USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 886 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 SER OG : rot 5:sc= 1.17 USER MOD Set 1.2: A 81 MET CE :methyl 170:sc= 0 (180deg=-0.13) USER MOD Set 2.1: A 16 TYR OH : rot -168:sc= 1.28 USER MOD Set 2.2: A 75 HIS : no HD1:sc= 1.08 K(o=2.4,f=-6.3!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 15 LYS NZ :NH3+ 170:sc=-0.00642 (180deg=-0.103) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 22 SER OG : rot 68:sc= 0.535 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -1.12 (180deg=-1.83!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.12) USER MOD Single : A 38 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.908 X(o=-0.91,f=-1.1) USER MOD Single : A 43 SER OG : rot 140:sc= -0.0589 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.86) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 57 SER OG : rot 50:sc= -1.11 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.2) USER MOD Single : A 66 THR OG1 : rot -91:sc= 1.26 USER MOD Single : A 74 MET CE :methyl -154:sc= -2.74! (180deg=-4.11!) USER MOD Single : A 82 SER OG : rot -36:sc= 0.0768 USER MOD Single : A 84 GLN : amide:sc= -0.0706 X(o=-0.071,f=-0.14) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=-0.0043) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.421 20.639 4.394 1.00 0.00 N ATOM 2 CA PRO A 1 -4.309 20.476 5.351 1.00 0.00 C ATOM 3 C PRO A 1 -4.379 19.120 6.042 1.00 0.00 C ATOM 4 O PRO A 1 -5.463 18.639 6.364 1.00 0.00 O ATOM 5 CB PRO A 1 -4.383 21.594 6.382 1.00 0.00 C ATOM 6 CG PRO A 1 -5.605 22.355 5.995 1.00 0.00 C ATOM 7 CD PRO A 1 -5.859 22.035 4.540 1.00 0.00 C ATOM 0 H2 PRO A 1 -6.182 19.991 4.600 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.116 20.447 3.440 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.363 20.527 4.813 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.462 21.199 7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.494 22.224 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -6.456 22.065 6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -5.458 23.426 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.913 22.150 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.298 22.699 3.883 1.00 0.00 H new ATOM 17 N PRO A 2 -3.221 18.483 6.261 1.00 0.00 N ATOM 18 CA PRO A 2 -3.139 17.201 6.966 1.00 0.00 C ATOM 19 C PRO A 2 -3.530 17.339 8.436 1.00 0.00 C ATOM 20 O PRO A 2 -3.015 18.204 9.151 1.00 0.00 O ATOM 21 CB PRO A 2 -1.662 16.804 6.839 1.00 0.00 C ATOM 22 CG PRO A 2 -1.113 17.672 5.759 1.00 0.00 C ATOM 23 CD PRO A 2 -1.897 18.948 5.827 1.00 0.00 C ATOM 0 HA PRO A 2 -3.821 16.460 6.548 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.131 16.960 7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.559 15.749 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.049 17.857 5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.220 17.198 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.463 19.654 6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.940 19.450 4.861 1.00 0.00 H new ATOM 31 N VAL A 3 -4.440 16.485 8.879 1.00 0.00 N ATOM 32 CA VAL A 3 -4.943 16.529 10.245 1.00 0.00 C ATOM 33 C VAL A 3 -4.499 15.273 10.998 1.00 0.00 C ATOM 34 O VAL A 3 -5.003 14.947 12.074 1.00 0.00 O ATOM 35 CB VAL A 3 -6.485 16.659 10.247 1.00 0.00 C ATOM 36 CG1 VAL A 3 -7.154 15.372 9.782 1.00 0.00 C ATOM 37 CG2 VAL A 3 -6.999 17.084 11.617 1.00 0.00 C ATOM 0 H VAL A 3 -4.849 15.746 8.307 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.532 17.402 10.751 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.749 17.440 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.236 15.499 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.829 15.139 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.876 14.556 10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.085 17.167 11.588 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.712 16.340 12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.568 18.049 11.884 1.00 0.00 H new ATOM 47 N ALA A 4 -3.529 14.587 10.406 1.00 0.00 N ATOM 48 CA ALA A 4 -2.962 13.360 10.964 1.00 0.00 C ATOM 49 C ALA A 4 -3.980 12.225 10.944 1.00 0.00 C ATOM 50 O ALA A 4 -4.632 11.932 11.950 1.00 0.00 O ATOM 51 CB ALA A 4 -2.419 13.583 12.373 1.00 0.00 C ATOM 0 H ALA A 4 -3.109 14.866 9.519 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.123 13.071 10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.006 12.650 12.756 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.637 14.342 12.346 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.226 13.917 13.025 1.00 0.00 H new ATOM 57 N GLU A 5 -4.130 11.621 9.773 1.00 0.00 N ATOM 58 CA GLU A 5 -5.004 10.475 9.576 1.00 0.00 C ATOM 59 C GLU A 5 -4.745 9.893 8.192 1.00 0.00 C ATOM 60 O GLU A 5 -4.221 10.588 7.317 1.00 0.00 O ATOM 61 CB GLU A 5 -6.477 10.886 9.722 1.00 0.00 C ATOM 62 CG GLU A 5 -7.464 9.734 9.581 1.00 0.00 C ATOM 63 CD GLU A 5 -7.207 8.609 10.566 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.683 8.699 11.715 1.00 0.00 O ATOM 65 OE2 GLU A 5 -6.525 7.628 10.190 1.00 0.00 O ATOM 0 H GLU A 5 -3.644 11.916 8.926 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.794 9.721 10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.617 11.353 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.708 11.641 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.477 10.111 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.411 9.340 8.566 1.00 0.00 H new ATOM 72 N TRP A 6 -5.088 8.629 8.003 1.00 0.00 N ATOM 73 CA TRP A 6 -4.922 7.979 6.718 1.00 0.00 C ATOM 74 C TRP A 6 -5.929 8.572 5.737 1.00 0.00 C ATOM 75 O TRP A 6 -7.128 8.601 6.017 1.00 0.00 O ATOM 76 CB TRP A 6 -5.131 6.472 6.870 1.00 0.00 C ATOM 77 CG TRP A 6 -4.338 5.642 5.902 1.00 0.00 C ATOM 78 CD1 TRP A 6 -3.367 6.071 5.040 1.00 0.00 C ATOM 79 CD2 TRP A 6 -4.439 4.225 5.712 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.870 5.012 4.322 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.510 3.869 4.715 1.00 0.00 C ATOM 82 CE3 TRP A 6 -5.226 3.223 6.285 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.348 2.557 4.283 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -5.064 1.921 5.855 1.00 0.00 C ATOM 85 CH2 TRP A 6 -4.130 1.598 4.862 1.00 0.00 C ATOM 0 H TRP A 6 -5.485 8.032 8.729 1.00 0.00 H new ATOM 0 HA TRP A 6 -3.914 8.143 6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.865 6.180 7.886 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.190 6.248 6.741 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.039 7.095 4.939 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.141 5.068 3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.949 3.463 7.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.630 2.305 3.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.667 1.139 6.291 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.026 0.570 4.548 1.00 0.00 H new ATOM 96 N ALA A 7 -5.437 9.039 4.593 1.00 0.00 N ATOM 97 CA ALA A 7 -6.251 9.785 3.627 1.00 0.00 C ATOM 98 C ALA A 7 -7.202 8.885 2.833 1.00 0.00 C ATOM 99 O ALA A 7 -7.555 9.187 1.692 1.00 0.00 O ATOM 100 CB ALA A 7 -5.344 10.560 2.680 1.00 0.00 C ATOM 0 H ALA A 7 -4.466 8.914 4.306 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.874 10.477 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.953 11.113 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.733 11.258 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.697 9.865 2.145 1.00 0.00 H new ATOM 106 N VAL A 8 -7.628 7.799 3.447 1.00 0.00 N ATOM 107 CA VAL A 8 -8.608 6.908 2.855 1.00 0.00 C ATOM 108 C VAL A 8 -9.814 6.782 3.792 1.00 0.00 C ATOM 109 O VAL A 8 -9.646 6.619 5.000 1.00 0.00 O ATOM 110 CB VAL A 8 -7.987 5.520 2.563 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.336 4.939 3.803 1.00 0.00 C ATOM 112 CG2 VAL A 8 -9.023 4.548 2.011 1.00 0.00 C ATOM 0 H VAL A 8 -7.305 7.509 4.370 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.939 7.325 1.904 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.219 5.667 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.909 3.964 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.547 5.608 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.084 4.827 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.551 3.584 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.825 4.420 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.434 4.943 1.082 1.00 0.00 H new ATOM 122 N PRO A 9 -11.042 6.913 3.254 1.00 0.00 N ATOM 123 CA PRO A 9 -12.280 6.832 4.050 1.00 0.00 C ATOM 124 C PRO A 9 -12.360 5.549 4.877 1.00 0.00 C ATOM 125 O PRO A 9 -11.889 4.493 4.451 1.00 0.00 O ATOM 126 CB PRO A 9 -13.387 6.858 2.997 1.00 0.00 C ATOM 127 CG PRO A 9 -12.780 7.543 1.823 1.00 0.00 C ATOM 128 CD PRO A 9 -11.328 7.156 1.827 1.00 0.00 C ATOM 0 HA PRO A 9 -12.347 7.642 4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.713 5.850 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.264 7.395 3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.264 7.234 0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.896 8.624 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.148 6.266 1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.700 7.949 1.421 1.00 0.00 H new ATOM 136 N GLN A 10 -12.980 5.647 6.048 1.00 0.00 N ATOM 137 CA GLN A 10 -13.027 4.537 6.995 1.00 0.00 C ATOM 138 C GLN A 10 -13.766 3.342 6.403 1.00 0.00 C ATOM 139 O GLN A 10 -13.327 2.200 6.547 1.00 0.00 O ATOM 140 CB GLN A 10 -13.701 4.973 8.296 1.00 0.00 C ATOM 141 CG GLN A 10 -13.600 3.935 9.402 1.00 0.00 C ATOM 142 CD GLN A 10 -14.359 4.331 10.651 1.00 0.00 C ATOM 143 OE1 GLN A 10 -14.519 5.513 10.952 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.822 3.337 11.391 1.00 0.00 N ATOM 0 H GLN A 10 -13.460 6.489 6.366 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.001 4.236 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.248 5.904 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.752 5.184 8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.984 2.983 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.551 3.780 9.654 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.666 2.371 11.103 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.335 3.537 12.250 1.00 0.00 H new ATOM 153 N SER A 11 -14.882 3.612 5.731 1.00 0.00 N ATOM 154 CA SER A 11 -15.653 2.565 5.075 1.00 0.00 C ATOM 155 C SER A 11 -14.795 1.853 4.034 1.00 0.00 C ATOM 156 O SER A 11 -14.866 0.634 3.881 1.00 0.00 O ATOM 157 CB SER A 11 -16.894 3.165 4.409 1.00 0.00 C ATOM 158 OG SER A 11 -17.637 3.953 5.325 1.00 0.00 O ATOM 0 H SER A 11 -15.271 4.549 5.628 1.00 0.00 H new ATOM 0 HA SER A 11 -15.969 1.840 5.825 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.594 3.777 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.524 2.365 4.019 1.00 0.00 H new ATOM 0 HG SER A 11 -18.423 4.326 4.874 1.00 0.00 H new ATOM 164 N SER A 12 -13.964 2.619 3.343 1.00 0.00 N ATOM 165 CA SER A 12 -13.087 2.072 2.327 1.00 0.00 C ATOM 166 C SER A 12 -11.959 1.263 2.969 1.00 0.00 C ATOM 167 O SER A 12 -11.574 0.212 2.457 1.00 0.00 O ATOM 168 CB SER A 12 -12.526 3.209 1.474 1.00 0.00 C ATOM 169 OG SER A 12 -13.574 4.032 0.986 1.00 0.00 O ATOM 0 H SER A 12 -13.881 3.628 3.471 1.00 0.00 H new ATOM 0 HA SER A 12 -13.656 1.398 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.833 3.807 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.960 2.798 0.638 1.00 0.00 H new ATOM 0 HG SER A 12 -13.196 4.755 0.444 1.00 0.00 H new ATOM 175 N ARG A 13 -11.443 1.752 4.098 1.00 0.00 N ATOM 176 CA ARG A 13 -10.416 1.035 4.856 1.00 0.00 C ATOM 177 C ARG A 13 -10.904 -0.366 5.195 1.00 0.00 C ATOM 178 O ARG A 13 -10.226 -1.353 4.920 1.00 0.00 O ATOM 179 CB ARG A 13 -10.056 1.794 6.142 1.00 0.00 C ATOM 180 CG ARG A 13 -9.439 3.159 5.892 1.00 0.00 C ATOM 181 CD ARG A 13 -9.346 3.992 7.163 1.00 0.00 C ATOM 182 NE ARG A 13 -8.342 3.497 8.109 1.00 0.00 N ATOM 183 CZ ARG A 13 -7.670 4.286 8.956 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.902 5.596 8.974 1.00 0.00 N ATOM 185 NH2 ARG A 13 -6.780 3.764 9.796 1.00 0.00 N ATOM 0 H ARG A 13 -11.720 2.644 4.508 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.520 0.963 4.239 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.956 1.917 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.360 1.192 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.442 3.033 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.034 3.694 5.152 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.108 5.022 6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.320 4.006 7.652 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.145 2.496 8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.593 6.000 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.389 6.196 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.607 2.759 9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.270 4.369 10.440 1.00 0.00 H new ATOM 199 N LEU A 14 -12.102 -0.440 5.760 1.00 0.00 N ATOM 200 CA LEU A 14 -12.726 -1.710 6.102 1.00 0.00 C ATOM 201 C LEU A 14 -12.955 -2.565 4.858 1.00 0.00 C ATOM 202 O LEU A 14 -12.764 -3.776 4.882 1.00 0.00 O ATOM 203 CB LEU A 14 -14.058 -1.447 6.801 1.00 0.00 C ATOM 204 CG LEU A 14 -13.959 -0.817 8.189 1.00 0.00 C ATOM 205 CD1 LEU A 14 -15.346 -0.587 8.767 1.00 0.00 C ATOM 206 CD2 LEU A 14 -13.132 -1.692 9.118 1.00 0.00 C ATOM 0 H LEU A 14 -12.667 0.377 5.993 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.058 -2.256 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.659 -0.795 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.596 -2.391 6.887 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.459 0.147 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.258 -0.138 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.906 0.081 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.870 -1.540 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.074 -1.225 10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.601 -2.672 9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.127 -1.807 8.711 1.00 0.00 H new ATOM 218 N LYS A 15 -13.359 -1.913 3.780 1.00 0.00 N ATOM 219 CA LYS A 15 -13.657 -2.581 2.516 1.00 0.00 C ATOM 220 C LYS A 15 -12.451 -3.346 1.971 1.00 0.00 C ATOM 221 O LYS A 15 -12.577 -4.509 1.585 1.00 0.00 O ATOM 222 CB LYS A 15 -14.130 -1.538 1.498 1.00 0.00 C ATOM 223 CG LYS A 15 -14.539 -2.108 0.150 1.00 0.00 C ATOM 224 CD LYS A 15 -14.943 -0.998 -0.805 1.00 0.00 C ATOM 225 CE LYS A 15 -15.383 -1.543 -2.155 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.633 -2.346 -2.058 1.00 0.00 N ATOM 0 H LYS A 15 -13.491 -0.902 3.753 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.444 -3.314 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.976 -0.996 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.331 -0.812 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.712 -2.677 -0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.369 -2.802 0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.755 -0.419 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.104 -0.316 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.538 -0.714 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.588 -2.161 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.987 -2.554 -3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.435 -3.238 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.351 -1.808 -1.532 1.00 0.00 H new ATOM 240 N TYR A 16 -11.287 -2.708 1.938 1.00 0.00 N ATOM 241 CA TYR A 16 -10.095 -3.364 1.403 1.00 0.00 C ATOM 242 C TYR A 16 -9.438 -4.218 2.477 1.00 0.00 C ATOM 243 O TYR A 16 -8.735 -5.171 2.174 1.00 0.00 O ATOM 244 CB TYR A 16 -9.060 -2.355 0.884 1.00 0.00 C ATOM 245 CG TYR A 16 -9.615 -1.134 0.182 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.479 -1.239 -0.901 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.236 0.134 0.596 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.953 -0.107 -1.544 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.707 1.264 -0.034 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.560 1.142 -1.103 1.00 0.00 C ATOM 251 OH TYR A 16 -11.024 2.278 -1.730 1.00 0.00 O ATOM 0 H TYR A 16 -11.141 -1.754 2.268 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.425 -3.983 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.454 -2.021 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.391 -2.872 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.785 -2.216 -1.246 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.557 0.237 1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.625 -0.200 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.407 2.242 0.311 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.505 3.053 -1.429 1.00 0.00 H new ATOM 261 N ARG A 17 -9.653 -3.868 3.737 1.00 0.00 N ATOM 262 CA ARG A 17 -9.129 -4.663 4.840 1.00 0.00 C ATOM 263 C ARG A 17 -9.878 -5.989 4.906 1.00 0.00 C ATOM 264 O ARG A 17 -9.365 -6.980 5.406 1.00 0.00 O ATOM 265 CB ARG A 17 -9.251 -3.900 6.156 1.00 0.00 C ATOM 266 CG ARG A 17 -8.393 -4.470 7.271 1.00 0.00 C ATOM 267 CD ARG A 17 -8.187 -3.450 8.375 1.00 0.00 C ATOM 268 NE ARG A 17 -7.357 -3.967 9.461 1.00 0.00 N ATOM 269 CZ ARG A 17 -6.042 -3.757 9.567 1.00 0.00 C ATOM 270 NH1 ARG A 17 -5.386 -3.100 8.614 1.00 0.00 N ATOM 271 NH2 ARG A 17 -5.382 -4.218 10.622 1.00 0.00 N ATOM 0 H ARG A 17 -10.183 -3.044 4.021 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.071 -4.863 4.671 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.972 -2.859 5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.294 -3.904 6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.867 -5.362 7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.427 -4.777 6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.721 -2.557 7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.156 -3.148 8.773 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.811 -4.524 10.185 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.887 -2.753 7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.382 -2.943 8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.879 -4.732 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.378 -4.059 10.705 1.00 0.00 H new ATOM 285 N GLN A 18 -11.095 -5.972 4.382 1.00 0.00 N ATOM 286 CA GLN A 18 -11.951 -7.151 4.267 1.00 0.00 C ATOM 287 C GLN A 18 -11.456 -8.108 3.186 1.00 0.00 C ATOM 288 O GLN A 18 -11.875 -9.256 3.110 1.00 0.00 O ATOM 289 CB GLN A 18 -13.353 -6.694 3.903 1.00 0.00 C ATOM 290 CG GLN A 18 -14.347 -6.759 5.041 1.00 0.00 C ATOM 291 CD GLN A 18 -15.733 -6.322 4.613 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.555 -7.138 4.201 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.995 -5.029 4.690 1.00 0.00 N ATOM 0 H GLN A 18 -11.527 -5.123 4.017 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.937 -7.678 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.304 -5.668 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.720 -7.308 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.391 -7.778 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.004 -6.125 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.285 -4.385 5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.907 -4.675 4.402 1.00 0.00 H new ATOM 302 N LEU A 19 -10.560 -7.611 2.366 1.00 0.00 N ATOM 303 CA LEU A 19 -10.110 -8.297 1.158 1.00 0.00 C ATOM 304 C LEU A 19 -8.741 -7.811 0.794 1.00 0.00 C ATOM 305 O LEU A 19 -8.491 -7.597 -0.384 1.00 0.00 O ATOM 306 CB LEU A 19 -10.991 -7.885 0.001 1.00 0.00 C ATOM 307 CG LEU A 19 -11.148 -8.926 -1.110 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.979 -10.107 -0.636 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.754 -8.297 -2.353 1.00 0.00 C ATOM 0 H LEU A 19 -10.112 -6.707 2.513 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.133 -9.371 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.980 -7.641 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.585 -6.972 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.157 -9.299 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.075 -10.832 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.490 -10.577 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.969 -9.760 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.857 -9.054 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.735 -7.888 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.105 -7.497 -2.709 1.00 0.00 H new ATOM 321 N PHE A 20 -7.819 -7.662 1.728 1.00 0.00 N ATOM 322 CA PHE A 20 -7.298 -8.706 2.645 1.00 0.00 C ATOM 323 C PHE A 20 -8.245 -9.736 3.269 1.00 0.00 C ATOM 324 O PHE A 20 -8.276 -10.861 2.792 1.00 0.00 O ATOM 325 CB PHE A 20 -6.484 -8.048 3.754 1.00 0.00 C ATOM 326 CG PHE A 20 -5.043 -8.463 3.728 1.00 0.00 C ATOM 327 CD1 PHE A 20 -4.123 -7.764 2.966 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.612 -9.567 4.447 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.801 -8.152 2.923 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.290 -9.962 4.405 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.384 -9.253 3.640 1.00 0.00 C ATOM 0 H PHE A 20 -7.375 -6.758 1.891 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.718 -9.322 1.957 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.549 -6.964 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.916 -8.306 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.445 -6.904 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.318 -10.124 5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.093 -7.594 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.965 -10.824 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.350 -9.561 3.604 1.00 0.00 H new ATOM 341 N ASN A 21 -9.010 -9.364 4.293 1.00 0.00 N ATOM 342 CA ASN A 21 -9.462 -10.309 5.346 1.00 0.00 C ATOM 343 C ASN A 21 -10.022 -11.651 4.837 1.00 0.00 C ATOM 344 O ASN A 21 -9.787 -12.679 5.468 1.00 0.00 O ATOM 345 CB ASN A 21 -10.507 -9.637 6.246 1.00 0.00 C ATOM 346 CG ASN A 21 -10.919 -10.505 7.424 1.00 0.00 C ATOM 347 OD1 ASN A 21 -11.881 -11.267 7.339 1.00 0.00 O ATOM 348 ND2 ASN A 21 -10.200 -10.390 8.532 1.00 0.00 N ATOM 0 H ASN A 21 -9.339 -8.408 4.428 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.557 -10.558 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.106 -8.694 6.618 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.389 -9.396 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.438 -10.945 9.354 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.409 -9.746 8.562 1.00 0.00 H new ATOM 355 N SER A 22 -10.739 -11.667 3.721 1.00 0.00 N ATOM 356 CA SER A 22 -11.228 -12.925 3.154 1.00 0.00 C ATOM 357 C SER A 22 -10.075 -13.901 2.848 1.00 0.00 C ATOM 358 O SER A 22 -10.269 -15.116 2.800 1.00 0.00 O ATOM 359 CB SER A 22 -12.026 -12.643 1.886 1.00 0.00 C ATOM 360 OG SER A 22 -13.109 -11.768 2.152 1.00 0.00 O ATOM 0 H SER A 22 -10.995 -10.834 3.192 1.00 0.00 H new ATOM 0 HA SER A 22 -11.872 -13.399 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.374 -12.202 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.403 -13.579 1.473 1.00 0.00 H new ATOM 0 HG SER A 22 -12.763 -10.881 2.385 1.00 0.00 H new ATOM 366 N HIS A 23 -8.879 -13.357 2.647 1.00 0.00 N ATOM 367 CA HIS A 23 -7.696 -14.153 2.325 1.00 0.00 C ATOM 368 C HIS A 23 -6.799 -14.320 3.551 1.00 0.00 C ATOM 369 O HIS A 23 -5.877 -15.135 3.551 1.00 0.00 O ATOM 370 CB HIS A 23 -6.888 -13.488 1.204 1.00 0.00 C ATOM 371 CG HIS A 23 -7.637 -13.328 -0.084 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.475 -14.166 -1.165 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.550 -12.404 -0.465 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.256 -13.763 -2.150 1.00 0.00 C ATOM 375 NE2 HIS A 23 -8.922 -12.696 -1.753 1.00 0.00 N ATOM 0 H HIS A 23 -8.701 -12.354 2.702 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.040 -15.134 1.996 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.558 -12.506 1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.991 -14.079 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.919 -11.586 0.136 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.336 -14.230 -3.121 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.600 -12.175 -2.310 1.00 0.00 H new ATOM 384 N ASP A 24 -7.069 -13.540 4.589 1.00 0.00 N ATOM 385 CA ASP A 24 -6.247 -13.567 5.795 1.00 0.00 C ATOM 386 C ASP A 24 -6.665 -14.712 6.705 1.00 0.00 C ATOM 387 O ASP A 24 -7.849 -14.889 6.989 1.00 0.00 O ATOM 388 CB ASP A 24 -6.341 -12.240 6.553 1.00 0.00 C ATOM 389 CG ASP A 24 -5.624 -12.284 7.894 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.375 -12.278 7.910 1.00 0.00 O ATOM 391 OD2 ASP A 24 -6.310 -12.318 8.938 1.00 0.00 O ATOM 0 H ASP A 24 -7.848 -12.882 4.622 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.212 -13.719 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.914 -11.445 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.390 -11.990 6.713 1.00 0.00 H new ATOM 396 N LYS A 25 -5.688 -15.493 7.138 1.00 0.00 N ATOM 397 CA LYS A 25 -5.932 -16.621 8.030 1.00 0.00 C ATOM 398 C LYS A 25 -4.640 -17.043 8.717 1.00 0.00 C ATOM 399 O LYS A 25 -4.535 -18.158 9.227 1.00 0.00 O ATOM 400 CB LYS A 25 -6.515 -17.812 7.255 1.00 0.00 C ATOM 401 CG LYS A 25 -5.680 -18.227 6.052 1.00 0.00 C ATOM 402 CD LYS A 25 -6.211 -19.496 5.397 1.00 0.00 C ATOM 403 CE LYS A 25 -5.632 -20.760 6.025 1.00 0.00 C ATOM 404 NZ LYS A 25 -5.982 -20.904 7.462 1.00 0.00 N ATOM 0 H LYS A 25 -4.708 -15.366 6.884 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.653 -16.305 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.610 -18.662 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.520 -17.558 6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.671 -17.419 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.648 -18.385 6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.298 -19.517 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.973 -19.480 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.995 -21.630 5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.547 -20.748 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.837 -21.891 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.376 -20.280 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.978 -20.643 7.604 1.00 0.00 H new ATOM 418 N THR A 26 -3.672 -16.139 8.748 1.00 0.00 N ATOM 419 CA THR A 26 -2.366 -16.445 9.283 1.00 0.00 C ATOM 420 C THR A 26 -1.920 -15.325 10.222 1.00 0.00 C ATOM 421 O THR A 26 -2.689 -14.408 10.514 1.00 0.00 O ATOM 422 CB THR A 26 -1.342 -16.637 8.135 1.00 0.00 C ATOM 423 OG1 THR A 26 -0.082 -17.095 8.649 1.00 0.00 O ATOM 424 CG2 THR A 26 -1.136 -15.340 7.361 1.00 0.00 C ATOM 0 H THR A 26 -3.774 -15.184 8.405 1.00 0.00 H new ATOM 0 HA THR A 26 -2.421 -17.377 9.846 1.00 0.00 H new ATOM 0 HB THR A 26 -1.746 -17.389 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.550 -17.212 7.909 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.413 -15.504 6.562 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.085 -15.018 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.763 -14.569 8.035 1.00 0.00 H new ATOM 432 N MET A 27 -0.695 -15.408 10.697 1.00 0.00 N ATOM 433 CA MET A 27 -0.160 -14.402 11.596 1.00 0.00 C ATOM 434 C MET A 27 0.689 -13.409 10.817 1.00 0.00 C ATOM 435 O MET A 27 1.612 -13.802 10.098 1.00 0.00 O ATOM 436 CB MET A 27 0.668 -15.040 12.714 1.00 0.00 C ATOM 437 CG MET A 27 1.242 -14.022 13.685 1.00 0.00 C ATOM 438 SD MET A 27 2.162 -14.780 15.031 1.00 0.00 S ATOM 439 CE MET A 27 2.684 -13.320 15.928 1.00 0.00 C ATOM 0 H MET A 27 -0.047 -16.164 10.476 1.00 0.00 H new ATOM 0 HA MET A 27 -0.998 -13.878 12.056 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.044 -15.745 13.263 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.484 -15.613 12.273 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.897 -13.340 13.143 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.430 -13.424 14.098 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.270 -13.617 16.798 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.293 -12.692 15.278 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.807 -12.761 16.255 1.00 0.00 H new ATOM 449 N SER A 28 0.348 -12.131 10.960 1.00 0.00 N ATOM 450 CA SER A 28 1.022 -11.039 10.280 1.00 0.00 C ATOM 451 C SER A 28 0.576 -11.020 8.831 1.00 0.00 C ATOM 452 O SER A 28 1.203 -11.627 7.959 1.00 0.00 O ATOM 453 CB SER A 28 2.550 -11.142 10.400 1.00 0.00 C ATOM 454 OG SER A 28 2.945 -11.298 11.757 1.00 0.00 O ATOM 0 H SER A 28 -0.417 -11.825 11.562 1.00 0.00 H new ATOM 0 HA SER A 28 0.746 -10.099 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.908 -11.988 9.814 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.012 -10.247 9.983 1.00 0.00 H new ATOM 0 HG SER A 28 3.922 -11.363 11.808 1.00 0.00 H new ATOM 460 N GLY A 29 -0.555 -10.361 8.612 1.00 0.00 N ATOM 461 CA GLY A 29 -1.176 -10.322 7.312 1.00 0.00 C ATOM 462 C GLY A 29 -0.329 -9.627 6.272 1.00 0.00 C ATOM 463 O GLY A 29 -0.476 -8.429 6.035 1.00 0.00 O ATOM 0 H GLY A 29 -1.059 -9.844 9.333 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.381 -11.341 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.136 -9.812 7.390 1.00 0.00 H new ATOM 467 N HIS A 30 0.590 -10.372 5.696 1.00 0.00 N ATOM 468 CA HIS A 30 1.309 -9.919 4.508 1.00 0.00 C ATOM 469 C HIS A 30 1.208 -10.947 3.392 1.00 0.00 C ATOM 470 O HIS A 30 1.305 -12.148 3.632 1.00 0.00 O ATOM 471 CB HIS A 30 2.784 -9.598 4.799 1.00 0.00 C ATOM 472 CG HIS A 30 3.516 -10.626 5.610 1.00 0.00 C ATOM 473 ND1 HIS A 30 3.907 -10.406 6.910 1.00 0.00 N ATOM 474 CD2 HIS A 30 3.965 -11.863 5.290 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.564 -11.458 7.354 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.615 -12.360 6.392 1.00 0.00 N ATOM 0 H HIS A 30 0.863 -11.298 6.027 1.00 0.00 H new ATOM 0 HA HIS A 30 0.832 -8.993 4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.305 -9.470 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.835 -8.643 5.322 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.836 -12.365 4.343 1.00 0.00 H new ATOM 0 HE1 HIS A 30 4.990 -11.565 8.341 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.063 -13.274 6.457 1.00 0.00 H new ATOM 485 N LEU A 31 1.014 -10.463 2.177 1.00 0.00 N ATOM 486 CA LEU A 31 0.905 -11.329 1.010 1.00 0.00 C ATOM 487 C LEU A 31 2.201 -11.288 0.212 1.00 0.00 C ATOM 488 O LEU A 31 2.998 -10.358 0.358 1.00 0.00 O ATOM 489 CB LEU A 31 -0.273 -10.904 0.125 1.00 0.00 C ATOM 490 CG LEU A 31 -1.656 -11.026 0.768 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.731 -10.554 -0.195 1.00 0.00 C ATOM 492 CD2 LEU A 31 -1.927 -12.460 1.202 1.00 0.00 C ATOM 0 H LEU A 31 0.928 -9.468 1.970 1.00 0.00 H new ATOM 0 HA LEU A 31 0.726 -12.349 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.122 -9.868 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.259 -11.507 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.677 -10.391 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.709 -10.647 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.552 -9.511 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.704 -11.164 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.916 -12.522 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.885 -13.117 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.174 -12.769 1.928 1.00 0.00 H new ATOM 504 N THR A 32 2.407 -12.288 -0.626 1.00 0.00 N ATOM 505 CA THR A 32 3.619 -12.382 -1.420 1.00 0.00 C ATOM 506 C THR A 32 3.477 -11.597 -2.717 1.00 0.00 C ATOM 507 O THR A 32 2.401 -11.070 -3.022 1.00 0.00 O ATOM 508 CB THR A 32 3.954 -13.854 -1.732 1.00 0.00 C ATOM 509 OG1 THR A 32 2.847 -14.486 -2.385 1.00 0.00 O ATOM 510 CG2 THR A 32 4.281 -14.616 -0.457 1.00 0.00 C ATOM 0 H THR A 32 1.746 -13.051 -0.775 1.00 0.00 H new ATOM 0 HA THR A 32 4.434 -11.952 -0.838 1.00 0.00 H new ATOM 0 HB THR A 32 4.824 -13.868 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.072 -15.420 -2.580 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.514 -15.652 -0.702 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.140 -14.156 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.423 -14.586 0.215 1.00 0.00 H new ATOM 518 N GLY A 33 4.570 -11.522 -3.468 1.00 0.00 N ATOM 519 CA GLY A 33 4.576 -10.814 -4.734 1.00 0.00 C ATOM 520 C GLY A 33 3.482 -11.282 -5.676 1.00 0.00 C ATOM 521 O GLY A 33 2.589 -10.505 -6.019 1.00 0.00 O ATOM 0 H GLY A 33 5.464 -11.945 -3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.457 -9.747 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.545 -10.948 -5.215 1.00 0.00 H new ATOM 525 N PRO A 34 3.526 -12.553 -6.123 1.00 0.00 N ATOM 526 CA PRO A 34 2.506 -13.117 -7.014 1.00 0.00 C ATOM 527 C PRO A 34 1.087 -12.947 -6.472 1.00 0.00 C ATOM 528 O PRO A 34 0.177 -12.610 -7.225 1.00 0.00 O ATOM 529 CB PRO A 34 2.877 -14.600 -7.095 1.00 0.00 C ATOM 530 CG PRO A 34 4.334 -14.638 -6.807 1.00 0.00 C ATOM 531 CD PRO A 34 4.583 -13.538 -5.813 1.00 0.00 C ATOM 0 HA PRO A 34 2.496 -12.614 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.314 -15.190 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.657 -15.010 -8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.627 -15.606 -6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.916 -14.484 -7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.508 -13.899 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.579 -13.109 -5.929 1.00 0.00 H new ATOM 539 N GLN A 35 0.908 -13.161 -5.168 1.00 0.00 N ATOM 540 CA GLN A 35 -0.402 -12.994 -4.535 1.00 0.00 C ATOM 541 C GLN A 35 -0.953 -11.597 -4.791 1.00 0.00 C ATOM 542 O GLN A 35 -2.064 -11.439 -5.299 1.00 0.00 O ATOM 543 CB GLN A 35 -0.307 -13.243 -3.027 1.00 0.00 C ATOM 544 CG GLN A 35 -0.391 -14.707 -2.634 1.00 0.00 C ATOM 545 CD GLN A 35 -1.769 -15.294 -2.869 1.00 0.00 C ATOM 546 OE1 GLN A 35 -2.635 -15.243 -1.998 1.00 0.00 O ATOM 547 NE2 GLN A 35 -1.980 -15.865 -4.044 1.00 0.00 N ATOM 0 H GLN A 35 1.650 -13.449 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.081 -13.725 -4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.634 -12.833 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.108 -12.697 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.344 -15.275 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.130 -14.813 -1.581 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.236 -15.887 -4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.887 -16.283 -4.252 1.00 0.00 H new ATOM 556 N ALA A 36 -0.151 -10.595 -4.460 1.00 0.00 N ATOM 557 CA ALA A 36 -0.523 -9.203 -4.664 1.00 0.00 C ATOM 558 C ALA A 36 -0.787 -8.924 -6.141 1.00 0.00 C ATOM 559 O ALA A 36 -1.834 -8.394 -6.503 1.00 0.00 O ATOM 560 CB ALA A 36 0.575 -8.289 -4.146 1.00 0.00 C ATOM 0 H ALA A 36 0.772 -10.723 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.441 -9.007 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.287 -7.249 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.724 -8.467 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.502 -8.494 -4.682 1.00 0.00 H new ATOM 566 N ARG A 37 0.159 -9.323 -6.988 1.00 0.00 N ATOM 567 CA ARG A 37 0.105 -9.038 -8.421 1.00 0.00 C ATOM 568 C ARG A 37 -1.102 -9.696 -9.085 1.00 0.00 C ATOM 569 O ARG A 37 -1.686 -9.138 -10.018 1.00 0.00 O ATOM 570 CB ARG A 37 1.392 -9.520 -9.095 1.00 0.00 C ATOM 571 CG ARG A 37 2.635 -8.766 -8.653 1.00 0.00 C ATOM 572 CD ARG A 37 3.869 -9.248 -9.397 1.00 0.00 C ATOM 573 NE ARG A 37 5.085 -8.569 -8.950 1.00 0.00 N ATOM 574 CZ ARG A 37 5.901 -7.889 -9.755 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.638 -7.799 -11.050 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.984 -7.306 -9.261 1.00 0.00 N ATOM 0 H ARG A 37 0.983 -9.852 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 37 0.005 -7.959 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.527 -10.581 -8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.284 -9.422 -10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.497 -7.699 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.780 -8.897 -7.581 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.981 -10.323 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.734 -9.082 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 37 5.324 -8.619 -7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.808 -8.251 -11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.265 -7.278 -11.663 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.193 -7.378 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.609 -6.785 -9.877 1.00 0.00 H new ATOM 590 N THR A 38 -1.468 -10.877 -8.604 1.00 0.00 N ATOM 591 CA THR A 38 -2.601 -11.611 -9.150 1.00 0.00 C ATOM 592 C THR A 38 -3.905 -10.863 -8.884 1.00 0.00 C ATOM 593 O THR A 38 -4.715 -10.668 -9.793 1.00 0.00 O ATOM 594 CB THR A 38 -2.674 -13.036 -8.559 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.476 -13.757 -8.876 1.00 0.00 O ATOM 596 CG2 THR A 38 -3.873 -13.800 -9.094 1.00 0.00 C ATOM 0 H THR A 38 -0.994 -11.348 -7.834 1.00 0.00 H new ATOM 0 HA THR A 38 -2.458 -11.693 -10.227 1.00 0.00 H new ATOM 0 HB THR A 38 -2.780 -12.942 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.773 -13.520 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.893 -14.798 -8.657 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.789 -13.270 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.799 -13.880 -10.179 1.00 0.00 H new ATOM 604 N ILE A 39 -4.090 -10.414 -7.647 1.00 0.00 N ATOM 605 CA ILE A 39 -5.291 -9.674 -7.281 1.00 0.00 C ATOM 606 C ILE A 39 -5.315 -8.325 -7.993 1.00 0.00 C ATOM 607 O ILE A 39 -6.366 -7.864 -8.448 1.00 0.00 O ATOM 608 CB ILE A 39 -5.381 -9.469 -5.752 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.353 -10.828 -5.041 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.647 -8.701 -5.389 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.326 -10.732 -3.529 1.00 0.00 C ATOM 0 H ILE A 39 -3.426 -10.549 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.155 -10.260 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.523 -8.883 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.229 -11.402 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.477 -11.383 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.693 -8.566 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.633 -7.726 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.521 -9.261 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.307 -11.734 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.436 -10.187 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.215 -10.206 -3.182 1.00 0.00 H new ATOM 623 N LEU A 40 -4.139 -7.712 -8.105 1.00 0.00 N ATOM 624 CA LEU A 40 -3.979 -6.442 -8.811 1.00 0.00 C ATOM 625 C LEU A 40 -4.501 -6.534 -10.245 1.00 0.00 C ATOM 626 O LEU A 40 -5.234 -5.661 -10.714 1.00 0.00 O ATOM 627 CB LEU A 40 -2.499 -6.023 -8.818 1.00 0.00 C ATOM 628 CG LEU A 40 -1.946 -5.546 -7.473 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.479 -5.174 -7.605 1.00 0.00 C ATOM 630 CD2 LEU A 40 -2.748 -4.366 -6.946 1.00 0.00 C ATOM 0 H LEU A 40 -3.273 -8.079 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.565 -5.689 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.901 -6.868 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.368 -5.225 -9.549 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.035 -6.364 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.101 -4.837 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.089 -6.044 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.371 -4.373 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.336 -4.045 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.695 -3.543 -7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.788 -4.664 -6.812 1.00 0.00 H new ATOM 642 N MET A 41 -4.137 -7.608 -10.930 1.00 0.00 N ATOM 643 CA MET A 41 -4.515 -7.784 -12.330 1.00 0.00 C ATOM 644 C MET A 41 -5.997 -8.120 -12.470 1.00 0.00 C ATOM 645 O MET A 41 -6.624 -7.794 -13.479 1.00 0.00 O ATOM 646 CB MET A 41 -3.670 -8.881 -12.989 1.00 0.00 C ATOM 647 CG MET A 41 -3.977 -9.077 -14.467 1.00 0.00 C ATOM 648 SD MET A 41 -3.010 -10.404 -15.216 1.00 0.00 S ATOM 649 CE MET A 41 -3.664 -10.366 -16.883 1.00 0.00 C ATOM 0 H MET A 41 -3.582 -8.371 -10.543 1.00 0.00 H new ATOM 0 HA MET A 41 -4.328 -6.838 -12.837 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.615 -8.634 -12.875 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.836 -9.821 -12.464 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.038 -9.296 -14.586 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.781 -8.147 -15.000 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.171 -11.130 -17.485 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.736 -10.560 -16.858 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.483 -9.385 -17.322 1.00 0.00 H new ATOM 659 N GLN A 42 -6.567 -8.752 -11.451 1.00 0.00 N ATOM 660 CA GLN A 42 -7.952 -9.203 -11.529 1.00 0.00 C ATOM 661 C GLN A 42 -8.941 -8.077 -11.269 1.00 0.00 C ATOM 662 O GLN A 42 -10.145 -8.320 -11.168 1.00 0.00 O ATOM 663 CB GLN A 42 -8.220 -10.345 -10.554 1.00 0.00 C ATOM 664 CG GLN A 42 -7.502 -11.639 -10.904 1.00 0.00 C ATOM 665 CD GLN A 42 -7.957 -12.803 -10.042 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.110 -12.858 -9.612 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.064 -13.741 -9.784 1.00 0.00 N ATOM 0 H GLN A 42 -6.098 -8.962 -10.570 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.098 -9.558 -12.549 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.919 -10.033 -9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.293 -10.535 -10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.677 -11.877 -11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.428 -11.499 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.118 -13.661 -10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.320 -14.545 -9.211 1.00 0.00 H new ATOM 676 N SER A 43 -8.453 -6.855 -11.168 1.00 0.00 N ATOM 677 CA SER A 43 -9.341 -5.721 -11.026 1.00 0.00 C ATOM 678 C SER A 43 -9.901 -5.323 -12.395 1.00 0.00 C ATOM 679 O SER A 43 -10.954 -5.813 -12.799 1.00 0.00 O ATOM 680 CB SER A 43 -8.605 -4.555 -10.372 1.00 0.00 C ATOM 681 OG SER A 43 -8.042 -4.947 -9.131 1.00 0.00 O ATOM 0 H SER A 43 -7.459 -6.625 -11.181 1.00 0.00 H new ATOM 0 HA SER A 43 -10.176 -5.996 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.818 -4.197 -11.036 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.294 -3.725 -10.218 1.00 0.00 H new ATOM 0 HG SER A 43 -7.153 -4.546 -9.034 1.00 0.00 H new ATOM 687 N SER A 44 -9.156 -4.486 -13.120 1.00 0.00 N ATOM 688 CA SER A 44 -9.554 -4.004 -14.457 1.00 0.00 C ATOM 689 C SER A 44 -8.450 -3.147 -15.090 1.00 0.00 C ATOM 690 O SER A 44 -8.673 -2.502 -16.115 1.00 0.00 O ATOM 691 CB SER A 44 -10.837 -3.151 -14.395 1.00 0.00 C ATOM 692 OG SER A 44 -11.992 -3.925 -14.116 1.00 0.00 O ATOM 0 H SER A 44 -8.259 -4.120 -12.802 1.00 0.00 H new ATOM 0 HA SER A 44 -9.732 -4.893 -15.061 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.723 -2.385 -13.628 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.971 -2.633 -15.345 1.00 0.00 H new ATOM 0 HG SER A 44 -11.729 -4.852 -13.938 1.00 0.00 H new ATOM 698 N LEU A 45 -7.262 -3.141 -14.496 1.00 0.00 N ATOM 699 CA LEU A 45 -6.228 -2.198 -14.893 1.00 0.00 C ATOM 700 C LEU A 45 -5.127 -2.874 -15.694 1.00 0.00 C ATOM 701 O LEU A 45 -4.792 -4.033 -15.451 1.00 0.00 O ATOM 702 CB LEU A 45 -5.642 -1.518 -13.656 1.00 0.00 C ATOM 703 CG LEU A 45 -6.632 -0.661 -12.868 1.00 0.00 C ATOM 704 CD1 LEU A 45 -5.963 -0.067 -11.645 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.199 0.439 -13.749 1.00 0.00 C ATOM 0 H LEU A 45 -6.994 -3.775 -13.743 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.688 -1.448 -15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.239 -2.284 -12.994 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.806 -0.891 -13.965 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.453 -1.298 -12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.682 0.540 -11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.600 -0.870 -11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.124 0.556 -11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.902 1.040 -13.173 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.388 1.073 -14.107 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.714 -0.006 -14.600 1.00 0.00 H new ATOM 717 N PRO A 46 -4.557 -2.147 -16.664 1.00 0.00 N ATOM 718 CA PRO A 46 -3.464 -2.648 -17.494 1.00 0.00 C ATOM 719 C PRO A 46 -2.115 -2.584 -16.779 1.00 0.00 C ATOM 720 O PRO A 46 -1.992 -1.977 -15.710 1.00 0.00 O ATOM 721 CB PRO A 46 -3.479 -1.698 -18.689 1.00 0.00 C ATOM 722 CG PRO A 46 -3.985 -0.411 -18.137 1.00 0.00 C ATOM 723 CD PRO A 46 -4.948 -0.773 -17.037 1.00 0.00 C ATOM 0 HA PRO A 46 -3.594 -3.698 -17.758 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.483 -1.582 -19.116 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.125 -2.070 -19.484 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.166 0.196 -17.752 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.481 0.176 -18.910 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.865 -0.090 -16.192 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.982 -0.731 -17.380 1.00 0.00 H new ATOM 731 N GLN A 47 -1.106 -3.190 -17.394 1.00 0.00 N ATOM 732 CA GLN A 47 0.236 -3.268 -16.821 1.00 0.00 C ATOM 733 C GLN A 47 0.809 -1.881 -16.526 1.00 0.00 C ATOM 734 O GLN A 47 1.564 -1.707 -15.569 1.00 0.00 O ATOM 735 CB GLN A 47 1.153 -4.033 -17.779 1.00 0.00 C ATOM 736 CG GLN A 47 2.607 -4.090 -17.343 1.00 0.00 C ATOM 737 CD GLN A 47 3.457 -4.909 -18.290 1.00 0.00 C ATOM 738 OE1 GLN A 47 3.643 -6.110 -18.099 1.00 0.00 O ATOM 739 NE2 GLN A 47 3.973 -4.265 -19.323 1.00 0.00 N ATOM 0 H GLN A 47 -1.193 -3.642 -18.304 1.00 0.00 H new ATOM 0 HA GLN A 47 0.172 -3.798 -15.871 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.778 -5.051 -17.886 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.099 -3.568 -18.763 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.006 -3.078 -17.283 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.668 -4.517 -16.342 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.794 -3.268 -19.444 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.550 -4.765 -19.999 1.00 0.00 H new ATOM 748 N ALA A 48 0.426 -0.897 -17.332 1.00 0.00 N ATOM 749 CA ALA A 48 0.897 0.472 -17.148 1.00 0.00 C ATOM 750 C ALA A 48 0.535 0.998 -15.760 1.00 0.00 C ATOM 751 O ALA A 48 1.382 1.543 -15.051 1.00 0.00 O ATOM 752 CB ALA A 48 0.319 1.371 -18.227 1.00 0.00 C ATOM 0 H ALA A 48 -0.210 -1.021 -18.120 1.00 0.00 H new ATOM 0 HA ALA A 48 1.984 0.474 -17.231 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.676 2.390 -18.081 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.635 1.013 -19.207 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.769 1.356 -18.169 1.00 0.00 H new ATOM 758 N GLN A 49 -0.723 0.820 -15.370 1.00 0.00 N ATOM 759 CA GLN A 49 -1.172 1.231 -14.049 1.00 0.00 C ATOM 760 C GLN A 49 -0.623 0.295 -12.986 1.00 0.00 C ATOM 761 O GLN A 49 -0.209 0.737 -11.916 1.00 0.00 O ATOM 762 CB GLN A 49 -2.699 1.266 -13.975 1.00 0.00 C ATOM 763 CG GLN A 49 -3.326 2.385 -14.791 1.00 0.00 C ATOM 764 CD GLN A 49 -2.847 3.763 -14.368 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.510 3.994 -13.207 1.00 0.00 O ATOM 766 NE2 GLN A 49 -2.815 4.693 -15.310 1.00 0.00 N ATOM 0 H GLN A 49 -1.446 0.395 -15.950 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.795 2.237 -13.865 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.093 0.311 -14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.001 1.375 -12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.095 2.233 -15.845 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.410 2.336 -14.692 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.102 4.465 -16.262 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.503 5.638 -15.084 1.00 0.00 H new ATOM 775 N LEU A 50 -0.591 -0.996 -13.299 1.00 0.00 N ATOM 776 CA LEU A 50 -0.122 -2.005 -12.364 1.00 0.00 C ATOM 777 C LEU A 50 1.316 -1.731 -11.927 1.00 0.00 C ATOM 778 O LEU A 50 1.648 -1.870 -10.750 1.00 0.00 O ATOM 779 CB LEU A 50 -0.228 -3.393 -12.996 1.00 0.00 C ATOM 780 CG LEU A 50 -1.653 -3.869 -13.289 1.00 0.00 C ATOM 781 CD1 LEU A 50 -1.632 -5.264 -13.893 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.501 -3.848 -12.026 1.00 0.00 C ATOM 0 H LEU A 50 -0.888 -1.368 -14.201 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.754 -1.966 -11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.337 -3.394 -13.928 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.250 -4.114 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.100 -3.185 -14.010 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.653 -5.588 -14.096 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.065 -5.249 -14.824 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.164 -5.956 -13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.509 -4.190 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.058 -4.507 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.544 -2.832 -11.634 1.00 0.00 H new ATOM 794 N ALA A 51 2.157 -1.324 -12.870 1.00 0.00 N ATOM 795 CA ALA A 51 3.544 -1.003 -12.564 1.00 0.00 C ATOM 796 C ALA A 51 3.633 0.190 -11.622 1.00 0.00 C ATOM 797 O ALA A 51 4.381 0.165 -10.645 1.00 0.00 O ATOM 798 CB ALA A 51 4.324 -0.720 -13.839 1.00 0.00 C ATOM 0 H ALA A 51 1.903 -1.209 -13.851 1.00 0.00 H new ATOM 0 HA ALA A 51 3.984 -1.868 -12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.358 -0.482 -13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.300 -1.599 -14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.874 0.125 -14.361 1.00 0.00 H new ATOM 804 N SER A 52 2.855 1.225 -11.910 1.00 0.00 N ATOM 805 CA SER A 52 2.879 2.440 -11.111 1.00 0.00 C ATOM 806 C SER A 52 2.315 2.176 -9.715 1.00 0.00 C ATOM 807 O SER A 52 2.868 2.635 -8.717 1.00 0.00 O ATOM 808 CB SER A 52 2.086 3.552 -11.811 1.00 0.00 C ATOM 809 OG SER A 52 2.296 4.812 -11.187 1.00 0.00 O ATOM 0 H SER A 52 2.200 1.246 -12.691 1.00 0.00 H new ATOM 0 HA SER A 52 3.914 2.765 -11.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.384 3.609 -12.858 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.024 3.309 -11.794 1.00 0.00 H new ATOM 0 HG SER A 52 1.779 5.500 -11.656 1.00 0.00 H new ATOM 815 N ILE A 53 1.222 1.426 -9.652 1.00 0.00 N ATOM 816 CA ILE A 53 0.589 1.098 -8.381 1.00 0.00 C ATOM 817 C ILE A 53 1.497 0.212 -7.539 1.00 0.00 C ATOM 818 O ILE A 53 1.634 0.431 -6.342 1.00 0.00 O ATOM 819 CB ILE A 53 -0.777 0.406 -8.588 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.731 1.348 -9.327 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.375 -0.025 -7.254 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.066 0.726 -9.665 1.00 0.00 C ATOM 0 H ILE A 53 0.754 1.032 -10.469 1.00 0.00 H new ATOM 0 HA ILE A 53 0.418 2.036 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.626 -0.489 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.899 2.234 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.254 1.683 -10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.336 -0.510 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.699 -0.724 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.518 0.850 -6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.685 1.455 -10.187 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.911 -0.143 -10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.566 0.416 -8.747 1.00 0.00 H new ATOM 834 N TRP A 54 2.131 -0.775 -8.165 1.00 0.00 N ATOM 835 CA TRP A 54 3.088 -1.616 -7.456 1.00 0.00 C ATOM 836 C TRP A 54 4.242 -0.770 -6.954 1.00 0.00 C ATOM 837 O TRP A 54 4.638 -0.863 -5.795 1.00 0.00 O ATOM 838 CB TRP A 54 3.629 -2.729 -8.352 1.00 0.00 C ATOM 839 CG TRP A 54 4.611 -3.605 -7.635 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.963 -3.421 -7.541 1.00 0.00 C ATOM 841 CD2 TRP A 54 4.311 -4.783 -6.884 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.519 -4.425 -6.785 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.525 -5.273 -6.372 1.00 0.00 C ATOM 844 CE3 TRP A 54 3.131 -5.474 -6.600 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.591 -6.421 -5.589 1.00 0.00 C ATOM 846 CZ3 TRP A 54 3.200 -6.613 -5.822 1.00 0.00 C ATOM 847 CH2 TRP A 54 4.422 -7.076 -5.324 1.00 0.00 C ATOM 0 H TRP A 54 2.002 -1.010 -9.149 1.00 0.00 H new ATOM 0 HA TRP A 54 2.568 -2.076 -6.616 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.800 -3.337 -8.715 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.108 -2.289 -9.226 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.512 -2.608 -7.993 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.511 -4.523 -6.567 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.183 -5.124 -6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.533 -6.782 -5.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.294 -7.156 -5.594 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.442 -7.969 -4.718 1.00 0.00 H new ATOM 858 N ASN A 55 4.769 0.055 -7.845 1.00 0.00 N ATOM 859 CA ASN A 55 5.866 0.958 -7.516 1.00 0.00 C ATOM 860 C ASN A 55 5.522 1.781 -6.272 1.00 0.00 C ATOM 861 O ASN A 55 6.358 1.999 -5.396 1.00 0.00 O ATOM 862 CB ASN A 55 6.123 1.895 -8.702 1.00 0.00 C ATOM 863 CG ASN A 55 7.277 2.859 -8.479 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.210 4.020 -8.881 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.349 2.388 -7.870 1.00 0.00 N ATOM 0 H ASN A 55 4.452 0.119 -8.812 1.00 0.00 H new ATOM 0 HA ASN A 55 6.762 0.372 -7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.328 1.296 -9.589 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.217 2.467 -8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.157 2.992 -7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.370 1.420 -7.550 1.00 0.00 H new ATOM 872 N LEU A 56 4.278 2.235 -6.218 1.00 0.00 N ATOM 873 CA LEU A 56 3.775 3.011 -5.094 1.00 0.00 C ATOM 874 C LEU A 56 3.536 2.139 -3.858 1.00 0.00 C ATOM 875 O LEU A 56 3.862 2.538 -2.740 1.00 0.00 O ATOM 876 CB LEU A 56 2.474 3.711 -5.501 1.00 0.00 C ATOM 877 CG LEU A 56 2.636 4.877 -6.478 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.276 5.447 -6.857 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.525 5.955 -5.872 1.00 0.00 C ATOM 0 H LEU A 56 3.589 2.076 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 56 4.531 3.751 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.809 2.973 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.982 4.079 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 56 3.115 4.508 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.410 6.276 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.675 4.670 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.769 5.804 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.631 6.778 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.074 6.323 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.507 5.536 -5.653 1.00 0.00 H new ATOM 891 N SER A 57 2.980 0.952 -4.070 1.00 0.00 N ATOM 892 CA SER A 57 2.526 0.100 -2.976 1.00 0.00 C ATOM 893 C SER A 57 3.680 -0.627 -2.285 1.00 0.00 C ATOM 894 O SER A 57 3.641 -0.820 -1.073 1.00 0.00 O ATOM 895 CB SER A 57 1.505 -0.918 -3.493 1.00 0.00 C ATOM 896 OG SER A 57 0.955 -1.687 -2.436 1.00 0.00 O ATOM 0 H SER A 57 2.832 0.555 -4.998 1.00 0.00 H new ATOM 0 HA SER A 57 2.060 0.749 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.705 -0.397 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.983 -1.580 -4.215 1.00 0.00 H new ATOM 0 HG SER A 57 0.648 -1.090 -1.722 1.00 0.00 H new ATOM 902 N ASP A 58 4.686 -1.043 -3.047 1.00 0.00 N ATOM 903 CA ASP A 58 5.835 -1.743 -2.469 1.00 0.00 C ATOM 904 C ASP A 58 6.733 -0.742 -1.748 1.00 0.00 C ATOM 905 O ASP A 58 7.691 -0.211 -2.321 1.00 0.00 O ATOM 906 CB ASP A 58 6.609 -2.492 -3.564 1.00 0.00 C ATOM 907 CG ASP A 58 7.745 -3.364 -3.042 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.765 -3.696 -1.839 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.620 -3.745 -3.855 1.00 0.00 O ATOM 0 H ASP A 58 4.733 -0.911 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 58 5.484 -2.479 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.913 -3.118 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.017 -1.765 -4.266 1.00 0.00 H new ATOM 914 N ILE A 59 6.395 -0.464 -0.493 1.00 0.00 N ATOM 915 CA ILE A 59 7.056 0.582 0.271 1.00 0.00 C ATOM 916 C ILE A 59 8.464 0.163 0.661 1.00 0.00 C ATOM 917 O ILE A 59 9.416 0.933 0.520 1.00 0.00 O ATOM 918 CB ILE A 59 6.275 0.930 1.559 1.00 0.00 C ATOM 919 CG1 ILE A 59 4.806 1.254 1.250 1.00 0.00 C ATOM 920 CG2 ILE A 59 6.937 2.100 2.276 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.613 2.476 0.380 1.00 0.00 C ATOM 0 H ILE A 59 5.661 -0.954 0.018 1.00 0.00 H new ATOM 0 HA ILE A 59 7.094 1.461 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 59 6.295 0.057 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.352 0.395 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.272 1.402 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.378 2.335 3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.960 1.833 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.948 2.970 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.549 2.636 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.035 3.348 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.116 2.326 -0.575 1.00 0.00 H new ATOM 933 N ASP A 60 8.593 -1.065 1.137 1.00 0.00 N ATOM 934 CA ASP A 60 9.872 -1.557 1.636 1.00 0.00 C ATOM 935 C ASP A 60 10.690 -2.196 0.512 1.00 0.00 C ATOM 936 O ASP A 60 11.710 -2.841 0.765 1.00 0.00 O ATOM 937 CB ASP A 60 9.635 -2.551 2.778 1.00 0.00 C ATOM 938 CG ASP A 60 10.906 -2.899 3.527 1.00 0.00 C ATOM 939 OD1 ASP A 60 11.702 -1.979 3.810 1.00 0.00 O ATOM 940 OD2 ASP A 60 11.115 -4.095 3.835 1.00 0.00 O ATOM 0 H ASP A 60 7.830 -1.740 1.189 1.00 0.00 H new ATOM 0 HA ASP A 60 10.447 -0.714 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.911 -2.130 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.195 -3.463 2.374 1.00 0.00 H new ATOM 945 N GLN A 61 10.229 -1.989 -0.732 1.00 0.00 N ATOM 946 CA GLN A 61 10.889 -2.493 -1.949 1.00 0.00 C ATOM 947 C GLN A 61 11.349 -3.944 -1.794 1.00 0.00 C ATOM 948 O GLN A 61 12.397 -4.343 -2.312 1.00 0.00 O ATOM 949 CB GLN A 61 12.054 -1.589 -2.388 1.00 0.00 C ATOM 950 CG GLN A 61 13.020 -1.234 -1.278 1.00 0.00 C ATOM 951 CD GLN A 61 14.302 -0.609 -1.779 1.00 0.00 C ATOM 952 OE1 GLN A 61 14.328 0.045 -2.822 1.00 0.00 O ATOM 953 NE2 GLN A 61 15.374 -0.798 -1.027 1.00 0.00 N ATOM 0 H GLN A 61 9.378 -1.461 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 61 10.138 -2.470 -2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.604 -2.087 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 61 11.647 -0.669 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.533 -0.545 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.260 -2.134 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.306 -1.347 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.269 -0.394 -1.304 1.00 0.00 H new ATOM 962 N ASP A 62 10.535 -4.741 -1.118 1.00 0.00 N ATOM 963 CA ASP A 62 10.902 -6.114 -0.809 1.00 0.00 C ATOM 964 C ASP A 62 10.035 -7.085 -1.603 1.00 0.00 C ATOM 965 O ASP A 62 10.277 -8.294 -1.609 1.00 0.00 O ATOM 966 CB ASP A 62 10.771 -6.372 0.695 1.00 0.00 C ATOM 967 CG ASP A 62 11.481 -7.636 1.133 1.00 0.00 C ATOM 968 OD1 ASP A 62 12.626 -7.861 0.692 1.00 0.00 O ATOM 969 OD2 ASP A 62 10.915 -8.396 1.945 1.00 0.00 O ATOM 0 H ASP A 62 9.617 -4.461 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 62 11.942 -6.273 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.179 -5.522 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.715 -6.443 0.957 1.00 0.00 H new ATOM 974 N GLY A 63 9.027 -6.547 -2.279 1.00 0.00 N ATOM 975 CA GLY A 63 8.178 -7.364 -3.124 1.00 0.00 C ATOM 976 C GLY A 63 7.137 -8.135 -2.341 1.00 0.00 C ATOM 977 O GLY A 63 6.706 -9.209 -2.761 1.00 0.00 O ATOM 0 H GLY A 63 8.782 -5.557 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.678 -6.727 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.797 -8.065 -3.684 1.00 0.00 H new ATOM 981 N LYS A 64 6.749 -7.596 -1.196 1.00 0.00 N ATOM 982 CA LYS A 64 5.725 -8.208 -0.363 1.00 0.00 C ATOM 983 C LYS A 64 4.793 -7.125 0.140 1.00 0.00 C ATOM 984 O LYS A 64 5.242 -6.132 0.703 1.00 0.00 O ATOM 985 CB LYS A 64 6.347 -8.940 0.827 1.00 0.00 C ATOM 986 CG LYS A 64 7.436 -9.925 0.435 1.00 0.00 C ATOM 987 CD LYS A 64 8.314 -10.281 1.620 1.00 0.00 C ATOM 988 CE LYS A 64 9.482 -11.160 1.205 1.00 0.00 C ATOM 989 NZ LYS A 64 10.582 -11.110 2.200 1.00 0.00 N ATOM 0 H LYS A 64 7.131 -6.729 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 64 5.176 -8.937 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.764 -8.206 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.563 -9.473 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.982 -10.830 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.049 -9.496 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.691 -9.368 2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.719 -10.797 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.141 -12.189 1.090 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.854 -10.837 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.294 -11.832 1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.024 -10.169 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.200 -11.294 3.150 1.00 0.00 H new ATOM 1003 N LEU A 65 3.506 -7.313 -0.068 1.00 0.00 N ATOM 1004 CA LEU A 65 2.531 -6.312 0.322 1.00 0.00 C ATOM 1005 C LEU A 65 1.845 -6.711 1.616 1.00 0.00 C ATOM 1006 O LEU A 65 1.125 -7.713 1.668 1.00 0.00 O ATOM 1007 CB LEU A 65 1.494 -6.101 -0.787 1.00 0.00 C ATOM 1008 CG LEU A 65 2.034 -5.465 -2.072 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.887 -5.026 -2.967 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.940 -4.287 -1.749 1.00 0.00 C ATOM 0 H LEU A 65 3.110 -8.146 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 65 3.058 -5.371 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.051 -7.065 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.693 -5.473 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 65 2.623 -6.212 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.286 -4.576 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.277 -5.891 -3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.273 -4.295 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.313 -3.850 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.377 -3.536 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.781 -4.629 -1.145 1.00 0.00 H new ATOM 1022 N THR A 66 2.097 -5.945 2.667 1.00 0.00 N ATOM 1023 CA THR A 66 1.426 -6.164 3.934 1.00 0.00 C ATOM 1024 C THR A 66 -0.013 -5.662 3.850 1.00 0.00 C ATOM 1025 O THR A 66 -0.415 -5.100 2.830 1.00 0.00 O ATOM 1026 CB THR A 66 2.154 -5.458 5.096 1.00 0.00 C ATOM 1027 OG1 THR A 66 2.219 -4.047 4.858 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.564 -6.007 5.273 1.00 0.00 C ATOM 0 H THR A 66 2.759 -5.169 2.665 1.00 0.00 H new ATOM 0 HA THR A 66 1.435 -7.235 4.134 1.00 0.00 H new ATOM 0 HB THR A 66 1.588 -5.647 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.052 -3.833 4.388 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.054 -5.491 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.514 -7.074 5.490 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.134 -5.849 4.357 1.00 0.00 H new ATOM 1036 N ALA A 67 -0.782 -5.867 4.912 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.184 -5.474 4.930 1.00 0.00 C ATOM 1038 C ALA A 67 -2.353 -4.002 4.577 1.00 0.00 C ATOM 1039 O ALA A 67 -3.093 -3.660 3.657 1.00 0.00 O ATOM 1040 CB ALA A 67 -2.802 -5.772 6.288 1.00 0.00 C ATOM 0 H ALA A 67 -0.457 -6.304 5.774 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.705 -6.059 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.850 -5.472 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.731 -6.840 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.269 -5.217 7.060 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.637 -3.145 5.290 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.736 -1.703 5.098 1.00 0.00 C ATOM 1048 C GLU A 68 -1.322 -1.297 3.682 1.00 0.00 C ATOM 1049 O GLU A 68 -1.907 -0.384 3.096 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.874 -0.968 6.132 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.429 -1.000 7.556 1.00 0.00 C ATOM 1052 CD GLU A 68 -1.610 -2.404 8.103 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -0.655 -3.206 8.021 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -2.708 -2.709 8.623 1.00 0.00 O ATOM 0 H GLU A 68 -0.975 -3.425 6.013 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.779 -1.420 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.123 -1.408 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.763 0.071 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.757 -0.447 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.389 -0.484 7.575 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.331 -1.988 3.129 1.00 0.00 N ATOM 1062 CA GLU A 69 0.154 -1.675 1.791 1.00 0.00 C ATOM 1063 C GLU A 69 -0.849 -2.141 0.745 1.00 0.00 C ATOM 1064 O GLU A 69 -1.152 -1.422 -0.203 1.00 0.00 O ATOM 1065 CB GLU A 69 1.514 -2.327 1.550 1.00 0.00 C ATOM 1066 CG GLU A 69 2.607 -1.802 2.467 1.00 0.00 C ATOM 1067 CD GLU A 69 3.882 -2.613 2.369 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.880 -3.764 2.860 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.880 -2.103 1.819 1.00 0.00 O ATOM 0 H GLU A 69 0.149 -2.764 3.584 1.00 0.00 H new ATOM 0 HA GLU A 69 0.269 -0.594 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.421 -3.404 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.809 -2.162 0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.820 -0.763 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.250 -1.814 3.497 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.378 -3.339 0.943 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.358 -3.908 0.035 1.00 0.00 C ATOM 1078 C PHE A 70 -3.645 -3.076 0.042 1.00 0.00 C ATOM 1079 O PHE A 70 -4.249 -2.852 -1.008 1.00 0.00 O ATOM 1080 CB PHE A 70 -2.640 -5.363 0.421 1.00 0.00 C ATOM 1081 CG PHE A 70 -3.687 -6.032 -0.418 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -3.349 -6.715 -1.577 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -5.012 -5.978 -0.041 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -4.324 -7.334 -2.339 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -5.983 -6.590 -0.795 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.649 -7.269 -1.944 1.00 0.00 C ATOM 0 H PHE A 70 -1.141 -3.939 1.733 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.957 -3.890 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.713 -5.932 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.952 -5.396 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.316 -6.764 -1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.290 -5.448 0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.052 -7.866 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.016 -6.538 -0.484 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.416 -7.748 -2.534 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.049 -2.608 1.222 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.211 -1.727 1.344 1.00 0.00 C ATOM 1098 C ILE A 71 -4.985 -0.446 0.544 1.00 0.00 C ATOM 1099 O ILE A 71 -5.878 0.028 -0.166 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.500 -1.375 2.823 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -5.902 -2.629 3.603 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.588 -0.315 2.931 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.065 -2.386 5.087 1.00 0.00 C ATOM 0 H ILE A 71 -3.590 -2.824 2.107 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.075 -2.258 0.945 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.586 -0.969 3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.839 -3.014 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.148 -3.401 3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.771 -0.087 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.268 0.589 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.506 -0.688 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.350 -3.316 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.123 -2.030 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.840 -1.637 5.250 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.778 0.097 0.654 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.386 1.273 -0.107 1.00 0.00 C ATOM 1117 C LEU A 72 -3.443 0.977 -1.605 1.00 0.00 C ATOM 1118 O LEU A 72 -3.998 1.757 -2.381 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.973 1.711 0.292 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.418 2.925 -0.452 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -2.247 4.163 -0.148 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.040 3.141 -0.073 1.00 0.00 C ATOM 0 H LEU A 72 -3.049 -0.264 1.270 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.081 2.082 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.969 1.930 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.295 0.872 0.136 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.475 2.740 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.836 5.017 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.277 3.997 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.222 4.364 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.430 4.008 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.115 3.312 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.620 2.258 -0.342 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.885 -0.169 -1.990 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.879 -0.605 -3.379 1.00 0.00 C ATOM 1136 C ALA A 73 -4.295 -0.717 -3.931 1.00 0.00 C ATOM 1137 O ALA A 73 -4.583 -0.214 -5.013 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.158 -1.938 -3.512 1.00 0.00 C ATOM 0 H ALA A 73 -2.427 -0.817 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.348 0.147 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.162 -2.251 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.129 -1.831 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.666 -2.688 -2.906 1.00 0.00 H new ATOM 1144 N MET A 74 -5.176 -1.367 -3.178 1.00 0.00 N ATOM 1145 CA MET A 74 -6.572 -1.524 -3.586 1.00 0.00 C ATOM 1146 C MET A 74 -7.237 -0.168 -3.781 1.00 0.00 C ATOM 1147 O MET A 74 -8.039 0.011 -4.695 1.00 0.00 O ATOM 1148 CB MET A 74 -7.359 -2.330 -2.549 1.00 0.00 C ATOM 1149 CG MET A 74 -7.008 -3.810 -2.499 1.00 0.00 C ATOM 1150 SD MET A 74 -7.479 -4.713 -3.989 1.00 0.00 S ATOM 1151 CE MET A 74 -6.009 -4.539 -4.998 1.00 0.00 C ATOM 0 H MET A 74 -4.950 -1.795 -2.280 1.00 0.00 H new ATOM 0 HA MET A 74 -6.576 -2.063 -4.533 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.188 -1.896 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.423 -2.229 -2.761 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.934 -3.915 -2.344 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.500 -4.263 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 74 -6.280 -4.615 -6.051 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.551 -3.568 -4.810 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.300 -5.329 -4.748 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.894 0.787 -2.926 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.444 2.131 -3.042 1.00 0.00 C ATOM 1163 C HIS A 75 -6.906 2.818 -4.295 1.00 0.00 C ATOM 1164 O HIS A 75 -7.638 3.526 -4.981 1.00 0.00 O ATOM 1165 CB HIS A 75 -7.124 2.963 -1.795 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.815 4.296 -1.765 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.187 4.432 -1.683 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.317 5.555 -1.792 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.498 5.717 -1.658 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.383 6.416 -1.723 1.00 0.00 N ATOM 0 H HIS A 75 -6.243 0.658 -2.151 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.528 2.050 -3.126 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.408 2.396 -0.908 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.047 3.121 -1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.275 5.830 -1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.496 6.124 -1.595 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.322 7.434 -1.722 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.630 2.602 -4.587 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.017 3.138 -5.798 1.00 0.00 C ATOM 1181 C LEU A 76 -5.653 2.506 -7.032 1.00 0.00 C ATOM 1182 O LEU A 76 -5.834 3.165 -8.057 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.507 2.880 -5.794 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.730 3.560 -4.661 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.258 3.173 -4.713 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.890 5.072 -4.737 1.00 0.00 C ATOM 0 H LEU A 76 -4.997 2.058 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.185 4.215 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.339 1.805 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.095 3.214 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.140 3.219 -3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.723 3.666 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.162 2.092 -4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.834 3.484 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.332 5.538 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.508 5.431 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.945 5.331 -4.648 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.993 1.226 -6.914 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.679 0.502 -7.979 1.00 0.00 C ATOM 1200 C ILE A 77 -7.977 1.204 -8.359 1.00 0.00 C ATOM 1201 O ILE A 77 -8.219 1.481 -9.531 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.997 -0.955 -7.559 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.714 -1.784 -7.427 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -7.950 -1.609 -8.547 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.978 -2.004 -8.733 1.00 0.00 C ATOM 0 H ILE A 77 -5.802 0.665 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.008 0.483 -8.838 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.482 -0.919 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.044 -1.287 -6.725 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.964 -2.754 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.158 -2.631 -8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.881 -1.044 -8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.495 -1.622 -9.537 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.083 -2.599 -8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.627 -2.530 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.693 -1.041 -9.157 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.797 1.502 -7.360 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.103 2.116 -7.590 1.00 0.00 C ATOM 1219 C ASP A 78 -9.960 3.507 -8.201 1.00 0.00 C ATOM 1220 O ASP A 78 -10.741 3.891 -9.075 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.896 2.193 -6.284 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.291 2.753 -6.485 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -13.060 2.184 -7.292 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.627 3.770 -5.842 1.00 0.00 O ATOM 0 H ASP A 78 -8.582 1.329 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.646 1.489 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.967 1.197 -5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.357 2.817 -5.571 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.957 4.251 -7.749 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.683 5.578 -8.290 1.00 0.00 C ATOM 1231 C VAL A 79 -8.307 5.490 -9.771 1.00 0.00 C ATOM 1232 O VAL A 79 -8.867 6.201 -10.609 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.552 6.288 -7.512 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.247 7.647 -8.119 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.925 6.442 -6.046 1.00 0.00 C ATOM 0 H VAL A 79 -8.319 3.958 -7.009 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.595 6.165 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.657 5.670 -7.583 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.448 8.127 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.933 7.521 -9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.141 8.270 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.116 6.944 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.836 7.034 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.091 5.458 -5.607 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.375 4.599 -10.092 1.00 0.00 N ATOM 1246 CA ALA A 80 -6.944 4.410 -11.472 1.00 0.00 C ATOM 1247 C ALA A 80 -8.066 3.802 -12.314 1.00 0.00 C ATOM 1248 O ALA A 80 -8.200 4.094 -13.501 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.698 3.540 -11.522 1.00 0.00 C ATOM 0 H ALA A 80 -6.904 3.997 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.700 5.385 -11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.388 3.408 -12.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.896 4.021 -10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.916 2.567 -11.081 1.00 0.00 H new ATOM 1255 N MET A 81 -8.873 2.959 -11.681 1.00 0.00 N ATOM 1256 CA MET A 81 -10.038 2.360 -12.309 1.00 0.00 C ATOM 1257 C MET A 81 -11.031 3.439 -12.730 1.00 0.00 C ATOM 1258 O MET A 81 -11.777 3.277 -13.699 1.00 0.00 O ATOM 1259 CB MET A 81 -10.677 1.414 -11.300 1.00 0.00 C ATOM 1260 CG MET A 81 -11.350 0.209 -11.905 1.00 0.00 C ATOM 1261 SD MET A 81 -13.055 0.517 -12.403 1.00 0.00 S ATOM 1262 CE MET A 81 -13.552 -1.122 -12.935 1.00 0.00 C ATOM 0 H MET A 81 -8.734 2.672 -10.712 1.00 0.00 H new ATOM 0 HA MET A 81 -9.744 1.814 -13.205 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.909 1.074 -10.605 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.412 1.969 -10.717 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.779 -0.119 -12.774 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.332 -0.608 -11.184 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.629 -1.139 -13.104 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.035 -1.377 -13.860 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.295 -1.848 -12.164 1.00 0.00 H new ATOM 1272 N SER A 82 -11.020 4.549 -12.001 1.00 0.00 N ATOM 1273 CA SER A 82 -11.887 5.679 -12.299 1.00 0.00 C ATOM 1274 C SER A 82 -11.301 6.506 -13.446 1.00 0.00 C ATOM 1275 O SER A 82 -11.964 7.377 -14.004 1.00 0.00 O ATOM 1276 CB SER A 82 -12.060 6.543 -11.041 1.00 0.00 C ATOM 1277 OG SER A 82 -13.047 7.548 -11.221 1.00 0.00 O ATOM 0 H SER A 82 -10.414 4.689 -11.193 1.00 0.00 H new ATOM 0 HA SER A 82 -12.865 5.311 -12.609 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.338 5.908 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.108 7.010 -10.787 1.00 0.00 H new ATOM 0 HG SER A 82 -13.015 7.876 -12.144 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.051 6.218 -13.796 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.404 6.915 -14.890 1.00 0.00 C ATOM 1285 C GLY A 83 -8.497 8.030 -14.419 1.00 0.00 C ATOM 1286 O GLY A 83 -7.964 8.789 -15.228 1.00 0.00 O ATOM 0 H GLY A 83 -9.474 5.512 -13.339 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.823 6.203 -15.476 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.165 7.327 -15.553 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.312 8.127 -13.113 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.491 9.177 -12.541 1.00 0.00 C ATOM 1292 C GLN A 84 -6.014 8.795 -12.588 1.00 0.00 C ATOM 1293 O GLN A 84 -5.663 7.628 -12.415 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.924 9.440 -11.101 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.360 9.922 -10.978 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.581 11.270 -11.633 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -9.903 11.358 -12.819 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.409 12.333 -10.864 1.00 0.00 N ATOM 0 H GLN A 84 -8.721 7.490 -12.429 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.625 10.086 -13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.806 8.524 -10.521 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.260 10.184 -10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.026 9.188 -11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.629 9.986 -9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.142 12.217 -9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.543 13.268 -11.249 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.132 9.779 -12.829 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.693 9.545 -12.884 1.00 0.00 C ATOM 1309 C PRO A 85 -3.070 9.449 -11.495 1.00 0.00 C ATOM 1310 O PRO A 85 -3.552 10.064 -10.538 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.170 10.774 -13.622 1.00 0.00 C ATOM 1312 CG PRO A 85 -4.136 11.860 -13.283 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.473 11.194 -13.077 1.00 0.00 C ATOM 0 HA PRO A 85 -3.447 8.601 -13.370 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.160 11.028 -13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.129 10.602 -14.698 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.824 12.390 -12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.189 12.597 -14.085 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.010 11.629 -12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.113 11.303 -13.953 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.003 8.676 -11.391 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.312 8.494 -10.125 1.00 0.00 C ATOM 1323 C LEU A 86 0.057 9.169 -10.162 1.00 0.00 C ATOM 1324 O LEU A 86 0.721 9.179 -11.197 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.160 7.001 -9.825 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.475 6.224 -9.744 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -2.208 4.735 -9.616 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.311 6.715 -8.571 1.00 0.00 C ATOM 0 H LEU A 86 -1.594 8.162 -12.171 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.902 8.956 -9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.536 6.552 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.629 6.887 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.033 6.396 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.155 4.199 -9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.647 4.390 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.630 4.545 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.243 6.152 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.757 6.571 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.533 7.774 -8.700 1.00 0.00 H new ATOM 1340 N PRO A 87 0.483 9.755 -9.033 1.00 0.00 N ATOM 1341 CA PRO A 87 1.786 10.415 -8.918 1.00 0.00 C ATOM 1342 C PRO A 87 2.933 9.410 -8.806 1.00 0.00 C ATOM 1343 O PRO A 87 2.735 8.282 -8.354 1.00 0.00 O ATOM 1344 CB PRO A 87 1.672 11.231 -7.616 1.00 0.00 C ATOM 1345 CG PRO A 87 0.247 11.110 -7.176 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.276 9.844 -7.785 1.00 0.00 C ATOM 0 HA PRO A 87 2.009 11.020 -9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.350 10.846 -6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.941 12.274 -7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.177 11.076 -6.089 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.336 11.970 -7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.101 8.982 -7.141 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.350 9.894 -7.966 1.00 0.00 H new ATOM 1354 N PRO A 88 4.151 9.809 -9.213 1.00 0.00 N ATOM 1355 CA PRO A 88 5.345 8.964 -9.074 1.00 0.00 C ATOM 1356 C PRO A 88 5.765 8.821 -7.614 1.00 0.00 C ATOM 1357 O PRO A 88 6.336 7.803 -7.210 1.00 0.00 O ATOM 1358 CB PRO A 88 6.412 9.717 -9.872 1.00 0.00 C ATOM 1359 CG PRO A 88 5.957 11.137 -9.889 1.00 0.00 C ATOM 1360 CD PRO A 88 4.453 11.099 -9.857 1.00 0.00 C ATOM 0 HA PRO A 88 5.178 7.947 -9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.392 9.623 -9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.501 9.320 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.351 11.682 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.314 11.649 -10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 88 4.043 11.935 -9.291 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.029 11.155 -10.860 1.00 0.00 H new ATOM 1368 N VAL A 89 5.478 9.849 -6.832 1.00 0.00 N ATOM 1369 CA VAL A 89 5.731 9.827 -5.404 1.00 0.00 C ATOM 1370 C VAL A 89 4.417 9.980 -4.652 1.00 0.00 C ATOM 1371 O VAL A 89 3.567 10.789 -5.028 1.00 0.00 O ATOM 1372 CB VAL A 89 6.717 10.939 -4.969 1.00 0.00 C ATOM 1373 CG1 VAL A 89 8.106 10.681 -5.529 1.00 0.00 C ATOM 1374 CG2 VAL A 89 6.225 12.313 -5.409 1.00 0.00 C ATOM 0 H VAL A 89 5.065 10.718 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 89 6.192 8.869 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 89 6.770 10.923 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.780 11.476 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.474 9.723 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.061 10.659 -6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.937 13.074 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.132 12.336 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.253 12.513 -4.957 1.00 0.00 H new ATOM 1384 N LEU A 90 4.239 9.192 -3.608 1.00 0.00 N ATOM 1385 CA LEU A 90 2.994 9.207 -2.863 1.00 0.00 C ATOM 1386 C LEU A 90 3.095 10.181 -1.693 1.00 0.00 C ATOM 1387 O LEU A 90 4.145 10.276 -1.052 1.00 0.00 O ATOM 1388 CB LEU A 90 2.699 7.794 -2.351 1.00 0.00 C ATOM 1389 CG LEU A 90 1.298 7.573 -1.778 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.250 7.624 -2.879 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.231 6.248 -1.042 1.00 0.00 C ATOM 0 H LEU A 90 4.937 8.536 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 90 2.183 9.533 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.851 7.092 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.429 7.547 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 90 1.087 8.375 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.738 7.464 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.281 8.599 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.456 6.845 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.228 6.105 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.464 5.437 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.952 6.249 -0.225 1.00 0.00 H new ATOM 1403 N PRO A 91 2.013 10.923 -1.402 1.00 0.00 N ATOM 1404 CA PRO A 91 1.953 11.800 -0.229 1.00 0.00 C ATOM 1405 C PRO A 91 1.997 11.009 1.079 1.00 0.00 C ATOM 1406 O PRO A 91 1.544 9.863 1.134 1.00 0.00 O ATOM 1407 CB PRO A 91 0.601 12.512 -0.373 1.00 0.00 C ATOM 1408 CG PRO A 91 0.208 12.328 -1.798 1.00 0.00 C ATOM 1409 CD PRO A 91 0.794 11.014 -2.219 1.00 0.00 C ATOM 0 HA PRO A 91 2.802 12.482 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.143 12.083 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.685 13.569 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.877 12.325 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.588 13.141 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.113 10.186 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.020 10.995 -3.285 1.00 0.00 H new ATOM 1417 N PRO A 92 2.502 11.628 2.157 1.00 0.00 N ATOM 1418 CA PRO A 92 2.690 10.954 3.448 1.00 0.00 C ATOM 1419 C PRO A 92 1.370 10.580 4.117 1.00 0.00 C ATOM 1420 O PRO A 92 1.320 9.674 4.945 1.00 0.00 O ATOM 1421 CB PRO A 92 3.441 11.989 4.300 1.00 0.00 C ATOM 1422 CG PRO A 92 3.931 13.017 3.337 1.00 0.00 C ATOM 1423 CD PRO A 92 2.946 13.027 2.208 1.00 0.00 C ATOM 0 HA PRO A 92 3.225 10.012 3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.784 12.433 5.048 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.270 11.528 4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.992 13.997 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.931 12.772 2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.117 13.708 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.407 13.340 1.271 1.00 0.00 H new ATOM 1431 N GLU A 93 0.306 11.280 3.743 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.019 11.032 4.302 1.00 0.00 C ATOM 1433 C GLU A 93 -1.592 9.716 3.779 1.00 0.00 C ATOM 1434 O GLU A 93 -2.578 9.198 4.307 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.968 12.190 3.967 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.684 13.475 4.738 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.275 13.993 4.537 1.00 0.00 C ATOM 1438 OE1 GLU A 93 0.094 14.290 3.382 1.00 0.00 O ATOM 1439 OE2 GLU A 93 0.476 14.087 5.530 1.00 0.00 O ATOM 0 H GLU A 93 0.335 12.029 3.051 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.921 10.959 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.905 12.399 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.992 11.876 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.394 14.242 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.851 13.298 5.800 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.980 9.190 2.726 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.389 7.911 2.169 1.00 0.00 C ATOM 1448 C TYR A 94 -0.418 6.813 2.589 1.00 0.00 C ATOM 1449 O TYR A 94 -0.752 5.629 2.555 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.459 7.989 0.642 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.525 8.928 0.120 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.271 10.287 -0.026 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.787 8.457 -0.226 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.241 11.149 -0.502 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.762 9.313 -0.705 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.483 10.657 -0.839 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.449 11.514 -1.313 1.00 0.00 O ATOM 0 H TYR A 94 -0.198 9.631 2.241 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.380 7.672 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.489 8.309 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.644 6.990 0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.299 10.676 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.009 7.406 -0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.027 12.202 -0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.736 8.931 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.267 11.010 -1.506 1.00 0.00 H new ATOM 1467 N ILE A 95 0.780 7.220 2.993 1.00 0.00 N ATOM 1468 CA ILE A 95 1.812 6.281 3.411 1.00 0.00 C ATOM 1469 C ILE A 95 1.602 5.888 4.870 1.00 0.00 C ATOM 1470 O ILE A 95 1.551 6.751 5.748 1.00 0.00 O ATOM 1471 CB ILE A 95 3.230 6.883 3.252 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.411 7.478 1.851 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.290 5.819 3.515 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.755 8.144 1.636 1.00 0.00 C ATOM 0 H ILE A 95 1.061 8.200 3.040 1.00 0.00 H new ATOM 0 HA ILE A 95 1.733 5.403 2.770 1.00 0.00 H new ATOM 0 HB ILE A 95 3.347 7.683 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.286 6.687 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.622 8.208 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.281 6.257 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.178 5.437 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.169 5.002 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.807 8.540 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.876 8.958 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.551 7.413 1.781 1.00 0.00 H new ATOM 1486 N PRO A 96 1.478 4.583 5.151 1.00 0.00 N ATOM 1487 CA PRO A 96 1.285 4.092 6.516 1.00 0.00 C ATOM 1488 C PRO A 96 2.455 4.468 7.429 1.00 0.00 C ATOM 1489 O PRO A 96 3.586 4.645 6.966 1.00 0.00 O ATOM 1490 CB PRO A 96 1.195 2.568 6.350 1.00 0.00 C ATOM 1491 CG PRO A 96 1.793 2.280 5.015 1.00 0.00 C ATOM 1492 CD PRO A 96 1.515 3.487 4.168 1.00 0.00 C ATOM 0 HA PRO A 96 0.402 4.526 6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.738 2.054 7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.161 2.228 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.865 2.100 5.098 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.353 1.385 4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.292 3.642 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.571 3.394 3.632 1.00 0.00 H new ATOM 1500 N PRO A 97 2.196 4.588 8.741 1.00 0.00 N ATOM 1501 CA PRO A 97 3.215 4.972 9.722 1.00 0.00 C ATOM 1502 C PRO A 97 4.346 3.959 9.798 1.00 0.00 C ATOM 1503 O PRO A 97 4.151 2.782 9.486 1.00 0.00 O ATOM 1504 CB PRO A 97 2.454 5.012 11.051 1.00 0.00 C ATOM 1505 CG PRO A 97 1.016 5.100 10.673 1.00 0.00 C ATOM 1506 CD PRO A 97 0.889 4.365 9.372 1.00 0.00 C ATOM 0 HA PRO A 97 3.686 5.920 9.461 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.651 4.120 11.645 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.756 5.869 11.653 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.382 4.652 11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.702 6.139 10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 97 0.690 3.304 9.525 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.074 4.758 8.764 1.00 0.00 H new ATOM 1514 N SER A 98 5.526 4.439 10.188 1.00 0.00 N ATOM 1515 CA SER A 98 6.723 3.607 10.340 1.00 0.00 C ATOM 1516 C SER A 98 7.306 3.195 8.980 1.00 0.00 C ATOM 1517 O SER A 98 8.522 3.215 8.794 1.00 0.00 O ATOM 1518 CB SER A 98 6.429 2.377 11.208 1.00 0.00 C ATOM 1519 OG SER A 98 5.883 2.763 12.461 1.00 0.00 O ATOM 0 H SER A 98 5.681 5.423 10.409 1.00 0.00 H new ATOM 0 HA SER A 98 7.477 4.209 10.847 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.732 1.719 10.690 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.346 1.810 11.365 1.00 0.00 H new ATOM 0 HG SER A 98 5.701 1.964 12.999 1.00 0.00 H new ATOM 1525 N PHE A 99 6.441 2.848 8.029 1.00 0.00 N ATOM 1526 CA PHE A 99 6.877 2.502 6.676 1.00 0.00 C ATOM 1527 C PHE A 99 7.457 3.723 5.963 1.00 0.00 C ATOM 1528 O PHE A 99 8.181 3.599 4.975 1.00 0.00 O ATOM 1529 CB PHE A 99 5.711 1.938 5.863 1.00 0.00 C ATOM 1530 CG PHE A 99 5.250 0.577 6.313 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.827 -0.567 5.785 1.00 0.00 C ATOM 1532 CD2 PHE A 99 4.242 0.440 7.254 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.406 -1.821 6.184 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.817 -0.813 7.658 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.401 -1.944 7.122 1.00 0.00 C ATOM 0 H PHE A 99 5.432 2.799 8.170 1.00 0.00 H new ATOM 0 HA PHE A 99 7.654 1.742 6.760 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.872 2.632 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.006 1.882 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.616 -0.477 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.783 1.321 7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.863 -2.704 5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.030 -0.907 8.391 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.072 -2.923 7.436 1.00 0.00 H new ATOM 1545 N ARG A 100 7.116 4.901 6.474 1.00 0.00 N ATOM 1546 CA ARG A 100 7.642 6.160 5.959 1.00 0.00 C ATOM 1547 C ARG A 100 9.162 6.203 6.128 1.00 0.00 C ATOM 1548 O ARG A 100 9.881 6.622 5.222 1.00 0.00 O ATOM 1549 CB ARG A 100 6.970 7.330 6.685 1.00 0.00 C ATOM 1550 CG ARG A 100 5.462 7.362 6.484 1.00 0.00 C ATOM 1551 CD ARG A 100 4.765 8.276 7.482 1.00 0.00 C ATOM 1552 NE ARG A 100 5.200 9.666 7.371 1.00 0.00 N ATOM 1553 CZ ARG A 100 4.389 10.716 7.507 1.00 0.00 C ATOM 1554 NH1 ARG A 100 3.082 10.544 7.675 1.00 0.00 N ATOM 1555 NH2 ARG A 100 4.890 11.942 7.447 1.00 0.00 N ATOM 0 H ARG A 100 6.469 5.010 7.255 1.00 0.00 H new ATOM 0 HA ARG A 100 7.421 6.241 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.188 7.264 7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.399 8.267 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.240 7.697 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.063 6.352 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.687 8.223 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.959 7.918 8.493 1.00 0.00 H new ATOM 0 HE ARG A 100 6.185 9.845 7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.691 9.602 7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.470 11.354 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.890 12.078 7.298 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.276 12.750 7.550 1.00 0.00 H new ATOM 1569 N ARG A 101 9.622 5.750 7.296 1.00 0.00 N ATOM 1570 CA ARG A 101 11.047 5.566 7.600 1.00 0.00 C ATOM 1571 C ARG A 101 11.897 6.799 7.268 1.00 0.00 C ATOM 1572 O ARG A 101 12.468 6.904 6.178 1.00 0.00 O ATOM 1573 CB ARG A 101 11.605 4.339 6.866 1.00 0.00 C ATOM 1574 CG ARG A 101 12.955 3.875 7.400 1.00 0.00 C ATOM 1575 CD ARG A 101 13.486 2.663 6.645 1.00 0.00 C ATOM 1576 NE ARG A 101 13.992 3.008 5.315 1.00 0.00 N ATOM 1577 CZ ARG A 101 14.286 2.107 4.373 1.00 0.00 C ATOM 1578 NH1 ARG A 101 14.134 0.808 4.616 1.00 0.00 N ATOM 1579 NH2 ARG A 101 14.756 2.511 3.197 1.00 0.00 N ATOM 0 H ARG A 101 9.008 5.496 8.070 1.00 0.00 H new ATOM 0 HA ARG A 101 11.110 5.411 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.890 3.520 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 101 11.703 4.573 5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 101 13.674 4.691 7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.861 3.629 8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 101 14.284 2.199 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.691 1.923 6.547 1.00 0.00 H new ATOM 0 HE ARG A 101 14.128 3.995 5.094 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.792 0.496 5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.360 0.124 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.891 3.506 3.016 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.982 1.826 2.475 1.00 0.00 H new ATOM 1593 N VAL A 102 11.975 7.728 8.209 1.00 0.00 N ATOM 1594 CA VAL A 102 12.868 8.871 8.078 1.00 0.00 C ATOM 1595 C VAL A 102 14.140 8.631 8.888 1.00 0.00 C ATOM 1596 O VAL A 102 14.098 8.434 10.105 1.00 0.00 O ATOM 1597 CB VAL A 102 12.193 10.198 8.504 1.00 0.00 C ATOM 1598 CG1 VAL A 102 11.164 10.622 7.471 1.00 0.00 C ATOM 1599 CG2 VAL A 102 11.543 10.070 9.873 1.00 0.00 C ATOM 0 H VAL A 102 11.431 7.713 9.072 1.00 0.00 H new ATOM 0 HA VAL A 102 13.123 8.971 7.023 1.00 0.00 H new ATOM 0 HB VAL A 102 12.967 10.963 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.698 11.556 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.653 10.766 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.401 9.849 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.078 11.017 10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.784 9.288 9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.301 9.813 10.613 1.00 0.00 H new ATOM 1609 N ARG A 103 15.266 8.611 8.195 1.00 0.00 N ATOM 1610 CA ARG A 103 16.545 8.290 8.814 1.00 0.00 C ATOM 1611 C ARG A 103 17.645 9.181 8.233 1.00 0.00 C ATOM 1612 O ARG A 103 18.765 8.733 7.985 1.00 0.00 O ATOM 1613 CB ARG A 103 16.865 6.806 8.572 1.00 0.00 C ATOM 1614 CG ARG A 103 18.058 6.274 9.357 1.00 0.00 C ATOM 1615 CD ARG A 103 17.779 6.209 10.848 1.00 0.00 C ATOM 1616 NE ARG A 103 18.925 5.677 11.586 1.00 0.00 N ATOM 1617 CZ ARG A 103 18.847 4.679 12.469 1.00 0.00 C ATOM 1618 NH1 ARG A 103 17.682 4.092 12.718 1.00 0.00 N ATOM 1619 NH2 ARG A 103 19.943 4.262 13.086 1.00 0.00 N ATOM 0 H ARG A 103 15.322 8.814 7.197 1.00 0.00 H new ATOM 0 HA ARG A 103 16.490 8.472 9.887 1.00 0.00 H new ATOM 0 HB2 ARG A 103 15.987 6.213 8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.052 6.658 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.316 5.279 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.923 6.913 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 103 17.538 7.206 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 103 16.906 5.582 11.029 1.00 0.00 H new ATOM 0 HE ARG A 103 19.840 6.094 11.415 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.840 4.403 12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.629 3.330 13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 103 20.840 4.703 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 103 19.889 3.500 13.762 1.00 0.00 H new ATOM 1633 N LEU A 104 17.325 10.450 8.030 1.00 0.00 N ATOM 1634 CA LEU A 104 18.272 11.376 7.424 1.00 0.00 C ATOM 1635 C LEU A 104 19.351 11.786 8.422 1.00 0.00 C ATOM 1636 O LEU A 104 19.157 12.688 9.242 1.00 0.00 O ATOM 1637 CB LEU A 104 17.557 12.614 6.874 1.00 0.00 C ATOM 1638 CG LEU A 104 18.452 13.600 6.118 1.00 0.00 C ATOM 1639 CD1 LEU A 104 19.098 12.927 4.915 1.00 0.00 C ATOM 1640 CD2 LEU A 104 17.649 14.813 5.677 1.00 0.00 C ATOM 0 H LEU A 104 16.424 10.861 8.274 1.00 0.00 H new ATOM 0 HA LEU A 104 18.751 10.860 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 104 16.759 12.287 6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 104 17.084 13.140 7.704 1.00 0.00 H new ATOM 0 HG LEU A 104 19.242 13.931 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 104 19.730 13.645 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 104 19.705 12.087 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 104 18.322 12.567 4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 104 18.299 15.505 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.839 14.494 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 104 17.232 15.311 6.552 1.00 0.00 H new ATOM 1652 N GLU A 105 20.475 11.087 8.356 1.00 0.00 N ATOM 1653 CA GLU A 105 21.638 11.393 9.174 1.00 0.00 C ATOM 1654 C GLU A 105 22.891 11.043 8.379 1.00 0.00 C ATOM 1655 O GLU A 105 22.841 10.173 7.501 1.00 0.00 O ATOM 1656 CB GLU A 105 21.591 10.602 10.489 1.00 0.00 C ATOM 1657 CG GLU A 105 21.967 11.418 11.721 1.00 0.00 C ATOM 1658 CD GLU A 105 23.392 11.929 11.691 1.00 0.00 C ATOM 1659 OE1 GLU A 105 23.627 13.025 11.134 1.00 0.00 O ATOM 1660 OE2 GLU A 105 24.284 11.239 12.221 1.00 0.00 O ATOM 0 H GLU A 105 20.606 10.290 7.732 1.00 0.00 H new ATOM 0 HA GLU A 105 21.647 12.453 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.586 10.202 10.624 1.00 0.00 H new ATOM 0 HB3 GLU A 105 22.265 9.749 10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 105 21.287 12.265 11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 105 21.827 10.804 12.611 1.00 0.00 H new ATOM 1667 N HIS A 106 23.996 11.722 8.680 1.00 0.00 N ATOM 1668 CA HIS A 106 25.254 11.542 7.952 1.00 0.00 C ATOM 1669 C HIS A 106 25.080 11.927 6.486 1.00 0.00 C ATOM 1670 O HIS A 106 24.885 11.061 5.629 1.00 0.00 O ATOM 1671 CB HIS A 106 25.758 10.091 8.042 1.00 0.00 C ATOM 1672 CG HIS A 106 26.097 9.630 9.425 1.00 0.00 C ATOM 1673 ND1 HIS A 106 25.273 8.814 10.166 1.00 0.00 N ATOM 1674 CD2 HIS A 106 27.191 9.846 10.190 1.00 0.00 C ATOM 1675 CE1 HIS A 106 25.843 8.544 11.322 1.00 0.00 C ATOM 1676 NE2 HIS A 106 27.012 9.156 11.365 1.00 0.00 N ATOM 0 H HIS A 106 24.047 12.410 9.432 1.00 0.00 H new ATOM 0 HA HIS A 106 25.994 12.193 8.417 1.00 0.00 H new ATOM 0 HB2 HIS A 106 24.995 9.430 7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 106 26.642 9.988 7.413 1.00 0.00 H new ATOM 0 HD2 HIS A 106 28.047 10.449 9.926 1.00 0.00 H new ATOM 0 HE1 HIS A 106 25.425 7.926 12.103 1.00 0.00 H new ATOM 0 HE2 HIS A 106 27.673 9.122 12.141 1.00 0.00 H new ATOM 1685 N HIS A 107 25.131 13.221 6.191 1.00 0.00 N ATOM 1686 CA HIS A 107 24.941 13.675 4.820 1.00 0.00 C ATOM 1687 C HIS A 107 26.092 14.566 4.365 1.00 0.00 C ATOM 1688 O HIS A 107 26.133 15.758 4.671 1.00 0.00 O ATOM 1689 CB HIS A 107 23.609 14.412 4.666 1.00 0.00 C ATOM 1690 CG HIS A 107 23.183 14.563 3.238 1.00 0.00 C ATOM 1691 ND1 HIS A 107 22.713 13.510 2.485 1.00 0.00 N ATOM 1692 CD2 HIS A 107 23.166 15.643 2.422 1.00 0.00 C ATOM 1693 CE1 HIS A 107 22.423 13.934 1.269 1.00 0.00 C ATOM 1694 NE2 HIS A 107 22.691 15.224 1.205 1.00 0.00 N ATOM 0 H HIS A 107 25.299 13.963 6.871 1.00 0.00 H new ATOM 0 HA HIS A 107 24.924 12.790 4.184 1.00 0.00 H new ATOM 0 HB2 HIS A 107 22.837 13.873 5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 107 23.692 15.399 5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 107 23.470 16.647 2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.033 13.328 0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 107 22.565 15.815 0.383 1.00 0.00 H new ATOM 1703 N HIS A 108 27.034 13.966 3.656 1.00 0.00 N ATOM 1704 CA HIS A 108 28.171 14.685 3.083 1.00 0.00 C ATOM 1705 C HIS A 108 28.458 14.120 1.700 1.00 0.00 C ATOM 1706 O HIS A 108 28.426 14.834 0.699 1.00 0.00 O ATOM 1707 CB HIS A 108 29.423 14.542 3.966 1.00 0.00 C ATOM 1708 CG HIS A 108 29.328 15.231 5.299 1.00 0.00 C ATOM 1709 ND1 HIS A 108 29.963 16.420 5.578 1.00 0.00 N ATOM 1710 CD2 HIS A 108 28.665 14.892 6.432 1.00 0.00 C ATOM 1711 CE1 HIS A 108 29.694 16.782 6.819 1.00 0.00 C ATOM 1712 NE2 HIS A 108 28.906 15.873 7.362 1.00 0.00 N ATOM 0 H HIS A 108 27.036 12.965 3.459 1.00 0.00 H new ATOM 0 HA HIS A 108 27.922 15.744 3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 108 29.616 13.482 4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 108 30.281 14.941 3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 108 28.058 14.011 6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 108 30.058 17.673 7.308 1.00 0.00 H new ATOM 0 HE2 HIS A 108 28.538 15.895 8.313 1.00 0.00 H new ATOM 1721 N HIS A 109 28.714 12.817 1.681 1.00 0.00 N ATOM 1722 CA HIS A 109 28.941 12.047 0.462 1.00 0.00 C ATOM 1723 C HIS A 109 30.151 12.550 -0.328 1.00 0.00 C ATOM 1724 O HIS A 109 31.271 12.076 -0.121 1.00 0.00 O ATOM 1725 CB HIS A 109 27.686 12.036 -0.415 1.00 0.00 C ATOM 1726 CG HIS A 109 27.624 10.867 -1.347 1.00 0.00 C ATOM 1727 ND1 HIS A 109 27.295 9.596 -0.928 1.00 0.00 N ATOM 1728 CD2 HIS A 109 27.857 10.775 -2.676 1.00 0.00 C ATOM 1729 CE1 HIS A 109 27.328 8.772 -1.958 1.00 0.00 C ATOM 1730 NE2 HIS A 109 27.666 9.463 -3.030 1.00 0.00 N ATOM 0 H HIS A 109 28.771 12.254 2.530 1.00 0.00 H new ATOM 0 HA HIS A 109 29.163 11.025 0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 109 26.804 12.028 0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 109 27.650 12.957 -0.996 1.00 0.00 H new ATOM 0 HD2 HIS A 109 28.140 11.582 -3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 109 27.115 7.714 -1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 109 27.769 9.083 -3.971 1.00 0.00 H new ATOM 1739 N HIS A 110 29.930 13.514 -1.219 1.00 0.00 N ATOM 1740 CA HIS A 110 30.983 13.987 -2.112 1.00 0.00 C ATOM 1741 C HIS A 110 30.495 15.161 -2.947 1.00 0.00 C ATOM 1742 O HIS A 110 29.400 15.121 -3.507 1.00 0.00 O ATOM 1743 CB HIS A 110 31.441 12.852 -3.044 1.00 0.00 C ATOM 1744 CG HIS A 110 32.574 13.222 -3.958 1.00 0.00 C ATOM 1745 ND1 HIS A 110 33.889 12.911 -3.690 1.00 0.00 N ATOM 1746 CD2 HIS A 110 32.581 13.871 -5.150 1.00 0.00 C ATOM 1747 CE1 HIS A 110 34.655 13.354 -4.670 1.00 0.00 C ATOM 1748 NE2 HIS A 110 33.885 13.939 -5.567 1.00 0.00 N ATOM 0 H HIS A 110 29.032 13.982 -1.341 1.00 0.00 H new ATOM 0 HA HIS A 110 31.823 14.314 -1.499 1.00 0.00 H new ATOM 0 HB2 HIS A 110 31.743 11.999 -2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 110 30.593 12.529 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 110 31.720 14.261 -5.672 1.00 0.00 H new ATOM 0 HE1 HIS A 110 35.729 13.254 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 110 34.208 14.372 -6.432 1.00 0.00 H new ATOM 1757 N HIS A 111 31.315 16.200 -3.016 1.00 0.00 N ATOM 1758 CA HIS A 111 31.100 17.306 -3.935 1.00 0.00 C ATOM 1759 C HIS A 111 32.377 18.125 -4.031 1.00 0.00 C ATOM 1760 O HIS A 111 33.169 17.881 -4.955 1.00 0.00 O ATOM 1761 CB HIS A 111 29.936 18.198 -3.496 1.00 0.00 C ATOM 1762 CG HIS A 111 29.543 19.203 -4.537 1.00 0.00 C ATOM 1763 ND1 HIS A 111 30.142 20.438 -4.662 1.00 0.00 N ATOM 1764 CD2 HIS A 111 28.610 19.144 -5.517 1.00 0.00 C ATOM 1765 CE1 HIS A 111 29.597 21.092 -5.669 1.00 0.00 C ATOM 1766 NE2 HIS A 111 28.667 20.327 -6.206 1.00 0.00 N ATOM 1767 OXT HIS A 111 32.598 18.980 -3.151 1.00 0.00 O ATOM 0 H HIS A 111 32.148 16.299 -2.436 1.00 0.00 H new ATOM 0 HA HIS A 111 30.841 16.895 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 111 29.075 17.572 -3.260 1.00 0.00 H new ATOM 0 HB3 HIS A 111 30.211 18.721 -2.580 1.00 0.00 H new ATOM 0 HD2 HIS A 111 27.944 18.318 -5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 111 29.866 22.085 -5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 111 28.084 20.576 -7.005 1.00 0.00 H new TER 1776 HIS A 111