00 0.00 C ATOM 636 O GLU A 42 9.545 4.995 -4.804 1.00 0.00 O ATOM 637 CB GLU A 42 7.588 7.523 -3.728 1.00 0.00 C ATOM 638 CG GLU A 42 8.713 7.879 -2.754 1.00 0.00 C ATOM 639 CD GLU A 42 9.176 9.323 -2.954 1.00 0.00 C ATOM 640 OE1 GLU A 42 9.906 9.554 -3.942 1.00 0.00 O ATOM 641 OE2 GLU A 42 8.788 10.165 -2.115 1.00 0.00 O ATOM 0 H GLU A 42 6.319 6.813 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 42 9.102 7.426 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.001 8.414 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.913 6.805 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.368 7.743 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.553 7.200 -2.900 1.00 0.00 H new ATOM 648 N TRP A 43 7.306 4.685 -4.855 1.00 0.00 N ATOM 649 CA TRP A 43 7.392 3.240 -4.725 1.00 0.00 C ATOM 650 C TRP A 43 7.794 2.665 -6.085 1.00 0.00 C ATOM 651 O TRP A 43 8.628 1.765 -6.160 1.00 0.00 O ATOM 652 CB TRP A 43 6.080 2.659 -4.195 1.00 0.00 C ATOM 653 CG TRP A 43 5.875 2.853 -2.691 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.784 3.212 -1.775 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.641 2.683 -1.962 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.229 3.286 -0.513 1.00 0.00 N ATOM 657 CE2 TRP A 43 4.884 2.955 -0.631 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.362 2.313 -2.412 1.00 0.00 C ATOM 659 CZ2 TRP A 43 3.897 2.884 0.359 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.386 2.248 -1.411 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.614 2.517 -0.067 1.00 0.00 C ATOM 0 H TRP A 43 6.357 5.052 -4.920 1.00 0.00 H new ATOM 0 HA TRP A 43 8.150 2.963 -3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.249 3.122 -4.727 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.049 1.593 -4.421 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.821 3.418 -1.996 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.716 3.537 0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.149 2.096 -3.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.113 3.100 1.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.385 1.969 -1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.806 2.443 0.646 1.00 0.00 H new ATOM 672 N PRO A 44 7.166 3.225 -7.153 1.00 0.00 N ATOM 673 CA PRO A 44 7.450 2.778 -8.507 1.00 0.00 C ATOM 674 C PRO A 44 8.805 3.303 -8.985 1.00 0.00 C ATOM 675 O PRO A 44 9.194 3.076 -10.129 1.00 0.00 O ATOM 676 CB PRO A 44 6.287 3.288 -9.342 1.00 0.00 C ATOM 677 CG PRO A 44 5.637 4.391 -8.522 1.00 0.00 C ATOM 678 CD PRO A 44 6.172 4.293 -7.102 1.00 0.00 C ATOM 0 HA PRO A 44 7.532 1.694 -8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.633 3.668 -10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.577 2.488 -9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.864 5.368 -8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.552 4.284 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.618 5.234 -6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.376 4.060 -6.394 1.00 0.00 H new ATOM 686 N THR A 45 9.486 3.995 -8.084 1.00 0.00 N ATOM 687 CA THR A 45 10.790 4.554 -8.399 1.00 0.00 C ATOM 688 C THR A 45 11.853 3.998 -7.449 1.00 0.00 C ATOM 689 O THR A 45 12.901 4.612 -7.257 1.00 0.00 O ATOM 690 CB THR A 45 10.673 6.079 -8.355 1.00 0.00 C ATOM 691 OG1 THR A 45 10.080 6.345 -7.087 1.00 0.00 O ATOM 692 CG2 THR A 45 9.656 6.618 -9.363 1.00 0.00 C ATOM 0 H THR A 45 9.160 4.182 -7.136 1.00 0.00 H new ATOM 0 HA THR A 45 11.112 4.267 -9.400 1.00 0.00 H new ATOM 0 HB THR A 45 11.649 6.524 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.850 7.296 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.612 7.705 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.957 6.334 -10.371 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.673 6.200 -9.147 1.00 0.00 H new ATOM 700 N PHE A 46 11.545 2.842 -6.880 1.00 0.00 N ATOM 701 CA PHE A 46 12.461 2.197 -5.954 1.00 0.00 C ATOM 702 C PHE A 46 13.293 1.127 -6.664 1.00 0.00 C ATOM 703 O PHE A 46 13.903 0.279 -6.015 1.00 0.00 O ATOM 704 CB PHE A 46 11.608 1.529 -4.874 1.00 0.00 C ATOM 705 CG PHE A 46 11.287 2.437 -3.685 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.504 3.776 -3.774 1.00 0.00 C ATOM 707 CD2 PHE A 46 10.785 1.904 -2.539 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.206 4.619 -2.670 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.487 2.746 -1.435 1.00 0.00 C ATOM 710 CZ PHE A 46 10.704 4.086 -1.524 1.00 0.00 C ATOM 0 H PHE A 46 10.675 2.335 -7.042 1.00 0.00 H new ATOM 0 HA PHE A 46 13.146 2.933 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.674 1.190 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.128 0.643 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.903 4.199 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.613 0.840 -2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.378 5.683 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.088 2.323 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.478 4.727 -0.684 1.00 0.00 H new ATOM 720 N ASP A 47 13.292 1.202 -7.987 1.00 0.00 N ATOM 721 CA ASP A 47 14.039 0.251 -8.791 1.00 0.00 C ATOM 722 C ASP A 47 13.849 -1.155 -8.219 1.00 0.00 C ATOM 723 O ASP A 47 14.817 -1.811 -7.839 1.00 0.00 O ATOM 724 CB ASP A 47 15.535 0.570 -8.773 1.00 0.00 C ATOM 725 CG ASP A 47 15.932 1.854 -9.504 1.00 0.00 C ATOM 726 OD1 ASP A 47 15.836 1.851 -10.750 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.322 2.811 -8.800 1.00 0.00 O ATOM 0 H ASP A 47 12.785 1.907 -8.522 1.00 0.00 H new ATOM 0 HA ASP A 47 13.669 0.312 -9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.863 0.644 -7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.075 -0.266 -9.219 1.00 0.00 H new ATOM 732 N VAL A 48 12.593 -1.577 -8.176 1.00 0.00 N ATOM 733 CA VAL A 48 12.264 -2.893 -7.656 1.00 0.00 C ATOM 734 C VAL A 48 11.308 -3.594 -8.624 1.00 0.00 C ATOM 735 O VAL A 48 11.482 -4.772 -8.930 1.00 0.00 O ATOM 736 CB VAL A 48 11.697 -2.770 -6.240 1.00 0.00 C ATOM 737 CG1 VAL A 48 10.984 -1.430 -6.050 1.00 0.00 C ATOM 738 CG2 VAL A 48 10.762 -3.938 -5.920 1.00 0.00 C ATOM 0 H VAL A 48 11.792 -1.031 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 48 13.160 -3.509 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 48 12.532 -2.808 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.590 -1.368 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.689 -0.616 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.163 -1.350 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.373 -3.826 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.934 -3.946 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.312 -4.876 -5.995 1.00 0.00 H new ATOM 748 N GLY A 49 10.318 -2.838 -9.079 1.00 0.00 N ATOM 749 CA GLY A 49 9.335 -3.372 -10.005 1.00 0.00 C ATOM 750 C GLY A 49 7.913 -3.048 -9.542 1.00 0.00 C ATOM 751 O GLY A 49 7.016 -3.883 -9.649 1.00 0.00 O ATOM 0 H GLY A 49 10.177 -1.861 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.502 -2.955 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.457 -4.452 -10.088 1.00 0.00 H new ATOM 755 N TRP A 50 7.751 -1.834 -9.037 1.00 0.00 N ATOM 756 CA TRP A 50 6.454 -1.390 -8.557 1.00 0.00 C ATOM 757 C TRP A 50 5.863 -0.441 -9.602 1.00 0.00 C ATOM 758 O TRP A 50 6.496 0.544 -9.979 1.00 0.00 O ATOM 759 CB TRP A 50 6.570 -0.755 -7.170 1.00 0.00 C ATOM 760 CG TRP A 50 5.272 -0.123 -6.664 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.702 1.023 -7.061 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.400 -0.653 -5.643 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.531 1.270 -6.374 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.341 0.218 -5.484 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.501 -1.829 -4.879 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.304 0.006 -4.568 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.457 -2.027 -3.969 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.384 -1.160 -3.797 1.00 0.00 C ATOM 0 H TRP A 50 8.497 -1.144 -8.950 1.00 0.00 H new ATOM 0 HA TRP A 50 5.778 -2.236 -8.433 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.893 -1.516 -6.459 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.348 0.008 -7.195 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.108 1.672 -7.823 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.918 2.076 -6.496 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.320 -2.525 -4.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.487 0.704 -4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.487 -2.916 -3.357 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.616 -1.385 -3.072 1.00 0.00 H new ATOM 779 N PRO A 51 4.625 -0.779 -10.051 1.00 0.00 N ATOM 780 CA PRO A 51 3.942 0.032 -11.044 1.00 0.00 C ATOM 781 C PRO A 51 3.402 1.322 -10.422 1.00 0.00 C ATOM 782 O PRO A 51 3.440 1.491 -9.204 1.00 0.00 O ATOM 783 CB PRO A 51 2.846 -0.864 -11.598 1.00 0.00 C ATOM 784 CG PRO A 51 2.658 -1.973 -10.575 1.00 0.00 C ATOM 785 CD PRO A 51 3.845 -1.938 -9.626 1.00 0.00 C ATOM 0 HA PRO A 51 4.605 0.367 -11.841 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.921 -0.306 -11.743 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.128 -1.272 -12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.727 -1.833 -10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.593 -2.942 -11.070 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.521 -1.839 -8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.431 -2.855 -9.691 1.00 0.00 H new ATOM 793 N PRO A 52 2.899 2.221 -11.310 1.00 0.00 N ATOM 794 CA PRO A 52 2.352 3.490 -10.861 1.00 0.00 C ATOM 795 C PRO A 52 0.975 3.299 -10.222 1.00 0.00 C ATOM 796 O PRO A 52 0.630 3.989 -9.264 1.00 0.00 O ATOM 797 CB PRO A 52 2.314 4.364 -12.104 1.00 0.00 C ATOM 798 CG PRO A 52 2.402 3.412 -13.285 1.00 0.00 C ATOM 799 CD PRO A 52 2.838 2.055 -12.759 1.00 0.00 C ATOM 0 HA PRO A 52 2.955 3.955 -10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.395 4.950 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.143 5.071 -12.110 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.437 3.335 -13.786 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.115 3.783 -14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.129 1.276 -13.039 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.807 1.765 -13.166 1.00 0.00 H new ATOM 807 N GLU A 53 0.226 2.359 -10.778 1.00 0.00 N ATOM 808 CA GLU A 53 -1.106 2.068 -10.275 1.00 0.00 C ATOM 809 C GLU A 53 -1.018 1.303 -8.953 1.00 0.00 C ATOM 810 O GLU A 53 -1.975 1.281 -8.180 1.00 0.00 O ATOM 811 CB GLU A 53 -1.923 1.287 -11.307 1.00 0.00 C ATOM 812 CG GLU A 53 -1.409 -0.147 -11.443 1.00 0.00 C ATOM 813 CD GLU A 53 -2.434 -1.032 -12.156 1.00 0.00 C ATOM 814 OE1 GLU A 53 -2.582 -0.853 -13.384 1.00 0.00 O ATOM 815 OE2 GLU A 53 -3.046 -1.867 -11.456 1.00 0.00 O ATOM 0 H GLU A 53 0.516 1.789 -11.572 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.619 3.012 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.972 1.274 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.870 1.789 -12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.472 -0.150 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.195 -0.556 -10.455 1.00 0.00 H new ATOM 822 N GLY A 54 0.138 0.695 -8.733 1.00 0.00 N ATOM 823 CA GLY A 54 0.363 -0.069 -7.518 1.00 0.00 C ATOM 824 C GLY A 54 0.192 -1.568 -7.773 1.00 0.00 C ATOM 825 O GLY A 54 -0.093 -1.982 -8.895 1.00 0.00 O ATOM 0 H GLY A 54 0.929 0.716 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.367 0.127 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.336 0.254 -6.746 1.00 0.00 H new ATOM 829 N THR A 55 0.372 -2.341 -6.711 1.00 0.00 N ATOM 830 CA THR A 55 0.241 -3.784 -6.806 1.00 0.00 C ATOM 831 C THR A 55 0.076 -4.397 -5.414 1.00 0.00 C ATOM 832 O THR A 55 0.727 -3.969 -4.462 1.00 0.00 O ATOM 833 CB THR A 55 1.455 -4.321 -7.566 1.00 0.00 C ATOM 834 OG1 THR A 55 1.166 -5.704 -7.752 1.00 0.00 O ATOM 835 CG2 THR A 55 2.727 -4.317 -6.716 1.00 0.00 C ATOM 0 H THR A 55 0.607 -1.994 -5.781 1.00 0.00 H new ATOM 0 HA THR A 55 -0.656 -4.064 -7.359 1.00 0.00 H new ATOM 0 HB THR A 55 1.615 -3.721 -8.462 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.902 -6.129 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.558 -4.708 -7.303 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.952 -3.298 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.579 -4.943 -5.836 1.00 0.00 H new ATOM 843 N PHE A 56 -0.797 -5.391 -5.339 1.00 0.00 N ATOM 844 CA PHE A 56 -1.056 -6.067 -4.079 1.00 0.00 C ATOM 845 C PHE A 56 -0.192 -7.322 -3.943 1.00 0.00 C ATOM 846 O PHE A 56 -0.617 -8.311 -3.348 1.00 0.00 O ATOM 847 CB PHE A 56 -2.530 -6.475 -4.084 1.00 0.00 C ATOM 848 CG PHE A 56 -3.501 -5.303 -3.921 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.422 -4.503 -2.824 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.442 -5.063 -4.872 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.323 -3.416 -2.673 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.343 -3.976 -4.721 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.264 -3.175 -3.624 1.00 0.00 C ATOM 0 H PHE A 56 -1.334 -5.745 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.821 -5.404 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.751 -6.989 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.701 -7.190 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.675 -4.694 -2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.504 -5.699 -5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.261 -2.780 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.091 -3.785 -5.477 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.949 -2.348 -3.509 1.00 0.00 H new ATOM 863 N ASP A 57 1.006 -7.241 -4.505 1.00 0.00 N ATOM 864 CA ASP A 57 1.933 -8.358 -4.454 1.00 0.00 C ATOM 865 C ASP A 57 2.872 -8.182 -3.259 1.00 0.00 C ATOM 866 O ASP A 57 3.754 -7.325 -3.279 1.00 0.00 O ATOM 867 CB ASP A 57 2.788 -8.423 -5.721 1.00 0.00 C ATOM 868 CG ASP A 57 3.582 -9.719 -5.901 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.286 -10.674 -5.151 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.467 -9.724 -6.783 1.00 0.00 O ATOM 0 H ASP A 57 1.355 -6.419 -4.998 1.00 0.00 H new ATOM 0 HA ASP A 57 1.351 -9.275 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.139 -8.289 -6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.486 -7.585 -5.714 1.00 0.00 H new ATOM 875 N LEU A 58 2.650 -9.007 -2.246 1.00 0.00 N ATOM 876 CA LEU A 58 3.466 -8.953 -1.044 1.00 0.00 C ATOM 877 C LEU A 58 4.943 -8.911 -1.438 1.00 0.00 C ATOM 878 O LEU A 58 5.735 -8.203 -0.817 1.00 0.00 O ATOM 879 CB LEU A 58 3.112 -10.107 -0.104 1.00 0.00 C ATOM 880 CG LEU A 58 3.070 -9.769 1.387 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.739 -9.115 1.764 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.362 -11.006 2.238 1.00 0.00 C ATOM 0 H LEU A 58 1.917 -9.716 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 58 3.259 -8.041 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.138 -10.500 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.837 -10.907 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 58 3.856 -9.043 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.736 -8.885 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.611 -8.195 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.921 -9.799 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.326 -10.738 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.616 -11.773 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.353 -11.389 1.995 1.00 0.00 H new ATOM 894 N THR A 59 5.271 -9.679 -2.466 1.00 0.00 N ATOM 895 CA THR A 59 6.640 -9.739 -2.950 1.00 0.00 C ATOM 896 C THR A 59 7.159 -8.332 -3.256 1.00 0.00 C ATOM 897 O THR A 59 8.217 -7.937 -2.769 1.00 0.00 O ATOM 898 CB THR A 59 6.674 -10.676 -4.159 1.00 0.00 C ATOM 899 OG1 THR A 59 6.352 -11.954 -3.617 1.00 0.00 O ATOM 900 CG2 THR A 59 8.086 -10.855 -4.721 1.00 0.00 C ATOM 0 H THR A 59 4.612 -10.266 -2.978 1.00 0.00 H new ATOM 0 HA THR A 59 7.311 -10.141 -2.191 1.00 0.00 H new ATOM 0 HB THR A 59 6.019 -10.286 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.350 -12.622 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.054 -11.529 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.478 -9.888 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.733 -11.276 -3.952 1.00 0.00 H new ATOM 908 N VAL A 60 6.391 -7.615 -4.063 1.00 0.00 N ATOM 909 CA VAL A 60 6.760 -6.262 -4.440 1.00 0.00 C ATOM 910 C VAL A 60 6.660 -5.350 -3.215 1.00 0.00 C ATOM 911 O VAL A 60 7.537 -4.520 -2.982 1.00 0.00 O ATOM 912 CB VAL A 60 5.892 -5.789 -5.608 1.00 0.00 C ATOM 913 CG1 VAL A 60 6.335 -4.409 -6.097 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.909 -6.807 -6.750 1.00 0.00 C ATOM 0 H VAL A 60 5.515 -7.946 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 60 7.793 -6.231 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 60 4.866 -5.704 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.702 -4.097 -6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.248 -3.689 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.372 -4.456 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.284 -6.447 -7.568 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.931 -6.939 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.523 -7.762 -6.392 1.00 0.00 H new ATOM 924 N ILE A 61 5.585 -5.537 -2.464 1.00 0.00 N ATOM 925 CA ILE A 61 5.360 -4.742 -1.268 1.00 0.00 C ATOM 926 C ILE A 61 6.557 -4.894 -0.328 1.00 0.00 C ATOM 927 O ILE A 61 7.131 -3.901 0.117 1.00 0.00 O ATOM 928 CB ILE A 61 4.021 -5.110 -0.625 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.850 -4.632 -1.485 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.936 -4.576 0.807 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.517 -5.125 -0.918 1.00 0.00 C ATOM 0 H ILE A 61 4.860 -6.227 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 61 5.286 -3.684 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 61 3.956 -6.197 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.849 -3.543 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.972 -4.995 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.975 -4.851 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.740 -5.006 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.032 -3.490 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.701 -4.771 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.512 -6.215 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.387 -4.740 0.094 1.00 0.00 H new ATOM 943 N PHE A 62 6.898 -6.144 -0.052 1.00 0.00 N ATOM 944 CA PHE A 62 8.016 -6.438 0.828 1.00 0.00 C ATOM 945 C PHE A 62 9.284 -5.721 0.362 1.00 0.00 C ATOM 946 O PHE A 62 10.080 -5.264 1.181 1.00 0.00 O ATOM 947 CB PHE A 62 8.247 -7.949 0.767 1.00 0.00 C ATOM 948 CG PHE A 62 7.649 -8.719 1.947 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.322 -8.617 2.222 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.446 -9.505 2.720 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.767 -9.331 3.317 1.00 0.00 C ATOM 952 CE2 PHE A 62 7.891 -10.219 3.814 1.00 0.00 C ATOM 953 CZ PHE A 62 6.563 -10.117 4.090 1.00 0.00 C ATOM 0 H PHE A 62 6.420 -6.965 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 62 7.792 -6.101 1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.820 -8.334 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.319 -8.141 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.690 -7.993 1.608 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.501 -9.586 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.713 -9.250 3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.523 -10.844 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.141 -10.660 4.923 1.00 0.00 H new ATOM 963 N GLU A 63 9.433 -5.643 -0.953 1.00 0.00 N ATOM 964 CA GLU A 63 10.590 -4.989 -1.538 1.00 0.00 C ATOM 965 C GLU A 63 10.581 -3.496 -1.204 1.00 0.00 C ATOM 966 O GLU A 63 11.566 -2.964 -0.693 1.00 0.00 O ATOM 967 CB GLU A 63 10.641 -5.213 -3.050 1.00 0.00 C ATOM 968 CG GLU A 63 10.954 -6.674 -3.379 1.00 0.00 C ATOM 969 CD GLU A 63 12.426 -6.993 -3.107 1.00 0.00 C ATOM 970 OE1 GLU A 63 13.272 -6.189 -3.553 1.00 0.00 O ATOM 971 OE2 GLU A 63 12.670 -8.035 -2.461 1.00 0.00 O ATOM 0 H GLU A 63 8.771 -6.023 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 63 11.489 -5.432 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.686 -4.933 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.400 -4.567 -3.491 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.320 -7.329 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.722 -6.873 -4.425 1.00 0.00 H new ATOM 978 N VAL A 64 9.458 -2.861 -1.507 1.00 0.00 N ATOM 979 CA VAL A 64 9.308 -1.440 -1.246 1.00 0.00 C ATOM 980 C VAL A 64 9.304 -1.201 0.265 1.00 0.00 C ATOM 981 O VAL A 64 9.910 -0.245 0.747 1.00 0.00 O ATOM 982 CB VAL A 64 8.050 -0.911 -1.938 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.616 0.428 -1.338 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.263 -0.792 -3.448 1.00 0.00 C ATOM 0 H VAL A 64 8.643 -3.305 -1.931 1.00 0.00 H new ATOM 0 HA VAL A 64 10.149 -0.885 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 64 7.248 -1.630 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.720 0.782 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.403 0.299 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.416 1.158 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.354 -0.414 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.086 -0.105 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.502 -1.772 -3.860 1.00 0.00 H new ATOM 994 N LYS A 65 8.615 -2.086 0.970 1.00 0.00 N ATOM 995 CA LYS A 65 8.525 -1.983 2.417 1.00 0.00 C ATOM 996 C LYS A 65 9.923 -2.123 3.022 1.00 0.00 C ATOM 997 O LYS A 65 10.360 -1.268 3.790 1.00 0.00 O ATOM 998 CB LYS A 65 7.515 -2.993 2.964 1.00 0.00 C ATOM 999 CG LYS A 65 7.557 -3.038 4.492 1.00 0.00 C ATOM 1000 CD LYS A 65 6.898 -4.314 5.022 1.00 0.00 C ATOM 1001 CE LYS A 65 7.646 -4.850 6.244 1.00 0.00 C ATOM 1002 NZ LYS A 65 8.082 -6.245 6.014 1.00 0.00 N ATOM 0 H LYS A 65 8.114 -2.878 0.567 1.00 0.00 H new ATOM 0 HA LYS A 65 8.149 -1.002 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.512 -2.726 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.731 -3.983 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.591 -2.990 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.047 -2.165 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.861 -4.109 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.883 -5.072 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.512 -4.222 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.001 -4.804 7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.588 -6.593 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.250 -6.844 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.715 -6.280 5.189 1.00 0.00 H new ATOM 1016 N ALA A 66 10.587 -3.209 2.652 1.00 0.00 N ATOM 1017 CA ALA A 66 11.927 -3.472 3.149 1.00 0.00 C ATOM 1018 C ALA A 66 12.817 -2.259 2.869 1.00 0.00 C ATOM 1019 O ALA A 66 13.696 -1.932 3.666 1.00 0.00 O ATOM 1020 CB ALA A 66 12.467 -4.752 2.509 1.00 0.00 C ATOM 0 H ALA A 66 10.222 -3.916 2.014 1.00 0.00 H new ATOM 0 HA ALA A 66 11.913 -3.628 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.472 -4.949 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.815 -5.588 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.499 -4.632 1.426 1.00 0.00 H new ATOM 1026 N ILE A 67 12.560 -1.626 1.734 1.00 0.00 N ATOM 1027 CA ILE A 67 13.327 -0.457 1.339 1.00 0.00 C ATOM 1028 C ILE A 67 13.137 0.648 2.380 1.00 0.00 C ATOM 1029 O ILE A 67 14.111 1.216 2.873 1.00 0.00 O ATOM 1030 CB ILE A 67 12.959 -0.030 -0.084 1.00 0.00 C ATOM 1031 CG1 ILE A 67 13.560 -0.988 -1.115 1.00 0.00 C ATOM 1032 CG2 ILE A 67 13.366 1.421 -0.344 1.00 0.00 C ATOM 1033 CD1 ILE A 67 12.797 -0.915 -2.440 1.00 0.00 C ATOM 0 H ILE A 67 11.831 -1.901 1.075 1.00 0.00 H new ATOM 0 HA ILE A 67 14.391 -0.691 1.312 1.00 0.00 H new ATOM 0 HB ILE A 67 11.875 -0.083 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 67 14.608 -0.739 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 67 13.531 -2.007 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 67 13.093 1.699 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.852 2.075 0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 67 14.443 1.525 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.244 -1.605 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 67 11.755 -1.188 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 67 12.848 0.100 -2.834 1.00 0.00 H new ATOM 1045 N VAL A 68 11.877 0.921 2.685 1.00 0.00 N ATOM 1046 CA VAL A 68 11.547 1.947 3.658 1.00 0.00 C ATOM 1047 C VAL A 68 11.897 1.445 5.061 1.00 0.00 C ATOM 1048 O VAL A 68 12.313 2.225 5.917 1.00 0.00 O ATOM 1049 CB VAL A 68 10.078 2.350 3.517 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.660 2.390 2.046 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.173 1.413 4.319 1.00 0.00 C ATOM 0 H VAL A 68 11.072 0.448 2.274 1.00 0.00 H new ATOM 0 HA VAL A 68 12.135 2.847 3.478 1.00 0.00 H new ATOM 0 HB VAL A 68 9.965 3.354 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.612 2.679 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.274 3.116 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.796 1.404 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.134 1.722 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.292 0.393 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.447 1.456 5.373 1.00 0.00 H new ATOM 1061 N PHE A 69 11.715 0.147 5.252 1.00 0.00 N ATOM 1062 CA PHE A 69 12.007 -0.468 6.536 1.00 0.00 C ATOM 1063 C PHE A 69 13.459 -0.946 6.598 1.00 0.00 C ATOM 1064 O PHE A 69 13.782 -1.866 7.349 1.00 0.00 O ATOM 1065 CB PHE A 69 11.078 -1.676 6.674 1.00 0.00 C ATOM 1066 CG PHE A 69 9.699 -1.338 7.245 1.00 0.00 C ATOM 1067 CD1 PHE A 69 8.687 -0.979 6.411 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.486 -1.398 8.587 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.407 -0.666 6.941 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.206 -1.085 9.117 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.194 -0.726 8.283 1.00 0.00 C ATOM 0 H PHE A 69 11.369 -0.496 4.540 1.00 0.00 H new ATOM 0 HA PHE A 69 11.857 0.255 7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.951 -2.138 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.555 -2.416 7.316 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.856 -0.932 5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.290 -1.684 9.249 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.603 -0.380 6.279 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.037 -1.132 10.183 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.221 -0.488 8.686 1.00 0.00 H new ATOM 1081 N GLN A 70 14.295 -0.301 5.799 1.00 0.00 N ATOM 1082 CA GLN A 70 15.705 -0.649 5.753 1.00 0.00 C ATOM 1083 C GLN A 70 16.444 -0.028 6.941 1.00 0.00 C ATOM 1084 O GLN A 70 15.820 0.529 7.842 1.00 0.00 O ATOM 1085 CB GLN A 70 16.335 -0.215 4.428 1.00 0.00 C ATOM 1086 CG GLN A 70 16.636 1.285 4.430 1.00 0.00 C ATOM 1087 CD GLN A 70 17.330 1.707 3.133 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.544 1.788 3.046 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.493 1.971 2.133 1.00 0.00 N ATOM 0 H GLN A 70 14.023 0.461 5.178 1.00 0.00 H new ATOM 0 HA GLN A 70 15.794 -1.733 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.255 -0.774 4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.661 -0.453 3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.709 1.845 4.549 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.269 1.531 5.282 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.487 1.883 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.858 2.261 1.226 1.00 0.00 H new ATOM 1098 N ASP A 71 17.763 -0.146 6.903 1.00 0.00 N ATOM 1099 CA ASP A 71 18.593 0.397 7.965 1.00 0.00 C ATOM 1100 C ASP A 71 19.353 1.617 7.439 1.00 0.00 C ATOM 1101 O ASP A 71 19.769 1.642 6.282 1.00 0.00 O ATOM 1102 CB ASP A 71 19.621 -0.632 8.440 1.00 0.00 C ATOM 1103 CG ASP A 71 20.428 -0.217 9.672 1.00 0.00 C ATOM 1104 OD1 ASP A 71 19.861 0.531 10.497 1.00 0.00 O ATOM 1105 OD2 ASP A 71 21.595 -0.658 9.761 1.00 0.00 O ATOM 0 H ASP A 71 18.277 -0.609 6.154 1.00 0.00 H new ATOM 0 HA ASP A 71 17.943 0.668 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.103 -1.566 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.313 -0.836 7.623 1.00 0.00 H new ATOM 1110 N GLY A 72 19.511 2.598 8.315 1.00 0.00 N ATOM 1111 CA GLY A 72 20.214 3.817 7.954 1.00 0.00 C ATOM 1112 C GLY A 72 19.235 4.978 7.765 1.00 0.00 C ATOM 1113 O GLY A 72 18.038 4.832 8.009 1.00 0.00 O ATOM 0 H GLY A 72 19.164 2.574 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.936 4.068 8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.777 3.658 7.034 1.00 0.00 H new ATOM 1117 N PRO A 73 19.795 6.135 7.321 1.00 0.00 N ATOM 1118 CA PRO A 73 18.985 7.320 7.096 1.00 0.00 C ATOM 1119 C PRO A 73 18.161 7.186 5.814 1.00 0.00 C ATOM 1120 O PRO A 73 17.378 8.074 5.479 1.00 0.00 O ATOM 1121 CB PRO A 73 19.977 8.471 7.047 1.00 0.00 C ATOM 1122 CG PRO A 73 21.334 7.841 6.781 1.00 0.00 C ATOM 1123 CD PRO A 73 21.208 6.345 7.022 1.00 0.00 C ATOM 0 HA PRO A 73 18.247 7.481 7.882 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.715 9.179 6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.980 9.024 7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.652 8.037 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 73 22.090 8.271 7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.516 5.775 6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.840 6.023 7.850 1.00 0.00 H new ATOM 1131 N GLY A 74 18.366 6.070 5.131 1.00 0.00 N ATOM 1132 CA GLY A 74 17.652 5.808 3.893 1.00 0.00 C ATOM 1133 C GLY A 74 16.220 5.348 4.173 1.00 0.00 C ATOM 1134 O GLY A 74 15.312 5.621 3.389 1.00 0.00 O ATOM 0 H GLY A 74 19.017 5.336 5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.635 6.710 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.178 5.044 3.320 1.00 0.00 H new ATOM 1138 N SER A 75 16.062 4.657 5.292 1.00 0.00 N ATOM 1139 CA SER A 75 14.756 4.156 5.685 1.00 0.00 C ATOM 1140 C SER A 75 13.748 5.306 5.736 1.00 0.00 C ATOM 1141 O SER A 75 14.090 6.418 6.135 1.00 0.00 O ATOM 1142 CB SER A 75 14.823 3.448 7.040 1.00 0.00 C ATOM 1143 OG SER A 75 15.653 4.144 7.966 1.00 0.00 O ATOM 0 H SER A 75 16.817 4.432 5.940 1.00 0.00 H new ATOM 0 HA SER A 75 14.430 3.429 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.818 3.357 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.204 2.436 6.902 1.00 0.00 H new ATOM 0 HG SER A 75 16.592 3.921 7.795 1.00 0.00 H new ATOM 1149 N HIS A 76 12.527 4.998 5.325 1.00 0.00 N ATOM 1150 CA HIS A 76 11.467 5.992 5.319 1.00 0.00 C ATOM 1151 C HIS A 76 10.400 5.611 6.347 1.00 0.00 C ATOM 1152 O HIS A 76 9.540 4.775 6.074 1.00 0.00 O ATOM 1153 CB HIS A 76 10.897 6.170 3.910 1.00 0.00 C ATOM 1154 CG HIS A 76 11.899 5.929 2.807 1.00 0.00 C ATOM 1155 ND1 HIS A 76 12.880 6.846 2.472 1.00 0.00 N ATOM 1156 CD2 HIS A 76 12.063 4.866 1.968 1.00 0.00 C ATOM 1157 CE1 HIS A 76 13.595 6.347 1.474 1.00 0.00 C ATOM 1158 NE2 HIS A 76 13.087 5.120 1.163 1.00 0.00 N ATOM 0 H HIS A 76 12.248 4.075 4.994 1.00 0.00 H new ATOM 0 HA HIS A 76 11.871 6.962 5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.058 5.487 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.503 7.182 3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.461 3.969 1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.433 6.828 0.991 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.436 4.500 0.432 1.00 0.00 H new ATOM 1166 N PRO A 77 10.492 6.260 7.539 1.00 0.00 N ATOM 1167 CA PRO A 77 9.545 5.997 8.609 1.00 0.00 C ATOM 1168 C PRO A 77 8.194 6.653 8.318 1.00 0.00 C ATOM 1169 O PRO A 77 7.230 6.450 9.055 1.00 0.00 O ATOM 1170 CB PRO A 77 10.210 6.538 9.864 1.00 0.00 C ATOM 1171 CG PRO A 77 11.290 7.494 9.385 1.00 0.00 C ATOM 1172 CD PRO A 77 11.498 7.256 7.898 1.00 0.00 C ATOM 0 HA PRO A 77 9.319 4.937 8.720 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.487 7.051 10.498 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.639 5.731 10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.994 8.527 9.568 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.218 7.326 9.932 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.367 8.175 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.505 6.894 7.692 1.00 0.00 H new ATOM 1180 N ASP A 78 8.167 7.426 7.243 1.00 0.00 N ATOM 1181 CA ASP A 78 6.949 8.113 6.845 1.00 0.00 C ATOM 1182 C ASP A 78 6.070 7.156 6.038 1.00 0.00 C ATOM 1183 O ASP A 78 4.850 7.145 6.197 1.00 0.00 O ATOM 1184 CB ASP A 78 7.263 9.324 5.965 1.00 0.00 C ATOM 1185 CG ASP A 78 7.834 10.533 6.708 1.00 0.00 C ATOM 1186 OD1 ASP A 78 8.412 10.310 7.794 1.00 0.00 O ATOM 1187 OD2 ASP A 78 7.681 11.653 6.174 1.00 0.00 O ATOM 0 H ASP A 78 8.969 7.592 6.635 1.00 0.00 H new ATOM 0 HA ASP A 78 6.439 8.447 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.973 9.021 5.196 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.350 9.629 5.454 1.00 0.00 H new ATOM 1192 N GLN A 79 6.723 6.377 5.189 1.00 0.00 N ATOM 1193 CA GLN A 79 6.015 5.419 4.356 1.00 0.00 C ATOM 1194 C GLN A 79 5.858 4.088 5.094 1.00 0.00 C ATOM 1195 O GLN A 79 5.040 3.254 4.710 1.00 0.00 O ATOM 1196 CB GLN A 79 6.730 5.223 3.017 1.00 0.00 C ATOM 1197 CG GLN A 79 6.840 6.545 2.256 1.00 0.00 C ATOM 1198 CD GLN A 79 8.171 6.637 1.506 1.00 0.00 C ATOM 1199 OE1 GLN A 79 9.189 7.044 2.042 1.00 0.00 O ATOM 1200 NE2 GLN A 79 8.107 6.237 0.239 1.00 0.00 N ATOM 0 H GLN A 79 7.735 6.389 5.060 1.00 0.00 H new ATOM 0 HA GLN A 79 5.021 5.814 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.726 4.814 3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.187 4.496 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.014 6.632 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.753 7.378 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.223 5.907 -0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.942 6.260 -0.346 1.00 0.00 H new ATOM 1209 N GLN A 80 6.656 3.930 6.140 1.00 0.00 N ATOM 1210 CA GLN A 80 6.615 2.715 6.935 1.00 0.00 C ATOM 1211 C GLN A 80 5.171 2.370 7.305 1.00 0.00 C ATOM 1212 O GLN A 80 4.739 1.230 7.137 1.00 0.00 O ATOM 1213 CB GLN A 80 7.484 2.850 8.187 1.00 0.00 C ATOM 1214 CG GLN A 80 8.828 2.142 8.001 1.00 0.00 C ATOM 1215 CD GLN A 80 9.779 2.457 9.158 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.425 2.384 10.323 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.001 2.811 8.772 1.00 0.00 N ATOM 0 H GLN A 80 7.335 4.623 6.455 1.00 0.00 H new ATOM 0 HA GLN A 80 7.021 1.899 6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.652 3.905 8.406 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.961 2.426 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.670 1.065 7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.280 2.453 7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.230 2.852 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.709 3.042 9.469 1.00 0.00 H new ATOM 1226 N PRO A 81 4.446 3.402 7.813 1.00 0.00 N ATOM 1227 CA PRO A 81 3.059 3.219 8.208 1.00 0.00 C ATOM 1228 C PRO A 81 2.147 3.136 6.982 1.00 0.00 C ATOM 1229 O PRO A 81 1.055 2.574 7.054 1.00 0.00 O ATOM 1230 CB PRO A 81 2.745 4.406 9.103 1.00 0.00 C ATOM 1231 CG PRO A 81 3.812 5.447 8.804 1.00 0.00 C ATOM 1232 CD PRO A 81 4.924 4.764 8.025 1.00 0.00 C ATOM 0 HA PRO A 81 2.893 2.282 8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.749 4.798 8.897 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.764 4.118 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.391 6.270 8.226 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.200 5.873 9.729 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.112 5.270 7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.861 4.773 8.582 1.00 0.00 H new ATOM 1240 N TYR A 82 2.629 3.704 5.886 1.00 0.00 N ATOM 1241 CA TYR A 82 1.870 3.701 4.647 1.00 0.00 C ATOM 1242 C TYR A 82 1.927 2.329 3.972 1.00 0.00 C ATOM 1243 O TYR A 82 0.895 1.777 3.594 1.00 0.00 O ATOM 1244 CB TYR A 82 2.544 4.732 3.738 1.00 0.00 C ATOM 1245 CG TYR A 82 2.241 6.184 4.113 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.538 6.646 5.380 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.672 7.032 3.185 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.254 8.013 5.732 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.388 8.399 3.538 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.693 8.822 4.794 1.00 0.00 C ATOM 1251 OH TYR A 82 1.424 10.113 5.128 1.00 0.00 O ATOM 0 H TYR A 82 3.535 4.169 5.830 1.00 0.00 H new ATOM 0 HA TYR A 82 0.822 3.933 4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.623 4.577 3.767 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.225 4.559 2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.983 5.982 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.440 6.671 2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.482 8.387 6.719 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.943 9.073 2.821 1.00 0.00 H new ATOM 0 HH TYR A 82 2.036 10.709 4.649 1.00 0.00 H new ATOM 1261 N ILE A 83 3.143 1.819 3.842 1.00 0.00 N ATOM 1262 CA ILE A 83 3.348 0.523 3.220 1.00 0.00 C ATOM 1263 C ILE A 83 2.811 -0.572 4.144 1.00 0.00 C ATOM 1264 O ILE A 83 2.273 -1.575 3.676 1.00 0.00 O ATOM 1265 CB ILE A 83 4.818 0.338 2.837 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.010 -0.920 1.988 1.00 0.00 C ATOM 1267 CG2 ILE A 83 5.711 0.334 4.079 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.131 -0.877 0.736 1.00 0.00 C ATOM 0 H ILE A 83 3.996 2.281 4.157 1.00 0.00 H new ATOM 0 HA ILE A 83 2.789 0.456 2.287 1.00 0.00 H new ATOM 0 HB ILE A 83 5.121 1.187 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.057 -1.011 1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.765 -1.803 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.751 0.201 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.604 1.281 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.416 -0.483 4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.287 -1.783 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.083 -0.810 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.396 -0.007 0.135 1.00 0.00 H new ATOM 1280 N THR A 84 2.976 -0.343 5.438 1.00 0.00 N ATOM 1281 CA THR A 84 2.514 -1.298 6.432 1.00 0.00 C ATOM 1282 C THR A 84 1.051 -1.666 6.178 1.00 0.00 C ATOM 1283 O THR A 84 0.678 -2.835 6.264 1.00 0.00 O ATOM 1284 CB THR A 84 2.758 -0.694 7.816 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.150 -0.895 8.043 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.080 -1.493 8.931 1.00 0.00 C ATOM 0 H THR A 84 3.423 0.490 5.822 1.00 0.00 H new ATOM 0 HA THR A 84 3.067 -2.235 6.368 1.00 0.00 H new ATOM 0 HB THR A 84 2.394 0.333 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.665 -0.258 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.285 -1.022 9.892 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.004 -1.516 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.468 -2.512 8.936 1.00 0.00 H new ATOM 1294 N VAL A 85 0.262 -0.647 5.871 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.152 -0.849 5.605 1.00 0.00 C ATOM 1296 C VAL A 85 -1.313 -1.669 4.323 1.00 0.00 C ATOM 1297 O VAL A 85 -2.197 -2.519 4.233 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.871 0.500 5.546 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.249 0.359 4.896 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.983 1.123 6.939 1.00 0.00 C ATOM 0 H VAL A 85 0.575 0.321 5.801 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.616 -1.414 6.413 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.275 1.170 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.739 1.332 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.135 -0.021 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.856 -0.335 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.498 2.081 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.546 0.456 7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.985 1.277 7.350 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.444 -1.385 3.364 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.479 -2.085 2.091 1.00 0.00 C ATOM 1312 C TRP A 86 -0.291 -3.578 2.368 1.00 0.00 C ATOM 1313 O TRP A 86 -1.049 -4.406 1.865 1.00 0.00 O ATOM 1314 CB TRP A 86 0.565 -1.520 1.126 1.00 0.00 C ATOM 1315 CG TRP A 86 0.056 -0.362 0.266 1.00 0.00 C ATOM 1316 CD1 TRP A 86 -0.011 0.937 0.587 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.460 -0.452 -1.079 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.529 1.688 -0.449 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.811 0.816 -1.494 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.624 -1.569 -1.918 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.348 1.089 -2.758 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.162 -1.280 -3.178 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.520 -0.008 -3.610 1.00 0.00 C ATOM 0 H TRP A 86 0.289 -0.680 3.443 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.440 -1.940 1.597 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.428 -1.181 1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.911 -2.320 0.472 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.301 1.345 1.537 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.677 2.697 -0.448 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.356 -2.570 -1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.615 2.091 -3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.309 -2.103 -3.862 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.929 0.133 -4.599 1.00 0.00 H new ATOM 1334 N GLN A 87 0.722 -3.877 3.167 1.00 0.00 N ATOM 1335 CA GLN A 87 1.019 -5.255 3.517 1.00 0.00 C ATOM 1336 C GLN A 87 -0.219 -5.931 4.110 1.00 0.00 C ATOM 1337 O GLN A 87 -0.435 -7.125 3.910 1.00 0.00 O ATOM 1338 CB GLN A 87 2.202 -5.333 4.484 1.00 0.00 C ATOM 1339 CG GLN A 87 2.474 -6.780 4.902 1.00 0.00 C ATOM 1340 CD GLN A 87 1.923 -7.059 6.302 1.00 0.00 C ATOM 1341 OE1 GLN A 87 0.762 -7.387 6.486 1.00 0.00 O ATOM 1342 NE2 GLN A 87 2.817 -6.911 7.275 1.00 0.00 N ATOM 0 H GLN A 87 1.348 -3.187 3.583 1.00 0.00 H new ATOM 0 HA GLN A 87 1.300 -5.787 2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.091 -4.914 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.995 -4.728 5.367 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.017 -7.462 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.547 -6.972 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.773 -6.634 7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.547 -7.074 8.245 1.00 0.00 H new ATOM 1351 N ASP A 88 -1.001 -5.137 4.828 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.212 -5.643 5.451 1.00 0.00 C ATOM 1353 C ASP A 88 -3.262 -5.912 4.371 1.00 0.00 C ATOM 1354 O ASP A 88 -4.002 -6.891 4.451 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.793 -4.624 6.433 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.529 -5.227 7.630 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -4.512 -5.959 7.383 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -3.093 -4.942 8.767 1.00 0.00 O ATOM 0 H ASP A 88 -0.819 -4.147 4.992 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.959 -6.557 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.983 -3.996 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.481 -3.973 5.893 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.293 -5.025 3.387 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.240 -5.155 2.293 1.00 0.00 C ATOM 1365 C LEU A 89 -4.087 -6.536 1.652 1.00 0.00 C ATOM 1366 O LEU A 89 -5.079 -7.201 1.360 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.078 -3.998 1.305 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.988 -2.789 1.533 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -6.394 -3.231 1.946 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -4.371 -1.821 2.544 1.00 0.00 C ATOM 0 H LEU A 89 -2.678 -4.214 3.325 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.263 -5.087 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.042 -3.660 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.257 -4.378 0.299 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.084 -2.251 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.020 -2.353 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.826 -3.850 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.338 -3.805 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.038 -0.971 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.225 -2.333 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.410 -1.469 2.170 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.837 -6.926 1.454 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.541 -8.216 0.854 1.00 0.00 C ATOM 1384 C VAL A 90 -3.018 -9.329 1.788 1.00 0.00 C ATOM 1385 O VAL A 90 -3.783 -10.202 1.381 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.050 -8.310 0.523 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.746 -9.577 -0.279 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.575 -7.062 -0.223 1.00 0.00 C ATOM 0 H VAL A 90 -2.017 -6.371 1.698 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.077 -8.331 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.501 -8.368 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.320 -9.620 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.031 -10.453 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.311 -9.562 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.488 -7.154 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.134 -6.959 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.740 -6.182 0.398 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.546 -9.263 3.025 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.914 -10.255 4.021 1.00 0.00 C ATOM 1400 C GLN A 91 -4.425 -10.493 3.999 1.00 0.00 C ATOM 1401 O GLN A 91 -4.885 -11.542 3.550 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.445 -9.832 5.414 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.921 -9.904 5.526 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.476 -9.877 6.990 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.056 -9.208 7.829 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.583 -10.639 7.247 1.00 0.00 N ATOM 0 H GLN A 91 -1.912 -8.538 3.360 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.415 -11.192 3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.781 -8.816 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.899 -10.477 6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.561 -10.816 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.474 -9.066 4.991 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.021 -11.174 6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.958 -10.689 8.194 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.155 -9.503 4.490 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.605 -9.592 4.532 1.00 0.00 C ATOM 1417 C ASN A 92 -7.185 -9.013 3.240 1.00 0.00 C ATOM 1418 O ASN A 92 -7.548 -7.839 3.190 1.00 0.00 O ATOM 1419 CB ASN A 92 -7.172 -8.790 5.705 1.00 0.00 C ATOM 1420 CG ASN A 92 -7.176 -9.623 6.988 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.970 -10.532 7.166 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -6.247 -9.265 7.870 1.00 0.00 N ATOM 0 H ASN A 92 -4.770 -8.635 4.862 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.875 -10.642 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.578 -7.888 5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.187 -8.468 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.169 -9.761 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.613 -8.494 7.659 1.00 0.00 H new ATOM 1429 N SER A 93 -7.254 -9.865 2.227 1.00 0.00 N ATOM 1430 CA SER A 93 -7.784 -9.453 0.938 1.00 0.00 C ATOM 1431 C SER A 93 -9.254 -9.051 1.081 1.00 0.00 C ATOM 1432 O SER A 93 -10.110 -9.895 1.339 1.00 0.00 O ATOM 1433 CB SER A 93 -7.637 -10.567 -0.099 1.00 0.00 C ATOM 1434 OG SER A 93 -8.715 -11.498 -0.039 1.00 0.00 O ATOM 0 H SER A 93 -6.952 -10.838 2.273 1.00 0.00 H new ATOM 0 HA SER A 93 -7.211 -8.593 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.590 -10.130 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.695 -11.092 0.063 1.00 0.00 H new ATOM 0 HG SER A 93 -9.266 -11.310 0.749 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.507 -7.727 0.903 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.858 -7.202 1.009 1.00 0.00 C ATOM 1442 C PRO A 94 -11.685 -7.563 -0.227 1.00 0.00 C ATOM 1443 O PRO A 94 -11.140 -8.018 -1.232 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.685 -5.703 1.191 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.276 -5.385 0.717 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.518 -6.697 0.596 1.00 0.00 C ATOM 0 HA PRO A 94 -11.411 -7.630 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.426 -5.151 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.820 -5.418 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.303 -4.870 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.777 -4.719 1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.109 -6.827 -0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.679 -6.735 1.290 1.00 0.00 H new ATOM 1454 N PRO A 95 -13.021 -7.340 -0.110 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.928 -7.636 -1.206 1.00 0.00 C ATOM 1456 C PRO A 95 -13.815 -6.584 -2.311 1.00 0.00 C ATOM 1457 O PRO A 95 -14.123 -6.860 -3.469 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.309 -7.685 -0.571 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.182 -6.960 0.759 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.702 -6.802 1.065 1.00 0.00 C ATOM 0 HA PRO A 95 -13.697 -8.580 -1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.050 -7.203 -1.209 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.635 -8.715 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.668 -5.985 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.677 -7.524 1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.441 -5.757 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.424 -7.346 1.968 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.373 -5.400 -1.914 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.215 -4.306 -2.856 1.00 0.00 C ATOM 1470 C TRP A 96 -11.892 -4.508 -3.598 1.00 0.00 C ATOM 1471 O TRP A 96 -11.578 -3.764 -4.527 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.301 -2.954 -2.145 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.431 -2.853 -0.890 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.732 -3.245 0.355 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.097 -2.309 -0.810 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.694 -2.993 1.229 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.669 -2.406 0.498 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.280 -1.752 -1.810 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.410 -1.967 0.927 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.025 -1.318 -1.365 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.579 -1.409 -0.052 1.00 0.00 C ATOM 0 H TRP A 96 -13.119 -5.175 -0.952 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.026 -4.304 -3.584 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.007 -2.169 -2.842 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.339 -2.765 -1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.669 -3.701 0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.682 -3.200 2.228 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.595 -1.666 -2.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.097 -2.054 1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.357 -0.882 -2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.595 -1.051 0.212 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.154 -5.517 -3.162 1.00 0.00 N ATOM 1493 CA ILE A 97 -9.873 -5.826 -3.773 1.00 0.00 C ATOM 1494 C ILE A 97 -9.974 -7.162 -4.512 1.00 0.00 C ATOM 1495 O ILE A 97 -9.986 -7.197 -5.741 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.756 -5.784 -2.728 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.296 -4.347 -2.475 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.594 -6.696 -3.130 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.287 -4.289 -1.326 1.00 0.00 C ATOM 0 H ILE A 97 -11.419 -6.132 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.613 -5.070 -4.514 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.154 -6.165 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.845 -3.941 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.157 -3.722 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.814 -6.648 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.951 -7.722 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.189 -6.369 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.976 -3.257 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.749 -4.673 -0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.416 -4.896 -1.575 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.044 -8.230 -3.730 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.144 -9.565 -4.295 1.00 0.00 C ATOM 1513 C LYS A 98 -9.212 -9.675 -5.503 1.00 0.00 C ATOM 1514 O LYS A 98 -9.672 -9.823 -6.634 1.00 0.00 O ATOM 1515 CB LYS A 98 -11.602 -9.906 -4.609 1.00 0.00 C ATOM 1516 CG LYS A 98 -11.878 -11.394 -4.384 1.00 0.00 C ATOM 1517 CD LYS A 98 -12.104 -12.118 -5.713 1.00 0.00 C ATOM 1518 CE LYS A 98 -13.548 -11.950 -6.190 1.00 0.00 C ATOM 1519 NZ LYS A 98 -13.636 -10.880 -7.209 1.00 0.00 N ATOM 0 H LYS A 98 -10.033 -8.198 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.816 -10.310 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.262 -9.311 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.826 -9.643 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.038 -11.847 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -12.755 -11.513 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.421 -11.725 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.876 -13.178 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.911 -12.889 -6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.191 -11.708 -5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.502 -11.006 -7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.660 -9.953 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.807 -10.928 -7.836 1.00 0.00 H new ATOM 1533 N SER A 99 -7.920 -9.597 -5.223 1.00 0.00 N ATOM 1534 CA SER A 99 -6.919 -9.685 -6.273 1.00 0.00 C ATOM 1535 C SER A 99 -7.275 -10.816 -7.240 1.00 0.00 C ATOM 1536 O SER A 99 -7.852 -11.824 -6.837 1.00 0.00 O ATOM 1537 CB SER A 99 -5.524 -9.907 -5.687 1.00 0.00 C ATOM 1538 OG SER A 99 -5.483 -11.035 -4.817 1.00 0.00 O ATOM 0 H SER A 99 -7.542 -9.474 -4.283 1.00 0.00 H new ATOM 0 HA SER A 99 -6.908 -8.740 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.809 -10.048 -6.497 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.215 -9.016 -5.140 1.00 0.00 H new ATOM 0 HG SER A 99 -4.575 -11.144 -4.465 1.00 0.00 H new ATOM 1544 N GLY A 100 -6.915 -10.610 -8.499 1.00 0.00 N ATOM 1545 CA GLY A 100 -7.189 -11.599 -9.527 1.00 0.00 C ATOM 1546 C GLY A 100 -6.122 -11.561 -10.622 1.00 0.00 C ATOM 1547 O GLY A 100 -5.366 -10.596 -10.725 1.00 0.00 O ATOM 0 H GLY A 100 -6.436 -9.772 -8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.222 -12.593 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.170 -11.413 -9.964 1.00 0.00 H new ATOM 1551 N PRO A 101 -6.092 -12.652 -11.435 1.00 0.00 N ATOM 1552 CA PRO A 101 -5.130 -12.752 -12.519 1.00 0.00 C ATOM 1553 C PRO A 101 -5.526 -11.849 -13.688 1.00 0.00 C ATOM 1554 O PRO A 101 -6.695 -11.792 -14.066 1.00 0.00 O ATOM 1555 CB PRO A 101 -5.106 -14.226 -12.888 1.00 0.00 C ATOM 1556 CG PRO A 101 -6.386 -14.819 -12.321 1.00 0.00 C ATOM 1557 CD PRO A 101 -6.971 -13.814 -11.342 1.00 0.00 C ATOM 0 HA PRO A 101 -4.135 -12.411 -12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.060 -14.357 -13.969 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.228 -14.719 -12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.096 -15.031 -13.121 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.179 -15.765 -11.820 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.997 -13.556 -11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.992 -14.215 -10.328 1.00 0.00 H new ATOM 1565 N SER A 102 -4.529 -11.165 -14.230 1.00 0.00 N ATOM 1566 CA SER A 102 -4.758 -10.267 -15.349 1.00 0.00 C ATOM 1567 C SER A 102 -3.426 -9.711 -15.856 1.00 0.00 C ATOM 1568 O SER A 102 -2.414 -9.785 -15.160 1.00 0.00 O ATOM 1569 CB SER A 102 -5.695 -9.123 -14.955 1.00 0.00 C ATOM 1570 OG SER A 102 -6.426 -8.623 -16.071 1.00 0.00 O ATOM 0 H SER A 102 -3.560 -11.215 -13.915 1.00 0.00 H new ATOM 0 HA SER A 102 -5.236 -10.833 -16.149 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.391 -9.471 -14.192 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.114 -8.315 -14.511 1.00 0.00 H new ATOM 0 HG SER A 102 -7.014 -7.896 -15.778 1.00 0.00 H new ATOM 1576 N SER A 103 -3.469 -9.166 -17.063 1.00 0.00 N ATOM 1577 CA SER A 103 -2.277 -8.598 -17.670 1.00 0.00 C ATOM 1578 C SER A 103 -1.206 -9.679 -17.832 1.00 0.00 C ATOM 1579 O SER A 103 -1.197 -10.664 -17.096 1.00 0.00 O ATOM 1580 CB SER A 103 -1.736 -7.435 -16.837 1.00 0.00 C ATOM 1581 OG SER A 103 -0.386 -7.123 -17.170 1.00 0.00 O ATOM 0 H SER A 103 -4.310 -9.106 -17.637 1.00 0.00 H new ATOM 0 HA SER A 103 -2.545 -8.211 -18.653 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.361 -6.556 -16.993 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.799 -7.687 -15.778 1.00 0.00 H new ATOM 0 HG SER A 103 -0.078 -6.374 -16.618 1.00 0.00 H new ATOM 1587 N GLY A 104 -0.330 -9.457 -18.800 1.00 0.00 N ATOM 1588 CA GLY A 104 0.743 -10.400 -19.068 1.00 0.00 C ATOM 1589 C GLY A 104 1.291 -10.218 -20.485 1.00 0.00 C ATOM 1590 O GLY A 104 2.448 -9.839 -20.663 1.00 0.00 O ATOM 0 H GLY A 104 -0.341 -8.638 -19.408 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.545 -10.260 -18.343 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.376 -11.419 -18.944 1.00 0.00 H new TER 1594 GLY A 104