USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 755 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 44 TYR OH : rot 79:sc= 0.238 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -126:sc= 1.25 (180deg=-0.0123) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -0.0473 USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.463 K(o=-0.51,f=-1) USER MOD Set 3.1: A 43 TYR OH : rot -144:sc= -0.0121 USER MOD Set 3.2: A 65 GLN : amide:sc= -0.952 K(o=-0.96,f=0.67) USER MOD Single : A 1 GLU N :NH3+ -167:sc= 0 (180deg=-0.152) USER MOD Single : A 8 THR OG1 : rot 65:sc= 0.526 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 16 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.009 X(o=-0.009,f=-0.011) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -79:sc= 1.19 USER MOD Single : A 39 TYR OH : rot -29:sc= 0.169 USER MOD Single : A 42 THR OG1 : rot 149:sc= -1.64 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 73:sc= 1.03 USER MOD Single : A 63 TYR OH : rot -173:sc= 0.075 USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.836 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.085) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= 0.844 (180deg=0.454) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.705 K(o=-0.71,f=-0.14) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 97 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.063) USER MOD Single : A 98 HIS : no HD1:sc= -0.111 K(o=0.28,f=-4.5!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -11.826 -1.067 18.561 1.00 0.00 N ATOM 2 CA GLU A 1 -10.822 -1.724 17.702 1.00 0.00 C ATOM 3 C GLU A 1 -11.519 -2.752 16.800 1.00 0.00 C ATOM 4 O GLU A 1 -11.531 -3.957 17.081 1.00 0.00 O ATOM 5 CB GLU A 1 -9.699 -2.364 18.564 1.00 0.00 C ATOM 6 CG GLU A 1 -9.057 -1.395 19.581 1.00 0.00 C ATOM 7 CD GLU A 1 -7.793 -1.965 20.244 1.00 0.00 C ATOM 8 OE1 GLU A 1 -7.916 -2.869 21.097 1.00 0.00 O ATOM 9 OE2 GLU A 1 -6.674 -1.516 19.915 1.00 0.00 O ATOM 0 H1 GLU A 1 -11.404 -0.228 19.009 1.00 0.00 H new ATOM 0 H2 GLU A 1 -12.641 -0.778 17.983 1.00 0.00 H new ATOM 0 H3 GLU A 1 -12.141 -1.731 19.297 1.00 0.00 H new ATOM 0 HA GLU A 1 -10.343 -0.983 17.062 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -10.110 -3.218 19.102 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -8.922 -2.748 17.903 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -8.806 -0.462 19.076 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -9.787 -1.153 20.353 1.00 0.00 H new ATOM 18 N ASP A 2 -12.148 -2.238 15.734 1.00 0.00 N ATOM 19 CA ASP A 2 -12.961 -3.029 14.798 1.00 0.00 C ATOM 20 C ASP A 2 -12.209 -3.193 13.473 1.00 0.00 C ATOM 21 O ASP A 2 -11.605 -2.231 12.994 1.00 0.00 O ATOM 22 CB ASP A 2 -14.317 -2.318 14.548 1.00 0.00 C ATOM 23 CG ASP A 2 -15.104 -2.075 15.844 1.00 0.00 C ATOM 24 OD1 ASP A 2 -14.894 -1.019 16.484 1.00 0.00 O ATOM 25 OD2 ASP A 2 -15.900 -2.946 16.252 1.00 0.00 O ATOM 0 H ASP A 2 -12.106 -1.248 15.494 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.149 -4.013 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.137 -1.364 14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.920 -2.921 13.869 1.00 0.00 H new ATOM 30 N PRO A 3 -12.272 -4.395 12.823 1.00 0.00 N ATOM 31 CA PRO A 3 -11.525 -4.657 11.570 1.00 0.00 C ATOM 32 C PRO A 3 -12.110 -3.894 10.353 1.00 0.00 C ATOM 33 O PRO A 3 -11.525 -3.914 9.283 1.00 0.00 O ATOM 34 CB PRO A 3 -11.653 -6.193 11.411 1.00 0.00 C ATOM 35 CG PRO A 3 -12.971 -6.511 12.040 1.00 0.00 C ATOM 36 CD PRO A 3 -13.083 -5.582 13.229 1.00 0.00 C ATOM 0 HA PRO A 3 -10.492 -4.311 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.629 -6.489 10.362 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.836 -6.716 11.909 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.790 -6.352 11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.016 -7.555 12.351 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.119 -5.310 13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.693 -6.043 14.136 1.00 0.00 H new ATOM 44 N GLU A 4 -13.273 -3.230 10.533 1.00 0.00 N ATOM 45 CA GLU A 4 -13.913 -2.413 9.477 1.00 0.00 C ATOM 46 C GLU A 4 -13.359 -0.972 9.475 1.00 0.00 C ATOM 47 O GLU A 4 -13.555 -0.222 8.509 1.00 0.00 O ATOM 48 CB GLU A 4 -15.449 -2.433 9.654 1.00 0.00 C ATOM 49 CG GLU A 4 -16.049 -3.857 9.705 1.00 0.00 C ATOM 50 CD GLU A 4 -17.581 -3.870 9.614 1.00 0.00 C ATOM 51 OE1 GLU A 4 -18.252 -3.675 10.650 1.00 0.00 O ATOM 52 OE2 GLU A 4 -18.119 -4.074 8.505 1.00 0.00 O ATOM 0 H GLU A 4 -13.793 -3.245 11.410 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.675 -2.846 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.707 -1.906 10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.908 -1.884 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.638 -4.447 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.742 -4.341 10.632 1.00 0.00 H new ATOM 59 N ASP A 5 -12.658 -0.607 10.560 1.00 0.00 N ATOM 60 CA ASP A 5 -11.918 0.667 10.648 1.00 0.00 C ATOM 61 C ASP A 5 -10.631 0.563 9.791 1.00 0.00 C ATOM 62 O ASP A 5 -9.886 -0.418 9.940 1.00 0.00 O ATOM 63 CB ASP A 5 -11.557 0.995 12.123 1.00 0.00 C ATOM 64 CG ASP A 5 -10.718 2.285 12.284 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.305 3.371 12.414 1.00 0.00 O ATOM 66 OD2 ASP A 5 -9.466 2.220 12.268 1.00 0.00 O ATOM 0 H ASP A 5 -12.587 -1.182 11.399 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.547 1.473 10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.477 1.096 12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.004 0.157 12.548 1.00 0.00 H new ATOM 71 N PRO A 6 -10.374 1.551 8.862 1.00 0.00 N ATOM 72 CA PRO A 6 -9.169 1.577 7.995 1.00 0.00 C ATOM 73 C PRO A 6 -7.837 1.327 8.739 1.00 0.00 C ATOM 74 O PRO A 6 -7.126 0.371 8.422 1.00 0.00 O ATOM 75 CB PRO A 6 -9.214 2.991 7.367 1.00 0.00 C ATOM 76 CG PRO A 6 -10.669 3.306 7.293 1.00 0.00 C ATOM 77 CD PRO A 6 -11.279 2.687 8.536 1.00 0.00 C ATOM 0 HA PRO A 6 -9.192 0.766 7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.679 3.717 7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.752 3.004 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.837 4.383 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.115 2.892 6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.328 3.405 9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.297 2.344 8.351 1.00 0.00 H new ATOM 85 N PHE A 7 -7.535 2.155 9.753 1.00 0.00 N ATOM 86 CA PHE A 7 -6.251 2.085 10.489 1.00 0.00 C ATOM 87 C PHE A 7 -6.107 0.764 11.272 1.00 0.00 C ATOM 88 O PHE A 7 -4.991 0.262 11.429 1.00 0.00 O ATOM 89 CB PHE A 7 -6.098 3.311 11.434 1.00 0.00 C ATOM 90 CG PHE A 7 -4.850 3.277 12.336 1.00 0.00 C ATOM 91 CD1 PHE A 7 -3.570 3.398 11.794 1.00 0.00 C ATOM 92 CD2 PHE A 7 -4.958 3.107 13.718 1.00 0.00 C ATOM 93 CE1 PHE A 7 -2.445 3.349 12.596 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.830 3.061 14.516 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.576 3.180 13.959 1.00 0.00 C ATOM 0 H PHE A 7 -8.163 2.886 10.087 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.448 2.110 9.753 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.068 4.217 10.829 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.984 3.379 12.065 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.456 3.532 10.728 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.935 3.010 14.169 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.463 3.443 12.155 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.933 2.931 15.583 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.698 3.141 14.587 1.00 0.00 H new ATOM 105 N THR A 8 -7.235 0.214 11.756 1.00 0.00 N ATOM 106 CA THR A 8 -7.228 -1.024 12.558 1.00 0.00 C ATOM 107 C THR A 8 -6.899 -2.261 11.681 1.00 0.00 C ATOM 108 O THR A 8 -6.085 -3.097 12.075 1.00 0.00 O ATOM 109 CB THR A 8 -8.589 -1.220 13.304 1.00 0.00 C ATOM 110 OG1 THR A 8 -8.883 -0.051 14.091 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.586 -2.455 14.227 1.00 0.00 C ATOM 0 H THR A 8 -8.164 0.607 11.606 1.00 0.00 H new ATOM 0 HA THR A 8 -6.442 -0.925 13.307 1.00 0.00 H new ATOM 0 HB THR A 8 -9.351 -1.376 12.541 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.028 0.715 13.497 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.554 -2.543 14.720 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.397 -3.351 13.636 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.805 -2.345 14.979 1.00 0.00 H new ATOM 119 N ARG A 9 -7.532 -2.354 10.485 1.00 0.00 N ATOM 120 CA ARG A 9 -7.304 -3.476 9.527 1.00 0.00 C ATOM 121 C ARG A 9 -5.916 -3.327 8.856 1.00 0.00 C ATOM 122 O ARG A 9 -5.301 -4.312 8.447 1.00 0.00 O ATOM 123 CB ARG A 9 -8.463 -3.565 8.479 1.00 0.00 C ATOM 124 CG ARG A 9 -8.454 -2.501 7.347 1.00 0.00 C ATOM 125 CD ARG A 9 -9.860 -2.001 6.927 1.00 0.00 C ATOM 126 NE ARG A 9 -10.805 -3.082 6.609 1.00 0.00 N ATOM 127 CZ ARG A 9 -12.105 -2.908 6.310 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.615 -1.700 6.138 1.00 0.00 N ATOM 129 NH2 ARG A 9 -12.896 -3.957 6.181 1.00 0.00 N ATOM 0 H ARG A 9 -8.208 -1.665 10.156 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.307 -4.418 10.076 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.433 -4.553 8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.411 -3.490 9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.860 -1.647 7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.955 -2.921 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.275 -1.394 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.759 -1.352 6.057 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.447 -4.037 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.020 -0.877 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.604 -1.591 5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.521 -4.897 6.308 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.882 -3.827 5.954 1.00 0.00 H new ATOM 143 N TYR A 10 -5.452 -2.068 8.772 1.00 0.00 N ATOM 144 CA TYR A 10 -4.095 -1.695 8.323 1.00 0.00 C ATOM 145 C TYR A 10 -3.038 -2.223 9.306 1.00 0.00 C ATOM 146 O TYR A 10 -2.065 -2.862 8.901 1.00 0.00 O ATOM 147 CB TYR A 10 -4.022 -0.149 8.195 1.00 0.00 C ATOM 148 CG TYR A 10 -2.619 0.467 8.024 1.00 0.00 C ATOM 149 CD1 TYR A 10 -1.910 0.345 6.824 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.026 1.206 9.059 1.00 0.00 C ATOM 151 CE1 TYR A 10 -0.665 0.926 6.672 1.00 0.00 C ATOM 152 CE2 TYR A 10 -0.787 1.790 8.900 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.113 1.651 7.708 1.00 0.00 C ATOM 154 OH TYR A 10 1.116 2.236 7.553 1.00 0.00 O ATOM 0 H TYR A 10 -6.023 -1.260 9.020 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.888 -2.145 7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.631 0.151 7.342 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.479 0.288 9.083 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.342 -0.211 6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.549 1.319 9.997 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.125 0.813 5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.347 2.355 9.708 1.00 0.00 H new ATOM 0 HH TYR A 10 1.359 2.710 8.376 1.00 0.00 H new ATOM 164 N ALA A 11 -3.269 -1.948 10.603 1.00 0.00 N ATOM 165 CA ALA A 11 -2.389 -2.389 11.699 1.00 0.00 C ATOM 166 C ALA A 11 -2.394 -3.924 11.806 1.00 0.00 C ATOM 167 O ALA A 11 -1.360 -4.532 12.060 1.00 0.00 O ATOM 168 CB ALA A 11 -2.824 -1.744 13.028 1.00 0.00 C ATOM 0 H ALA A 11 -4.076 -1.411 10.921 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.371 -2.067 11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.164 -2.079 13.828 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.767 -0.659 12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.849 -2.036 13.256 1.00 0.00 H new ATOM 174 N LEU A 12 -3.578 -4.524 11.571 1.00 0.00 N ATOM 175 CA LEU A 12 -3.782 -5.981 11.599 1.00 0.00 C ATOM 176 C LEU A 12 -3.047 -6.651 10.427 1.00 0.00 C ATOM 177 O LEU A 12 -2.543 -7.770 10.563 1.00 0.00 O ATOM 178 CB LEU A 12 -5.304 -6.310 11.574 1.00 0.00 C ATOM 179 CG LEU A 12 -5.709 -7.821 11.674 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.087 -8.507 12.912 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.251 -7.979 11.653 1.00 0.00 C ATOM 0 H LEU A 12 -4.427 -4.002 11.354 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.364 -6.379 12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.779 -5.777 12.398 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.722 -5.908 10.651 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.304 -8.328 10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.394 -9.552 12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.000 -8.450 12.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.428 -8.003 13.817 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.509 -9.036 11.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.683 -7.443 12.498 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.646 -7.570 10.723 1.00 0.00 H new ATOM 193 N ALA A 13 -2.984 -5.947 9.287 1.00 0.00 N ATOM 194 CA ALA A 13 -2.223 -6.384 8.106 1.00 0.00 C ATOM 195 C ALA A 13 -0.716 -6.412 8.411 1.00 0.00 C ATOM 196 O ALA A 13 -0.027 -7.377 8.078 1.00 0.00 O ATOM 197 CB ALA A 13 -2.537 -5.480 6.906 1.00 0.00 C ATOM 0 H ALA A 13 -3.461 -5.055 9.157 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.525 -7.399 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.967 -5.815 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.602 -5.531 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.265 -4.452 7.144 1.00 0.00 H new ATOM 203 N GLN A 14 -0.233 -5.353 9.087 1.00 0.00 N ATOM 204 CA GLN A 14 1.171 -5.255 9.535 1.00 0.00 C ATOM 205 C GLN A 14 1.517 -6.380 10.535 1.00 0.00 C ATOM 206 O GLN A 14 2.628 -6.930 10.504 1.00 0.00 O ATOM 207 CB GLN A 14 1.430 -3.871 10.179 1.00 0.00 C ATOM 208 CG GLN A 14 1.204 -2.671 9.242 1.00 0.00 C ATOM 209 CD GLN A 14 1.519 -1.338 9.919 1.00 0.00 C ATOM 210 OE1 GLN A 14 0.649 -0.707 10.521 1.00 0.00 O ATOM 211 NE2 GLN A 14 2.773 -0.922 9.854 1.00 0.00 N ATOM 0 H GLN A 14 -0.801 -4.544 9.338 1.00 0.00 H new ATOM 0 HA GLN A 14 1.813 -5.369 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.781 -3.763 11.048 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.457 -3.842 10.543 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.829 -2.782 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.168 -2.668 8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.467 -1.471 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.046 -0.052 10.312 1.00 0.00 H new ATOM 220 N GLU A 15 0.545 -6.720 11.409 1.00 0.00 N ATOM 221 CA GLU A 15 0.676 -7.832 12.369 1.00 0.00 C ATOM 222 C GLU A 15 0.823 -9.162 11.622 1.00 0.00 C ATOM 223 O GLU A 15 1.689 -9.957 11.956 1.00 0.00 O ATOM 224 CB GLU A 15 -0.542 -7.901 13.319 1.00 0.00 C ATOM 225 CG GLU A 15 -0.674 -6.716 14.294 1.00 0.00 C ATOM 226 CD GLU A 15 -1.906 -6.828 15.210 1.00 0.00 C ATOM 227 OE1 GLU A 15 -1.800 -7.442 16.297 1.00 0.00 O ATOM 228 OE2 GLU A 15 -2.988 -6.320 14.846 1.00 0.00 O ATOM 0 H GLU A 15 -0.349 -6.232 11.467 1.00 0.00 H new ATOM 0 HA GLU A 15 1.568 -7.651 12.968 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.450 -7.961 12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.481 -8.823 13.897 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.225 -6.655 14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.734 -5.789 13.725 1.00 0.00 H new ATOM 235 N HIS A 16 -0.040 -9.379 10.609 1.00 0.00 N ATOM 236 CA HIS A 16 -0.020 -10.594 9.769 1.00 0.00 C ATOM 237 C HIS A 16 1.328 -10.765 9.046 1.00 0.00 C ATOM 238 O HIS A 16 1.814 -11.879 8.926 1.00 0.00 O ATOM 239 CB HIS A 16 -1.180 -10.602 8.740 1.00 0.00 C ATOM 240 CG HIS A 16 -2.549 -10.865 9.312 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.818 -11.901 10.179 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.725 -10.232 9.124 1.00 0.00 C ATOM 243 CE1 HIS A 16 -4.098 -11.890 10.493 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.670 -10.886 9.868 1.00 0.00 N ATOM 0 H HIS A 16 -0.771 -8.716 10.350 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.157 -11.439 10.444 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.197 -9.639 8.229 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.968 -11.359 7.985 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.891 -9.366 8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.593 -12.588 11.152 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.657 -10.635 9.927 1.00 0.00 H new ATOM 253 N LEU A 17 1.920 -9.652 8.586 1.00 0.00 N ATOM 254 CA LEU A 17 3.248 -9.663 7.935 1.00 0.00 C ATOM 255 C LEU A 17 4.326 -10.197 8.894 1.00 0.00 C ATOM 256 O LEU A 17 5.149 -11.035 8.518 1.00 0.00 O ATOM 257 CB LEU A 17 3.617 -8.243 7.443 1.00 0.00 C ATOM 258 CG LEU A 17 2.766 -7.701 6.254 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.144 -6.253 5.893 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.886 -8.622 5.027 1.00 0.00 C ATOM 0 H LEU A 17 1.500 -8.725 8.652 1.00 0.00 H new ATOM 0 HA LEU A 17 3.200 -10.330 7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.521 -7.551 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.666 -8.242 7.146 1.00 0.00 H new ATOM 0 HG LEU A 17 1.725 -7.694 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.528 -5.913 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.977 -5.608 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.195 -6.212 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.283 -8.222 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.929 -8.677 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.531 -9.620 5.285 1.00 0.00 H new ATOM 272 N LYS A 18 4.277 -9.726 10.149 1.00 0.00 N ATOM 273 CA LYS A 18 5.217 -10.150 11.202 1.00 0.00 C ATOM 274 C LYS A 18 4.913 -11.588 11.674 1.00 0.00 C ATOM 275 O LYS A 18 5.814 -12.311 12.105 1.00 0.00 O ATOM 276 CB LYS A 18 5.162 -9.151 12.384 1.00 0.00 C ATOM 277 CG LYS A 18 5.575 -7.706 12.009 1.00 0.00 C ATOM 278 CD LYS A 18 5.540 -6.737 13.217 1.00 0.00 C ATOM 279 CE LYS A 18 6.527 -7.131 14.332 1.00 0.00 C ATOM 280 NZ LYS A 18 6.496 -6.175 15.468 1.00 0.00 N ATOM 0 H LYS A 18 3.588 -9.043 10.464 1.00 0.00 H new ATOM 0 HA LYS A 18 6.226 -10.151 10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.149 -9.135 12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.815 -9.509 13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.581 -7.718 11.588 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.909 -7.333 11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.771 -5.729 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.530 -6.711 13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.285 -8.131 14.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.536 -7.175 13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.175 -6.478 16.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.752 -5.225 15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.540 -6.151 15.876 1.00 0.00 H new ATOM 294 N HIS A 19 3.632 -11.986 11.586 1.00 0.00 N ATOM 295 CA HIS A 19 3.169 -13.356 11.898 1.00 0.00 C ATOM 296 C HIS A 19 3.266 -14.296 10.675 1.00 0.00 C ATOM 297 O HIS A 19 2.736 -15.401 10.734 1.00 0.00 O ATOM 298 CB HIS A 19 1.705 -13.329 12.427 1.00 0.00 C ATOM 299 CG HIS A 19 1.529 -12.815 13.839 1.00 0.00 C ATOM 300 ND1 HIS A 19 0.766 -13.469 14.787 1.00 0.00 N ATOM 301 CD2 HIS A 19 2.010 -11.709 14.461 1.00 0.00 C ATOM 302 CE1 HIS A 19 0.775 -12.782 15.912 1.00 0.00 C ATOM 303 NE2 HIS A 19 1.525 -11.716 15.741 1.00 0.00 N ATOM 0 H HIS A 19 2.879 -11.363 11.294 1.00 0.00 H new ATOM 0 HA HIS A 19 3.829 -13.748 12.672 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.107 -12.711 11.757 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.300 -14.340 12.374 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.656 -10.961 14.026 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.255 -13.049 16.820 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.715 -11.007 16.449 1.00 0.00 H new ATOM 312 N ASP A 20 3.900 -13.830 9.570 1.00 0.00 N ATOM 313 CA ASP A 20 4.169 -14.639 8.339 1.00 0.00 C ATOM 314 C ASP A 20 2.898 -14.824 7.447 1.00 0.00 C ATOM 315 O ASP A 20 2.999 -15.293 6.313 1.00 0.00 O ATOM 316 CB ASP A 20 4.849 -16.009 8.700 1.00 0.00 C ATOM 317 CG ASP A 20 5.183 -16.905 7.492 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.164 -16.608 6.771 1.00 0.00 O ATOM 319 OD2 ASP A 20 4.440 -17.884 7.237 1.00 0.00 O ATOM 0 H ASP A 20 4.245 -12.873 9.501 1.00 0.00 H new ATOM 0 HA ASP A 20 4.875 -14.072 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.768 -15.808 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.190 -16.560 9.371 1.00 0.00 H new ATOM 324 N ASN A 21 1.716 -14.403 7.952 1.00 0.00 N ATOM 325 CA ASN A 21 0.416 -14.478 7.233 1.00 0.00 C ATOM 326 C ASN A 21 0.295 -13.354 6.161 1.00 0.00 C ATOM 327 O ASN A 21 -0.638 -12.541 6.194 1.00 0.00 O ATOM 328 CB ASN A 21 -0.762 -14.382 8.259 1.00 0.00 C ATOM 329 CG ASN A 21 -0.721 -15.449 9.357 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.164 -15.226 10.431 1.00 0.00 O ATOM 331 ND2 ASN A 21 -1.294 -16.615 9.099 1.00 0.00 N ATOM 0 H ASN A 21 1.633 -13.995 8.883 1.00 0.00 H new ATOM 0 HA ASN A 21 0.366 -15.436 6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.746 -13.396 8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.706 -14.465 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.281 -17.356 9.800 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.749 -16.772 8.200 1.00 0.00 H new ATOM 338 N ALA A 22 1.237 -13.343 5.191 1.00 0.00 N ATOM 339 CA ALA A 22 1.339 -12.302 4.152 1.00 0.00 C ATOM 340 C ALA A 22 0.098 -12.276 3.242 1.00 0.00 C ATOM 341 O ALA A 22 -0.291 -11.213 2.780 1.00 0.00 O ATOM 342 CB ALA A 22 2.623 -12.509 3.325 1.00 0.00 C ATOM 0 H ALA A 22 1.953 -14.065 5.110 1.00 0.00 H new ATOM 0 HA ALA A 22 1.389 -11.333 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.691 -11.736 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.492 -12.448 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.595 -13.489 2.849 1.00 0.00 H new ATOM 348 N SER A 23 -0.483 -13.467 2.985 1.00 0.00 N ATOM 349 CA SER A 23 -1.733 -13.633 2.216 1.00 0.00 C ATOM 350 C SER A 23 -2.918 -12.879 2.868 1.00 0.00 C ATOM 351 O SER A 23 -3.626 -12.125 2.192 1.00 0.00 O ATOM 352 CB SER A 23 -2.052 -15.140 2.064 1.00 0.00 C ATOM 353 OG SER A 23 -2.094 -15.787 3.324 1.00 0.00 O ATOM 0 H SER A 23 -0.092 -14.351 3.310 1.00 0.00 H new ATOM 0 HA SER A 23 -1.587 -13.195 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.010 -15.262 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.297 -15.612 1.435 1.00 0.00 H new ATOM 0 HG SER A 23 -2.299 -16.737 3.197 1.00 0.00 H new ATOM 359 N ARG A 24 -3.104 -13.065 4.192 1.00 0.00 N ATOM 360 CA ARG A 24 -4.185 -12.400 4.953 1.00 0.00 C ATOM 361 C ARG A 24 -3.912 -10.885 5.098 1.00 0.00 C ATOM 362 O ARG A 24 -4.846 -10.087 5.152 1.00 0.00 O ATOM 363 CB ARG A 24 -4.357 -13.077 6.345 1.00 0.00 C ATOM 364 CG ARG A 24 -4.952 -14.506 6.293 1.00 0.00 C ATOM 365 CD ARG A 24 -6.387 -14.525 5.724 1.00 0.00 C ATOM 366 NE ARG A 24 -6.979 -15.885 5.694 1.00 0.00 N ATOM 367 CZ ARG A 24 -8.046 -16.255 4.950 1.00 0.00 C ATOM 368 NH1 ARG A 24 -8.623 -15.408 4.113 1.00 0.00 N ATOM 369 NH2 ARG A 24 -8.532 -17.485 5.042 1.00 0.00 N ATOM 0 H ARG A 24 -2.515 -13.674 4.760 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.117 -12.512 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.385 -13.119 6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.001 -12.451 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.312 -15.141 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.956 -14.932 7.296 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.020 -13.872 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.377 -14.116 4.714 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.547 -16.598 6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.264 -14.458 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.427 -15.705 3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.101 -18.158 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.337 -17.759 4.479 1.00 0.00 H new ATOM 383 N ALA A 25 -2.615 -10.519 5.157 1.00 0.00 N ATOM 384 CA ALA A 25 -2.163 -9.111 5.169 1.00 0.00 C ATOM 385 C ALA A 25 -2.476 -8.429 3.829 1.00 0.00 C ATOM 386 O ALA A 25 -2.937 -7.286 3.790 1.00 0.00 O ATOM 387 CB ALA A 25 -0.659 -9.048 5.448 1.00 0.00 C ATOM 0 H ALA A 25 -1.850 -11.192 5.198 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.698 -8.583 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.334 -8.008 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.449 -9.501 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.122 -9.591 4.670 1.00 0.00 H new ATOM 393 N LEU A 26 -2.248 -9.189 2.743 1.00 0.00 N ATOM 394 CA LEU A 26 -2.441 -8.738 1.356 1.00 0.00 C ATOM 395 C LEU A 26 -3.921 -8.438 1.124 1.00 0.00 C ATOM 396 O LEU A 26 -4.277 -7.432 0.513 1.00 0.00 O ATOM 397 CB LEU A 26 -1.948 -9.838 0.370 1.00 0.00 C ATOM 398 CG LEU A 26 -1.965 -9.464 -1.143 1.00 0.00 C ATOM 399 CD1 LEU A 26 -0.935 -8.368 -1.468 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.764 -10.711 -2.037 1.00 0.00 C ATOM 0 H LEU A 26 -1.918 -10.152 2.808 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.862 -7.831 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.929 -10.112 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.565 -10.725 0.510 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.952 -9.058 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.976 -8.134 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.162 -7.472 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.064 -8.721 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.781 -10.414 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.804 -11.173 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.565 -11.426 -1.849 1.00 0.00 H new ATOM 412 N ALA A 27 -4.758 -9.349 1.645 1.00 0.00 N ATOM 413 CA ALA A 27 -6.218 -9.237 1.629 1.00 0.00 C ATOM 414 C ALA A 27 -6.696 -7.944 2.307 1.00 0.00 C ATOM 415 O ALA A 27 -7.522 -7.240 1.746 1.00 0.00 O ATOM 416 CB ALA A 27 -6.835 -10.468 2.311 1.00 0.00 C ATOM 0 H ALA A 27 -4.427 -10.201 2.098 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.547 -9.195 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.922 -10.384 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.535 -11.369 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.487 -10.525 3.342 1.00 0.00 H new ATOM 422 N LEU A 28 -6.151 -7.643 3.507 1.00 0.00 N ATOM 423 CA LEU A 28 -6.527 -6.441 4.295 1.00 0.00 C ATOM 424 C LEU A 28 -6.098 -5.130 3.627 1.00 0.00 C ATOM 425 O LEU A 28 -6.812 -4.132 3.726 1.00 0.00 O ATOM 426 CB LEU A 28 -5.943 -6.516 5.727 1.00 0.00 C ATOM 427 CG LEU A 28 -6.474 -7.674 6.613 1.00 0.00 C ATOM 428 CD1 LEU A 28 -5.849 -7.627 8.015 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.011 -7.664 6.689 1.00 0.00 C ATOM 0 H LEU A 28 -5.442 -8.221 3.957 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.616 -6.438 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.859 -6.608 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.149 -5.573 6.233 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.175 -8.612 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.239 -8.450 8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.766 -7.718 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.098 -6.680 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.350 -8.488 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.348 -6.720 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.426 -7.777 5.687 1.00 0.00 H new ATOM 441 N PHE A 29 -4.924 -5.130 2.972 1.00 0.00 N ATOM 442 CA PHE A 29 -4.428 -3.954 2.242 1.00 0.00 C ATOM 443 C PHE A 29 -5.276 -3.708 0.970 1.00 0.00 C ATOM 444 O PHE A 29 -5.640 -2.578 0.662 1.00 0.00 O ATOM 445 CB PHE A 29 -2.936 -4.113 1.868 1.00 0.00 C ATOM 446 CG PHE A 29 -1.924 -3.969 3.007 1.00 0.00 C ATOM 447 CD1 PHE A 29 -1.930 -2.840 3.828 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.942 -4.938 3.233 1.00 0.00 C ATOM 449 CE1 PHE A 29 -0.990 -2.689 4.833 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.007 -4.788 4.241 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.032 -3.665 5.044 1.00 0.00 C ATOM 0 H PHE A 29 -4.300 -5.936 2.934 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.521 -3.090 2.900 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.801 -5.095 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.696 -3.374 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.677 -2.075 3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.913 -5.819 2.609 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.004 -1.806 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.743 -5.549 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.694 -3.549 5.835 1.00 0.00 H new ATOM 461 N GLU A 30 -5.582 -4.782 0.234 1.00 0.00 N ATOM 462 CA GLU A 30 -6.466 -4.726 -0.954 1.00 0.00 C ATOM 463 C GLU A 30 -7.921 -4.391 -0.567 1.00 0.00 C ATOM 464 O GLU A 30 -8.660 -3.793 -1.360 1.00 0.00 O ATOM 465 CB GLU A 30 -6.392 -6.060 -1.734 1.00 0.00 C ATOM 466 CG GLU A 30 -5.054 -6.280 -2.465 1.00 0.00 C ATOM 467 CD GLU A 30 -5.064 -7.518 -3.368 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.500 -7.415 -4.530 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.646 -8.597 -2.931 1.00 0.00 O ATOM 0 H GLU A 30 -5.229 -5.717 0.438 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.114 -3.922 -1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.556 -6.885 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.202 -6.090 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.825 -5.400 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.256 -6.380 -1.729 1.00 0.00 H new ATOM 476 N GLU A 31 -8.300 -4.752 0.668 1.00 0.00 N ATOM 477 CA GLU A 31 -9.617 -4.446 1.244 1.00 0.00 C ATOM 478 C GLU A 31 -9.681 -2.953 1.610 1.00 0.00 C ATOM 479 O GLU A 31 -10.723 -2.317 1.468 1.00 0.00 O ATOM 480 CB GLU A 31 -9.830 -5.326 2.491 1.00 0.00 C ATOM 481 CG GLU A 31 -11.157 -5.141 3.244 1.00 0.00 C ATOM 482 CD GLU A 31 -11.212 -5.983 4.529 1.00 0.00 C ATOM 483 OE1 GLU A 31 -10.386 -5.740 5.426 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.081 -6.870 4.658 1.00 0.00 O ATOM 0 H GLU A 31 -7.693 -5.271 1.302 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.406 -4.657 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.752 -6.370 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.013 -5.134 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.288 -4.088 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.985 -5.419 2.593 1.00 0.00 H new ATOM 491 N LEU A 32 -8.545 -2.426 2.088 1.00 0.00 N ATOM 492 CA LEU A 32 -8.351 -0.992 2.345 1.00 0.00 C ATOM 493 C LEU A 32 -8.558 -0.169 1.066 1.00 0.00 C ATOM 494 O LEU A 32 -9.298 0.789 1.082 1.00 0.00 O ATOM 495 CB LEU A 32 -6.928 -0.748 2.911 1.00 0.00 C ATOM 496 CG LEU A 32 -6.748 -0.915 4.444 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.266 -1.143 4.822 1.00 0.00 C ATOM 498 CD2 LEU A 32 -7.324 0.312 5.175 1.00 0.00 C ATOM 0 H LEU A 32 -7.725 -2.991 2.310 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.092 -0.671 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.242 -1.432 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.623 0.263 2.641 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.297 -1.802 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.179 -1.255 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.900 -2.046 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.672 -0.289 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.195 0.189 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.800 1.210 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.385 0.407 4.946 1.00 0.00 H new ATOM 510 N VAL A 33 -7.893 -0.583 -0.032 1.00 0.00 N ATOM 511 CA VAL A 33 -7.953 0.112 -1.340 1.00 0.00 C ATOM 512 C VAL A 33 -9.408 0.237 -1.841 1.00 0.00 C ATOM 513 O VAL A 33 -9.852 1.329 -2.220 1.00 0.00 O ATOM 514 CB VAL A 33 -7.061 -0.624 -2.430 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.214 -0.003 -3.843 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.575 -0.631 -2.002 1.00 0.00 C ATOM 0 H VAL A 33 -7.297 -1.411 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.552 1.114 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.421 -1.651 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.583 -0.544 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.255 -0.072 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.912 1.044 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.980 -1.139 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.223 0.395 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.473 -1.154 -1.051 1.00 0.00 H new ATOM 526 N GLU A 34 -10.134 -0.895 -1.831 1.00 0.00 N ATOM 527 CA GLU A 34 -11.508 -0.959 -2.353 1.00 0.00 C ATOM 528 C GLU A 34 -12.531 -0.180 -1.475 1.00 0.00 C ATOM 529 O GLU A 34 -13.350 0.576 -2.017 1.00 0.00 O ATOM 530 CB GLU A 34 -11.955 -2.430 -2.560 1.00 0.00 C ATOM 531 CG GLU A 34 -11.997 -3.282 -1.282 1.00 0.00 C ATOM 532 CD GLU A 34 -12.470 -4.719 -1.513 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.649 -5.565 -1.914 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.669 -5.001 -1.316 1.00 0.00 O ATOM 0 H GLU A 34 -9.788 -1.782 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.494 -0.460 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.946 -2.432 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.278 -2.903 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.002 -3.304 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.658 -2.804 -0.559 1.00 0.00 H new ATOM 541 N THR A 35 -12.500 -0.350 -0.132 1.00 0.00 N ATOM 542 CA THR A 35 -13.501 0.268 0.765 1.00 0.00 C ATOM 543 C THR A 35 -13.157 1.737 1.088 1.00 0.00 C ATOM 544 O THR A 35 -14.057 2.578 1.220 1.00 0.00 O ATOM 545 CB THR A 35 -13.648 -0.542 2.107 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.393 -0.566 2.815 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.119 -1.992 1.860 1.00 0.00 C ATOM 0 H THR A 35 -11.795 -0.908 0.351 1.00 0.00 H new ATOM 0 HA THR A 35 -14.450 0.245 0.229 1.00 0.00 H new ATOM 0 HB THR A 35 -14.405 -0.035 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.803 -1.238 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.207 -2.513 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.089 -1.980 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.394 -2.508 1.230 1.00 0.00 H new ATOM 555 N ASP A 36 -11.855 2.031 1.193 1.00 0.00 N ATOM 556 CA ASP A 36 -11.339 3.362 1.574 1.00 0.00 C ATOM 557 C ASP A 36 -10.125 3.724 0.675 1.00 0.00 C ATOM 558 O ASP A 36 -8.967 3.515 1.068 1.00 0.00 O ATOM 559 CB ASP A 36 -10.942 3.373 3.082 1.00 0.00 C ATOM 560 CG ASP A 36 -10.763 4.794 3.649 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.777 5.469 3.313 1.00 0.00 O ATOM 562 OD2 ASP A 36 -11.630 5.249 4.425 1.00 0.00 O ATOM 0 H ASP A 36 -11.119 1.348 1.015 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.117 4.111 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.708 2.853 3.657 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.013 2.817 3.211 1.00 0.00 H new ATOM 567 N PRO A 37 -10.370 4.249 -0.571 1.00 0.00 N ATOM 568 CA PRO A 37 -9.289 4.676 -1.502 1.00 0.00 C ATOM 569 C PRO A 37 -8.456 5.862 -0.957 1.00 0.00 C ATOM 570 O PRO A 37 -7.343 6.114 -1.425 1.00 0.00 O ATOM 571 CB PRO A 37 -10.058 5.073 -2.801 1.00 0.00 C ATOM 572 CG PRO A 37 -11.402 4.427 -2.656 1.00 0.00 C ATOM 573 CD PRO A 37 -11.701 4.459 -1.181 1.00 0.00 C ATOM 0 HA PRO A 37 -8.555 3.885 -1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.146 6.155 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.541 4.717 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.161 4.966 -3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.390 3.404 -3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.139 5.410 -0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.405 3.678 -0.894 1.00 0.00 H new ATOM 581 N ASP A 38 -9.014 6.550 0.053 1.00 0.00 N ATOM 582 CA ASP A 38 -8.433 7.759 0.657 1.00 0.00 C ATOM 583 C ASP A 38 -7.193 7.411 1.490 1.00 0.00 C ATOM 584 O ASP A 38 -6.279 8.232 1.616 1.00 0.00 O ATOM 585 CB ASP A 38 -9.487 8.454 1.558 1.00 0.00 C ATOM 586 CG ASP A 38 -10.836 8.643 0.850 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.008 9.650 0.133 1.00 0.00 O ATOM 588 OD2 ASP A 38 -11.727 7.768 0.985 1.00 0.00 O ATOM 0 H ASP A 38 -9.899 6.275 0.480 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.134 8.434 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.635 7.862 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.107 9.426 1.873 1.00 0.00 H new ATOM 593 N TYR A 39 -7.194 6.194 2.070 1.00 0.00 N ATOM 594 CA TYR A 39 -6.126 5.723 2.962 1.00 0.00 C ATOM 595 C TYR A 39 -4.819 5.481 2.163 1.00 0.00 C ATOM 596 O TYR A 39 -4.591 4.398 1.619 1.00 0.00 O ATOM 597 CB TYR A 39 -6.576 4.449 3.742 1.00 0.00 C ATOM 598 CG TYR A 39 -5.848 4.262 5.082 1.00 0.00 C ATOM 599 CD1 TYR A 39 -4.648 3.560 5.167 1.00 0.00 C ATOM 600 CD2 TYR A 39 -6.366 4.808 6.261 1.00 0.00 C ATOM 601 CE1 TYR A 39 -3.993 3.409 6.363 1.00 0.00 C ATOM 602 CE2 TYR A 39 -5.708 4.662 7.462 1.00 0.00 C ATOM 603 CZ TYR A 39 -4.528 3.959 7.508 1.00 0.00 C ATOM 604 OH TYR A 39 -3.871 3.816 8.698 1.00 0.00 O ATOM 0 H TYR A 39 -7.939 5.512 1.930 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.921 6.497 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.649 4.505 3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.404 3.571 3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.225 3.126 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.298 5.353 6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.063 2.862 6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.117 5.097 8.362 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.360 2.980 8.691 1.00 0.00 H new ATOM 614 N VAL A 40 -3.988 6.533 2.104 1.00 0.00 N ATOM 615 CA VAL A 40 -2.727 6.556 1.331 1.00 0.00 C ATOM 616 C VAL A 40 -1.678 5.589 1.931 1.00 0.00 C ATOM 617 O VAL A 40 -0.868 4.994 1.200 1.00 0.00 O ATOM 618 CB VAL A 40 -2.137 8.011 1.273 1.00 0.00 C ATOM 619 CG1 VAL A 40 -0.877 8.073 0.385 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.201 9.036 0.809 1.00 0.00 C ATOM 0 H VAL A 40 -4.172 7.407 2.598 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.960 6.225 0.319 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.840 8.282 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.495 9.094 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.114 7.407 0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.131 7.762 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.759 10.032 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.555 8.767 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.039 9.031 1.506 1.00 0.00 H new ATOM 630 N GLY A 41 -1.743 5.427 3.269 1.00 0.00 N ATOM 631 CA GLY A 41 -0.825 4.565 4.023 1.00 0.00 C ATOM 632 C GLY A 41 -0.885 3.109 3.584 1.00 0.00 C ATOM 633 O GLY A 41 0.099 2.375 3.706 1.00 0.00 O ATOM 0 H GLY A 41 -2.437 5.894 3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.194 4.934 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.064 4.629 5.085 1.00 0.00 H new ATOM 637 N THR A 42 -2.055 2.702 3.064 1.00 0.00 N ATOM 638 CA THR A 42 -2.256 1.390 2.454 1.00 0.00 C ATOM 639 C THR A 42 -1.276 1.162 1.299 1.00 0.00 C ATOM 640 O THR A 42 -0.478 0.239 1.342 1.00 0.00 O ATOM 641 CB THR A 42 -3.699 1.264 1.890 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.646 1.477 2.933 1.00 0.00 O ATOM 643 CG2 THR A 42 -3.927 -0.100 1.225 1.00 0.00 C ATOM 0 H THR A 42 -2.892 3.285 3.058 1.00 0.00 H new ATOM 0 HA THR A 42 -2.088 0.646 3.233 1.00 0.00 H new ATOM 0 HB THR A 42 -3.832 2.027 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.457 1.882 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.946 -0.152 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.223 -0.226 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.773 -0.892 1.958 1.00 0.00 H new ATOM 651 N TYR A 43 -1.330 2.079 0.318 1.00 0.00 N ATOM 652 CA TYR A 43 -0.731 1.897 -1.014 1.00 0.00 C ATOM 653 C TYR A 43 0.785 1.667 -0.952 1.00 0.00 C ATOM 654 O TYR A 43 1.320 0.825 -1.679 1.00 0.00 O ATOM 655 CB TYR A 43 -1.069 3.110 -1.910 1.00 0.00 C ATOM 656 CG TYR A 43 -2.572 3.244 -2.225 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.130 2.615 -3.343 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.429 3.997 -1.417 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.469 2.727 -3.634 1.00 0.00 C ATOM 660 CE2 TYR A 43 -4.771 4.107 -1.711 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.281 3.474 -2.822 1.00 0.00 C ATOM 662 OH TYR A 43 -6.614 3.595 -3.124 1.00 0.00 O ATOM 0 H TYR A 43 -1.797 2.979 0.430 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.162 0.995 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.727 4.021 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.516 3.025 -2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.495 2.029 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.033 4.501 -0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.879 2.228 -4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.420 4.688 -1.072 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.921 4.497 -2.894 1.00 0.00 H new ATOM 672 N TYR A 44 1.455 2.440 -0.090 1.00 0.00 N ATOM 673 CA TYR A 44 2.891 2.297 0.186 1.00 0.00 C ATOM 674 C TYR A 44 3.239 0.875 0.682 1.00 0.00 C ATOM 675 O TYR A 44 3.999 0.154 0.035 1.00 0.00 O ATOM 676 CB TYR A 44 3.302 3.373 1.223 1.00 0.00 C ATOM 677 CG TYR A 44 4.815 3.582 1.353 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.542 4.198 0.327 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.513 3.200 2.499 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.896 4.416 0.444 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.871 3.418 2.614 1.00 0.00 C ATOM 682 CZ TYR A 44 7.552 4.032 1.585 1.00 0.00 C ATOM 683 OH TYR A 44 8.902 4.260 1.695 1.00 0.00 O ATOM 0 H TYR A 44 1.012 3.190 0.441 1.00 0.00 H new ATOM 0 HA TYR A 44 3.451 2.445 -0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.839 4.321 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.901 3.093 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.031 4.508 -0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.981 2.725 3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.440 4.888 -0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.397 3.109 3.505 1.00 0.00 H new ATOM 0 HH TYR A 44 9.057 5.199 1.930 1.00 0.00 H new ATOM 693 N HIS A 45 2.621 0.489 1.813 1.00 0.00 N ATOM 694 CA HIS A 45 2.890 -0.801 2.504 1.00 0.00 C ATOM 695 C HIS A 45 2.415 -2.020 1.676 1.00 0.00 C ATOM 696 O HIS A 45 3.009 -3.101 1.749 1.00 0.00 O ATOM 697 CB HIS A 45 2.233 -0.800 3.909 1.00 0.00 C ATOM 698 CG HIS A 45 2.795 0.241 4.839 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.467 -0.059 6.002 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.789 1.589 4.765 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.846 1.057 6.586 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.442 2.067 5.857 1.00 0.00 N ATOM 0 H HIS A 45 1.917 1.060 2.281 1.00 0.00 H new ATOM 0 HA HIS A 45 3.970 -0.896 2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.161 -0.635 3.799 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.360 -1.784 4.360 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.345 2.181 3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.398 1.128 7.512 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.593 3.052 6.073 1.00 0.00 H new ATOM 711 N LEU A 46 1.362 -1.816 0.872 1.00 0.00 N ATOM 712 CA LEU A 46 0.796 -2.848 -0.015 1.00 0.00 C ATOM 713 C LEU A 46 1.724 -3.070 -1.215 1.00 0.00 C ATOM 714 O LEU A 46 1.903 -4.201 -1.659 1.00 0.00 O ATOM 715 CB LEU A 46 -0.633 -2.445 -0.488 1.00 0.00 C ATOM 716 CG LEU A 46 -1.310 -3.364 -1.563 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.307 -4.857 -1.160 1.00 0.00 C ATOM 718 CD2 LEU A 46 -2.743 -2.888 -1.879 1.00 0.00 C ATOM 0 H LEU A 46 0.873 -0.922 0.817 1.00 0.00 H new ATOM 0 HA LEU A 46 0.713 -3.782 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.283 -2.411 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.585 -1.433 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.706 -3.278 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.788 -5.446 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.279 -5.197 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.851 -4.982 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.188 -3.544 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.344 -2.915 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.711 -1.868 -2.263 1.00 0.00 H new ATOM 730 N GLY A 47 2.305 -1.970 -1.716 1.00 0.00 N ATOM 731 CA GLY A 47 3.256 -2.022 -2.815 1.00 0.00 C ATOM 732 C GLY A 47 4.539 -2.738 -2.415 1.00 0.00 C ATOM 733 O GLY A 47 5.087 -3.520 -3.190 1.00 0.00 O ATOM 0 H GLY A 47 2.124 -1.029 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.803 -2.534 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.491 -1.009 -3.141 1.00 0.00 H new ATOM 737 N LYS A 48 4.999 -2.479 -1.177 1.00 0.00 N ATOM 738 CA LYS A 48 6.194 -3.136 -0.604 1.00 0.00 C ATOM 739 C LYS A 48 5.982 -4.646 -0.476 1.00 0.00 C ATOM 740 O LYS A 48 6.901 -5.435 -0.722 1.00 0.00 O ATOM 741 CB LYS A 48 6.550 -2.522 0.778 1.00 0.00 C ATOM 742 CG LYS A 48 6.909 -1.024 0.725 1.00 0.00 C ATOM 743 CD LYS A 48 8.033 -0.719 -0.291 1.00 0.00 C ATOM 744 CE LYS A 48 8.382 0.769 -0.368 1.00 0.00 C ATOM 745 NZ LYS A 48 8.987 1.255 0.894 1.00 0.00 N ATOM 0 H LYS A 48 4.556 -1.811 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 48 7.028 -2.965 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.705 -2.659 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.390 -3.072 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.020 -0.450 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.220 -0.693 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.925 -1.282 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.727 -1.066 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.074 0.938 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.481 1.343 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.456 2.080 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.955 0.499 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.976 1.527 0.723 1.00 0.00 H new ATOM 759 N LEU A 49 4.757 -5.022 -0.071 1.00 0.00 N ATOM 760 CA LEU A 49 4.343 -6.424 0.043 1.00 0.00 C ATOM 761 C LEU A 49 4.286 -7.078 -1.350 1.00 0.00 C ATOM 762 O LEU A 49 4.732 -8.216 -1.513 1.00 0.00 O ATOM 763 CB LEU A 49 2.978 -6.521 0.781 1.00 0.00 C ATOM 764 CG LEU A 49 2.353 -7.949 0.928 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.366 -8.975 1.499 1.00 0.00 C ATOM 766 CD2 LEU A 49 1.063 -7.898 1.782 1.00 0.00 C ATOM 0 H LEU A 49 4.027 -4.358 0.186 1.00 0.00 H new ATOM 0 HA LEU A 49 5.079 -6.970 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.101 -6.100 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.262 -5.890 0.255 1.00 0.00 H new ATOM 0 HG LEU A 49 2.088 -8.292 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.887 -9.951 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.225 -9.048 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.699 -8.648 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.646 -8.901 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.299 -7.514 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.335 -7.243 1.303 1.00 0.00 H new ATOM 778 N TYR A 50 3.750 -6.338 -2.342 1.00 0.00 N ATOM 779 CA TYR A 50 3.730 -6.772 -3.750 1.00 0.00 C ATOM 780 C TYR A 50 5.143 -7.104 -4.251 1.00 0.00 C ATOM 781 O TYR A 50 5.352 -8.174 -4.807 1.00 0.00 O ATOM 782 CB TYR A 50 3.054 -5.711 -4.672 1.00 0.00 C ATOM 783 CG TYR A 50 1.519 -5.782 -4.734 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.864 -7.014 -4.813 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.731 -4.629 -4.726 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.507 -7.092 -4.880 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.645 -4.710 -4.794 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.257 -5.941 -4.868 1.00 0.00 C ATOM 789 OH TYR A 50 -2.627 -6.021 -4.924 1.00 0.00 O ATOM 0 H TYR A 50 3.321 -5.426 -2.188 1.00 0.00 H new ATOM 0 HA TYR A 50 3.130 -7.681 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.342 -4.718 -4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.448 -5.826 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.447 -7.923 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.205 -3.660 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.993 -8.055 -4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.241 -3.809 -4.789 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.008 -5.118 -4.905 1.00 0.00 H new ATOM 799 N GLU A 51 6.106 -6.204 -4.005 1.00 0.00 N ATOM 800 CA GLU A 51 7.512 -6.407 -4.421 1.00 0.00 C ATOM 801 C GLU A 51 8.100 -7.711 -3.820 1.00 0.00 C ATOM 802 O GLU A 51 8.833 -8.445 -4.499 1.00 0.00 O ATOM 803 CB GLU A 51 8.376 -5.187 -4.025 1.00 0.00 C ATOM 804 CG GLU A 51 7.958 -3.863 -4.699 1.00 0.00 C ATOM 805 CD GLU A 51 8.894 -2.695 -4.352 1.00 0.00 C ATOM 806 OE1 GLU A 51 9.982 -2.591 -4.961 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.580 -1.906 -3.434 1.00 0.00 O ATOM 0 H GLU A 51 5.941 -5.323 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 51 7.526 -6.507 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.330 -5.060 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.416 -5.396 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.942 -4.001 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.942 -3.611 -4.395 1.00 0.00 H new ATOM 814 N ARG A 52 7.713 -8.001 -2.561 1.00 0.00 N ATOM 815 CA ARG A 52 8.120 -9.232 -1.846 1.00 0.00 C ATOM 816 C ARG A 52 7.464 -10.484 -2.465 1.00 0.00 C ATOM 817 O ARG A 52 8.064 -11.558 -2.481 1.00 0.00 O ATOM 818 CB ARG A 52 7.773 -9.122 -0.334 1.00 0.00 C ATOM 819 CG ARG A 52 8.549 -8.022 0.422 1.00 0.00 C ATOM 820 CD ARG A 52 8.195 -7.957 1.918 1.00 0.00 C ATOM 821 NE ARG A 52 9.025 -6.966 2.625 1.00 0.00 N ATOM 822 CZ ARG A 52 10.052 -7.242 3.451 1.00 0.00 C ATOM 823 NH1 ARG A 52 10.424 -8.491 3.693 1.00 0.00 N ATOM 824 NH2 ARG A 52 10.708 -6.256 4.032 1.00 0.00 N ATOM 0 H ARG A 52 7.110 -7.390 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 52 9.200 -9.338 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.705 -8.931 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.972 -10.082 0.142 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.619 -8.201 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.340 -7.056 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.142 -7.700 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.335 -8.939 2.369 1.00 0.00 H new ATOM 0 HE ARG A 52 8.801 -5.982 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.929 -9.265 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.205 -8.678 4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.437 -5.289 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.487 -6.461 4.658 1.00 0.00 H new ATOM 838 N LEU A 53 6.229 -10.326 -2.963 1.00 0.00 N ATOM 839 CA LEU A 53 5.470 -11.403 -3.638 1.00 0.00 C ATOM 840 C LEU A 53 5.789 -11.499 -5.152 1.00 0.00 C ATOM 841 O LEU A 53 5.047 -12.157 -5.884 1.00 0.00 O ATOM 842 CB LEU A 53 3.952 -11.161 -3.421 1.00 0.00 C ATOM 843 CG LEU A 53 3.468 -11.111 -1.937 1.00 0.00 C ATOM 844 CD1 LEU A 53 1.973 -10.743 -1.854 1.00 0.00 C ATOM 845 CD2 LEU A 53 3.773 -12.435 -1.192 1.00 0.00 C ATOM 0 H LEU A 53 5.720 -9.443 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 53 5.770 -12.354 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.683 -10.220 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.402 -11.950 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 53 4.030 -10.325 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.663 -10.715 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.814 -9.764 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.384 -11.489 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.422 -12.362 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.264 -13.259 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.848 -12.616 -1.197 1.00 0.00 H new ATOM 857 N ASP A 54 6.884 -10.828 -5.609 1.00 0.00 N ATOM 858 CA ASP A 54 7.339 -10.817 -7.037 1.00 0.00 C ATOM 859 C ASP A 54 6.315 -10.093 -7.968 1.00 0.00 C ATOM 860 O ASP A 54 6.352 -10.207 -9.199 1.00 0.00 O ATOM 861 CB ASP A 54 7.671 -12.272 -7.524 1.00 0.00 C ATOM 862 CG ASP A 54 8.391 -12.340 -8.886 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.530 -11.840 -8.980 1.00 0.00 O ATOM 864 OD2 ASP A 54 7.823 -12.888 -9.866 1.00 0.00 O ATOM 0 H ASP A 54 7.482 -10.275 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 54 8.260 -10.237 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.293 -12.760 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.743 -12.841 -7.588 1.00 0.00 H new ATOM 869 N ARG A 55 5.428 -9.315 -7.343 1.00 0.00 N ATOM 870 CA ARG A 55 4.406 -8.489 -8.008 1.00 0.00 C ATOM 871 C ARG A 55 4.870 -7.007 -8.021 1.00 0.00 C ATOM 872 O ARG A 55 4.081 -6.098 -7.784 1.00 0.00 O ATOM 873 CB ARG A 55 3.050 -8.630 -7.247 1.00 0.00 C ATOM 874 CG ARG A 55 2.536 -10.068 -7.027 1.00 0.00 C ATOM 875 CD ARG A 55 2.339 -10.850 -8.335 1.00 0.00 C ATOM 876 NE ARG A 55 1.433 -10.171 -9.277 1.00 0.00 N ATOM 877 CZ ARG A 55 0.844 -10.738 -10.341 1.00 0.00 C ATOM 878 NH1 ARG A 55 0.903 -12.046 -10.543 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.183 -9.975 -11.194 1.00 0.00 N ATOM 0 H ARG A 55 5.397 -9.237 -6.326 1.00 0.00 H new ATOM 0 HA ARG A 55 4.269 -8.824 -9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.153 -8.151 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.290 -8.075 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.241 -10.606 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.589 -10.030 -6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.307 -10.999 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.942 -11.839 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 55 1.236 -9.185 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.403 -12.642 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.448 -12.457 -11.358 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.125 -8.968 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.270 -10.393 -12.007 1.00 0.00 H new ATOM 893 N THR A 56 6.167 -6.783 -8.323 1.00 0.00 N ATOM 894 CA THR A 56 6.806 -5.445 -8.300 1.00 0.00 C ATOM 895 C THR A 56 6.155 -4.471 -9.317 1.00 0.00 C ATOM 896 O THR A 56 6.070 -3.266 -9.071 1.00 0.00 O ATOM 897 CB THR A 56 8.340 -5.582 -8.573 1.00 0.00 C ATOM 898 OG1 THR A 56 8.891 -6.588 -7.703 1.00 0.00 O ATOM 899 CG2 THR A 56 9.099 -4.256 -8.362 1.00 0.00 C ATOM 0 H THR A 56 6.807 -7.530 -8.592 1.00 0.00 H new ATOM 0 HA THR A 56 6.653 -5.020 -7.308 1.00 0.00 H new ATOM 0 HB THR A 56 8.461 -5.866 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.852 -6.677 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.159 -4.407 -8.565 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.704 -3.499 -9.040 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.970 -3.923 -7.332 1.00 0.00 H new ATOM 907 N ASP A 57 5.675 -5.023 -10.444 1.00 0.00 N ATOM 908 CA ASP A 57 4.922 -4.256 -11.462 1.00 0.00 C ATOM 909 C ASP A 57 3.553 -3.799 -10.907 1.00 0.00 C ATOM 910 O ASP A 57 3.110 -2.668 -11.147 1.00 0.00 O ATOM 911 CB ASP A 57 4.723 -5.111 -12.738 1.00 0.00 C ATOM 912 CG ASP A 57 3.870 -4.403 -13.808 1.00 0.00 C ATOM 913 OD1 ASP A 57 4.348 -3.426 -14.404 1.00 0.00 O ATOM 914 OD2 ASP A 57 2.725 -4.810 -14.048 1.00 0.00 O ATOM 0 H ASP A 57 5.795 -6.008 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 57 5.501 -3.368 -11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.697 -5.355 -13.161 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.248 -6.054 -12.467 1.00 0.00 H new ATOM 919 N ASP A 58 2.895 -4.706 -10.170 1.00 0.00 N ATOM 920 CA ASP A 58 1.601 -4.440 -9.504 1.00 0.00 C ATOM 921 C ASP A 58 1.773 -3.377 -8.411 1.00 0.00 C ATOM 922 O ASP A 58 0.853 -2.599 -8.146 1.00 0.00 O ATOM 923 CB ASP A 58 1.028 -5.739 -8.888 1.00 0.00 C ATOM 924 CG ASP A 58 0.868 -6.856 -9.924 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.891 -7.475 -10.298 1.00 0.00 O ATOM 926 OD2 ASP A 58 -0.261 -7.126 -10.373 1.00 0.00 O ATOM 0 H ASP A 58 3.244 -5.652 -10.015 1.00 0.00 H new ATOM 0 HA ASP A 58 0.901 -4.070 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.686 -6.080 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.060 -5.526 -8.435 1.00 0.00 H new ATOM 931 N ALA A 59 2.970 -3.376 -7.789 1.00 0.00 N ATOM 932 CA ALA A 59 3.378 -2.365 -6.811 1.00 0.00 C ATOM 933 C ALA A 59 3.362 -0.971 -7.448 1.00 0.00 C ATOM 934 O ALA A 59 2.846 -0.036 -6.849 1.00 0.00 O ATOM 935 CB ALA A 59 4.767 -2.686 -6.240 1.00 0.00 C ATOM 0 H ALA A 59 3.682 -4.087 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 59 2.665 -2.377 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.048 -1.921 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.743 -3.659 -5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.497 -2.706 -7.049 1.00 0.00 H new ATOM 941 N ILE A 60 3.886 -0.873 -8.694 1.00 0.00 N ATOM 942 CA ILE A 60 3.944 0.402 -9.464 1.00 0.00 C ATOM 943 C ILE A 60 2.537 0.992 -9.640 1.00 0.00 C ATOM 944 O ILE A 60 2.335 2.202 -9.495 1.00 0.00 O ATOM 945 CB ILE A 60 4.596 0.220 -10.896 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.945 -0.557 -10.811 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.784 1.587 -11.611 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.948 0.040 -9.848 1.00 0.00 C ATOM 0 H ILE A 60 4.280 -1.669 -9.195 1.00 0.00 H new ATOM 0 HA ILE A 60 4.572 1.079 -8.884 1.00 0.00 H new ATOM 0 HB ILE A 60 3.906 -0.375 -11.494 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.740 -1.585 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.392 -0.596 -11.805 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.234 1.426 -12.591 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.815 2.071 -11.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.436 2.224 -11.013 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.857 -0.561 -9.850 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.186 1.058 -10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.525 0.054 -8.844 1.00 0.00 H new ATOM 960 N ASP A 61 1.580 0.101 -9.953 1.00 0.00 N ATOM 961 CA ASP A 61 0.161 0.464 -10.140 1.00 0.00 C ATOM 962 C ASP A 61 -0.459 0.956 -8.815 1.00 0.00 C ATOM 963 O ASP A 61 -1.214 1.927 -8.801 1.00 0.00 O ATOM 964 CB ASP A 61 -0.637 -0.747 -10.688 1.00 0.00 C ATOM 965 CG ASP A 61 -2.118 -0.426 -10.974 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.416 0.127 -12.055 1.00 0.00 O ATOM 967 OD2 ASP A 61 -2.988 -0.704 -10.115 1.00 0.00 O ATOM 0 H ASP A 61 1.767 -0.893 -10.084 1.00 0.00 H new ATOM 0 HA ASP A 61 0.110 1.277 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.165 -1.098 -11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.582 -1.564 -9.969 1.00 0.00 H new ATOM 972 N THR A 62 -0.112 0.270 -7.709 1.00 0.00 N ATOM 973 CA THR A 62 -0.589 0.611 -6.353 1.00 0.00 C ATOM 974 C THR A 62 -0.069 2.005 -5.923 1.00 0.00 C ATOM 975 O THR A 62 -0.804 2.807 -5.337 1.00 0.00 O ATOM 976 CB THR A 62 -0.121 -0.478 -5.326 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.416 -1.779 -5.845 1.00 0.00 O ATOM 978 CG2 THR A 62 -0.797 -0.325 -3.954 1.00 0.00 C ATOM 0 H THR A 62 0.509 -0.539 -7.730 1.00 0.00 H new ATOM 0 HA THR A 62 -1.678 0.640 -6.370 1.00 0.00 H new ATOM 0 HB THR A 62 0.952 -0.347 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.205 -1.989 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.437 -1.104 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.557 0.653 -3.537 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.877 -0.415 -4.069 1.00 0.00 H new ATOM 986 N TYR A 63 1.206 2.279 -6.253 1.00 0.00 N ATOM 987 CA TYR A 63 1.858 3.561 -5.952 1.00 0.00 C ATOM 988 C TYR A 63 1.227 4.692 -6.785 1.00 0.00 C ATOM 989 O TYR A 63 0.945 5.749 -6.247 1.00 0.00 O ATOM 990 CB TYR A 63 3.386 3.501 -6.208 1.00 0.00 C ATOM 991 CG TYR A 63 4.159 2.504 -5.326 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.897 2.392 -3.959 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.160 1.684 -5.857 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.594 1.504 -3.169 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.855 0.796 -5.068 1.00 0.00 C ATOM 996 CZ TYR A 63 5.568 0.712 -3.725 1.00 0.00 C ATOM 997 OH TYR A 63 6.250 -0.175 -2.940 1.00 0.00 O ATOM 0 H TYR A 63 1.812 1.616 -6.736 1.00 0.00 H new ATOM 0 HA TYR A 63 1.704 3.766 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.553 3.242 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.803 4.496 -6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.134 3.013 -3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.393 1.749 -6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.375 1.431 -2.114 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.621 0.169 -5.500 1.00 0.00 H new ATOM 0 HH TYR A 63 6.982 -0.573 -3.456 1.00 0.00 H new ATOM 1007 N ALA A 64 0.999 4.431 -8.092 1.00 0.00 N ATOM 1008 CA ALA A 64 0.411 5.405 -9.046 1.00 0.00 C ATOM 1009 C ALA A 64 -1.032 5.796 -8.663 1.00 0.00 C ATOM 1010 O ALA A 64 -1.384 6.983 -8.642 1.00 0.00 O ATOM 1011 CB ALA A 64 0.444 4.824 -10.469 1.00 0.00 C ATOM 0 H ALA A 64 1.219 3.532 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 64 1.013 6.313 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.011 5.542 -11.165 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.476 4.618 -10.754 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.132 3.899 -10.498 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.845 4.772 -8.352 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.237 4.939 -7.884 1.00 0.00 C ATOM 1019 C GLN A 65 -3.219 5.727 -6.562 1.00 0.00 C ATOM 1020 O GLN A 65 -4.073 6.586 -6.310 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.917 3.530 -7.707 1.00 0.00 C ATOM 1022 CG GLN A 65 -5.431 3.443 -8.090 1.00 0.00 C ATOM 1023 CD GLN A 65 -6.460 3.613 -6.946 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -7.533 3.016 -6.986 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.182 4.441 -5.951 1.00 0.00 N ATOM 0 H GLN A 65 -1.555 3.796 -8.418 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.821 5.495 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.369 2.806 -8.310 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.808 3.225 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.634 4.205 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.606 2.475 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.287 4.930 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.862 4.589 -5.206 1.00 0.00 H new ATOM 1034 N GLY A 66 -2.227 5.387 -5.732 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.958 6.077 -4.489 1.00 0.00 C ATOM 1036 C GLY A 66 -1.561 7.533 -4.670 1.00 0.00 C ATOM 1037 O GLY A 66 -1.919 8.347 -3.852 1.00 0.00 O ATOM 0 H GLY A 66 -1.587 4.614 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.845 6.028 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.160 5.556 -3.960 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.804 7.849 -5.738 1.00 0.00 N ATOM 1042 CA ILE A 67 -0.281 9.218 -6.012 1.00 0.00 C ATOM 1043 C ILE A 67 -1.432 10.223 -6.213 1.00 0.00 C ATOM 1044 O ILE A 67 -1.345 11.381 -5.771 1.00 0.00 O ATOM 1045 CB ILE A 67 0.695 9.185 -7.264 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.082 8.600 -6.844 1.00 0.00 C ATOM 1047 CG2 ILE A 67 0.852 10.561 -7.974 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.013 8.290 -7.992 1.00 0.00 C ATOM 0 H ILE A 67 -0.532 7.164 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 67 0.288 9.556 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 67 0.235 8.531 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.573 9.309 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.917 7.687 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.533 10.459 -8.819 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.121 10.899 -8.331 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.254 11.290 -7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.949 7.889 -7.603 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.548 7.555 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.214 9.202 -8.554 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.508 9.732 -6.842 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.753 10.483 -7.075 1.00 0.00 C ATOM 1062 C GLU A 68 -4.355 10.942 -5.736 1.00 0.00 C ATOM 1063 O GLU A 68 -4.650 12.120 -5.535 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.753 9.559 -7.825 1.00 0.00 C ATOM 1065 CG GLU A 68 -4.226 9.004 -9.163 1.00 0.00 C ATOM 1066 CD GLU A 68 -4.093 10.085 -10.249 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.127 10.526 -10.790 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -2.963 10.516 -10.556 1.00 0.00 O ATOM 0 H GLU A 68 -2.540 8.782 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.545 11.369 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.013 8.723 -7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.672 10.115 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.254 8.539 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.898 8.222 -9.516 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.478 9.978 -4.817 1.00 0.00 N ATOM 1076 CA VAL A 69 -5.072 10.198 -3.488 1.00 0.00 C ATOM 1077 C VAL A 69 -4.041 10.802 -2.496 1.00 0.00 C ATOM 1078 O VAL A 69 -4.424 11.372 -1.489 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.727 8.882 -2.908 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.751 8.286 -3.908 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.676 7.822 -2.505 1.00 0.00 C ATOM 0 H VAL A 69 -4.168 9.019 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.873 10.926 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.253 9.169 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.188 7.381 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.539 9.014 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.247 8.043 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.181 6.939 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.086 7.545 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.019 8.234 -1.739 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.736 10.665 -2.790 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.645 11.102 -1.888 1.00 0.00 C ATOM 1093 C ALA A 70 -1.511 12.618 -1.868 1.00 0.00 C ATOM 1094 O ALA A 70 -1.289 13.213 -0.828 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.306 10.478 -2.296 1.00 0.00 C ATOM 0 H ALA A 70 -2.403 10.248 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.907 10.761 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.476 10.817 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.382 9.392 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.058 10.781 -3.313 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.582 13.217 -3.056 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.486 14.673 -3.224 1.00 0.00 C ATOM 1103 C ARG A 71 -2.745 15.398 -2.689 1.00 0.00 C ATOM 1104 O ARG A 71 -2.632 16.472 -2.095 1.00 0.00 O ATOM 1105 CB ARG A 71 -1.221 14.995 -4.714 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.344 14.585 -5.688 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.876 14.510 -7.146 1.00 0.00 C ATOM 1108 NE ARG A 71 -1.049 15.673 -7.525 1.00 0.00 N ATOM 1109 CZ ARG A 71 0.129 15.608 -8.163 1.00 0.00 C ATOM 1110 NH1 ARG A 71 0.633 14.442 -8.547 1.00 0.00 N ATOM 1111 NH2 ARG A 71 0.821 16.704 -8.397 1.00 0.00 N ATOM 0 H ARG A 71 -1.708 12.709 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.651 15.045 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.051 16.067 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.300 14.497 -5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.740 13.614 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.163 15.301 -5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.304 13.595 -7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.744 14.454 -7.802 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.401 16.599 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.123 13.579 -8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.530 14.409 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.462 17.609 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.716 16.648 -8.883 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.936 14.791 -2.892 1.00 0.00 N ATOM 1126 CA GLU A 72 -5.229 15.417 -2.532 1.00 0.00 C ATOM 1127 C GLU A 72 -5.639 15.104 -1.079 1.00 0.00 C ATOM 1128 O GLU A 72 -5.911 16.015 -0.291 1.00 0.00 O ATOM 1129 CB GLU A 72 -6.334 14.935 -3.513 1.00 0.00 C ATOM 1130 CG GLU A 72 -6.048 15.259 -4.993 1.00 0.00 C ATOM 1131 CD GLU A 72 -7.161 14.789 -5.942 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.283 13.569 -6.167 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -7.929 15.635 -6.462 1.00 0.00 O ATOM 0 H GLU A 72 -4.029 13.863 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.109 16.498 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.455 13.857 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.282 15.392 -3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.916 16.335 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.108 14.791 -5.286 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.676 13.804 -0.744 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.167 13.312 0.566 1.00 0.00 C ATOM 1142 C GLU A 73 -5.058 13.284 1.619 1.00 0.00 C ATOM 1143 O GLU A 73 -5.327 13.513 2.805 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.806 11.899 0.414 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.935 11.835 -0.641 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.993 12.942 -0.457 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.641 12.983 0.613 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -9.193 13.764 -1.378 1.00 0.00 O ATOM 0 H GLU A 73 -5.368 13.060 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.929 14.011 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.028 11.186 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.205 11.585 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.500 11.918 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.422 10.861 -0.586 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.827 12.981 1.187 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.656 12.989 2.071 1.00 0.00 C ATOM 1157 C GLY A 74 -1.844 14.266 1.919 1.00 0.00 C ATOM 1158 O GLY A 74 -2.334 15.258 1.368 1.00 0.00 O ATOM 0 H GLY A 74 -3.616 12.725 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.981 12.886 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.026 12.128 1.847 1.00 0.00 H new ATOM 1162 N THR A 75 -0.607 14.245 2.414 1.00 0.00 N ATOM 1163 CA THR A 75 0.338 15.371 2.302 1.00 0.00 C ATOM 1164 C THR A 75 1.318 15.156 1.123 1.00 0.00 C ATOM 1165 O THR A 75 1.340 14.079 0.512 1.00 0.00 O ATOM 1166 CB THR A 75 1.138 15.523 3.637 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.838 14.304 3.933 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.235 15.889 4.823 1.00 0.00 C ATOM 0 H THR A 75 -0.223 13.441 2.910 1.00 0.00 H new ATOM 0 HA THR A 75 -0.231 16.281 2.112 1.00 0.00 H new ATOM 0 HB THR A 75 1.845 16.340 3.493 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.067 14.281 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.839 15.983 5.725 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.265 16.836 4.621 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.512 15.108 4.966 1.00 0.00 H new ATOM 1176 N GLN A 76 2.148 16.184 0.830 1.00 0.00 N ATOM 1177 CA GLN A 76 3.239 16.083 -0.165 1.00 0.00 C ATOM 1178 C GLN A 76 4.310 15.071 0.304 1.00 0.00 C ATOM 1179 O GLN A 76 5.061 14.538 -0.509 1.00 0.00 O ATOM 1180 CB GLN A 76 3.866 17.485 -0.420 1.00 0.00 C ATOM 1181 CG GLN A 76 4.984 17.523 -1.495 1.00 0.00 C ATOM 1182 CD GLN A 76 5.554 18.923 -1.773 1.00 0.00 C ATOM 1183 OE1 GLN A 76 5.565 19.795 -0.907 1.00 0.00 O ATOM 1184 NE2 GLN A 76 6.071 19.134 -2.973 1.00 0.00 N ATOM 0 H GLN A 76 2.081 17.100 1.273 1.00 0.00 H new ATOM 0 HA GLN A 76 2.824 15.719 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.073 18.171 -0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.274 17.859 0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.797 16.870 -1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.590 17.114 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.050 18.394 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.491 20.036 -3.196 1.00 0.00 H new ATOM 1193 N LYS A 77 4.355 14.823 1.629 1.00 0.00 N ATOM 1194 CA LYS A 77 5.189 13.770 2.228 1.00 0.00 C ATOM 1195 C LYS A 77 4.750 12.387 1.702 1.00 0.00 C ATOM 1196 O LYS A 77 5.580 11.624 1.211 1.00 0.00 O ATOM 1197 CB LYS A 77 5.104 13.862 3.788 1.00 0.00 C ATOM 1198 CG LYS A 77 5.836 12.743 4.597 1.00 0.00 C ATOM 1199 CD LYS A 77 4.941 11.512 4.915 1.00 0.00 C ATOM 1200 CE LYS A 77 5.714 10.375 5.599 1.00 0.00 C ATOM 1201 NZ LYS A 77 4.843 9.209 5.872 1.00 0.00 N ATOM 0 H LYS A 77 3.811 15.351 2.312 1.00 0.00 H new ATOM 0 HA LYS A 77 6.231 13.910 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.511 14.826 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.052 13.855 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.708 12.411 4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.203 13.165 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.118 11.824 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.500 11.140 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.546 10.068 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.142 10.737 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.399 8.461 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.063 9.497 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.455 8.849 4.977 1.00 0.00 H new ATOM 1215 N ASP A 78 3.420 12.112 1.773 1.00 0.00 N ATOM 1216 CA ASP A 78 2.820 10.828 1.318 1.00 0.00 C ATOM 1217 C ASP A 78 3.006 10.651 -0.190 1.00 0.00 C ATOM 1218 O ASP A 78 3.296 9.547 -0.674 1.00 0.00 O ATOM 1219 CB ASP A 78 1.307 10.757 1.655 1.00 0.00 C ATOM 1220 CG ASP A 78 1.015 10.723 3.155 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.343 9.712 3.810 1.00 0.00 O ATOM 1222 OD2 ASP A 78 0.457 11.696 3.690 1.00 0.00 O ATOM 0 H ASP A 78 2.736 12.771 2.146 1.00 0.00 H new ATOM 0 HA ASP A 78 3.335 10.026 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.805 11.618 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.881 9.868 1.190 1.00 0.00 H new ATOM 1227 N LEU A 79 2.819 11.767 -0.909 1.00 0.00 N ATOM 1228 CA LEU A 79 3.011 11.851 -2.355 1.00 0.00 C ATOM 1229 C LEU A 79 4.457 11.481 -2.725 1.00 0.00 C ATOM 1230 O LEU A 79 4.682 10.633 -3.590 1.00 0.00 O ATOM 1231 CB LEU A 79 2.661 13.286 -2.843 1.00 0.00 C ATOM 1232 CG LEU A 79 2.774 13.535 -4.378 1.00 0.00 C ATOM 1233 CD1 LEU A 79 1.789 12.645 -5.160 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.583 15.030 -4.726 1.00 0.00 C ATOM 0 H LEU A 79 2.525 12.649 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 79 2.348 11.142 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.642 13.515 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.316 13.992 -2.332 1.00 0.00 H new ATOM 0 HG LEU A 79 3.783 13.258 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.891 12.841 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.009 11.596 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.769 12.868 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.668 15.166 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.597 15.357 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.349 15.621 -4.224 1.00 0.00 H new ATOM 1246 N SER A 80 5.419 12.091 -2.004 1.00 0.00 N ATOM 1247 CA SER A 80 6.858 11.910 -2.238 1.00 0.00 C ATOM 1248 C SER A 80 7.296 10.458 -1.982 1.00 0.00 C ATOM 1249 O SER A 80 8.180 9.949 -2.674 1.00 0.00 O ATOM 1250 CB SER A 80 7.672 12.878 -1.347 1.00 0.00 C ATOM 1251 OG SER A 80 9.067 12.805 -1.618 1.00 0.00 O ATOM 0 H SER A 80 5.212 12.729 -1.236 1.00 0.00 H new ATOM 0 HA SER A 80 7.054 12.137 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.324 13.898 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.493 12.642 -0.298 1.00 0.00 H new ATOM 0 HG SER A 80 9.546 13.432 -1.037 1.00 0.00 H new ATOM 1257 N GLU A 81 6.654 9.809 -0.990 1.00 0.00 N ATOM 1258 CA GLU A 81 6.905 8.397 -0.646 1.00 0.00 C ATOM 1259 C GLU A 81 6.546 7.474 -1.825 1.00 0.00 C ATOM 1260 O GLU A 81 7.341 6.630 -2.220 1.00 0.00 O ATOM 1261 CB GLU A 81 6.084 7.992 0.614 1.00 0.00 C ATOM 1262 CG GLU A 81 6.515 8.661 1.932 1.00 0.00 C ATOM 1263 CD GLU A 81 7.966 8.359 2.335 1.00 0.00 C ATOM 1264 OE1 GLU A 81 8.367 7.181 2.334 1.00 0.00 O ATOM 1265 OE2 GLU A 81 8.709 9.283 2.699 1.00 0.00 O ATOM 0 H GLU A 81 5.946 10.251 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 81 7.967 8.285 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.035 8.228 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.151 6.911 0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.391 9.740 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.850 8.332 2.730 1.00 0.00 H new ATOM 1272 N LEU A 82 5.345 7.671 -2.387 1.00 0.00 N ATOM 1273 CA LEU A 82 4.802 6.802 -3.460 1.00 0.00 C ATOM 1274 C LEU A 82 5.499 7.024 -4.807 1.00 0.00 C ATOM 1275 O LEU A 82 5.704 6.068 -5.565 1.00 0.00 O ATOM 1276 CB LEU A 82 3.285 7.029 -3.594 1.00 0.00 C ATOM 1277 CG LEU A 82 2.457 6.632 -2.339 1.00 0.00 C ATOM 1278 CD1 LEU A 82 0.991 7.024 -2.495 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.593 5.131 -2.021 1.00 0.00 C ATOM 0 H LEU A 82 4.720 8.431 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 82 4.996 5.768 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.106 8.082 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.920 6.460 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 82 2.866 7.187 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.439 6.733 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.915 8.103 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.569 6.517 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.001 4.891 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.235 4.546 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.640 4.893 -1.832 1.00 0.00 H new ATOM 1291 N GLN A 83 5.863 8.285 -5.083 1.00 0.00 N ATOM 1292 CA GLN A 83 6.583 8.668 -6.312 1.00 0.00 C ATOM 1293 C GLN A 83 8.007 8.100 -6.295 1.00 0.00 C ATOM 1294 O GLN A 83 8.492 7.587 -7.309 1.00 0.00 O ATOM 1295 CB GLN A 83 6.612 10.210 -6.469 1.00 0.00 C ATOM 1296 CG GLN A 83 5.229 10.856 -6.711 1.00 0.00 C ATOM 1297 CD GLN A 83 5.244 12.380 -6.873 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.426 12.943 -7.600 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.133 13.066 -6.164 1.00 0.00 N ATOM 0 H GLN A 83 5.668 9.070 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 83 6.054 8.248 -7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.050 10.646 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.269 10.466 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.791 10.415 -7.606 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.575 10.601 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.800 12.574 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.149 14.085 -6.214 1.00 0.00 H new ATOM 1308 N ASP A 84 8.653 8.175 -5.122 1.00 0.00 N ATOM 1309 CA ASP A 84 10.016 7.660 -4.932 1.00 0.00 C ATOM 1310 C ASP A 84 10.024 6.118 -4.960 1.00 0.00 C ATOM 1311 O ASP A 84 10.934 5.499 -5.526 1.00 0.00 O ATOM 1312 CB ASP A 84 10.604 8.174 -3.601 1.00 0.00 C ATOM 1313 CG ASP A 84 12.091 7.826 -3.416 1.00 0.00 C ATOM 1314 OD1 ASP A 84 12.949 8.592 -3.901 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.403 6.786 -2.800 1.00 0.00 O ATOM 0 H ASP A 84 8.248 8.592 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 84 10.637 8.022 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.483 9.256 -3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.034 7.752 -2.773 1.00 0.00 H new ATOM 1320 N ALA A 85 8.983 5.521 -4.350 1.00 0.00 N ATOM 1321 CA ALA A 85 8.842 4.064 -4.231 1.00 0.00 C ATOM 1322 C ALA A 85 8.635 3.406 -5.603 1.00 0.00 C ATOM 1323 O ALA A 85 9.215 2.349 -5.878 1.00 0.00 O ATOM 1324 CB ALA A 85 7.685 3.710 -3.278 1.00 0.00 C ATOM 0 H ALA A 85 8.215 6.041 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 85 9.769 3.672 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.595 2.626 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.885 4.128 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.755 4.125 -3.665 1.00 0.00 H new ATOM 1330 N LYS A 86 7.794 4.027 -6.455 1.00 0.00 N ATOM 1331 CA LYS A 86 7.533 3.499 -7.802 1.00 0.00 C ATOM 1332 C LYS A 86 8.771 3.611 -8.697 1.00 0.00 C ATOM 1333 O LYS A 86 9.090 2.646 -9.361 1.00 0.00 O ATOM 1334 CB LYS A 86 6.299 4.143 -8.494 1.00 0.00 C ATOM 1335 CG LYS A 86 6.414 5.647 -8.796 1.00 0.00 C ATOM 1336 CD LYS A 86 5.261 6.182 -9.671 1.00 0.00 C ATOM 1337 CE LYS A 86 5.208 5.525 -11.062 1.00 0.00 C ATOM 1338 NZ LYS A 86 4.174 6.147 -11.928 1.00 0.00 N ATOM 0 H LYS A 86 7.290 4.886 -6.234 1.00 0.00 H new ATOM 0 HA LYS A 86 7.294 2.445 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.114 3.616 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.426 3.984 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.434 6.199 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.362 5.838 -9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.314 6.012 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.371 7.260 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.183 5.611 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.999 4.461 -10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.170 5.677 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.240 6.043 -11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.388 7.157 -12.053 1.00 0.00 H new ATOM 1352 N LEU A 87 9.488 4.770 -8.685 1.00 0.00 N ATOM 1353 CA LEU A 87 10.624 4.993 -9.617 1.00 0.00 C ATOM 1354 C LEU A 87 11.768 3.999 -9.360 1.00 0.00 C ATOM 1355 O LEU A 87 12.386 3.507 -10.313 1.00 0.00 O ATOM 1356 CB LEU A 87 11.097 6.493 -9.632 1.00 0.00 C ATOM 1357 CG LEU A 87 11.638 7.147 -8.304 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.106 6.774 -7.997 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.469 8.689 -8.328 1.00 0.00 C ATOM 0 H LEU A 87 9.302 5.548 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 87 10.263 4.791 -10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.882 6.581 -10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.258 7.097 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 87 11.030 6.735 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.418 7.256 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.192 5.693 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.745 7.110 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.851 9.111 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.024 9.103 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.413 8.938 -8.432 1.00 0.00 H new ATOM 1371 N LYS A 88 12.023 3.678 -8.071 1.00 0.00 N ATOM 1372 CA LYS A 88 13.079 2.716 -7.701 1.00 0.00 C ATOM 1373 C LYS A 88 12.650 1.275 -8.061 1.00 0.00 C ATOM 1374 O LYS A 88 13.470 0.484 -8.517 1.00 0.00 O ATOM 1375 CB LYS A 88 13.504 2.883 -6.202 1.00 0.00 C ATOM 1376 CG LYS A 88 12.422 2.629 -5.111 1.00 0.00 C ATOM 1377 CD LYS A 88 12.281 1.148 -4.689 1.00 0.00 C ATOM 1378 CE LYS A 88 11.188 0.938 -3.627 1.00 0.00 C ATOM 1379 NZ LYS A 88 11.054 -0.489 -3.257 1.00 0.00 N ATOM 0 H LYS A 88 11.515 4.069 -7.278 1.00 0.00 H new ATOM 0 HA LYS A 88 13.973 2.931 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.337 2.206 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.881 3.897 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.664 3.224 -4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.460 2.983 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.051 0.544 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.235 0.793 -4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.425 1.524 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.235 1.307 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.048 -0.751 -3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.554 -1.077 -3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.466 -0.643 -2.315 1.00 0.00 H new ATOM 1393 N ALA A 89 11.348 0.958 -7.882 1.00 0.00 N ATOM 1394 CA ALA A 89 10.785 -0.375 -8.194 1.00 0.00 C ATOM 1395 C ALA A 89 10.691 -0.610 -9.724 1.00 0.00 C ATOM 1396 O ALA A 89 10.818 -1.747 -10.195 1.00 0.00 O ATOM 1397 CB ALA A 89 9.421 -0.527 -7.502 1.00 0.00 C ATOM 0 H ALA A 89 10.660 1.617 -7.518 1.00 0.00 H new ATOM 0 HA ALA A 89 11.456 -1.143 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.004 -1.508 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.547 -0.428 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.743 0.247 -7.860 1.00 0.00 H new ATOM 1403 N GLU A 90 10.492 0.488 -10.481 1.00 0.00 N ATOM 1404 CA GLU A 90 10.561 0.495 -11.962 1.00 0.00 C ATOM 1405 C GLU A 90 12.010 0.312 -12.418 1.00 0.00 C ATOM 1406 O GLU A 90 12.251 -0.187 -13.502 1.00 0.00 O ATOM 1407 CB GLU A 90 10.005 1.820 -12.550 1.00 0.00 C ATOM 1408 CG GLU A 90 8.494 2.015 -12.375 1.00 0.00 C ATOM 1409 CD GLU A 90 7.997 3.394 -12.840 1.00 0.00 C ATOM 1410 OE1 GLU A 90 8.303 4.399 -12.159 1.00 0.00 O ATOM 1411 OE2 GLU A 90 7.322 3.490 -13.886 1.00 0.00 O ATOM 0 H GLU A 90 10.277 1.402 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 90 9.948 -0.329 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.522 2.656 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.242 1.857 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.968 1.241 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.237 1.880 -11.324 1.00 0.00 H new ATOM 1418 N GLY A 91 12.958 0.779 -11.581 1.00 0.00 N ATOM 1419 CA GLY A 91 14.393 0.580 -11.812 1.00 0.00 C ATOM 1420 C GLY A 91 14.843 -0.859 -11.556 1.00 0.00 C ATOM 1421 O GLY A 91 15.863 -1.301 -12.091 1.00 0.00 O ATOM 0 H GLY A 91 12.746 1.302 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.632 0.852 -12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.957 1.252 -11.165 1.00 0.00 H new ATOM 1425 N LEU A 92 14.076 -1.583 -10.720 1.00 0.00 N ATOM 1426 CA LEU A 92 14.309 -3.015 -10.443 1.00 0.00 C ATOM 1427 C LEU A 92 13.834 -3.852 -11.638 1.00 0.00 C ATOM 1428 O LEU A 92 14.564 -4.709 -12.150 1.00 0.00 O ATOM 1429 CB LEU A 92 13.571 -3.444 -9.147 1.00 0.00 C ATOM 1430 CG LEU A 92 13.970 -2.665 -7.857 1.00 0.00 C ATOM 1431 CD1 LEU A 92 13.114 -3.098 -6.652 1.00 0.00 C ATOM 1432 CD2 LEU A 92 15.487 -2.792 -7.561 1.00 0.00 C ATOM 0 H LEU A 92 13.278 -1.194 -10.218 1.00 0.00 H new ATOM 0 HA LEU A 92 15.376 -3.182 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.499 -3.326 -9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.754 -4.506 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 92 13.766 -1.609 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.418 -2.536 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.063 -2.902 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.255 -4.163 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 92 15.729 -2.236 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.744 -3.842 -7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 92 16.056 -2.387 -8.398 1.00 0.00 H new ATOM 1444 N GLU A 93 12.601 -3.571 -12.087 1.00 0.00 N ATOM 1445 CA GLU A 93 11.992 -4.221 -13.264 1.00 0.00 C ATOM 1446 C GLU A 93 12.136 -3.313 -14.498 1.00 0.00 C ATOM 1447 O GLU A 93 11.198 -3.147 -15.285 1.00 0.00 O ATOM 1448 CB GLU A 93 10.506 -4.565 -12.956 1.00 0.00 C ATOM 1449 CG GLU A 93 10.306 -5.542 -11.777 1.00 0.00 C ATOM 1450 CD GLU A 93 11.057 -6.875 -11.975 1.00 0.00 C ATOM 1451 OE1 GLU A 93 10.558 -7.743 -12.716 1.00 0.00 O ATOM 1452 OE2 GLU A 93 12.163 -7.047 -11.421 1.00 0.00 O ATOM 0 H GLU A 93 11.993 -2.883 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 93 12.509 -5.154 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.969 -3.641 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.053 -4.996 -13.849 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.649 -5.070 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.242 -5.744 -11.654 1.00 0.00 H new ATOM 1459 N HIS A 94 13.358 -2.766 -14.675 1.00 0.00 N ATOM 1460 CA HIS A 94 13.646 -1.749 -15.699 1.00 0.00 C ATOM 1461 C HIS A 94 13.655 -2.367 -17.099 1.00 0.00 C ATOM 1462 O HIS A 94 14.191 -3.462 -17.293 1.00 0.00 O ATOM 1463 CB HIS A 94 14.988 -1.036 -15.399 1.00 0.00 C ATOM 1464 CG HIS A 94 15.134 0.282 -16.101 1.00 0.00 C ATOM 1465 ND1 HIS A 94 15.902 0.454 -17.221 1.00 0.00 N ATOM 1466 CD2 HIS A 94 14.579 1.486 -15.838 1.00 0.00 C ATOM 1467 CE1 HIS A 94 15.816 1.702 -17.622 1.00 0.00 C ATOM 1468 NE2 HIS A 94 15.021 2.351 -16.798 1.00 0.00 N ATOM 0 H HIS A 94 14.169 -3.019 -14.111 1.00 0.00 H new ATOM 0 HA HIS A 94 12.851 -1.004 -15.669 1.00 0.00 H new ATOM 0 HB2 HIS A 94 15.074 -0.878 -14.324 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.811 -1.688 -15.692 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.911 1.720 -15.022 1.00 0.00 H new ATOM 0 HE1 HIS A 94 16.314 2.124 -18.483 1.00 0.00 H new ATOM 0 HE2 HIS A 94 14.775 3.339 -16.865 1.00 0.00 H new ATOM 1477 N HIS A 95 13.054 -1.642 -18.051 1.00 0.00 N ATOM 1478 CA HIS A 95 12.926 -2.069 -19.448 1.00 0.00 C ATOM 1479 C HIS A 95 12.586 -0.846 -20.312 1.00 0.00 C ATOM 1480 O HIS A 95 11.813 0.013 -19.877 1.00 0.00 O ATOM 1481 CB HIS A 95 11.837 -3.169 -19.578 1.00 0.00 C ATOM 1482 CG HIS A 95 11.578 -3.657 -20.983 1.00 0.00 C ATOM 1483 ND1 HIS A 95 10.341 -3.605 -21.583 1.00 0.00 N ATOM 1484 CD2 HIS A 95 12.405 -4.224 -21.891 1.00 0.00 C ATOM 1485 CE1 HIS A 95 10.420 -4.124 -22.789 1.00 0.00 C ATOM 1486 NE2 HIS A 95 11.661 -4.502 -23.003 1.00 0.00 N ATOM 0 H HIS A 95 12.637 -0.729 -17.869 1.00 0.00 H new ATOM 0 HA HIS A 95 13.867 -2.497 -19.793 1.00 0.00 H new ATOM 0 HB2 HIS A 95 12.129 -4.020 -18.963 1.00 0.00 H new ATOM 0 HB3 HIS A 95 10.904 -2.784 -19.167 1.00 0.00 H new ATOM 0 HD2 HIS A 95 13.459 -4.421 -21.761 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.602 -4.223 -23.487 1.00 0.00 H new ATOM 0 HE2 HIS A 95 12.011 -4.932 -23.859 1.00 0.00 H new ATOM 1495 N HIS A 96 13.118 -0.801 -21.556 1.00 0.00 N ATOM 1496 CA HIS A 96 12.933 0.358 -22.478 1.00 0.00 C ATOM 1497 C HIS A 96 11.554 0.352 -23.205 1.00 0.00 C ATOM 1498 O HIS A 96 11.417 0.888 -24.313 1.00 0.00 O ATOM 1499 CB HIS A 96 14.120 0.450 -23.483 1.00 0.00 C ATOM 1500 CG HIS A 96 14.255 -0.694 -24.459 1.00 0.00 C ATOM 1501 ND1 HIS A 96 13.625 -0.714 -25.682 1.00 0.00 N ATOM 1502 CD2 HIS A 96 14.989 -1.830 -24.412 1.00 0.00 C ATOM 1503 CE1 HIS A 96 13.967 -1.801 -26.339 1.00 0.00 C ATOM 1504 NE2 HIS A 96 14.790 -2.493 -25.591 1.00 0.00 N ATOM 0 H HIS A 96 13.682 -1.554 -21.951 1.00 0.00 H new ATOM 0 HA HIS A 96 12.931 1.258 -21.862 1.00 0.00 H new ATOM 0 HB2 HIS A 96 14.018 1.375 -24.051 1.00 0.00 H new ATOM 0 HB3 HIS A 96 15.046 0.526 -22.914 1.00 0.00 H new ATOM 0 HD2 HIS A 96 15.616 -2.153 -23.594 1.00 0.00 H new ATOM 0 HE1 HIS A 96 13.627 -2.076 -27.327 1.00 0.00 H new ATOM 0 HE2 HIS A 96 15.215 -3.384 -25.847 1.00 0.00 H new ATOM 1513 N HIS A 97 10.537 -0.232 -22.540 1.00 0.00 N ATOM 1514 CA HIS A 97 9.113 -0.152 -22.930 1.00 0.00 C ATOM 1515 C HIS A 97 8.251 -0.380 -21.652 1.00 0.00 C ATOM 1516 O HIS A 97 7.111 -0.847 -21.713 1.00 0.00 O ATOM 1517 CB HIS A 97 8.811 -1.194 -24.056 1.00 0.00 C ATOM 1518 CG HIS A 97 7.455 -1.055 -24.713 1.00 0.00 C ATOM 1519 ND1 HIS A 97 6.439 -1.960 -24.534 1.00 0.00 N ATOM 1520 CD2 HIS A 97 6.966 -0.116 -25.554 1.00 0.00 C ATOM 1521 CE1 HIS A 97 5.386 -1.589 -25.229 1.00 0.00 C ATOM 1522 NE2 HIS A 97 5.680 -0.472 -25.858 1.00 0.00 N ATOM 0 H HIS A 97 10.686 -0.786 -21.696 1.00 0.00 H new ATOM 0 HA HIS A 97 8.868 0.827 -23.341 1.00 0.00 H new ATOM 0 HB2 HIS A 97 9.580 -1.109 -24.824 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.892 -2.196 -23.634 1.00 0.00 H new ATOM 0 HD2 HIS A 97 7.493 0.754 -25.918 1.00 0.00 H new ATOM 0 HE1 HIS A 97 4.442 -2.112 -25.275 1.00 0.00 H new ATOM 0 HE2 HIS A 97 5.051 0.045 -26.473 1.00 0.00 H new ATOM 1531 N HIS A 98 8.826 0.002 -20.485 1.00 0.00 N ATOM 1532 CA HIS A 98 8.216 -0.195 -19.140 1.00 0.00 C ATOM 1533 C HIS A 98 8.701 0.922 -18.164 1.00 0.00 C ATOM 1534 O HIS A 98 8.544 0.812 -16.941 1.00 0.00 O ATOM 1535 CB HIS A 98 8.578 -1.626 -18.614 1.00 0.00 C ATOM 1536 CG HIS A 98 8.048 -1.976 -17.245 1.00 0.00 C ATOM 1537 ND1 HIS A 98 8.834 -1.956 -16.116 1.00 0.00 N ATOM 1538 CD2 HIS A 98 6.805 -2.286 -16.823 1.00 0.00 C ATOM 1539 CE1 HIS A 98 8.101 -2.237 -15.066 1.00 0.00 C ATOM 1540 NE2 HIS A 98 6.866 -2.442 -15.463 1.00 0.00 N ATOM 0 H HIS A 98 9.736 0.461 -20.447 1.00 0.00 H new ATOM 0 HA HIS A 98 7.131 -0.121 -19.207 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.203 -2.360 -19.327 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.664 -1.723 -18.598 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.926 -2.392 -17.441 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.453 -2.291 -14.047 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.080 -2.679 -14.857 1.00 0.00 H new ATOM 1549 N HIS A 99 9.211 2.034 -18.738 1.00 0.00 N ATOM 1550 CA HIS A 99 9.868 3.132 -17.989 1.00 0.00 C ATOM 1551 C HIS A 99 11.174 2.592 -17.328 1.00 0.00 C ATOM 1552 O HIS A 99 12.161 2.391 -18.064 1.00 0.00 O ATOM 1553 CB HIS A 99 8.918 3.817 -16.947 1.00 0.00 C ATOM 1554 CG HIS A 99 7.671 4.456 -17.515 1.00 0.00 C ATOM 1555 ND1 HIS A 99 7.450 5.818 -17.508 1.00 0.00 N ATOM 1556 CD2 HIS A 99 6.564 3.909 -18.076 1.00 0.00 C ATOM 1557 CE1 HIS A 99 6.267 6.076 -18.027 1.00 0.00 C ATOM 1558 NE2 HIS A 99 5.714 4.939 -18.384 1.00 0.00 N ATOM 1559 OXT HIS A 99 11.208 2.359 -16.095 1.00 0.00 O ATOM 0 H HIS A 99 9.179 2.198 -19.744 1.00 0.00 H new ATOM 0 HA HIS A 99 10.125 3.920 -18.697 1.00 0.00 H new ATOM 0 HB2 HIS A 99 8.618 3.071 -16.211 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.484 4.581 -16.414 1.00 0.00 H new ATOM 0 HD2 HIS A 99 6.386 2.858 -18.248 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.827 7.056 -18.140 1.00 0.00 H new ATOM 0 HE2 HIS A 99 4.798 4.839 -18.821 1.00 0.00 H new TER 1568 HIS A 99