USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 950 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 1 MET CE :methyl -179:sc= -0.359 (180deg=-0.361) USER MOD Set 1.2: A 103 TYR OH : rot 30:sc= -0.0389 USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.066 (180deg=0) USER MOD Single : A 8 SER OG : rot 71:sc= 0.828 USER MOD Single : A 10 ASN : amide:sc= 0.498 X(o=0.5,f=0.97) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -170:sc= -0.379 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.726 X(o=-0.73,f=-0.72) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0021 X(o=-0.0021,f=-0.17) USER MOD Single : A 35 ASN : amide:sc= -0.0438 K(o=-0.044,f=-0.55) USER MOD Single : A 41 SER OG : rot -119:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= -6.11! K(o=-6.1!,f=-0.65) USER MOD Single : A 49 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.0825 K(o=-0.083,f=-0.61) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 1.02 (180deg=0.378) USER MOD Single : A 84 MET CE :methyl 166:sc= -1.53 (180deg=-2) USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= -0.0283 (180deg=-0.504) USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= 1.85 (180deg=0.956) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.494 K(o=0.49,f=-1.6) USER MOD Single : A 105 SER OG : rot 87:sc= 0.0175 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot -23:sc= 1.24 USER MOD Single : A 116 HIS : no HD1:sc=-0.000489 X(o=-0.00049,f=-0.21) USER MOD Single : A 118 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.033) USER MOD Single : A 120 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.0076) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 123 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.026) USER MOD Single : A 124 HIS : no HD1:sc=-0.00132 X(o=-0.0013,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.993 -9.079 -3.415 1.00 0.00 N ATOM 2 CA MET A 1 -4.531 -7.687 -3.484 1.00 0.00 C ATOM 3 C MET A 1 -3.194 -7.513 -2.770 1.00 0.00 C ATOM 4 O MET A 1 -2.878 -8.271 -1.861 1.00 0.00 O ATOM 5 CB MET A 1 -5.626 -6.743 -2.963 1.00 0.00 C ATOM 6 CG MET A 1 -5.797 -6.718 -1.445 1.00 0.00 C ATOM 7 SD MET A 1 -7.500 -6.724 -0.811 1.00 0.00 S ATOM 8 CE MET A 1 -8.326 -5.498 -1.865 1.00 0.00 C ATOM 0 H1 MET A 1 -6.011 -9.097 -3.202 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.822 -9.547 -4.328 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.474 -9.580 -2.666 1.00 0.00 H new ATOM 0 HA MET A 1 -4.347 -7.419 -4.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.404 -5.732 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.576 -7.030 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.277 -7.582 -1.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.295 -5.830 -1.061 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.368 -5.400 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.826 -4.535 -1.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.280 -5.822 -2.905 1.00 0.00 H new ATOM 18 N ILE A 2 -2.418 -6.495 -3.142 1.00 0.00 N ATOM 19 CA ILE A 2 -1.264 -5.987 -2.396 1.00 0.00 C ATOM 20 C ILE A 2 -1.667 -4.552 -2.027 1.00 0.00 C ATOM 21 O ILE A 2 -2.389 -3.911 -2.799 1.00 0.00 O ATOM 22 CB ILE A 2 0.036 -6.054 -3.234 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.192 -7.432 -3.909 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.267 -5.732 -2.370 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.525 -7.641 -4.640 1.00 0.00 C ATOM 0 H ILE A 2 -2.582 -5.980 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.034 -6.581 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.037 -5.300 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.084 -8.207 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.622 -7.567 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.166 -5.786 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.169 -4.728 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.339 -6.453 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.545 -8.637 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.631 -6.892 -5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.348 -7.543 -3.932 1.00 0.00 H new ATOM 37 N ILE A 3 -1.259 -4.080 -0.853 1.00 0.00 N ATOM 38 CA ILE A 3 -1.754 -2.932 -0.110 1.00 0.00 C ATOM 39 C ILE A 3 -0.523 -2.138 0.276 1.00 0.00 C ATOM 40 O ILE A 3 0.207 -2.544 1.177 1.00 0.00 O ATOM 41 CB ILE A 3 -2.518 -3.377 1.158 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.721 -4.261 0.805 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.001 -2.159 1.964 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.074 -5.225 1.942 1.00 0.00 C ATOM 0 H ILE A 3 -0.499 -4.539 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.452 -2.346 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.822 -3.957 1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.582 -3.631 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.501 -4.830 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.536 -2.499 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.143 -1.558 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.667 -1.556 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.931 -5.832 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.222 -5.874 2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.320 -4.656 2.838 1.00 0.00 H new ATOM 56 N ALA A 4 -0.276 -1.036 -0.420 1.00 0.00 N ATOM 57 CA ALA A 4 0.806 -0.138 -0.002 1.00 0.00 C ATOM 58 C ALA A 4 0.317 0.727 1.145 1.00 0.00 C ATOM 59 O ALA A 4 -0.804 1.239 1.104 1.00 0.00 O ATOM 60 CB ALA A 4 1.388 0.745 -1.116 1.00 0.00 C ATOM 0 H ALA A 4 -0.789 -0.743 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 4 1.630 -0.782 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.180 1.372 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.796 0.113 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.601 1.377 -1.528 1.00 0.00 H new ATOM 66 N ILE A 5 1.205 0.965 2.102 1.00 0.00 N ATOM 67 CA ILE A 5 1.061 1.941 3.166 1.00 0.00 C ATOM 68 C ILE A 5 2.378 2.722 3.156 1.00 0.00 C ATOM 69 O ILE A 5 3.433 2.114 3.343 1.00 0.00 O ATOM 70 CB ILE A 5 0.761 1.247 4.514 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.628 0.573 4.479 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.787 2.271 5.665 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.845 -0.447 5.595 1.00 0.00 C ATOM 0 H ILE A 5 2.087 0.456 2.157 1.00 0.00 H new ATOM 0 HA ILE A 5 0.217 2.615 3.020 1.00 0.00 H new ATOM 0 HB ILE A 5 1.529 0.491 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.397 1.342 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.758 0.078 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.574 1.765 6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.772 2.735 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.034 3.038 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.842 -0.878 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.099 -1.238 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.749 0.046 6.562 1.00 0.00 H new ATOM 85 N PRO A 6 2.375 4.035 2.874 1.00 0.00 N ATOM 86 CA PRO A 6 3.565 4.853 3.029 1.00 0.00 C ATOM 87 C PRO A 6 3.866 4.964 4.519 1.00 0.00 C ATOM 88 O PRO A 6 2.959 5.284 5.289 1.00 0.00 O ATOM 89 CB PRO A 6 3.212 6.197 2.390 1.00 0.00 C ATOM 90 CG PRO A 6 1.692 6.296 2.496 1.00 0.00 C ATOM 91 CD PRO A 6 1.217 4.845 2.540 1.00 0.00 C ATOM 0 HA PRO A 6 4.458 4.446 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.699 7.022 2.910 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.539 6.238 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.391 6.840 3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.268 6.827 1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.429 4.718 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.800 4.545 1.579 1.00 0.00 H new ATOM 99 N VAL A 7 5.107 4.733 4.941 1.00 0.00 N ATOM 100 CA VAL A 7 5.486 4.785 6.352 1.00 0.00 C ATOM 101 C VAL A 7 6.629 5.760 6.557 1.00 0.00 C ATOM 102 O VAL A 7 7.317 6.142 5.612 1.00 0.00 O ATOM 103 CB VAL A 7 5.806 3.391 6.914 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.534 2.560 7.002 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.881 2.639 6.124 1.00 0.00 C ATOM 0 H VAL A 7 5.879 4.504 4.315 1.00 0.00 H new ATOM 0 HA VAL A 7 4.629 5.150 6.918 1.00 0.00 H new ATOM 0 HB VAL A 7 6.220 3.548 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.771 1.574 7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.820 3.056 7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.099 2.454 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.053 1.664 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.549 2.504 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.808 3.212 6.134 1.00 0.00 H new ATOM 115 N SER A 8 6.790 6.184 7.805 1.00 0.00 N ATOM 116 CA SER A 8 7.751 7.197 8.199 1.00 0.00 C ATOM 117 C SER A 8 9.128 6.560 8.463 1.00 0.00 C ATOM 118 O SER A 8 10.153 7.219 8.290 1.00 0.00 O ATOM 119 CB SER A 8 7.252 7.914 9.467 1.00 0.00 C ATOM 120 OG SER A 8 5.830 8.031 9.515 1.00 0.00 O ATOM 0 H SER A 8 6.242 5.823 8.586 1.00 0.00 H new ATOM 0 HA SER A 8 7.854 7.920 7.390 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.597 7.369 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.695 8.909 9.514 1.00 0.00 H new ATOM 0 HG SER A 8 5.435 7.149 9.678 1.00 0.00 H new ATOM 126 N GLU A 9 9.161 5.295 8.905 1.00 0.00 N ATOM 127 CA GLU A 9 10.344 4.545 9.322 1.00 0.00 C ATOM 128 C GLU A 9 10.111 3.063 8.998 1.00 0.00 C ATOM 129 O GLU A 9 8.965 2.603 8.952 1.00 0.00 O ATOM 130 CB GLU A 9 10.578 4.724 10.835 1.00 0.00 C ATOM 131 CG GLU A 9 11.117 6.119 11.187 1.00 0.00 C ATOM 132 CD GLU A 9 11.329 6.331 12.685 1.00 0.00 C ATOM 133 OE1 GLU A 9 11.801 5.407 13.383 1.00 0.00 O ATOM 134 OE2 GLU A 9 10.984 7.435 13.175 1.00 0.00 O ATOM 0 H GLU A 9 8.310 4.739 8.984 1.00 0.00 H new ATOM 0 HA GLU A 9 11.225 4.911 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.641 4.555 11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.282 3.968 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.063 6.276 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.422 6.872 10.816 1.00 0.00 H new ATOM 141 N ASN A 10 11.202 2.323 8.804 1.00 0.00 N ATOM 142 CA ASN A 10 11.276 0.936 8.358 1.00 0.00 C ATOM 143 C ASN A 10 11.146 0.011 9.561 1.00 0.00 C ATOM 144 O ASN A 10 12.091 -0.688 9.940 1.00 0.00 O ATOM 145 CB ASN A 10 12.607 0.737 7.608 1.00 0.00 C ATOM 146 CG ASN A 10 12.717 -0.546 6.787 1.00 0.00 C ATOM 147 OD1 ASN A 10 12.956 -0.508 5.590 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.627 -1.726 7.376 1.00 0.00 N ATOM 0 H ASN A 10 12.131 2.711 8.969 1.00 0.00 H new ATOM 0 HA ASN A 10 10.460 0.696 7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.759 1.587 6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.419 0.752 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.756 -2.579 6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.428 -1.784 8.375 1.00 0.00 H new ATOM 155 N ARG A 11 9.969 -0.005 10.185 1.00 0.00 N ATOM 156 CA ARG A 11 9.752 -0.764 11.416 1.00 0.00 C ATOM 157 C ARG A 11 8.871 -1.982 11.149 1.00 0.00 C ATOM 158 O ARG A 11 8.063 -2.347 11.997 1.00 0.00 O ATOM 159 CB ARG A 11 9.187 0.170 12.500 1.00 0.00 C ATOM 160 CG ARG A 11 10.103 1.367 12.762 1.00 0.00 C ATOM 161 CD ARG A 11 9.784 2.008 14.115 1.00 0.00 C ATOM 162 NE ARG A 11 10.788 3.017 14.471 1.00 0.00 N ATOM 163 CZ ARG A 11 11.752 2.920 15.391 1.00 0.00 C ATOM 164 NH1 ARG A 11 12.032 1.779 16.017 1.00 0.00 N ATOM 165 NH2 ARG A 11 12.438 4.018 15.676 1.00 0.00 N ATOM 0 H ARG A 11 9.147 0.502 9.856 1.00 0.00 H new ATOM 0 HA ARG A 11 10.699 -1.155 11.787 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.204 0.527 12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.049 -0.390 13.425 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.144 1.045 12.743 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.983 2.104 11.968 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.797 2.469 14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.748 1.238 14.886 1.00 0.00 H new ATOM 0 HE ARG A 11 10.745 3.896 13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.502 0.935 15.800 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.777 1.749 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.221 4.893 15.199 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.183 3.988 16.372 1.00 0.00 H new ATOM 179 N GLY A 12 9.063 -2.658 10.010 1.00 0.00 N ATOM 180 CA GLY A 12 8.261 -3.779 9.526 1.00 0.00 C ATOM 181 C GLY A 12 6.765 -3.490 9.528 1.00 0.00 C ATOM 182 O GLY A 12 6.193 -3.096 8.513 1.00 0.00 O ATOM 0 H GLY A 12 9.822 -2.423 9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.575 -4.031 8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.457 -4.653 10.147 1.00 0.00 H new ATOM 186 N LYS A 13 6.142 -3.686 10.684 1.00 0.00 N ATOM 187 CA LYS A 13 4.705 -3.749 10.914 1.00 0.00 C ATOM 188 C LYS A 13 4.292 -2.663 11.884 1.00 0.00 C ATOM 189 O LYS A 13 3.274 -2.013 11.671 1.00 0.00 O ATOM 190 CB LYS A 13 4.383 -5.123 11.494 1.00 0.00 C ATOM 191 CG LYS A 13 4.772 -6.208 10.492 1.00 0.00 C ATOM 192 CD LYS A 13 4.713 -7.596 11.106 1.00 0.00 C ATOM 193 CE LYS A 13 5.932 -7.840 11.997 1.00 0.00 C ATOM 194 NZ LYS A 13 5.849 -9.151 12.659 1.00 0.00 N ATOM 0 H LYS A 13 6.668 -3.814 11.549 1.00 0.00 H new ATOM 0 HA LYS A 13 4.162 -3.598 9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.922 -5.269 12.430 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.320 -5.191 11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.104 -6.163 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.780 -6.017 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.800 -7.702 11.692 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.675 -8.348 10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.841 -7.789 11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.001 -7.053 12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.688 -9.292 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.993 -9.189 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.807 -9.901 11.940 1.00 0.00 H new ATOM 208 N ASP A 14 5.132 -2.423 12.888 1.00 0.00 N ATOM 209 CA ASP A 14 5.141 -1.229 13.713 1.00 0.00 C ATOM 210 C ASP A 14 5.524 0.031 12.920 1.00 0.00 C ATOM 211 O ASP A 14 5.513 1.118 13.496 1.00 0.00 O ATOM 212 CB ASP A 14 6.025 -1.404 14.967 1.00 0.00 C ATOM 213 CG ASP A 14 7.290 -2.250 14.900 1.00 0.00 C ATOM 214 OD1 ASP A 14 7.183 -3.471 14.624 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.370 -1.766 15.303 1.00 0.00 O ATOM 0 H ASP A 14 5.856 -3.089 13.157 1.00 0.00 H new ATOM 0 HA ASP A 14 4.116 -1.083 14.055 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.319 -0.408 15.297 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.395 -1.826 15.750 1.00 0.00 H new ATOM 220 N SER A 15 5.827 -0.083 11.619 1.00 0.00 N ATOM 221 CA SER A 15 6.022 1.003 10.658 1.00 0.00 C ATOM 222 C SER A 15 4.914 2.057 10.783 1.00 0.00 C ATOM 223 O SER A 15 3.770 1.769 10.427 1.00 0.00 O ATOM 224 CB SER A 15 6.121 0.416 9.261 1.00 0.00 C ATOM 225 OG SER A 15 7.110 -0.580 9.178 1.00 0.00 O ATOM 0 H SER A 15 5.950 -0.998 11.185 1.00 0.00 H new ATOM 0 HA SER A 15 6.955 1.525 10.872 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.157 -0.005 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.345 1.210 8.549 1.00 0.00 H new ATOM 0 HG SER A 15 7.254 -0.821 8.239 1.00 0.00 H new ATOM 231 N PRO A 16 5.204 3.252 11.326 1.00 0.00 N ATOM 232 CA PRO A 16 4.177 4.258 11.547 1.00 0.00 C ATOM 233 C PRO A 16 3.808 4.923 10.221 1.00 0.00 C ATOM 234 O PRO A 16 4.699 5.429 9.527 1.00 0.00 O ATOM 235 CB PRO A 16 4.802 5.247 12.532 1.00 0.00 C ATOM 236 CG PRO A 16 6.307 5.131 12.292 1.00 0.00 C ATOM 237 CD PRO A 16 6.490 3.678 11.873 1.00 0.00 C ATOM 0 HA PRO A 16 3.251 3.844 11.945 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.449 6.262 12.352 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.544 4.998 13.561 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.644 5.818 11.516 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.876 5.364 13.192 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.281 3.583 11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.776 3.060 12.724 1.00 0.00 H new ATOM 245 N ILE A 17 2.517 4.940 9.873 1.00 0.00 N ATOM 246 CA ILE A 17 2.032 5.499 8.614 1.00 0.00 C ATOM 247 C ILE A 17 2.502 6.953 8.444 1.00 0.00 C ATOM 248 O ILE A 17 2.460 7.761 9.378 1.00 0.00 O ATOM 249 CB ILE A 17 0.502 5.320 8.488 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.027 5.669 7.059 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.255 6.146 9.535 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.411 5.240 6.754 1.00 0.00 C ATOM 0 H ILE A 17 1.776 4.562 10.464 1.00 0.00 H new ATOM 0 HA ILE A 17 2.469 4.945 7.783 1.00 0.00 H new ATOM 0 HB ILE A 17 0.277 4.271 8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.112 6.746 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.696 5.196 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.327 5.993 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.045 5.830 10.534 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.022 7.203 9.403 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.666 5.522 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.500 4.159 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.093 5.733 7.447 1.00 0.00 H new ATOM 264 N SER A 18 2.984 7.278 7.249 1.00 0.00 N ATOM 265 CA SER A 18 3.447 8.604 6.892 1.00 0.00 C ATOM 266 C SER A 18 2.255 9.532 6.673 1.00 0.00 C ATOM 267 O SER A 18 1.097 9.120 6.578 1.00 0.00 O ATOM 268 CB SER A 18 4.256 8.533 5.595 1.00 0.00 C ATOM 269 OG SER A 18 5.187 9.589 5.447 1.00 0.00 O ATOM 0 H SER A 18 3.063 6.606 6.486 1.00 0.00 H new ATOM 0 HA SER A 18 4.068 8.988 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.789 7.583 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.570 8.544 4.748 1.00 0.00 H new ATOM 0 HG SER A 18 5.670 9.483 4.601 1.00 0.00 H new ATOM 275 N GLU A 19 2.563 10.812 6.511 1.00 0.00 N ATOM 276 CA GLU A 19 1.555 11.827 6.300 1.00 0.00 C ATOM 277 C GLU A 19 1.086 11.889 4.845 1.00 0.00 C ATOM 278 O GLU A 19 -0.047 12.280 4.569 1.00 0.00 O ATOM 279 CB GLU A 19 2.138 13.201 6.624 1.00 0.00 C ATOM 280 CG GLU A 19 2.890 13.380 7.952 1.00 0.00 C ATOM 281 CD GLU A 19 4.216 14.060 7.631 1.00 0.00 C ATOM 282 OE1 GLU A 19 5.154 13.366 7.177 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.235 15.307 7.649 1.00 0.00 O ATOM 0 H GLU A 19 3.518 11.169 6.523 1.00 0.00 H new ATOM 0 HA GLU A 19 0.715 11.568 6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.819 13.471 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.320 13.922 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.306 13.984 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.058 12.416 8.432 1.00 0.00 H new ATOM 290 N HIS A 20 1.964 11.574 3.894 1.00 0.00 N ATOM 291 CA HIS A 20 1.782 11.788 2.461 1.00 0.00 C ATOM 292 C HIS A 20 2.151 10.483 1.762 1.00 0.00 C ATOM 293 O HIS A 20 2.280 9.440 2.399 1.00 0.00 O ATOM 294 CB HIS A 20 2.635 12.991 1.984 1.00 0.00 C ATOM 295 CG HIS A 20 2.792 14.144 2.960 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.941 14.464 3.678 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.812 15.035 3.314 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.654 15.529 4.451 1.00 0.00 C ATOM 299 NE2 HIS A 20 2.374 15.896 4.242 1.00 0.00 N ATOM 0 H HIS A 20 2.862 11.143 4.113 1.00 0.00 H new ATOM 0 HA HIS A 20 0.750 12.042 2.219 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.629 12.624 1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.193 13.379 1.066 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.799 15.061 2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.341 16.012 5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.898 16.678 4.692 1.00 0.00 H new ATOM 308 N PHE A 21 2.240 10.520 0.434 1.00 0.00 N ATOM 309 CA PHE A 21 2.668 9.373 -0.359 1.00 0.00 C ATOM 310 C PHE A 21 3.919 9.714 -1.162 1.00 0.00 C ATOM 311 O PHE A 21 4.828 8.904 -1.247 1.00 0.00 O ATOM 312 CB PHE A 21 1.507 8.904 -1.243 1.00 0.00 C ATOM 313 CG PHE A 21 1.919 7.899 -2.298 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.002 6.531 -1.980 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.300 8.347 -3.579 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.508 5.629 -2.931 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.769 7.440 -4.542 1.00 0.00 C ATOM 318 CZ PHE A 21 2.917 6.090 -4.194 1.00 0.00 C ATOM 0 H PHE A 21 2.017 11.346 -0.121 1.00 0.00 H new ATOM 0 HA PHE A 21 2.939 8.546 0.298 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.736 8.461 -0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.060 9.770 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.679 6.177 -1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.230 9.397 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.583 4.579 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.013 7.778 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.349 5.399 -4.902 1.00 0.00 H new ATOM 328 N GLY A 22 3.975 10.915 -1.745 1.00 0.00 N ATOM 329 CA GLY A 22 4.957 11.272 -2.764 1.00 0.00 C ATOM 330 C GLY A 22 6.283 11.794 -2.229 1.00 0.00 C ATOM 331 O GLY A 22 7.101 12.244 -3.028 1.00 0.00 O ATOM 0 H GLY A 22 3.331 11.673 -1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.152 10.395 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.522 12.030 -3.415 1.00 0.00 H new ATOM 335 N ARG A 23 6.481 11.797 -0.911 1.00 0.00 N ATOM 336 CA ARG A 23 7.788 11.890 -0.265 1.00 0.00 C ATOM 337 C ARG A 23 7.757 11.042 1.007 1.00 0.00 C ATOM 338 O ARG A 23 8.117 11.507 2.091 1.00 0.00 O ATOM 339 CB ARG A 23 8.228 13.345 -0.034 1.00 0.00 C ATOM 340 CG ARG A 23 7.216 14.261 0.679 1.00 0.00 C ATOM 341 CD ARG A 23 6.467 15.205 -0.281 1.00 0.00 C ATOM 342 NE ARG A 23 6.309 16.552 0.300 1.00 0.00 N ATOM 343 CZ ARG A 23 6.675 17.732 -0.231 1.00 0.00 C ATOM 344 NH1 ARG A 23 7.161 17.810 -1.465 1.00 0.00 N ATOM 345 NH2 ARG A 23 6.554 18.851 0.474 1.00 0.00 N ATOM 0 H ARG A 23 5.712 11.733 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 23 8.557 11.489 -0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.149 13.335 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.467 13.787 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.491 13.645 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.739 14.856 1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.012 15.275 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.486 14.789 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 23 5.867 16.593 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.262 16.965 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.433 18.715 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.182 18.818 1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.833 19.743 0.066 1.00 0.00 H new ATOM 359 N ALA A 24 7.223 9.830 0.867 1.00 0.00 N ATOM 360 CA ALA A 24 7.336 8.793 1.870 1.00 0.00 C ATOM 361 C ALA A 24 8.738 8.189 1.714 1.00 0.00 C ATOM 362 O ALA A 24 9.164 7.977 0.578 1.00 0.00 O ATOM 363 CB ALA A 24 6.273 7.721 1.619 1.00 0.00 C ATOM 0 H ALA A 24 6.695 9.545 0.042 1.00 0.00 H new ATOM 0 HA ALA A 24 7.188 9.189 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.358 6.940 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.282 8.172 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.421 7.287 0.630 1.00 0.00 H new ATOM 369 N PRO A 25 9.454 7.904 2.807 1.00 0.00 N ATOM 370 CA PRO A 25 10.745 7.229 2.741 1.00 0.00 C ATOM 371 C PRO A 25 10.633 5.729 2.420 1.00 0.00 C ATOM 372 O PRO A 25 11.589 5.161 1.895 1.00 0.00 O ATOM 373 CB PRO A 25 11.377 7.464 4.114 1.00 0.00 C ATOM 374 CG PRO A 25 10.182 7.679 5.043 1.00 0.00 C ATOM 375 CD PRO A 25 9.163 8.367 4.150 1.00 0.00 C ATOM 0 HA PRO A 25 11.350 7.627 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.977 6.610 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.037 8.332 4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.802 6.735 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.446 8.296 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.146 8.108 4.443 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.249 9.451 4.219 1.00 0.00 H new ATOM 383 N TYR A 26 9.501 5.078 2.717 1.00 0.00 N ATOM 384 CA TYR A 26 9.288 3.659 2.440 1.00 0.00 C ATOM 385 C TYR A 26 7.818 3.425 2.089 1.00 0.00 C ATOM 386 O TYR A 26 6.940 4.186 2.515 1.00 0.00 O ATOM 387 CB TYR A 26 9.656 2.780 3.655 1.00 0.00 C ATOM 388 CG TYR A 26 10.971 3.078 4.354 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.047 4.123 5.297 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.116 2.311 4.079 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.277 4.479 5.874 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.348 2.659 4.655 1.00 0.00 C ATOM 393 CZ TYR A 26 13.443 3.773 5.512 1.00 0.00 C ATOM 394 OH TYR A 26 14.647 4.150 6.012 1.00 0.00 O ATOM 0 H TYR A 26 8.701 5.530 3.161 1.00 0.00 H new ATOM 0 HA TYR A 26 9.932 3.381 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.856 2.867 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.676 1.741 3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.150 4.655 5.579 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.048 1.454 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.330 5.287 6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.227 2.070 4.440 1.00 0.00 H new ATOM 0 HH TYR A 26 15.346 3.558 5.663 1.00 0.00 H new ATOM 404 N PHE A 27 7.547 2.317 1.397 1.00 0.00 N ATOM 405 CA PHE A 27 6.219 1.781 1.118 1.00 0.00 C ATOM 406 C PHE A 27 6.197 0.376 1.693 1.00 0.00 C ATOM 407 O PHE A 27 7.009 -0.451 1.296 1.00 0.00 O ATOM 408 CB PHE A 27 5.924 1.746 -0.396 1.00 0.00 C ATOM 409 CG PHE A 27 5.791 3.107 -1.062 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.100 4.164 -0.443 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.379 3.327 -2.316 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.062 5.434 -1.040 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.331 4.590 -2.927 1.00 0.00 C ATOM 414 CZ PHE A 27 5.679 5.650 -2.281 1.00 0.00 C ATOM 0 H PHE A 27 8.288 1.742 0.997 1.00 0.00 H new ATOM 0 HA PHE A 27 5.452 2.413 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.721 1.193 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.001 1.189 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.596 3.998 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.877 2.512 -2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.556 6.248 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.794 4.744 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.652 6.629 -2.737 1.00 0.00 H new ATOM 424 N ALA A 28 5.307 0.109 2.645 1.00 0.00 N ATOM 425 CA ALA A 28 4.966 -1.244 3.034 1.00 0.00 C ATOM 426 C ALA A 28 3.882 -1.735 2.082 1.00 0.00 C ATOM 427 O ALA A 28 2.708 -1.499 2.348 1.00 0.00 O ATOM 428 CB ALA A 28 4.535 -1.279 4.506 1.00 0.00 C ATOM 0 H ALA A 28 4.805 0.829 3.165 1.00 0.00 H new ATOM 0 HA ALA A 28 5.824 -1.912 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.281 -2.301 4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.352 -0.923 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.665 -0.638 4.646 1.00 0.00 H new ATOM 434 N PHE A 29 4.258 -2.346 0.955 1.00 0.00 N ATOM 435 CA PHE A 29 3.350 -3.115 0.110 1.00 0.00 C ATOM 436 C PHE A 29 3.132 -4.475 0.777 1.00 0.00 C ATOM 437 O PHE A 29 3.851 -5.441 0.526 1.00 0.00 O ATOM 438 CB PHE A 29 3.888 -3.229 -1.328 1.00 0.00 C ATOM 439 CG PHE A 29 3.246 -2.298 -2.361 1.00 0.00 C ATOM 440 CD1 PHE A 29 1.847 -2.186 -2.515 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.059 -1.557 -3.233 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.283 -1.265 -3.408 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.493 -0.730 -4.218 1.00 0.00 C ATOM 444 CZ PHE A 29 2.108 -0.519 -4.260 1.00 0.00 C ATOM 0 H PHE A 29 5.215 -2.318 0.602 1.00 0.00 H new ATOM 0 HA PHE A 29 2.389 -2.610 0.016 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.960 -3.035 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.756 -4.258 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.198 -2.823 -1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.133 -1.623 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.212 -1.130 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.130 -0.253 -4.948 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.684 0.207 -4.938 1.00 0.00 H new ATOM 454 N VAL A 30 2.145 -4.547 1.661 1.00 0.00 N ATOM 455 CA VAL A 30 1.724 -5.771 2.328 1.00 0.00 C ATOM 456 C VAL A 30 0.849 -6.542 1.349 1.00 0.00 C ATOM 457 O VAL A 30 0.127 -5.935 0.566 1.00 0.00 O ATOM 458 CB VAL A 30 0.927 -5.391 3.599 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.656 -6.613 4.476 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.661 -4.346 4.460 1.00 0.00 C ATOM 0 H VAL A 30 1.600 -3.732 1.941 1.00 0.00 H new ATOM 0 HA VAL A 30 2.573 -6.386 2.625 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.011 -4.968 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.095 -6.309 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.077 -7.345 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.603 -7.058 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.061 -4.113 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.625 -4.746 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.817 -3.439 3.877 1.00 0.00 H new ATOM 470 N LYS A 31 0.934 -7.868 1.332 1.00 0.00 N ATOM 471 CA LYS A 31 0.193 -8.667 0.358 1.00 0.00 C ATOM 472 C LYS A 31 -1.168 -9.033 0.959 1.00 0.00 C ATOM 473 O LYS A 31 -1.568 -8.476 1.985 1.00 0.00 O ATOM 474 CB LYS A 31 1.072 -9.840 -0.111 1.00 0.00 C ATOM 475 CG LYS A 31 2.392 -9.314 -0.707 1.00 0.00 C ATOM 476 CD LYS A 31 3.261 -10.371 -1.410 1.00 0.00 C ATOM 477 CE LYS A 31 2.702 -10.789 -2.777 1.00 0.00 C ATOM 478 NZ LYS A 31 3.627 -11.669 -3.528 1.00 0.00 N ATOM 0 H LYS A 31 1.506 -8.412 1.978 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.037 -8.117 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.283 -10.504 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.537 -10.429 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.160 -8.524 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.977 -8.859 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.269 -9.977 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.342 -11.251 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.752 -11.304 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.495 -9.897 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.201 -11.921 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.525 -11.171 -3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.805 -12.534 -2.979 1.00 0.00 H new ATOM 492 N VAL A 32 -1.902 -9.942 0.321 1.00 0.00 N ATOM 493 CA VAL A 32 -3.000 -10.659 0.947 1.00 0.00 C ATOM 494 C VAL A 32 -2.937 -12.094 0.437 1.00 0.00 C ATOM 495 O VAL A 32 -2.586 -12.343 -0.719 1.00 0.00 O ATOM 496 CB VAL A 32 -4.378 -10.002 0.665 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.574 -10.743 1.290 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.473 -8.556 1.173 1.00 0.00 C ATOM 0 H VAL A 32 -1.746 -10.201 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.896 -10.631 2.032 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.436 -10.046 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.497 -10.217 1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.619 -11.758 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.454 -10.779 2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.460 -8.154 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.314 -8.538 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.712 -7.948 0.684 1.00 0.00 H new ATOM 508 N LYS A 33 -3.294 -13.028 1.312 1.00 0.00 N ATOM 509 CA LYS A 33 -3.494 -14.449 1.077 1.00 0.00 C ATOM 510 C LYS A 33 -4.682 -14.798 1.950 1.00 0.00 C ATOM 511 O LYS A 33 -4.627 -14.480 3.135 1.00 0.00 O ATOM 512 CB LYS A 33 -2.240 -15.223 1.520 1.00 0.00 C ATOM 513 CG LYS A 33 -2.398 -16.754 1.567 1.00 0.00 C ATOM 514 CD LYS A 33 -2.017 -17.337 2.938 1.00 0.00 C ATOM 515 CE LYS A 33 -2.984 -16.857 4.025 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.552 -17.218 5.386 1.00 0.00 N ATOM 0 H LYS A 33 -3.465 -12.786 2.288 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.666 -14.698 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.423 -14.979 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.947 -14.873 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.430 -17.018 1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.774 -17.206 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.029 -18.426 2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.000 -17.040 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.087 -15.774 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.970 -17.283 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.246 -16.866 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.480 -18.253 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.624 -16.791 5.580 1.00 0.00 H new ATOM 530 N ASN A 34 -5.716 -15.449 1.414 1.00 0.00 N ATOM 531 CA ASN A 34 -6.906 -15.885 2.160 1.00 0.00 C ATOM 532 C ASN A 34 -7.335 -14.860 3.227 1.00 0.00 C ATOM 533 O ASN A 34 -7.307 -15.133 4.424 1.00 0.00 O ATOM 534 CB ASN A 34 -6.716 -17.314 2.718 1.00 0.00 C ATOM 535 CG ASN A 34 -7.420 -18.357 1.867 1.00 0.00 C ATOM 536 OD1 ASN A 34 -8.626 -18.262 1.660 1.00 0.00 O ATOM 537 ND2 ASN A 34 -6.702 -19.341 1.361 1.00 0.00 N ATOM 0 H ASN A 34 -5.753 -15.695 0.425 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.742 -15.933 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.652 -17.545 2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.100 -17.359 3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.148 -20.051 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.701 -19.392 1.551 1.00 0.00 H new ATOM 544 N ASN A 35 -7.675 -13.648 2.777 1.00 0.00 N ATOM 545 CA ASN A 35 -8.096 -12.477 3.573 1.00 0.00 C ATOM 546 C ASN A 35 -7.167 -12.059 4.722 1.00 0.00 C ATOM 547 O ASN A 35 -7.560 -11.262 5.574 1.00 0.00 O ATOM 548 CB ASN A 35 -9.546 -12.627 4.089 1.00 0.00 C ATOM 549 CG ASN A 35 -10.392 -11.387 3.798 1.00 0.00 C ATOM 550 OD1 ASN A 35 -9.875 -10.284 3.648 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.694 -11.527 3.615 1.00 0.00 N ATOM 0 H ASN A 35 -7.665 -13.439 1.779 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.033 -11.660 2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.008 -13.498 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.531 -12.811 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.261 -10.722 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.131 -12.440 3.738 1.00 0.00 H new ATOM 558 N ALA A 36 -5.936 -12.555 4.764 1.00 0.00 N ATOM 559 CA ALA A 36 -4.935 -12.217 5.760 1.00 0.00 C ATOM 560 C ALA A 36 -3.720 -11.625 5.053 1.00 0.00 C ATOM 561 O ALA A 36 -3.635 -11.686 3.831 1.00 0.00 O ATOM 562 CB ALA A 36 -4.548 -13.474 6.531 1.00 0.00 C ATOM 0 H ALA A 36 -5.598 -13.229 4.077 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.330 -11.485 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.796 -13.224 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.429 -13.884 7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.141 -14.213 5.841 1.00 0.00 H new ATOM 568 N ILE A 37 -2.754 -11.102 5.807 1.00 0.00 N ATOM 569 CA ILE A 37 -1.659 -10.262 5.326 1.00 0.00 C ATOM 570 C ILE A 37 -0.754 -10.965 4.317 1.00 0.00 C ATOM 571 O ILE A 37 -0.106 -10.301 3.519 1.00 0.00 O ATOM 572 CB ILE A 37 -0.902 -9.723 6.577 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.480 -8.347 6.969 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.633 -9.640 6.463 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.873 -8.437 7.609 1.00 0.00 C ATOM 0 H ILE A 37 -2.712 -11.259 6.814 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.059 -9.425 4.754 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.071 -10.470 7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.798 -7.858 7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.535 -7.717 6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.046 -9.251 7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.038 -10.634 6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.901 -8.976 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.223 -7.436 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.567 -8.898 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.819 -9.041 8.514 1.00 0.00 H new ATOM 587 N ALA A 38 -0.711 -12.296 4.316 1.00 0.00 N ATOM 588 CA ALA A 38 0.324 -13.110 3.697 1.00 0.00 C ATOM 589 C ALA A 38 1.733 -12.744 4.175 1.00 0.00 C ATOM 590 O ALA A 38 2.344 -13.515 4.912 1.00 0.00 O ATOM 591 CB ALA A 38 0.219 -13.067 2.170 1.00 0.00 C ATOM 0 H ALA A 38 -1.432 -12.859 4.768 1.00 0.00 H new ATOM 0 HA ALA A 38 0.151 -14.137 4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.005 -13.684 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.755 -13.447 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.332 -12.039 1.826 1.00 0.00 H new ATOM 597 N ASP A 39 2.244 -11.607 3.719 1.00 0.00 N ATOM 598 CA ASP A 39 3.646 -11.246 3.538 1.00 0.00 C ATOM 599 C ASP A 39 3.763 -9.736 3.717 1.00 0.00 C ATOM 600 O ASP A 39 2.809 -8.997 3.460 1.00 0.00 O ATOM 601 CB ASP A 39 4.087 -11.576 2.092 1.00 0.00 C ATOM 602 CG ASP A 39 5.217 -12.594 1.972 1.00 0.00 C ATOM 603 OD1 ASP A 39 5.147 -13.650 2.640 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.102 -12.392 1.109 1.00 0.00 O ATOM 0 H ASP A 39 1.630 -10.842 3.440 1.00 0.00 H new ATOM 0 HA ASP A 39 4.263 -11.791 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.223 -11.950 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.399 -10.652 1.605 1.00 0.00 H new ATOM 609 N ILE A 40 4.959 -9.273 4.063 1.00 0.00 N ATOM 610 CA ILE A 40 5.318 -7.861 4.162 1.00 0.00 C ATOM 611 C ILE A 40 6.277 -7.563 2.999 1.00 0.00 C ATOM 612 O ILE A 40 6.982 -8.455 2.515 1.00 0.00 O ATOM 613 CB ILE A 40 5.936 -7.591 5.566 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.919 -7.783 6.722 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.613 -6.214 5.703 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.882 -6.658 6.892 1.00 0.00 C ATOM 0 H ILE A 40 5.736 -9.894 4.291 1.00 0.00 H new ATOM 0 HA ILE A 40 4.459 -7.196 4.077 1.00 0.00 H new ATOM 0 HB ILE A 40 6.714 -8.349 5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.387 -8.721 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.473 -7.886 7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.017 -6.106 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.422 -6.132 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.880 -5.428 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.222 -6.894 7.727 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.395 -5.717 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.293 -6.565 5.980 1.00 0.00 H new ATOM 628 N SER A 41 6.309 -6.306 2.560 1.00 0.00 N ATOM 629 CA SER A 41 7.348 -5.719 1.725 1.00 0.00 C ATOM 630 C SER A 41 7.493 -4.277 2.178 1.00 0.00 C ATOM 631 O SER A 41 6.884 -3.390 1.591 1.00 0.00 O ATOM 632 CB SER A 41 6.983 -5.862 0.235 1.00 0.00 C ATOM 633 OG SER A 41 7.918 -6.677 -0.444 1.00 0.00 O ATOM 0 H SER A 41 5.573 -5.639 2.790 1.00 0.00 H new ATOM 0 HA SER A 41 8.306 -6.228 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.986 -6.292 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.950 -4.877 -0.230 1.00 0.00 H new ATOM 0 HG SER A 41 8.348 -6.158 -1.155 1.00 0.00 H new ATOM 639 N VAL A 42 8.227 -4.048 3.272 1.00 0.00 N ATOM 640 CA VAL A 42 8.666 -2.711 3.646 1.00 0.00 C ATOM 641 C VAL A 42 9.850 -2.402 2.731 1.00 0.00 C ATOM 642 O VAL A 42 10.940 -2.946 2.886 1.00 0.00 O ATOM 643 CB VAL A 42 8.905 -2.597 5.169 1.00 0.00 C ATOM 644 CG1 VAL A 42 10.051 -3.453 5.724 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.103 -1.136 5.596 1.00 0.00 C ATOM 0 H VAL A 42 8.528 -4.781 3.914 1.00 0.00 H new ATOM 0 HA VAL A 42 7.912 -1.940 3.490 1.00 0.00 H new ATOM 0 HB VAL A 42 7.992 -3.002 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.133 -3.298 6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.850 -4.505 5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.986 -3.164 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.269 -1.091 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.967 -0.719 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.214 -0.559 5.341 1.00 0.00 H new ATOM 655 N GLU A 43 9.585 -1.648 1.677 1.00 0.00 N ATOM 656 CA GLU A 43 10.519 -1.376 0.596 1.00 0.00 C ATOM 657 C GLU A 43 10.888 0.103 0.625 1.00 0.00 C ATOM 658 O GLU A 43 10.019 0.970 0.757 1.00 0.00 O ATOM 659 CB GLU A 43 9.849 -1.775 -0.719 1.00 0.00 C ATOM 660 CG GLU A 43 9.775 -3.309 -0.833 1.00 0.00 C ATOM 661 CD GLU A 43 8.777 -3.815 -1.872 1.00 0.00 C ATOM 662 OE1 GLU A 43 7.872 -3.063 -2.287 1.00 0.00 O ATOM 663 OE2 GLU A 43 8.908 -4.993 -2.294 1.00 0.00 O ATOM 0 H GLU A 43 8.682 -1.192 1.546 1.00 0.00 H new ATOM 0 HA GLU A 43 11.440 -1.949 0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.846 -1.350 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.410 -1.367 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.765 -3.691 -1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.509 -3.721 0.140 1.00 0.00 H new ATOM 670 N GLU A 44 12.182 0.387 0.524 1.00 0.00 N ATOM 671 CA GLU A 44 12.758 1.723 0.534 1.00 0.00 C ATOM 672 C GLU A 44 12.373 2.454 -0.744 1.00 0.00 C ATOM 673 O GLU A 44 12.454 1.878 -1.827 1.00 0.00 O ATOM 674 CB GLU A 44 14.286 1.609 0.579 1.00 0.00 C ATOM 675 CG GLU A 44 14.837 0.906 1.826 1.00 0.00 C ATOM 676 CD GLU A 44 16.163 0.195 1.555 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.175 -0.824 0.833 1.00 0.00 O ATOM 678 OE2 GLU A 44 17.216 0.656 2.060 1.00 0.00 O ATOM 0 H GLU A 44 12.888 -0.343 0.429 1.00 0.00 H new ATOM 0 HA GLU A 44 12.388 2.268 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.623 1.069 -0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.714 2.610 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.976 1.638 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.106 0.181 2.184 1.00 0.00 H new ATOM 685 N ASN A 45 12.009 3.727 -0.622 1.00 0.00 N ATOM 686 CA ASN A 45 11.480 4.537 -1.718 1.00 0.00 C ATOM 687 C ASN A 45 12.627 5.077 -2.586 1.00 0.00 C ATOM 688 O ASN A 45 13.234 6.084 -2.197 1.00 0.00 O ATOM 689 CB ASN A 45 10.631 5.694 -1.157 1.00 0.00 C ATOM 690 CG ASN A 45 9.889 6.461 -2.238 1.00 0.00 C ATOM 691 OD1 ASN A 45 8.672 6.568 -2.274 1.00 0.00 O ATOM 692 ND2 ASN A 45 10.608 7.080 -3.147 1.00 0.00 N ATOM 0 H ASN A 45 12.074 4.236 0.259 1.00 0.00 H new ATOM 0 HA ASN A 45 10.844 3.911 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.911 5.296 -0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.277 6.380 -0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.149 7.638 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.625 7.002 -3.133 1.00 0.00 H new ATOM 699 N PRO A 46 12.878 4.547 -3.799 1.00 0.00 N ATOM 700 CA PRO A 46 14.068 4.899 -4.573 1.00 0.00 C ATOM 701 C PRO A 46 14.111 6.358 -5.057 1.00 0.00 C ATOM 702 O PRO A 46 15.175 6.833 -5.454 1.00 0.00 O ATOM 703 CB PRO A 46 14.110 3.900 -5.735 1.00 0.00 C ATOM 704 CG PRO A 46 12.662 3.440 -5.909 1.00 0.00 C ATOM 705 CD PRO A 46 12.083 3.545 -4.504 1.00 0.00 C ATOM 0 HA PRO A 46 14.952 4.833 -3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.488 4.367 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.767 3.060 -5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.122 4.072 -6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.608 2.420 -6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.033 3.837 -4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.130 2.583 -3.993 1.00 0.00 H new ATOM 713 N LEU A 47 12.994 7.099 -5.019 1.00 0.00 N ATOM 714 CA LEU A 47 12.936 8.495 -5.451 1.00 0.00 C ATOM 715 C LEU A 47 12.314 9.395 -4.362 1.00 0.00 C ATOM 716 O LEU A 47 11.553 10.305 -4.705 1.00 0.00 O ATOM 717 CB LEU A 47 12.038 8.592 -6.712 1.00 0.00 C ATOM 718 CG LEU A 47 12.320 7.877 -8.036 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.685 8.250 -8.588 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.131 6.367 -8.010 1.00 0.00 C ATOM 0 H LEU A 47 12.100 6.739 -4.684 1.00 0.00 H new ATOM 0 HA LEU A 47 13.954 8.829 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.045 8.269 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.968 9.653 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 47 11.548 8.242 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.853 7.725 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.726 9.325 -8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.457 7.968 -7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.355 5.955 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.803 5.929 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.100 6.134 -7.745 1.00 0.00 H new ATOM 732 N ALA A 48 12.591 9.198 -3.064 1.00 0.00 N ATOM 733 CA ALA A 48 11.806 9.809 -1.989 1.00 0.00 C ATOM 734 C ALA A 48 11.788 11.326 -2.096 1.00 0.00 C ATOM 735 O ALA A 48 10.749 11.943 -1.846 1.00 0.00 O ATOM 736 CB ALA A 48 12.346 9.393 -0.625 1.00 0.00 C ATOM 0 H ALA A 48 13.360 8.615 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 48 10.782 9.451 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.749 9.858 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.292 8.309 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.383 9.715 -0.531 1.00 0.00 H new ATOM 742 N GLN A 49 12.886 11.939 -2.543 1.00 0.00 N ATOM 743 CA GLN A 49 12.908 13.369 -2.771 1.00 0.00 C ATOM 744 C GLN A 49 13.774 13.771 -3.968 1.00 0.00 C ATOM 745 O GLN A 49 14.215 14.921 -4.036 1.00 0.00 O ATOM 746 CB GLN A 49 13.304 14.076 -1.460 1.00 0.00 C ATOM 747 CG GLN A 49 12.528 15.385 -1.276 1.00 0.00 C ATOM 748 CD GLN A 49 13.005 16.203 -0.081 1.00 0.00 C ATOM 749 OE1 GLN A 49 12.989 17.431 -0.122 1.00 0.00 O ATOM 750 NE2 GLN A 49 13.364 15.573 1.021 1.00 0.00 N ATOM 0 H GLN A 49 13.763 11.462 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 49 11.908 13.699 -3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.111 13.415 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.374 14.283 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.622 15.986 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.469 15.158 -1.153 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.374 14.553 1.045 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.631 16.106 1.849 1.00 0.00 H new ATOM 759 N ASP A 50 14.025 12.865 -4.916 1.00 0.00 N ATOM 760 CA ASP A 50 15.105 13.040 -5.887 1.00 0.00 C ATOM 761 C ASP A 50 14.547 13.122 -7.300 1.00 0.00 C ATOM 762 O ASP A 50 13.725 12.285 -7.686 1.00 0.00 O ATOM 763 CB ASP A 50 16.139 11.922 -5.768 1.00 0.00 C ATOM 764 CG ASP A 50 17.438 12.424 -6.385 1.00 0.00 C ATOM 765 OD1 ASP A 50 17.587 12.384 -7.626 1.00 0.00 O ATOM 766 OD2 ASP A 50 18.276 12.976 -5.637 1.00 0.00 O ATOM 0 H ASP A 50 13.494 12.002 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 50 15.610 13.981 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.291 11.652 -4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.793 11.025 -6.282 1.00 0.00 H new ATOM 771 N HIS A 51 14.949 14.153 -8.053 1.00 0.00 N ATOM 772 CA HIS A 51 14.421 14.606 -9.343 1.00 0.00 C ATOM 773 C HIS A 51 12.953 15.030 -9.301 1.00 0.00 C ATOM 774 O HIS A 51 12.596 16.009 -9.951 1.00 0.00 O ATOM 775 CB HIS A 51 14.672 13.570 -10.449 1.00 0.00 C ATOM 776 CG HIS A 51 16.119 13.362 -10.821 1.00 0.00 C ATOM 777 ND1 HIS A 51 16.658 12.166 -11.247 1.00 0.00 N ATOM 778 CD2 HIS A 51 17.114 14.304 -10.835 1.00 0.00 C ATOM 779 CE1 HIS A 51 17.953 12.383 -11.534 1.00 0.00 C ATOM 780 NE2 HIS A 51 18.252 13.670 -11.289 1.00 0.00 N ATOM 0 H HIS A 51 15.722 14.744 -7.746 1.00 0.00 H new ATOM 0 HA HIS A 51 14.980 15.510 -9.583 1.00 0.00 H new ATOM 0 HB2 HIS A 51 14.255 12.615 -10.131 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.125 13.875 -11.341 1.00 0.00 H new ATOM 0 HD2 HIS A 51 17.025 15.341 -10.547 1.00 0.00 H new ATOM 0 HE1 HIS A 51 18.644 11.640 -11.903 1.00 0.00 H new ATOM 0 HE2 HIS A 51 19.166 14.105 -11.417 1.00 0.00 H new ATOM 789 N VAL A 52 12.091 14.318 -8.575 1.00 0.00 N ATOM 790 CA VAL A 52 10.695 14.665 -8.319 1.00 0.00 C ATOM 791 C VAL A 52 9.905 14.851 -9.637 1.00 0.00 C ATOM 792 O VAL A 52 8.876 15.523 -9.676 1.00 0.00 O ATOM 793 CB VAL A 52 10.629 15.820 -7.284 1.00 0.00 C ATOM 794 CG1 VAL A 52 9.229 15.990 -6.668 1.00 0.00 C ATOM 795 CG2 VAL A 52 11.592 15.560 -6.105 1.00 0.00 C ATOM 0 H VAL A 52 12.361 13.442 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 52 10.165 13.839 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 52 10.902 16.717 -7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.244 16.812 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.509 16.208 -7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.942 15.070 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.527 16.383 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.317 14.629 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.613 15.483 -6.479 1.00 0.00 H new ATOM 805 N HIS A 53 10.365 14.229 -10.735 1.00 0.00 N ATOM 806 CA HIS A 53 9.706 14.297 -12.034 1.00 0.00 C ATOM 807 C HIS A 53 8.338 13.632 -11.907 1.00 0.00 C ATOM 808 O HIS A 53 7.307 14.303 -11.895 1.00 0.00 O ATOM 809 CB HIS A 53 10.586 13.673 -13.138 1.00 0.00 C ATOM 810 CG HIS A 53 10.105 14.041 -14.522 1.00 0.00 C ATOM 811 ND1 HIS A 53 9.391 13.238 -15.402 1.00 0.00 N ATOM 812 CD2 HIS A 53 10.331 15.247 -15.127 1.00 0.00 C ATOM 813 CE1 HIS A 53 9.157 13.978 -16.508 1.00 0.00 C ATOM 814 NE2 HIS A 53 9.743 15.185 -16.374 1.00 0.00 N ATOM 0 H HIS A 53 11.213 13.662 -10.738 1.00 0.00 H new ATOM 0 HA HIS A 53 9.559 15.334 -12.337 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.616 14.006 -13.012 1.00 0.00 H new ATOM 0 HB3 HIS A 53 10.587 12.588 -13.031 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.867 16.086 -14.709 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.588 13.653 -17.367 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.750 15.926 -17.075 1.00 0.00 H new ATOM 823 N GLY A 54 8.332 12.313 -11.756 1.00 0.00 N ATOM 824 CA GLY A 54 7.135 11.500 -11.649 1.00 0.00 C ATOM 825 C GLY A 54 7.538 10.035 -11.666 1.00 0.00 C ATOM 826 O GLY A 54 6.916 9.243 -12.369 1.00 0.00 O ATOM 0 H GLY A 54 9.191 11.765 -11.703 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.600 11.734 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.457 11.715 -12.475 1.00 0.00 H new ATOM 830 N ALA A 55 8.621 9.679 -10.966 1.00 0.00 N ATOM 831 CA ALA A 55 9.179 8.333 -10.986 1.00 0.00 C ATOM 832 C ALA A 55 8.927 7.576 -9.680 1.00 0.00 C ATOM 833 O ALA A 55 9.000 6.352 -9.702 1.00 0.00 O ATOM 834 CB ALA A 55 10.661 8.397 -11.350 1.00 0.00 C ATOM 0 H ALA A 55 9.135 10.326 -10.367 1.00 0.00 H new ATOM 0 HA ALA A 55 8.663 7.758 -11.754 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.076 7.389 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.775 8.850 -12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.192 8.997 -10.611 1.00 0.00 H new ATOM 840 N VAL A 56 8.521 8.246 -8.588 1.00 0.00 N ATOM 841 CA VAL A 56 8.011 7.555 -7.399 1.00 0.00 C ATOM 842 C VAL A 56 6.920 6.537 -7.807 1.00 0.00 C ATOM 843 O VAL A 56 7.021 5.372 -7.426 1.00 0.00 O ATOM 844 CB VAL A 56 7.470 8.565 -6.345 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.269 8.090 -5.508 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.570 9.015 -5.392 1.00 0.00 C ATOM 0 H VAL A 56 8.537 9.263 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 56 8.836 7.015 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 56 7.109 9.390 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.980 8.875 -4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.431 7.865 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.544 7.193 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.159 9.720 -4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.973 8.149 -4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.366 9.499 -5.958 1.00 0.00 H new ATOM 856 N PRO A 57 5.866 6.931 -8.559 1.00 0.00 N ATOM 857 CA PRO A 57 4.803 6.004 -8.917 1.00 0.00 C ATOM 858 C PRO A 57 5.259 4.992 -9.969 1.00 0.00 C ATOM 859 O PRO A 57 4.670 3.920 -10.089 1.00 0.00 O ATOM 860 CB PRO A 57 3.672 6.873 -9.449 1.00 0.00 C ATOM 861 CG PRO A 57 4.290 8.195 -9.886 1.00 0.00 C ATOM 862 CD PRO A 57 5.661 8.217 -9.221 1.00 0.00 C ATOM 0 HA PRO A 57 4.493 5.411 -8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.173 6.386 -10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.917 7.036 -8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.375 8.253 -10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.681 9.041 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.441 8.392 -9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.720 9.031 -8.498 1.00 0.00 H new ATOM 870 N ASN A 58 6.288 5.329 -10.747 1.00 0.00 N ATOM 871 CA ASN A 58 6.760 4.494 -11.840 1.00 0.00 C ATOM 872 C ASN A 58 7.499 3.263 -11.326 1.00 0.00 C ATOM 873 O ASN A 58 7.551 2.241 -12.004 1.00 0.00 O ATOM 874 CB ASN A 58 7.642 5.328 -12.770 1.00 0.00 C ATOM 875 CG ASN A 58 7.683 4.704 -14.150 1.00 0.00 C ATOM 876 OD1 ASN A 58 6.648 4.371 -14.718 1.00 0.00 O ATOM 877 ND2 ASN A 58 8.845 4.603 -14.749 1.00 0.00 N ATOM 0 H ASN A 58 6.817 6.194 -10.632 1.00 0.00 H new ATOM 0 HA ASN A 58 5.900 4.129 -12.401 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.256 6.345 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.651 5.395 -12.363 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.898 4.243 -15.702 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.696 4.884 -14.262 1.00 0.00 H new ATOM 884 N PHE A 59 8.042 3.354 -10.112 1.00 0.00 N ATOM 885 CA PHE A 59 8.458 2.218 -9.314 1.00 0.00 C ATOM 886 C PHE A 59 7.228 1.433 -8.866 1.00 0.00 C ATOM 887 O PHE A 59 7.054 0.315 -9.326 1.00 0.00 O ATOM 888 CB PHE A 59 9.336 2.728 -8.161 1.00 0.00 C ATOM 889 CG PHE A 59 9.440 1.815 -6.961 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.115 0.583 -7.054 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.867 2.211 -5.738 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.234 -0.238 -5.918 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.004 1.389 -4.609 1.00 0.00 C ATOM 894 CZ PHE A 59 9.683 0.166 -4.693 1.00 0.00 C ATOM 0 H PHE A 59 8.206 4.249 -9.650 1.00 0.00 H new ATOM 0 HA PHE A 59 9.065 1.518 -9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.340 2.907 -8.546 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.945 3.690 -7.829 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.541 0.269 -7.996 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.325 3.142 -5.669 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.752 -1.183 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.582 1.702 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.781 -0.462 -3.820 1.00 0.00 H new ATOM 904 N VAL A 60 6.345 1.971 -8.022 1.00 0.00 N ATOM 905 CA VAL A 60 5.276 1.150 -7.435 1.00 0.00 C ATOM 906 C VAL A 60 4.336 0.483 -8.453 1.00 0.00 C ATOM 907 O VAL A 60 3.800 -0.576 -8.154 1.00 0.00 O ATOM 908 CB VAL A 60 4.480 1.935 -6.386 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.274 2.078 -5.079 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.097 3.337 -6.821 1.00 0.00 C ATOM 0 H VAL A 60 6.344 2.949 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 60 5.798 0.326 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 60 3.571 1.349 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.684 2.639 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.496 1.089 -4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.206 2.608 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.537 3.825 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.999 3.911 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.480 3.284 -7.718 1.00 0.00 H new ATOM 920 N LYS A 61 4.171 1.039 -9.655 1.00 0.00 N ATOM 921 CA LYS A 61 3.395 0.418 -10.739 1.00 0.00 C ATOM 922 C LYS A 61 4.021 -0.876 -11.272 1.00 0.00 C ATOM 923 O LYS A 61 3.411 -1.570 -12.082 1.00 0.00 O ATOM 924 CB LYS A 61 3.209 1.428 -11.883 1.00 0.00 C ATOM 925 CG LYS A 61 2.000 1.112 -12.787 1.00 0.00 C ATOM 926 CD LYS A 61 2.315 1.234 -14.282 1.00 0.00 C ATOM 927 CE LYS A 61 3.022 -0.046 -14.732 1.00 0.00 C ATOM 928 NZ LYS A 61 3.489 0.009 -16.129 1.00 0.00 N ATOM 0 H LYS A 61 4.574 1.941 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 61 2.429 0.139 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.087 2.426 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.113 1.448 -12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.652 0.101 -12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.182 1.788 -12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.398 1.381 -14.852 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.948 2.102 -14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.874 -0.232 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.341 -0.889 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.959 -0.886 -16.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.677 0.158 -16.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.162 0.794 -16.239 1.00 0.00 H new ATOM 942 N GLU A 62 5.251 -1.192 -10.887 1.00 0.00 N ATOM 943 CA GLU A 62 5.890 -2.472 -11.171 1.00 0.00 C ATOM 944 C GLU A 62 5.603 -3.500 -10.062 1.00 0.00 C ATOM 945 O GLU A 62 5.794 -4.701 -10.265 1.00 0.00 O ATOM 946 CB GLU A 62 7.395 -2.245 -11.429 1.00 0.00 C ATOM 947 CG GLU A 62 8.315 -2.197 -10.196 1.00 0.00 C ATOM 948 CD GLU A 62 9.287 -3.365 -10.167 1.00 0.00 C ATOM 949 OE1 GLU A 62 10.330 -3.265 -10.848 1.00 0.00 O ATOM 950 OE2 GLU A 62 9.022 -4.390 -9.499 1.00 0.00 O ATOM 0 H GLU A 62 5.845 -0.553 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 62 5.466 -2.904 -12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.750 -3.039 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.508 -1.307 -11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.873 -1.261 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.709 -2.207 -9.290 1.00 0.00 H new ATOM 957 N LYS A 63 5.140 -3.058 -8.882 1.00 0.00 N ATOM 958 CA LYS A 63 5.102 -3.894 -7.679 1.00 0.00 C ATOM 959 C LYS A 63 3.751 -4.601 -7.503 1.00 0.00 C ATOM 960 O LYS A 63 3.368 -4.900 -6.369 1.00 0.00 O ATOM 961 CB LYS A 63 5.384 -2.996 -6.453 1.00 0.00 C ATOM 962 CG LYS A 63 6.684 -2.176 -6.533 1.00 0.00 C ATOM 963 CD LYS A 63 7.963 -3.019 -6.525 1.00 0.00 C ATOM 964 CE LYS A 63 8.204 -3.501 -5.097 1.00 0.00 C ATOM 965 NZ LYS A 63 9.423 -4.309 -4.921 1.00 0.00 N ATOM 0 H LYS A 63 4.783 -2.113 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 63 5.859 -4.672 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.547 -2.310 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.422 -3.624 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.665 -1.575 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.715 -1.483 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.864 -3.868 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.810 -2.429 -6.876 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.260 -2.634 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.344 -4.089 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.361 -4.841 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.517 -4.974 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.253 -3.683 -4.894 1.00 0.00 H new ATOM 979 N GLY A 64 3.129 -5.027 -8.605 1.00 0.00 N ATOM 980 CA GLY A 64 1.912 -5.838 -8.639 1.00 0.00 C ATOM 981 C GLY A 64 0.781 -5.324 -7.741 1.00 0.00 C ATOM 982 O GLY A 64 -0.001 -6.128 -7.225 1.00 0.00 O ATOM 0 H GLY A 64 3.476 -4.806 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.550 -5.885 -9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.161 -6.857 -8.342 1.00 0.00 H new ATOM 986 N ALA A 65 0.697 -4.012 -7.498 1.00 0.00 N ATOM 987 CA ALA A 65 -0.240 -3.461 -6.538 1.00 0.00 C ATOM 988 C ALA A 65 -1.697 -3.611 -6.979 1.00 0.00 C ATOM 989 O ALA A 65 -1.994 -3.849 -8.148 1.00 0.00 O ATOM 990 CB ALA A 65 0.116 -2.007 -6.280 1.00 0.00 C ATOM 0 H ALA A 65 1.277 -3.313 -7.963 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.155 -4.030 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.583 -1.584 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.129 -1.945 -5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.058 -1.447 -7.213 1.00 0.00 H new ATOM 996 N GLU A 66 -2.615 -3.431 -6.029 1.00 0.00 N ATOM 997 CA GLU A 66 -4.061 -3.554 -6.239 1.00 0.00 C ATOM 998 C GLU A 66 -4.825 -2.573 -5.349 1.00 0.00 C ATOM 999 O GLU A 66 -5.841 -2.021 -5.776 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.495 -4.991 -5.923 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.752 -5.827 -7.176 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.807 -7.314 -6.814 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -5.866 -7.830 -6.381 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -3.749 -7.980 -6.831 1.00 0.00 O ATOM 0 H GLU A 66 -2.370 -3.190 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.288 -3.318 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.724 -5.474 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.401 -4.966 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.690 -5.523 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.963 -5.652 -7.908 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.335 -2.338 -4.129 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.865 -1.370 -3.179 1.00 0.00 C ATOM 1013 C LEU A 67 -3.712 -0.496 -2.686 1.00 0.00 C ATOM 1014 O LEU A 67 -2.557 -0.933 -2.637 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.534 -2.124 -2.004 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.401 -1.241 -1.086 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.623 -0.729 -1.847 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.851 -2.042 0.135 1.00 0.00 C ATOM 0 H LEU A 67 -3.525 -2.840 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.616 -0.735 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.154 -2.924 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.757 -2.597 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.807 -0.389 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.228 -0.106 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.297 -0.140 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.217 -1.575 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.463 -1.411 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.435 -2.903 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.976 -2.384 0.688 1.00 0.00 H new ATOM 1030 N VAL A 68 -4.020 0.717 -2.241 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.126 1.516 -1.416 1.00 0.00 C ATOM 1032 C VAL A 68 -3.982 2.144 -0.320 1.00 0.00 C ATOM 1033 O VAL A 68 -5.144 2.472 -0.562 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.395 2.579 -2.263 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.243 3.204 -1.470 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -1.793 2.031 -3.561 1.00 0.00 C ATOM 0 H VAL A 68 -4.907 1.177 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.343 0.901 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.164 3.310 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.741 3.951 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.636 3.679 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.532 2.428 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.297 2.837 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.068 1.252 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.586 1.613 -4.182 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.409 2.333 0.865 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.005 2.984 2.016 1.00 0.00 C ATOM 1048 C ILE A 69 -3.023 4.093 2.401 1.00 0.00 C ATOM 1049 O ILE A 69 -1.880 3.807 2.752 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.232 1.958 3.153 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.216 0.828 2.767 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.718 2.699 4.407 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.278 -0.302 3.809 1.00 0.00 C ATOM 0 H ILE A 69 -2.458 2.015 1.053 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.989 3.404 1.807 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.279 1.467 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.213 1.251 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.921 0.410 1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.880 1.983 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.967 3.426 4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.653 3.214 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.986 -1.063 3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.290 -0.749 3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.602 0.104 4.767 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.433 5.357 2.297 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.576 6.509 2.587 1.00 0.00 C ATOM 1067 C VAL A 70 -3.255 7.430 3.600 1.00 0.00 C ATOM 1068 O VAL A 70 -4.425 7.238 3.938 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.199 7.244 1.280 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.630 6.299 0.219 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.394 7.990 0.670 1.00 0.00 C ATOM 0 H VAL A 70 -4.377 5.613 2.007 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.646 6.164 3.038 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.431 7.961 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.382 6.866 -0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.731 5.818 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.371 5.538 -0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.081 8.491 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.189 7.279 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.762 8.730 1.381 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.544 8.471 4.044 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.099 9.500 4.915 1.00 0.00 C ATOM 1083 C ARG A 71 -3.463 10.737 4.092 1.00 0.00 C ATOM 1084 O ARG A 71 -4.651 11.006 3.920 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.140 9.728 6.095 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.801 10.497 7.249 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.342 10.003 8.634 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.479 10.021 9.562 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.907 10.981 10.385 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -3.222 12.109 10.522 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -5.031 10.793 11.065 1.00 0.00 N ATOM 0 H ARG A 71 -1.563 8.620 3.806 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.041 9.191 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.784 8.765 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.266 10.280 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.571 11.558 7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.884 10.398 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.938 8.993 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.541 10.638 9.011 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.030 9.163 9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.360 12.249 9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.558 12.836 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.555 9.925 10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.371 11.517 11.698 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.485 11.458 3.532 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.671 12.718 2.807 1.00 0.00 C ATOM 1107 C GLY A 72 -1.832 12.790 1.532 1.00 0.00 C ATOM 1108 O GLY A 72 -0.892 13.580 1.426 1.00 0.00 O ATOM 0 H GLY A 72 -1.508 11.169 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.724 12.834 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.407 13.551 3.459 1.00 0.00 H new ATOM 1112 N ILE A 73 -2.180 11.947 0.560 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.688 11.911 -0.824 1.00 0.00 C ATOM 1114 C ILE A 73 -2.063 13.194 -1.611 1.00 0.00 C ATOM 1115 O ILE A 73 -2.632 14.120 -1.035 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.278 10.619 -1.455 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.731 10.247 -2.845 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.822 10.659 -1.530 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.813 8.749 -3.139 1.00 0.00 C ATOM 0 H ILE A 73 -2.867 11.212 0.730 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.599 11.888 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.945 9.842 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.289 10.792 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.692 10.570 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.189 9.735 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.232 10.763 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.135 11.507 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.412 8.551 -4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.232 8.200 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.853 8.426 -3.096 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.785 13.261 -2.922 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.366 14.230 -3.852 1.00 0.00 C ATOM 1133 C GLY A 74 -2.469 13.668 -5.276 1.00 0.00 C ATOM 1134 O GLY A 74 -1.883 12.622 -5.582 1.00 0.00 O ATOM 0 H GLY A 74 -1.130 12.622 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.358 14.518 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.757 15.134 -3.862 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.183 14.371 -6.166 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.664 13.877 -7.468 1.00 0.00 C ATOM 1140 C ARG A 75 -2.605 13.287 -8.380 1.00 0.00 C ATOM 1141 O ARG A 75 -2.902 12.357 -9.128 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.392 14.998 -8.238 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.889 14.715 -8.421 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.132 13.541 -9.377 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.533 13.107 -9.371 1.00 0.00 N ATOM 1146 CZ ARG A 75 -8.022 11.973 -9.886 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.213 11.124 -10.504 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -9.318 11.714 -9.792 1.00 0.00 N ATOM 0 H ARG A 75 -3.453 15.339 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.335 13.059 -7.205 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.267 15.940 -7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.928 15.122 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.339 14.495 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.383 15.607 -8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.847 13.832 -10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.492 12.705 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.204 13.735 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.219 11.335 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.585 10.259 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.938 12.378 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.695 10.851 -10.183 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.383 13.814 -8.352 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.289 13.280 -9.164 1.00 0.00 C ATOM 1164 C ARG A 76 -0.009 11.819 -8.867 1.00 0.00 C ATOM 1165 O ARG A 76 0.458 11.119 -9.759 1.00 0.00 O ATOM 1166 CB ARG A 76 0.970 14.127 -9.016 1.00 0.00 C ATOM 1167 CG ARG A 76 1.525 14.061 -7.586 1.00 0.00 C ATOM 1168 CD ARG A 76 2.366 15.315 -7.306 1.00 0.00 C ATOM 1169 NE ARG A 76 2.315 15.749 -5.890 1.00 0.00 N ATOM 1170 CZ ARG A 76 1.232 16.194 -5.228 1.00 0.00 C ATOM 1171 NH1 ARG A 76 0.072 16.371 -5.853 1.00 0.00 N ATOM 1172 NH2 ARG A 76 1.303 16.447 -3.931 1.00 0.00 N ATOM 0 H ARG A 76 -1.124 14.613 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.611 13.332 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.728 13.780 -9.718 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.746 15.162 -9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.707 13.991 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.134 13.166 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.402 15.119 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.016 16.129 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 76 3.188 15.706 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.006 16.169 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.740 16.709 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.181 16.305 -3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.480 16.784 -3.431 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.269 11.376 -7.638 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.109 9.990 -7.275 1.00 0.00 C ATOM 1188 C ALA A 77 -1.409 9.223 -7.500 1.00 0.00 C ATOM 1189 O ALA A 77 -1.326 8.073 -7.903 1.00 0.00 O ATOM 1190 CB ALA A 77 0.359 9.895 -5.834 1.00 0.00 C ATOM 0 H ALA A 77 -0.594 11.973 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 77 0.648 9.532 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.480 8.847 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.313 10.411 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.380 10.359 -5.180 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.592 9.829 -7.311 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.857 9.178 -7.680 1.00 0.00 C ATOM 1198 C ILE A 78 -3.779 8.749 -9.154 1.00 0.00 C ATOM 1199 O ILE A 78 -4.108 7.614 -9.489 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.082 10.081 -7.438 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.152 10.656 -6.013 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.396 9.341 -7.756 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -5.199 9.627 -4.883 1.00 0.00 C ATOM 0 H ILE A 78 -2.698 10.760 -6.909 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.992 8.306 -7.040 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.957 10.921 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.286 11.299 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.036 11.289 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.241 10.006 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.395 9.031 -8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.482 8.462 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.247 10.142 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.081 8.997 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.303 9.007 -4.918 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.283 9.639 -10.029 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.153 9.366 -11.453 1.00 0.00 C ATOM 1217 C ALA A 79 -2.225 8.181 -11.758 1.00 0.00 C ATOM 1218 O ALA A 79 -2.317 7.643 -12.861 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.648 10.627 -12.158 1.00 0.00 C ATOM 0 H ALA A 79 -2.962 10.569 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.139 9.086 -11.825 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.548 10.431 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.358 11.440 -12.003 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.678 10.909 -11.748 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.362 7.766 -10.821 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.559 6.572 -10.986 1.00 0.00 C ATOM 1227 C ALA A 80 -1.427 5.331 -10.899 1.00 0.00 C ATOM 1228 O ALA A 80 -1.443 4.527 -11.821 1.00 0.00 O ATOM 1229 CB ALA A 80 0.532 6.508 -9.922 1.00 0.00 C ATOM 0 H ALA A 80 -1.210 8.252 -9.937 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.093 6.612 -11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.125 5.604 -10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.177 7.382 -10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.075 6.492 -8.933 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.123 5.169 -9.781 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.984 4.061 -9.464 1.00 0.00 C ATOM 1237 C PHE A 81 -4.122 3.942 -10.473 1.00 0.00 C ATOM 1238 O PHE A 81 -4.447 2.833 -10.882 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.392 4.271 -8.003 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.169 4.299 -7.097 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.306 3.186 -7.056 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -1.800 5.478 -6.424 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -0.083 3.249 -6.374 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -0.564 5.551 -5.753 1.00 0.00 C ATOM 1245 CZ PHE A 81 0.285 4.431 -5.719 1.00 0.00 C ATOM 0 H PHE A 81 -2.092 5.858 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.499 3.089 -9.549 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.943 5.206 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.063 3.471 -7.690 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.591 2.272 -7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.466 6.328 -6.422 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.572 2.391 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.268 6.468 -5.264 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.223 4.482 -5.187 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.618 5.062 -10.995 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.515 5.080 -12.147 1.00 0.00 C ATOM 1257 C GLU A 82 -4.948 4.303 -13.351 1.00 0.00 C ATOM 1258 O GLU A 82 -5.695 3.617 -14.044 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.795 6.536 -12.545 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.864 7.226 -11.672 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.856 8.079 -12.488 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.165 7.773 -13.667 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.274 9.137 -11.975 1.00 0.00 O ATOM 0 H GLU A 82 -4.407 5.989 -10.627 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.439 4.581 -11.856 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.867 7.104 -12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.117 6.563 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.417 6.467 -11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.369 7.860 -10.936 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.636 4.352 -13.607 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.024 3.656 -14.741 1.00 0.00 C ATOM 1272 C ALA A 83 -3.009 2.134 -14.579 1.00 0.00 C ATOM 1273 O ALA A 83 -2.635 1.425 -15.513 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.575 4.104 -14.883 1.00 0.00 C ATOM 0 H ALA A 83 -2.972 4.874 -13.035 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.627 3.906 -15.614 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.116 3.588 -15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.542 5.180 -15.054 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.029 3.865 -13.970 1.00 0.00 H new ATOM 1280 N MET A 84 -3.325 1.633 -13.389 1.00 0.00 N ATOM 1281 CA MET A 84 -3.246 0.222 -13.027 1.00 0.00 C ATOM 1282 C MET A 84 -4.567 -0.250 -12.403 1.00 0.00 C ATOM 1283 O MET A 84 -4.662 -1.385 -11.933 1.00 0.00 O ATOM 1284 CB MET A 84 -1.981 -0.032 -12.170 1.00 0.00 C ATOM 1285 CG MET A 84 -1.597 1.114 -11.220 1.00 0.00 C ATOM 1286 SD MET A 84 -0.202 0.789 -10.107 1.00 0.00 S ATOM 1287 CE MET A 84 0.472 2.455 -9.845 1.00 0.00 C ATOM 0 H MET A 84 -3.655 2.220 -12.623 1.00 0.00 H new ATOM 0 HA MET A 84 -3.124 -0.397 -13.916 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.136 -0.936 -11.580 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.142 -0.227 -12.838 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.361 1.993 -11.820 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.468 1.366 -10.615 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.162 2.440 -9.001 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.001 2.778 -10.741 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.343 3.148 -9.635 1.00 0.00 H new ATOM 1297 N GLY A 85 -5.606 0.593 -12.405 1.00 0.00 N ATOM 1298 CA GLY A 85 -6.895 0.298 -11.796 1.00 0.00 C ATOM 1299 C GLY A 85 -6.837 0.168 -10.275 1.00 0.00 C ATOM 1300 O GLY A 85 -7.769 -0.364 -9.667 1.00 0.00 O ATOM 0 H GLY A 85 -5.567 1.515 -12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.600 1.086 -12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.283 -0.630 -12.217 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.766 0.657 -9.654 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.458 0.411 -8.257 1.00 0.00 C ATOM 1306 C VAL A 86 -6.335 1.358 -7.435 1.00 0.00 C ATOM 1307 O VAL A 86 -6.237 2.582 -7.544 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.939 0.627 -8.032 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.558 0.727 -6.549 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.176 -0.560 -8.631 1.00 0.00 C ATOM 0 H VAL A 86 -5.077 1.246 -10.122 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.672 -0.612 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.679 1.571 -8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.482 0.878 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.082 1.568 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.839 -0.194 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.106 -0.419 -8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.494 -1.481 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.385 -0.625 -9.699 1.00 0.00 H new ATOM 1320 N LYS A 87 -7.227 0.783 -6.623 1.00 0.00 N ATOM 1321 CA LYS A 87 -8.084 1.559 -5.725 1.00 0.00 C ATOM 1322 C LYS A 87 -7.209 2.288 -4.699 1.00 0.00 C ATOM 1323 O LYS A 87 -6.208 1.735 -4.235 1.00 0.00 O ATOM 1324 CB LYS A 87 -9.105 0.623 -5.080 1.00 0.00 C ATOM 1325 CG LYS A 87 -10.255 1.399 -4.431 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.863 0.670 -3.235 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.693 -0.554 -3.627 1.00 0.00 C ATOM 1328 NZ LYS A 87 -10.914 -1.767 -3.969 1.00 0.00 N ATOM 0 H LYS A 87 -7.374 -0.225 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.641 2.321 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.504 -0.055 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.611 0.008 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.892 2.375 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.032 1.577 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.063 0.357 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.493 1.364 -2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.365 -0.795 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.317 -0.291 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.509 -2.610 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.603 -1.712 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.082 -1.832 -3.348 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.617 3.490 -4.285 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.853 4.348 -3.397 1.00 0.00 C ATOM 1344 C VAL A 88 -7.722 4.690 -2.185 1.00 0.00 C ATOM 1345 O VAL A 88 -8.648 5.497 -2.263 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.338 5.598 -4.151 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.337 6.328 -3.247 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.671 5.287 -5.505 1.00 0.00 C ATOM 0 H VAL A 88 -8.509 3.896 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.962 3.833 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.208 6.214 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.962 7.213 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.832 6.627 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.505 5.663 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.338 6.216 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.814 4.633 -5.346 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.389 4.792 -6.159 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.432 4.090 -1.037 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.987 4.486 0.252 1.00 0.00 C ATOM 1360 C ILE A 89 -7.132 5.630 0.791 1.00 0.00 C ATOM 1361 O ILE A 89 -5.915 5.644 0.606 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.016 3.239 1.154 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.214 2.378 0.706 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.076 3.542 2.657 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.109 0.933 1.166 1.00 0.00 C ATOM 0 H ILE A 89 -6.792 3.299 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.011 4.855 0.191 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.072 2.707 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.134 2.813 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.287 2.403 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.093 2.607 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.200 4.122 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -8.978 4.113 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.981 0.377 0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.205 0.484 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.066 0.900 2.255 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.767 6.581 1.476 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.136 7.717 2.144 1.00 0.00 C ATOM 1379 C LYS A 90 -7.549 7.714 3.614 1.00 0.00 C ATOM 1380 O LYS A 90 -8.411 6.934 4.017 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.575 9.030 1.471 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.860 9.389 0.165 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.842 9.666 -0.985 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.295 8.356 -1.634 1.00 0.00 C ATOM 1385 NZ LYS A 90 -9.675 7.926 -1.326 1.00 0.00 N ATOM 0 H LYS A 90 -8.781 6.579 1.585 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.052 7.636 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.645 8.972 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.426 9.845 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.236 10.268 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.195 8.573 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.708 10.210 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.366 10.302 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.199 8.457 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.611 7.565 -1.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.772 6.908 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.881 8.113 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.344 8.454 -1.922 1.00 0.00 H new ATOM 1399 N GLY A 91 -6.957 8.620 4.392 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.413 8.958 5.725 1.00 0.00 C ATOM 1401 C GLY A 91 -7.087 7.945 6.810 1.00 0.00 C ATOM 1402 O GLY A 91 -7.607 8.083 7.916 1.00 0.00 O ATOM 0 H GLY A 91 -6.132 9.145 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.977 9.917 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.494 9.096 5.695 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.234 6.962 6.520 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.812 5.988 7.520 1.00 0.00 C ATOM 1408 C ALA A 92 -4.899 6.634 8.559 1.00 0.00 C ATOM 1409 O ALA A 92 -4.355 7.714 8.326 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.092 4.849 6.810 1.00 0.00 C ATOM 0 H ALA A 92 -5.822 6.821 5.597 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.686 5.604 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.769 4.110 7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.769 4.380 6.096 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.223 5.241 6.282 1.00 0.00 H new ATOM 1416 N SER A 93 -4.681 5.956 9.681 1.00 0.00 N ATOM 1417 CA SER A 93 -3.794 6.366 10.758 1.00 0.00 C ATOM 1418 C SER A 93 -3.411 5.102 11.533 1.00 0.00 C ATOM 1419 O SER A 93 -4.229 4.182 11.600 1.00 0.00 O ATOM 1420 CB SER A 93 -4.523 7.397 11.625 1.00 0.00 C ATOM 1421 OG SER A 93 -5.772 6.946 12.094 1.00 0.00 O ATOM 0 H SER A 93 -5.140 5.065 9.871 1.00 0.00 H new ATOM 0 HA SER A 93 -2.882 6.840 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.894 7.655 12.477 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.667 8.310 11.048 1.00 0.00 H new ATOM 0 HG SER A 93 -6.188 7.645 12.641 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.206 5.044 12.102 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.783 3.910 12.929 1.00 0.00 C ATOM 1429 C GLY A 94 -0.431 3.334 12.517 1.00 0.00 C ATOM 1430 O GLY A 94 0.425 4.050 11.981 1.00 0.00 O ATOM 0 H GLY A 94 -1.500 5.774 12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.733 4.227 13.971 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.537 3.125 12.871 1.00 0.00 H new ATOM 1434 N THR A 95 -0.185 2.070 12.853 1.00 0.00 N ATOM 1435 CA THR A 95 0.926 1.290 12.313 1.00 0.00 C ATOM 1436 C THR A 95 0.503 0.653 10.985 1.00 0.00 C ATOM 1437 O THR A 95 -0.635 0.815 10.540 1.00 0.00 O ATOM 1438 CB THR A 95 1.366 0.223 13.336 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.346 -0.742 13.452 1.00 0.00 O ATOM 1440 CG2 THR A 95 1.702 0.783 14.720 1.00 0.00 C ATOM 0 H THR A 95 -0.760 1.551 13.517 1.00 0.00 H new ATOM 0 HA THR A 95 1.779 1.941 12.124 1.00 0.00 H new ATOM 0 HB THR A 95 2.290 -0.213 12.957 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.616 -1.427 14.099 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.002 -0.032 15.379 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.519 1.500 14.634 1.00 0.00 H new ATOM 0 HG23 THR A 95 0.825 1.280 15.134 1.00 0.00 H new ATOM 1448 N VAL A 96 1.405 -0.090 10.344 1.00 0.00 N ATOM 1449 CA VAL A 96 1.064 -0.854 9.156 1.00 0.00 C ATOM 1450 C VAL A 96 0.085 -1.954 9.528 1.00 0.00 C ATOM 1451 O VAL A 96 -0.999 -2.017 8.948 1.00 0.00 O ATOM 1452 CB VAL A 96 2.337 -1.393 8.470 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.150 -2.612 7.557 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.901 -0.266 7.624 1.00 0.00 C ATOM 0 H VAL A 96 2.379 -0.176 10.633 1.00 0.00 H new ATOM 0 HA VAL A 96 0.575 -0.208 8.427 1.00 0.00 H new ATOM 0 HB VAL A 96 2.991 -1.731 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.112 -2.899 7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.747 -3.442 8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.458 -2.361 6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.805 -0.607 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.163 0.035 6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.140 0.584 8.263 1.00 0.00 H new ATOM 1464 N GLU A 97 0.462 -2.841 10.456 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.388 -4.002 10.706 1.00 0.00 C ATOM 1466 C GLU A 97 -1.725 -3.611 11.343 1.00 0.00 C ATOM 1467 O GLU A 97 -2.699 -4.357 11.226 1.00 0.00 O ATOM 1468 CB GLU A 97 0.308 -5.144 11.446 1.00 0.00 C ATOM 1469 CG GLU A 97 0.721 -4.931 12.905 1.00 0.00 C ATOM 1470 CD GLU A 97 1.090 -6.280 13.570 1.00 0.00 C ATOM 1471 OE1 GLU A 97 1.576 -7.207 12.874 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.869 -6.488 14.785 1.00 0.00 O ATOM 0 H GLU A 97 1.309 -2.782 11.021 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.610 -4.412 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.352 -6.011 11.413 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.204 -5.405 10.883 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.572 -4.251 12.952 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.094 -4.460 13.454 1.00 0.00 H new ATOM 1479 N GLU A 98 -1.784 -2.439 11.975 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.018 -1.818 12.415 1.00 0.00 C ATOM 1481 C GLU A 98 -3.830 -1.352 11.210 1.00 0.00 C ATOM 1482 O GLU A 98 -4.968 -1.777 11.087 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.744 -0.662 13.379 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.058 -0.066 13.902 1.00 0.00 C ATOM 1485 CD GLU A 98 -3.869 1.068 14.909 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -2.747 1.226 15.449 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.863 1.790 15.154 1.00 0.00 O ATOM 0 H GLU A 98 -0.954 -1.889 12.197 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.603 -2.560 12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.141 -1.015 14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.165 0.110 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.638 0.305 13.057 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.644 -0.858 14.368 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.310 -0.501 10.319 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.062 0.036 9.196 1.00 0.00 C ATOM 1496 C VAL A 99 -4.602 -1.086 8.305 1.00 0.00 C ATOM 1497 O VAL A 99 -5.754 -1.010 7.863 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.145 1.023 8.453 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.629 1.341 7.050 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.096 2.367 9.188 1.00 0.00 C ATOM 0 H VAL A 99 -2.347 -0.167 10.363 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.948 0.572 9.537 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.172 0.533 8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.941 2.042 6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.672 0.423 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.623 1.786 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.443 3.053 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.100 2.789 9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.711 2.216 10.196 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.809 -2.132 8.043 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.314 -3.274 7.293 1.00 0.00 C ATOM 1512 C VAL A 100 -5.452 -3.915 8.089 1.00 0.00 C ATOM 1513 O VAL A 100 -6.472 -4.250 7.490 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.206 -4.285 6.926 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.791 -5.406 6.052 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -2.071 -3.648 6.115 1.00 0.00 C ATOM 0 H VAL A 100 -2.835 -2.206 8.335 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.699 -2.926 6.334 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.813 -4.660 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.004 -6.116 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.580 -5.920 6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.204 -4.977 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.320 -4.404 5.885 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.472 -3.240 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.614 -2.847 6.696 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.327 -4.067 9.413 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.411 -4.618 10.219 1.00 0.00 C ATOM 1528 C ASN A 101 -7.654 -3.721 10.180 1.00 0.00 C ATOM 1529 O ASN A 101 -8.746 -4.254 10.033 1.00 0.00 O ATOM 1530 CB ASN A 101 -5.951 -4.872 11.659 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.049 -5.539 12.471 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -7.292 -6.734 12.315 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.701 -4.809 13.362 1.00 0.00 N ATOM 0 H ASN A 101 -4.491 -3.817 9.941 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.691 -5.577 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.062 -5.503 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.670 -3.928 12.127 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.425 -5.236 13.940 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.479 -3.819 13.471 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.522 -2.389 10.256 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.649 -1.458 10.171 1.00 0.00 C ATOM 1542 C GLN A 102 -9.402 -1.693 8.854 1.00 0.00 C ATOM 1543 O GLN A 102 -10.630 -1.793 8.844 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.208 0.024 10.278 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.521 0.454 11.589 1.00 0.00 C ATOM 1546 CD GLN A 102 -6.913 1.864 11.498 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -7.075 2.570 10.501 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -6.186 2.325 12.502 1.00 0.00 N ATOM 0 H GLN A 102 -6.621 -1.927 10.379 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.304 -1.652 11.020 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.528 0.236 9.453 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.088 0.651 10.135 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.246 0.426 12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.737 -0.261 11.837 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.043 1.752 13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.768 3.254 12.445 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.686 -1.781 7.731 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.316 -1.940 6.428 1.00 0.00 C ATOM 1559 C TYR A 103 -9.880 -3.338 6.242 1.00 0.00 C ATOM 1560 O TYR A 103 -11.002 -3.461 5.759 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.359 -1.557 5.299 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.717 -2.162 3.958 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.825 -1.667 3.246 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.016 -3.288 3.483 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.237 -2.294 2.062 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.418 -3.915 2.291 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.548 -3.431 1.596 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.974 -4.060 0.472 1.00 0.00 O ATOM 0 H TYR A 103 -7.667 -1.744 7.703 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.160 -1.252 6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.342 -0.471 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.350 -1.869 5.570 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.359 -0.803 3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.170 -3.669 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.080 -1.907 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.866 -4.761 1.909 1.00 0.00 H new ATOM 0 HH TYR A 103 -10.397 -3.409 -0.127 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.158 -4.384 6.643 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.680 -5.740 6.535 1.00 0.00 C ATOM 1580 C LEU A 104 -10.871 -5.941 7.482 1.00 0.00 C ATOM 1581 O LEU A 104 -11.699 -6.812 7.223 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.578 -6.787 6.780 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.487 -6.835 5.686 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.507 -7.973 5.980 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -8.049 -7.057 4.277 1.00 0.00 C ATOM 0 H LEU A 104 -8.221 -4.318 7.041 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.037 -5.884 5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.104 -6.580 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.040 -7.771 6.858 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.997 -5.862 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.740 -8.002 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.037 -7.807 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.044 -8.921 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.230 -7.080 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.587 -8.004 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.730 -6.244 4.025 1.00 0.00 H new ATOM 1597 N SER A 105 -11.013 -5.109 8.519 1.00 0.00 N ATOM 1598 CA SER A 105 -12.207 -5.041 9.360 1.00 0.00 C ATOM 1599 C SER A 105 -13.361 -4.288 8.679 1.00 0.00 C ATOM 1600 O SER A 105 -14.481 -4.299 9.194 1.00 0.00 O ATOM 1601 CB SER A 105 -11.859 -4.352 10.687 1.00 0.00 C ATOM 1602 OG SER A 105 -11.259 -5.236 11.613 1.00 0.00 O ATOM 0 H SER A 105 -10.285 -4.452 8.801 1.00 0.00 H new ATOM 0 HA SER A 105 -12.542 -6.063 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.183 -3.519 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.765 -3.933 11.124 1.00 0.00 H new ATOM 0 HG SER A 105 -10.290 -5.256 11.466 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.127 -3.617 7.553 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.114 -2.838 6.820 1.00 0.00 C ATOM 1610 C GLY A 106 -14.199 -1.375 7.260 1.00 0.00 C ATOM 1611 O GLY A 106 -15.035 -0.645 6.728 1.00 0.00 O ATOM 0 H GLY A 106 -12.208 -3.603 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.875 -2.874 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.093 -3.302 6.943 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.364 -0.931 8.212 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.468 0.402 8.805 1.00 0.00 C ATOM 1617 C GLN A 107 -13.190 1.514 7.790 1.00 0.00 C ATOM 1618 O GLN A 107 -13.808 2.577 7.864 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.450 0.589 9.943 1.00 0.00 C ATOM 1620 CG GLN A 107 -12.547 -0.348 11.152 1.00 0.00 C ATOM 1621 CD GLN A 107 -11.507 0.006 12.228 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -11.002 1.130 12.302 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -11.133 -0.940 13.076 1.00 0.00 N ATOM 0 H GLN A 107 -12.599 -1.490 8.589 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.492 0.473 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.451 0.486 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.538 1.613 10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.548 -0.289 11.579 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.399 -1.378 10.827 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.548 -1.870 13.018 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.430 -0.739 13.787 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.185 1.304 6.935 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.533 2.351 6.147 1.00 0.00 C ATOM 1634 C LEU A 108 -12.459 2.889 5.042 1.00 0.00 C ATOM 1635 O LEU A 108 -13.495 2.291 4.739 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.180 1.808 5.606 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.888 2.439 6.173 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.949 3.932 6.482 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.462 1.749 7.458 1.00 0.00 C ATOM 0 H LEU A 108 -11.793 0.377 6.768 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.320 3.211 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.145 0.736 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.172 1.938 4.524 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.177 2.300 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.987 4.262 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.178 4.483 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.726 4.119 7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.551 2.213 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.253 1.845 8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.277 0.693 7.260 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.096 4.009 4.397 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.907 4.616 3.333 1.00 0.00 C ATOM 1653 C LYS A 109 -12.070 4.950 2.117 1.00 0.00 C ATOM 1654 O LYS A 109 -10.873 5.220 2.200 1.00 0.00 O ATOM 1655 CB LYS A 109 -13.619 5.894 3.813 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.144 5.867 3.631 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.884 5.065 4.719 1.00 0.00 C ATOM 1658 CE LYS A 109 -16.582 3.814 4.177 1.00 0.00 C ATOM 1659 NZ LYS A 109 -17.598 3.311 5.123 1.00 0.00 N ATOM 0 H LYS A 109 -11.235 4.517 4.598 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.656 3.872 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.392 6.049 4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.214 6.748 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.519 6.891 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.377 5.440 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.173 4.771 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.624 5.708 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.054 4.044 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.842 3.036 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.052 2.464 4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.142 3.069 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.316 4.046 5.284 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.743 5.080 0.993 1.00 0.00 N ATOM 1674 CA ASP A 110 -12.186 5.081 -0.358 1.00 0.00 C ATOM 1675 C ASP A 110 -12.835 6.212 -1.162 1.00 0.00 C ATOM 1676 O ASP A 110 -13.219 6.038 -2.321 1.00 0.00 O ATOM 1677 CB ASP A 110 -12.342 3.700 -1.034 1.00 0.00 C ATOM 1678 CG ASP A 110 -13.789 3.290 -1.346 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -14.703 3.770 -0.640 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -13.991 2.415 -2.224 1.00 0.00 O ATOM 0 H ASP A 110 -13.756 5.195 0.990 1.00 0.00 H new ATOM 0 HA ASP A 110 -11.113 5.266 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.772 3.701 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.897 2.943 -0.388 1.00 0.00 H new ATOM 1685 N SER A 111 -12.917 7.389 -0.525 1.00 0.00 N ATOM 1686 CA SER A 111 -13.460 8.628 -1.062 1.00 0.00 C ATOM 1687 C SER A 111 -12.989 8.897 -2.481 1.00 0.00 C ATOM 1688 O SER A 111 -11.867 8.554 -2.864 1.00 0.00 O ATOM 1689 CB SER A 111 -12.997 9.802 -0.206 1.00 0.00 C ATOM 1690 OG SER A 111 -13.834 9.977 0.916 1.00 0.00 O ATOM 0 H SER A 111 -12.585 7.499 0.433 1.00 0.00 H new ATOM 0 HA SER A 111 -14.545 8.523 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.972 9.633 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.992 10.713 -0.805 1.00 0.00 H new ATOM 0 HG SER A 111 -13.513 10.735 1.448 1.00 0.00 H new ATOM 1696 N ASP A 112 -13.817 9.611 -3.221 1.00 0.00 N ATOM 1697 CA ASP A 112 -13.954 9.444 -4.642 1.00 0.00 C ATOM 1698 C ASP A 112 -14.119 10.836 -5.225 1.00 0.00 C ATOM 1699 O ASP A 112 -14.894 11.660 -4.730 1.00 0.00 O ATOM 1700 CB ASP A 112 -15.078 8.443 -4.966 1.00 0.00 C ATOM 1701 CG ASP A 112 -16.487 8.807 -4.489 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -16.710 8.857 -3.254 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -17.368 8.958 -5.367 1.00 0.00 O ATOM 0 H ASP A 112 -14.422 10.336 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.077 8.993 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.110 8.307 -6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.811 7.480 -4.531 1.00 0.00 H new ATOM 1708 N TYR A 113 -13.234 11.128 -6.168 1.00 0.00 N ATOM 1709 CA TYR A 113 -12.833 12.457 -6.587 1.00 0.00 C ATOM 1710 C TYR A 113 -13.444 12.791 -7.950 1.00 0.00 C ATOM 1711 O TYR A 113 -13.206 12.086 -8.937 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.299 12.478 -6.614 1.00 0.00 C ATOM 1713 CG TYR A 113 -10.684 13.797 -6.212 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -10.886 14.942 -7.002 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -9.917 13.878 -5.032 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -10.275 16.155 -6.646 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.277 15.085 -4.691 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.435 16.224 -5.515 1.00 0.00 C ATOM 1719 OH TYR A 113 -8.765 17.377 -5.243 1.00 0.00 O ATOM 0 H TYR A 113 -12.750 10.397 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 113 -13.194 13.220 -5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.926 11.700 -5.948 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.962 12.226 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.510 14.889 -7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.820 13.015 -4.390 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -10.449 17.039 -7.241 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.667 15.141 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.669 17.902 -6.065 1.00 0.00 H new ATOM 1729 N GLU A 114 -14.246 13.850 -7.997 1.00 0.00 N ATOM 1730 CA GLU A 114 -15.033 14.263 -9.155 1.00 0.00 C ATOM 1731 C GLU A 114 -14.174 14.796 -10.306 1.00 0.00 C ATOM 1732 O GLU A 114 -13.205 15.527 -10.085 1.00 0.00 O ATOM 1733 CB GLU A 114 -16.082 15.305 -8.724 1.00 0.00 C ATOM 1734 CG GLU A 114 -15.493 16.499 -7.954 1.00 0.00 C ATOM 1735 CD GLU A 114 -16.573 17.458 -7.469 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -17.462 17.027 -6.693 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -16.528 18.655 -7.829 1.00 0.00 O ATOM 0 H GLU A 114 -14.371 14.470 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.534 13.375 -9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.598 15.675 -9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.831 14.816 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.923 16.133 -7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.795 17.035 -8.597 1.00 0.00 H new ATOM 1744 N VAL A 115 -14.595 14.477 -11.537 1.00 0.00 N ATOM 1745 CA VAL A 115 -14.064 14.915 -12.835 1.00 0.00 C ATOM 1746 C VAL A 115 -12.548 15.143 -12.781 1.00 0.00 C ATOM 1747 O VAL A 115 -12.032 16.232 -13.070 1.00 0.00 O ATOM 1748 CB VAL A 115 -14.870 16.111 -13.399 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -14.593 16.304 -14.899 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -16.380 15.899 -13.243 1.00 0.00 C ATOM 0 H VAL A 115 -15.389 13.848 -11.661 1.00 0.00 H new ATOM 0 HA VAL A 115 -14.202 14.107 -13.554 1.00 0.00 H new ATOM 0 HB VAL A 115 -14.553 16.986 -12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.171 17.150 -15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -13.531 16.496 -15.051 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.880 15.403 -15.441 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -16.912 16.759 -13.650 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -16.679 14.999 -13.781 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -16.625 15.788 -12.187 1.00 0.00 H new ATOM 1760 N HIS A 116 -11.820 14.084 -12.425 1.00 0.00 N ATOM 1761 CA HIS A 116 -10.401 14.068 -12.110 1.00 0.00 C ATOM 1762 C HIS A 116 -10.076 15.023 -10.958 1.00 0.00 C ATOM 1763 O HIS A 116 -9.832 14.543 -9.856 1.00 0.00 O ATOM 1764 CB HIS A 116 -9.574 14.242 -13.390 1.00 0.00 C ATOM 1765 CG HIS A 116 -8.088 14.024 -13.247 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -7.370 12.985 -13.812 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -7.196 14.934 -12.749 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -6.063 13.275 -13.683 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -5.934 14.454 -13.040 1.00 0.00 N ATOM 0 H HIS A 116 -12.238 13.157 -12.345 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.108 13.093 -11.720 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -9.953 13.550 -14.142 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -9.739 15.249 -13.772 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -7.433 15.850 -12.229 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.247 12.662 -14.037 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.053 14.913 -12.808 1.00 0.00 H new ATOM 1778 N ASP A 117 -10.013 16.335 -11.192 1.00 0.00 N ATOM 1779 CA ASP A 117 -9.882 17.360 -10.148 1.00 0.00 C ATOM 1780 C ASP A 117 -10.182 18.757 -10.691 1.00 0.00 C ATOM 1781 O ASP A 117 -10.771 19.579 -9.991 1.00 0.00 O ATOM 1782 CB ASP A 117 -8.474 17.348 -9.540 1.00 0.00 C ATOM 1783 CG ASP A 117 -8.187 18.637 -8.773 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -8.594 18.761 -7.593 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -7.544 19.530 -9.373 1.00 0.00 O ATOM 0 H ASP A 117 -10.052 16.726 -12.133 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.612 17.120 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.373 16.494 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.735 17.222 -10.332 1.00 0.00 H new ATOM 1790 N HIS A 118 -9.815 19.023 -11.952 1.00 0.00 N ATOM 1791 CA HIS A 118 -10.164 20.231 -12.706 1.00 0.00 C ATOM 1792 C HIS A 118 -9.513 21.529 -12.193 1.00 0.00 C ATOM 1793 O HIS A 118 -9.725 22.567 -12.828 1.00 0.00 O ATOM 1794 CB HIS A 118 -11.707 20.372 -12.781 1.00 0.00 C ATOM 1795 CG HIS A 118 -12.301 20.509 -14.157 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -13.469 19.903 -14.588 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -11.811 21.268 -15.182 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -13.670 20.274 -15.862 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -12.679 21.099 -16.246 1.00 0.00 N ATOM 0 H HIS A 118 -9.244 18.375 -12.495 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.747 20.094 -13.704 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -12.153 19.501 -12.302 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.999 21.243 -12.195 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.921 21.880 -15.165 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -14.497 19.960 -16.481 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -12.584 21.528 -17.167 1.00 0.00 H new ATOM 1808 N HIS A 119 -8.763 21.535 -11.083 1.00 0.00 N ATOM 1809 CA HIS A 119 -8.278 22.773 -10.472 1.00 0.00 C ATOM 1810 C HIS A 119 -7.009 23.243 -11.183 1.00 0.00 C ATOM 1811 O HIS A 119 -6.175 22.419 -11.580 1.00 0.00 O ATOM 1812 CB HIS A 119 -8.027 22.532 -8.970 1.00 0.00 C ATOM 1813 CG HIS A 119 -8.275 23.717 -8.068 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -7.606 23.997 -6.887 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -9.373 24.530 -8.130 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -8.292 24.967 -6.249 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -9.365 25.311 -6.994 1.00 0.00 N ATOM 0 H HIS A 119 -8.479 20.689 -10.589 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.026 23.559 -10.576 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -8.662 21.709 -8.641 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.994 22.209 -8.840 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -10.108 24.555 -8.921 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -8.026 25.399 -5.296 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -10.052 26.027 -6.757 1.00 0.00 H new ATOM 1826 N HIS A 120 -6.803 24.564 -11.241 1.00 0.00 N ATOM 1827 CA HIS A 120 -5.802 25.284 -12.041 1.00 0.00 C ATOM 1828 C HIS A 120 -5.960 24.974 -13.540 1.00 0.00 C ATOM 1829 O HIS A 120 -6.618 24.007 -13.919 1.00 0.00 O ATOM 1830 CB HIS A 120 -4.347 25.023 -11.583 1.00 0.00 C ATOM 1831 CG HIS A 120 -3.966 25.257 -10.132 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -2.667 25.467 -9.694 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -4.776 25.221 -9.025 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -2.700 25.555 -8.350 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -3.965 25.404 -7.922 1.00 0.00 N ATOM 0 H HIS A 120 -7.373 25.206 -10.690 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.995 26.344 -11.876 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -4.112 23.985 -11.819 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -3.695 25.645 -12.196 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.846 25.077 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -1.843 25.721 -7.715 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.273 25.422 -6.950 1.00 0.00 H new ATOM 1844 N HIS A 121 -5.332 25.771 -14.409 1.00 0.00 N ATOM 1845 CA HIS A 121 -5.110 25.448 -15.820 1.00 0.00 C ATOM 1846 C HIS A 121 -3.725 25.944 -16.224 1.00 0.00 C ATOM 1847 O HIS A 121 -3.178 26.814 -15.547 1.00 0.00 O ATOM 1848 CB HIS A 121 -6.208 26.060 -16.703 1.00 0.00 C ATOM 1849 CG HIS A 121 -7.501 25.290 -16.617 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -8.538 25.518 -15.733 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -7.802 24.170 -17.336 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -9.451 24.547 -15.911 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -9.026 23.720 -16.889 1.00 0.00 N ATOM 0 H HIS A 121 -4.955 26.681 -14.144 1.00 0.00 H new ATOM 0 HA HIS A 121 -5.157 24.368 -15.962 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.381 27.093 -16.401 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.869 26.083 -17.739 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -7.196 23.721 -18.109 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -10.375 24.445 -15.361 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -9.525 22.902 -17.238 1.00 0.00 H new ATOM 1862 N GLU A 122 -3.160 25.438 -17.323 1.00 0.00 N ATOM 1863 CA GLU A 122 -1.790 25.759 -17.745 1.00 0.00 C ATOM 1864 C GLU A 122 -1.717 26.802 -18.865 1.00 0.00 C ATOM 1865 O GLU A 122 -0.756 27.563 -18.905 1.00 0.00 O ATOM 1866 CB GLU A 122 -1.022 24.477 -18.091 1.00 0.00 C ATOM 1867 CG GLU A 122 -1.587 23.684 -19.282 1.00 0.00 C ATOM 1868 CD GLU A 122 -1.535 22.182 -19.003 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -2.436 21.682 -18.284 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -0.571 21.509 -19.435 1.00 0.00 O ATOM 0 H GLU A 122 -3.640 24.791 -17.949 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.301 26.234 -16.894 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.014 24.739 -18.306 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.012 23.829 -17.214 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.616 23.988 -19.473 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.015 23.912 -20.182 1.00 0.00 H new ATOM 1877 N HIS A 123 -2.736 26.908 -19.725 1.00 0.00 N ATOM 1878 CA HIS A 123 -2.912 27.928 -20.772 1.00 0.00 C ATOM 1879 C HIS A 123 -1.894 27.897 -21.925 1.00 0.00 C ATOM 1880 O HIS A 123 -2.217 28.403 -22.998 1.00 0.00 O ATOM 1881 CB HIS A 123 -2.975 29.342 -20.156 1.00 0.00 C ATOM 1882 CG HIS A 123 -3.481 30.392 -21.119 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -2.717 31.377 -21.723 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -4.756 30.475 -21.610 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -3.523 32.051 -22.569 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -4.766 31.521 -22.516 1.00 0.00 N ATOM 0 H HIS A 123 -3.510 26.244 -19.710 1.00 0.00 H new ATOM 0 HA HIS A 123 -3.863 27.667 -21.235 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -3.623 29.320 -19.280 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -1.981 29.625 -19.810 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.592 29.846 -21.342 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -3.223 32.882 -23.190 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -5.573 31.838 -23.052 1.00 0.00 H new ATOM 1895 N HIS A 124 -0.687 27.373 -21.740 1.00 0.00 N ATOM 1896 CA HIS A 124 0.294 27.117 -22.779 1.00 0.00 C ATOM 1897 C HIS A 124 1.164 26.006 -22.232 1.00 0.00 C ATOM 1898 O HIS A 124 1.467 25.073 -23.003 1.00 0.00 O ATOM 1899 CB HIS A 124 1.153 28.357 -23.090 1.00 0.00 C ATOM 1900 CG HIS A 124 2.414 28.006 -23.854 1.00 0.00 C ATOM 1901 ND1 HIS A 124 2.473 27.232 -25.003 1.00 0.00 N ATOM 1902 CD2 HIS A 124 3.690 28.162 -23.380 1.00 0.00 C ATOM 1903 CE1 HIS A 124 3.768 26.921 -25.215 1.00 0.00 C ATOM 1904 NE2 HIS A 124 4.526 27.484 -24.250 1.00 0.00 N ATOM 0 H HIS A 124 -0.354 27.103 -20.814 1.00 0.00 H new ATOM 0 HA HIS A 124 -0.195 26.852 -23.716 1.00 0.00 H new ATOM 0 HB2 HIS A 124 0.565 29.067 -23.671 1.00 0.00 H new ATOM 0 HB3 HIS A 124 1.422 28.853 -22.157 1.00 0.00 H new ATOM 0 HD2 HIS A 124 3.986 28.709 -22.497 1.00 0.00 H new ATOM 0 HE1 HIS A 124 4.140 26.317 -26.029 1.00 0.00 H new ATOM 0 HE2 HIS A 124 5.541 27.421 -24.175 1.00 0.00 H new TER 1913 HIS A 124