USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 815 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 54 GLN : amide:sc= -0.0152 K(o=-0.33,f=-1.7!) USER MOD Set 1.2: A 56 ASN : amide:sc= -0.316 K(o=-0.33,f=-1.7) USER MOD Set 2.1: A 25 GLN : amide:sc= -2.67! C(o=-4.1!,f=-0.73!) USER MOD Set 2.2: A 87 THR OG1 : rot 179:sc= -1.41 USER MOD Set 3.1: A 13 SER OG : rot -49:sc= 0.703! USER MOD Set 3.2: A 17 SER OG : rot 118:sc= 0.773! USER MOD Set 4.1: A 16 LYS NZ :NH3+ -105:sc= 0.159 (180deg=-0.293) USER MOD Set 4.2: A 66 GLN : amide:sc= -0.101 K(o=0.058,f=-1.2) USER MOD Single : A 1 ARG N :NH3+ -161:sc= -0.215 (180deg=-1.36) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.617 USER MOD Single : A 9 HIS : no HD1:sc=-0.00919 X(o=-0.0092,f=-0.32) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0.913 (180deg=0.837) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 139:sc= -0.174 (180deg=-0.997) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0931 (180deg=-0.627) USER MOD Single : A 59 HIS : no HD1:sc= -0.0955 X(o=-0.095,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -139:sc= -0.711 (180deg=-4.42!) USER MOD Single : A 71 TYR OH : rot 61:sc= 0.404 USER MOD Single : A 74 GLN : amide:sc= -0.0472 K(o=-0.047,f=-1.7!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -9.48! C(o=-9.5!,f=-8.1!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 93 MET CE :methyl -154:sc= -0.973 (180deg=-3.16!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -2.27! C(o=-2.3!,f=-8.1!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.708 20.876 -7.237 1.00 0.00 N ATOM 2 CA ARG A 1 2.802 19.509 -7.821 1.00 0.00 C ATOM 3 C ARG A 1 4.061 18.832 -7.286 1.00 0.00 C ATOM 4 O ARG A 1 4.129 17.606 -7.201 1.00 0.00 O ATOM 5 CB ARG A 1 2.879 19.610 -9.350 1.00 0.00 C ATOM 6 CG ARG A 1 1.745 20.493 -9.894 1.00 0.00 C ATOM 7 CD ARG A 1 0.385 19.824 -9.674 1.00 0.00 C ATOM 8 NE ARG A 1 -0.655 20.565 -10.377 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.235 21.630 -9.834 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.838 22.066 -8.670 1.00 0.00 N ATOM 11 NH2 ARG A 1 -2.194 22.246 -10.470 1.00 0.00 N ATOM 0 H1 ARG A 1 1.731 21.223 -7.322 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.978 20.844 -6.233 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.349 21.517 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 1 1.924 18.925 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.843 20.025 -9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.814 18.614 -9.789 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.763 21.463 -9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.898 20.676 -10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 1 0.415 18.795 -10.032 1.00 0.00 H new ATOM 0 HD3 ARG A 1 0.158 19.785 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.944 20.259 -11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -0.083 21.589 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.283 22.884 -8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -2.498 21.910 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.639 23.064 -10.053 1.00 0.00 H new ATOM 25 N GLU A 2 5.048 19.654 -6.925 1.00 0.00 N ATOM 26 CA GLU A 2 6.325 19.170 -6.386 1.00 0.00 C ATOM 27 C GLU A 2 6.162 17.841 -5.627 1.00 0.00 C ATOM 28 O GLU A 2 5.790 17.849 -4.453 1.00 0.00 O ATOM 29 CB GLU A 2 6.891 20.220 -5.425 1.00 0.00 C ATOM 30 CG GLU A 2 8.372 19.937 -5.164 1.00 0.00 C ATOM 31 CD GLU A 2 9.192 20.272 -6.406 1.00 0.00 C ATOM 32 OE1 GLU A 2 9.492 21.439 -6.597 1.00 0.00 O ATOM 33 OE2 GLU A 2 9.506 19.356 -7.149 1.00 0.00 O ATOM 0 H GLU A 2 4.988 20.670 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 2 7.000 19.001 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.771 21.217 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.337 20.204 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.720 20.528 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.510 18.889 -4.899 1.00 0.00 H new ATOM 40 N PRO A 3 6.436 16.710 -6.250 1.00 0.00 N ATOM 41 CA PRO A 3 6.328 15.386 -5.608 1.00 0.00 C ATOM 42 C PRO A 3 7.711 14.918 -5.168 1.00 0.00 C ATOM 43 O PRO A 3 8.642 15.721 -5.107 1.00 0.00 O ATOM 44 CB PRO A 3 5.796 14.522 -6.743 1.00 0.00 C ATOM 45 CG PRO A 3 6.471 15.072 -7.972 1.00 0.00 C ATOM 46 CD PRO A 3 6.892 16.526 -7.638 1.00 0.00 C ATOM 0 HA PRO A 3 5.699 15.363 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.040 13.471 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.711 14.590 -6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.339 14.470 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.795 15.052 -8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.970 16.661 -7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.424 17.243 -8.312 1.00 0.00 H new ATOM 54 N SER A 4 7.864 13.631 -4.882 1.00 0.00 N ATOM 55 CA SER A 4 9.172 13.131 -4.479 1.00 0.00 C ATOM 56 C SER A 4 9.212 11.595 -4.511 1.00 0.00 C ATOM 57 O SER A 4 8.169 10.950 -4.628 1.00 0.00 O ATOM 58 CB SER A 4 9.504 13.663 -3.077 1.00 0.00 C ATOM 59 OG SER A 4 9.441 12.600 -2.133 1.00 0.00 O ATOM 0 H SER A 4 7.122 12.932 -4.920 1.00 0.00 H new ATOM 0 HA SER A 4 9.923 13.486 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.499 14.108 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.802 14.450 -2.800 1.00 0.00 H new ATOM 0 HG SER A 4 9.655 12.942 -1.240 1.00 0.00 H new ATOM 65 N PRO A 5 10.386 11.001 -4.420 1.00 0.00 N ATOM 66 CA PRO A 5 10.539 9.508 -4.453 1.00 0.00 C ATOM 67 C PRO A 5 9.560 8.794 -3.509 1.00 0.00 C ATOM 68 O PRO A 5 9.070 9.400 -2.558 1.00 0.00 O ATOM 69 CB PRO A 5 11.991 9.284 -4.009 1.00 0.00 C ATOM 70 CG PRO A 5 12.711 10.529 -4.415 1.00 0.00 C ATOM 71 CD PRO A 5 11.697 11.673 -4.278 1.00 0.00 C ATOM 0 HA PRO A 5 10.319 9.099 -5.439 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.055 9.123 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.420 8.404 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.580 10.701 -3.780 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.075 10.452 -5.440 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.787 12.174 -3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.843 12.432 -5.047 1.00 0.00 H new ATOM 79 N PRO A 6 9.269 7.528 -3.752 1.00 0.00 N ATOM 80 CA PRO A 6 8.340 6.724 -2.906 1.00 0.00 C ATOM 81 C PRO A 6 8.416 6.998 -1.405 1.00 0.00 C ATOM 82 O PRO A 6 9.233 7.785 -0.931 1.00 0.00 O ATOM 83 CB PRO A 6 8.733 5.290 -3.231 1.00 0.00 C ATOM 84 CG PRO A 6 9.051 5.352 -4.676 1.00 0.00 C ATOM 85 CD PRO A 6 9.766 6.703 -4.880 1.00 0.00 C ATOM 0 HA PRO A 6 7.303 6.973 -3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.590 4.963 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.921 4.592 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.690 4.520 -4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.146 5.291 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.850 6.593 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.517 7.148 -5.843 1.00 0.00 H new ATOM 93 N SER A 7 7.516 6.350 -0.665 1.00 0.00 N ATOM 94 CA SER A 7 7.437 6.537 0.779 1.00 0.00 C ATOM 95 C SER A 7 6.628 5.405 1.428 1.00 0.00 C ATOM 96 O SER A 7 5.740 5.644 2.246 1.00 0.00 O ATOM 97 CB SER A 7 6.788 7.907 1.042 1.00 0.00 C ATOM 98 OG SER A 7 7.678 8.714 1.800 1.00 0.00 O ATOM 0 H SER A 7 6.834 5.693 -1.043 1.00 0.00 H new ATOM 0 HA SER A 7 8.433 6.509 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.551 8.397 0.097 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.848 7.779 1.579 1.00 0.00 H new ATOM 0 HG SER A 7 7.266 9.588 1.967 1.00 0.00 H new ATOM 104 N ILE A 8 6.930 4.167 1.045 1.00 0.00 N ATOM 105 CA ILE A 8 6.214 3.009 1.583 1.00 0.00 C ATOM 106 C ILE A 8 7.192 1.978 2.123 1.00 0.00 C ATOM 107 O ILE A 8 8.070 1.495 1.408 1.00 0.00 O ATOM 108 CB ILE A 8 5.365 2.369 0.475 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.475 3.432 -0.202 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.496 1.252 1.068 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.233 3.735 0.630 1.00 0.00 C ATOM 0 H ILE A 8 7.659 3.939 0.370 1.00 0.00 H new ATOM 0 HA ILE A 8 5.572 3.346 2.397 1.00 0.00 H new ATOM 0 HB ILE A 8 6.029 1.944 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.048 4.348 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.176 3.082 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.895 0.801 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.136 0.492 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.839 1.669 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.630 4.488 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.647 2.824 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.533 4.110 1.609 1.00 0.00 H new ATOM 123 N HIS A 9 7.014 1.644 3.394 1.00 0.00 N ATOM 124 CA HIS A 9 7.855 0.656 4.066 1.00 0.00 C ATOM 125 C HIS A 9 7.008 -0.550 4.441 1.00 0.00 C ATOM 126 O HIS A 9 6.078 -0.430 5.238 1.00 0.00 O ATOM 127 CB HIS A 9 8.443 1.279 5.331 1.00 0.00 C ATOM 128 CG HIS A 9 9.406 2.374 4.962 1.00 0.00 C ATOM 129 ND1 HIS A 9 8.978 3.647 4.626 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.778 2.409 4.889 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.069 4.393 4.373 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.193 3.686 4.519 1.00 0.00 N ATOM 0 H HIS A 9 6.288 2.046 3.987 1.00 0.00 H new ATOM 0 HA HIS A 9 8.661 0.342 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.644 1.680 5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.954 0.516 5.919 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.434 1.574 5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.040 5.434 4.087 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.151 4.012 4.388 1.00 0.00 H new ATOM 140 N GLY A 10 7.319 -1.712 3.866 1.00 0.00 N ATOM 141 CA GLY A 10 6.551 -2.924 4.155 1.00 0.00 C ATOM 142 C GLY A 10 7.204 -3.765 5.236 1.00 0.00 C ATOM 143 O GLY A 10 8.427 -3.907 5.284 1.00 0.00 O ATOM 0 H GLY A 10 8.086 -1.840 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.544 -2.649 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.452 -3.516 3.245 1.00 0.00 H new ATOM 147 N GLN A 11 6.366 -4.335 6.099 1.00 0.00 N ATOM 148 CA GLN A 11 6.843 -5.192 7.188 1.00 0.00 C ATOM 149 C GLN A 11 5.896 -6.390 7.334 1.00 0.00 C ATOM 150 O GLN A 11 4.679 -6.210 7.310 1.00 0.00 O ATOM 151 CB GLN A 11 6.878 -4.407 8.503 1.00 0.00 C ATOM 152 CG GLN A 11 7.855 -3.234 8.381 1.00 0.00 C ATOM 153 CD GLN A 11 7.808 -2.383 9.643 1.00 0.00 C ATOM 154 OE1 GLN A 11 6.770 -1.808 9.968 1.00 0.00 O ATOM 155 NE2 GLN A 11 8.879 -2.267 10.381 1.00 0.00 N ATOM 0 H GLN A 11 5.353 -4.220 6.067 1.00 0.00 H new ATOM 0 HA GLN A 11 7.850 -5.538 6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.881 -4.038 8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.182 -5.062 9.320 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.867 -3.608 8.222 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.600 -2.626 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.739 -2.744 10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.856 -1.699 11.228 1.00 0.00 H new ATOM 164 N PRO A 12 6.400 -7.601 7.468 1.00 0.00 N ATOM 165 CA PRO A 12 5.525 -8.804 7.598 1.00 0.00 C ATOM 166 C PRO A 12 4.904 -8.927 8.986 1.00 0.00 C ATOM 167 O PRO A 12 5.456 -9.590 9.864 1.00 0.00 O ATOM 168 CB PRO A 12 6.488 -9.962 7.323 1.00 0.00 C ATOM 169 CG PRO A 12 7.802 -9.470 7.830 1.00 0.00 C ATOM 170 CD PRO A 12 7.830 -7.971 7.518 1.00 0.00 C ATOM 0 HA PRO A 12 4.673 -8.771 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.177 -10.871 7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.534 -10.198 6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.901 -9.649 8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.629 -9.987 7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.363 -7.411 8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.330 -7.768 6.571 1.00 0.00 H new ATOM 178 N SER A 13 3.747 -8.304 9.172 1.00 0.00 N ATOM 179 CA SER A 13 3.062 -8.376 10.452 1.00 0.00 C ATOM 180 C SER A 13 2.561 -9.798 10.679 1.00 0.00 C ATOM 181 O SER A 13 2.780 -10.676 9.846 1.00 0.00 O ATOM 182 CB SER A 13 1.884 -7.399 10.484 1.00 0.00 C ATOM 183 OG SER A 13 0.730 -8.046 9.973 1.00 0.00 O ATOM 0 H SER A 13 3.270 -7.750 8.461 1.00 0.00 H new ATOM 0 HA SER A 13 3.760 -8.103 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.704 -7.060 11.504 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.113 -6.514 9.890 1.00 0.00 H new ATOM 0 HG SER A 13 0.949 -8.482 9.123 1.00 0.00 H new ATOM 189 N SER A 14 1.898 -10.027 11.803 1.00 0.00 N ATOM 190 CA SER A 14 1.390 -11.359 12.105 1.00 0.00 C ATOM 191 C SER A 14 0.488 -11.857 10.976 1.00 0.00 C ATOM 192 O SER A 14 -0.553 -11.266 10.692 1.00 0.00 O ATOM 193 CB SER A 14 0.600 -11.327 13.413 1.00 0.00 C ATOM 194 OG SER A 14 1.329 -10.591 14.386 1.00 0.00 O ATOM 0 H SER A 14 1.701 -9.321 12.512 1.00 0.00 H new ATOM 0 HA SER A 14 2.236 -12.039 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.376 -10.869 13.250 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.421 -12.342 13.768 1.00 0.00 H new ATOM 0 HG SER A 14 0.823 -10.568 15.225 1.00 0.00 H new ATOM 200 N GLY A 15 0.891 -12.960 10.343 1.00 0.00 N ATOM 201 CA GLY A 15 0.115 -13.550 9.247 1.00 0.00 C ATOM 202 C GLY A 15 0.673 -13.154 7.883 1.00 0.00 C ATOM 203 O GLY A 15 1.790 -12.646 7.782 1.00 0.00 O ATOM 0 H GLY A 15 1.749 -13.463 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.120 -14.636 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.924 -13.229 9.322 1.00 0.00 H new ATOM 207 N LYS A 16 -0.108 -13.406 6.833 1.00 0.00 N ATOM 208 CA LYS A 16 0.323 -13.085 5.475 1.00 0.00 C ATOM 209 C LYS A 16 0.185 -11.593 5.219 1.00 0.00 C ATOM 210 O LYS A 16 0.587 -11.106 4.169 1.00 0.00 O ATOM 211 CB LYS A 16 -0.511 -13.875 4.441 1.00 0.00 C ATOM 212 CG LYS A 16 -0.927 -15.225 5.036 1.00 0.00 C ATOM 213 CD LYS A 16 -1.325 -16.208 3.927 1.00 0.00 C ATOM 214 CE LYS A 16 -2.642 -15.773 3.282 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.174 -16.886 2.446 1.00 0.00 N ATOM 0 H LYS A 16 -1.035 -13.828 6.896 1.00 0.00 H new ATOM 0 HA LYS A 16 1.370 -13.369 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.395 -13.303 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.071 -14.031 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.104 -15.640 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.763 -15.084 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.540 -16.253 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.428 -17.211 4.340 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.365 -15.504 4.052 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.484 -14.886 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.021 -16.669 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.680 -17.769 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.192 -16.999 2.625 1.00 0.00 H new ATOM 229 N SER A 17 -0.390 -10.877 6.175 1.00 0.00 N ATOM 230 CA SER A 17 -0.577 -9.444 6.023 1.00 0.00 C ATOM 231 C SER A 17 0.765 -8.713 6.007 1.00 0.00 C ATOM 232 O SER A 17 1.737 -9.161 6.617 1.00 0.00 O ATOM 233 CB SER A 17 -1.442 -8.907 7.162 1.00 0.00 C ATOM 234 OG SER A 17 -0.714 -8.993 8.378 1.00 0.00 O ATOM 0 H SER A 17 -0.732 -11.262 7.056 1.00 0.00 H new ATOM 0 HA SER A 17 -1.077 -9.267 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.724 -7.873 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.366 -9.481 7.235 1.00 0.00 H new ATOM 0 HG SER A 17 -0.580 -8.094 8.744 1.00 0.00 H new ATOM 240 N PHE A 18 0.807 -7.578 5.307 1.00 0.00 N ATOM 241 CA PHE A 18 2.028 -6.769 5.210 1.00 0.00 C ATOM 242 C PHE A 18 1.711 -5.319 5.580 1.00 0.00 C ATOM 243 O PHE A 18 0.954 -4.645 4.881 1.00 0.00 O ATOM 244 CB PHE A 18 2.581 -6.849 3.758 1.00 0.00 C ATOM 245 CG PHE A 18 4.063 -7.192 3.742 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.481 -8.520 3.898 1.00 0.00 C ATOM 247 CD2 PHE A 18 5.015 -6.183 3.551 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.847 -8.830 3.865 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.374 -6.497 3.519 1.00 0.00 C ATOM 250 CZ PHE A 18 6.791 -7.811 3.673 1.00 0.00 C ATOM 0 H PHE A 18 0.010 -7.196 4.798 1.00 0.00 H new ATOM 0 HA PHE A 18 2.782 -7.150 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.027 -7.602 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.422 -5.896 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.752 -9.303 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.696 -5.158 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.172 -9.853 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.104 -5.714 3.374 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.844 -8.050 3.645 1.00 0.00 H new ATOM 260 N LYS A 19 2.297 -4.844 6.673 1.00 0.00 N ATOM 261 CA LYS A 19 2.068 -3.474 7.113 1.00 0.00 C ATOM 262 C LYS A 19 2.877 -2.503 6.261 1.00 0.00 C ATOM 263 O LYS A 19 4.101 -2.442 6.372 1.00 0.00 O ATOM 264 CB LYS A 19 2.484 -3.315 8.582 1.00 0.00 C ATOM 265 CG LYS A 19 2.194 -1.868 9.082 1.00 0.00 C ATOM 266 CD LYS A 19 3.423 -1.293 9.797 1.00 0.00 C ATOM 267 CE LYS A 19 3.172 0.176 10.135 1.00 0.00 C ATOM 268 NZ LYS A 19 4.379 0.751 10.793 1.00 0.00 N ATOM 0 H LYS A 19 2.929 -5.382 7.266 1.00 0.00 H new ATOM 0 HA LYS A 19 1.006 -3.253 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.943 -4.033 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.546 -3.537 8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.925 -1.232 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.341 -1.875 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.625 -1.858 10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.304 -1.386 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.940 0.734 9.228 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.309 0.266 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.206 1.751 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.581 0.225 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.193 0.679 10.149 1.00 0.00 H new ATOM 282 N LEU A 20 2.184 -1.733 5.424 1.00 0.00 N ATOM 283 CA LEU A 20 2.850 -0.752 4.569 1.00 0.00 C ATOM 284 C LEU A 20 2.632 0.643 5.142 1.00 0.00 C ATOM 285 O LEU A 20 1.565 1.229 4.975 1.00 0.00 O ATOM 286 CB LEU A 20 2.283 -0.813 3.140 1.00 0.00 C ATOM 287 CG LEU A 20 1.979 -2.266 2.766 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.346 -2.321 1.376 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.274 -3.074 2.778 1.00 0.00 C ATOM 0 H LEU A 20 1.170 -1.768 5.320 1.00 0.00 H new ATOM 0 HA LEU A 20 3.916 -0.978 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.376 -0.213 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.999 -0.389 2.436 1.00 0.00 H new ATOM 0 HG LEU A 20 1.282 -2.689 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.132 -3.357 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.419 -1.747 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.035 -1.898 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.060 -4.109 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.973 -2.651 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.715 -3.039 3.774 1.00 0.00 H new ATOM 301 N SER A 21 3.640 1.165 5.822 1.00 0.00 N ATOM 302 CA SER A 21 3.533 2.484 6.418 1.00 0.00 C ATOM 303 C SER A 21 3.565 3.562 5.348 1.00 0.00 C ATOM 304 O SER A 21 4.532 3.665 4.593 1.00 0.00 O ATOM 305 CB SER A 21 4.690 2.714 7.393 1.00 0.00 C ATOM 306 OG SER A 21 4.655 4.060 7.846 1.00 0.00 O ATOM 0 H SER A 21 4.534 0.699 5.974 1.00 0.00 H new ATOM 0 HA SER A 21 2.584 2.539 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.611 2.030 8.238 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.641 2.507 6.903 1.00 0.00 H new ATOM 0 HG SER A 21 5.393 4.214 8.472 1.00 0.00 H new ATOM 312 N ILE A 22 2.524 4.394 5.299 1.00 0.00 N ATOM 313 CA ILE A 22 2.493 5.478 4.331 1.00 0.00 C ATOM 314 C ILE A 22 3.202 6.671 4.975 1.00 0.00 C ATOM 315 O ILE A 22 2.718 7.218 5.965 1.00 0.00 O ATOM 316 CB ILE A 22 1.031 5.873 3.990 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.078 4.667 4.084 1.00 0.00 C ATOM 318 CG2 ILE A 22 0.964 6.447 2.572 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.423 3.582 3.064 1.00 0.00 C ATOM 0 H ILE A 22 1.708 4.337 5.908 1.00 0.00 H new ATOM 0 HA ILE A 22 2.981 5.170 3.406 1.00 0.00 H new ATOM 0 HB ILE A 22 0.716 6.621 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.123 4.247 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.947 5.002 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.065 6.722 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.600 7.330 2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.309 5.698 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.275 2.751 3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.352 3.993 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.438 3.227 3.240 1.00 0.00 H new ATOM 331 N THR A 23 4.352 7.064 4.438 1.00 0.00 N ATOM 332 CA THR A 23 5.095 8.184 5.017 1.00 0.00 C ATOM 333 C THR A 23 4.594 9.508 4.451 1.00 0.00 C ATOM 334 O THR A 23 4.517 9.686 3.239 1.00 0.00 O ATOM 335 CB THR A 23 6.593 8.005 4.741 1.00 0.00 C ATOM 336 OG1 THR A 23 7.082 6.925 5.525 1.00 0.00 O ATOM 337 CG2 THR A 23 7.356 9.282 5.105 1.00 0.00 C ATOM 0 H THR A 23 4.785 6.636 3.620 1.00 0.00 H new ATOM 0 HA THR A 23 4.935 8.199 6.095 1.00 0.00 H new ATOM 0 HB THR A 23 6.740 7.796 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.039 6.803 5.353 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.418 9.141 4.904 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.981 10.113 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.213 9.502 6.163 1.00 0.00 H new ATOM 345 N LYS A 24 4.244 10.432 5.343 1.00 0.00 N ATOM 346 CA LYS A 24 3.738 11.738 4.931 1.00 0.00 C ATOM 347 C LYS A 24 4.591 12.287 3.794 1.00 0.00 C ATOM 348 O LYS A 24 5.717 12.736 4.004 1.00 0.00 O ATOM 349 CB LYS A 24 3.765 12.709 6.127 1.00 0.00 C ATOM 350 CG LYS A 24 2.498 12.551 6.987 1.00 0.00 C ATOM 351 CD LYS A 24 2.461 11.172 7.670 1.00 0.00 C ATOM 352 CE LYS A 24 3.662 10.999 8.612 1.00 0.00 C ATOM 353 NZ LYS A 24 3.314 10.020 9.678 1.00 0.00 N ATOM 0 H LYS A 24 4.301 10.301 6.353 1.00 0.00 H new ATOM 0 HA LYS A 24 2.710 11.631 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.649 12.519 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.840 13.735 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.468 13.336 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.613 12.675 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.533 11.064 8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.469 10.386 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.531 10.651 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.931 11.957 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.131 9.888 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.507 10.378 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.061 9.110 9.244 1.00 0.00 H new ATOM 367 N GLN A 25 4.034 12.241 2.594 1.00 0.00 N ATOM 368 CA GLN A 25 4.734 12.729 1.416 1.00 0.00 C ATOM 369 C GLN A 25 4.624 14.246 1.321 1.00 0.00 C ATOM 370 O GLN A 25 3.725 14.849 1.904 1.00 0.00 O ATOM 371 CB GLN A 25 4.134 12.091 0.161 1.00 0.00 C ATOM 372 CG GLN A 25 4.377 10.583 0.194 1.00 0.00 C ATOM 373 CD GLN A 25 3.838 9.934 -1.077 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.245 10.295 -2.181 1.00 0.00 O ATOM 375 NE2 GLN A 25 2.935 8.997 -0.987 1.00 0.00 N ATOM 0 H GLN A 25 3.101 11.872 2.410 1.00 0.00 H new ATOM 0 HA GLN A 25 5.787 12.458 1.497 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.065 12.297 0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.585 12.524 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.444 10.381 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.891 10.148 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.599 8.699 -0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.565 8.562 -1.832 1.00 0.00 H new ATOM 384 N ASP A 26 5.536 14.855 0.572 1.00 0.00 N ATOM 385 CA ASP A 26 5.513 16.301 0.399 1.00 0.00 C ATOM 386 C ASP A 26 4.440 16.653 -0.620 1.00 0.00 C ATOM 387 O ASP A 26 4.735 16.889 -1.791 1.00 0.00 O ATOM 388 CB ASP A 26 6.877 16.792 -0.093 1.00 0.00 C ATOM 389 CG ASP A 26 7.978 16.261 0.820 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.414 15.143 0.600 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.364 16.977 1.729 1.00 0.00 O ATOM 0 H ASP A 26 6.291 14.377 0.081 1.00 0.00 H new ATOM 0 HA ASP A 26 5.293 16.782 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.047 16.456 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.898 17.882 -0.107 1.00 0.00 H new ATOM 396 N ASP A 27 3.186 16.649 -0.170 1.00 0.00 N ATOM 397 CA ASP A 27 2.059 16.931 -1.055 1.00 0.00 C ATOM 398 C ASP A 27 2.390 18.043 -2.038 1.00 0.00 C ATOM 399 O ASP A 27 3.339 18.801 -1.844 1.00 0.00 O ATOM 400 CB ASP A 27 0.818 17.316 -0.235 1.00 0.00 C ATOM 401 CG ASP A 27 -0.406 17.371 -1.141 1.00 0.00 C ATOM 402 OD1 ASP A 27 -0.914 16.315 -1.479 1.00 0.00 O ATOM 403 OD2 ASP A 27 -0.814 18.466 -1.489 1.00 0.00 O ATOM 0 H ASP A 27 2.927 16.455 0.797 1.00 0.00 H new ATOM 0 HA ASP A 27 1.850 16.024 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.659 16.590 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.972 18.284 0.242 1.00 0.00 H new ATOM 408 N GLY A 28 1.597 18.124 -3.102 1.00 0.00 N ATOM 409 CA GLY A 28 1.811 19.131 -4.125 1.00 0.00 C ATOM 410 C GLY A 28 1.873 20.521 -3.501 1.00 0.00 C ATOM 411 O GLY A 28 2.721 21.337 -3.864 1.00 0.00 O ATOM 0 H GLY A 28 0.805 17.505 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.738 18.924 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.005 19.090 -4.858 1.00 0.00 H new ATOM 415 N GLY A 29 0.977 20.778 -2.554 1.00 0.00 N ATOM 416 CA GLY A 29 0.952 22.073 -1.879 1.00 0.00 C ATOM 417 C GLY A 29 -0.317 22.258 -1.047 1.00 0.00 C ATOM 418 O GLY A 29 -0.723 23.388 -0.775 1.00 0.00 O ATOM 0 H GLY A 29 0.267 20.117 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.826 22.163 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.020 22.870 -2.620 1.00 0.00 H new ATOM 422 N ALA A 30 -0.936 21.153 -0.633 1.00 0.00 N ATOM 423 CA ALA A 30 -2.148 21.223 0.177 1.00 0.00 C ATOM 424 C ALA A 30 -2.260 19.959 1.029 1.00 0.00 C ATOM 425 O ALA A 30 -1.757 18.905 0.641 1.00 0.00 O ATOM 426 CB ALA A 30 -3.377 21.364 -0.731 1.00 0.00 C ATOM 0 H ALA A 30 -0.620 20.206 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.099 22.093 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.278 21.416 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.289 22.274 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.439 20.502 -1.396 1.00 0.00 H new ATOM 432 N PRO A 31 -2.888 20.033 2.178 1.00 0.00 N ATOM 433 CA PRO A 31 -3.029 18.849 3.070 1.00 0.00 C ATOM 434 C PRO A 31 -3.962 17.804 2.467 1.00 0.00 C ATOM 435 O PRO A 31 -4.946 18.141 1.810 1.00 0.00 O ATOM 436 CB PRO A 31 -3.587 19.433 4.376 1.00 0.00 C ATOM 437 CG PRO A 31 -4.298 20.685 3.963 1.00 0.00 C ATOM 438 CD PRO A 31 -3.535 21.229 2.751 1.00 0.00 C ATOM 0 HA PRO A 31 -2.086 18.324 3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.267 18.734 4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.788 19.648 5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.337 20.477 3.708 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.309 21.412 4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.207 21.703 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.801 21.980 3.044 1.00 0.00 H new ATOM 446 N ILE A 32 -3.633 16.536 2.684 1.00 0.00 N ATOM 447 CA ILE A 32 -4.434 15.441 2.149 1.00 0.00 C ATOM 448 C ILE A 32 -5.534 15.014 3.119 1.00 0.00 C ATOM 449 O ILE A 32 -5.301 14.861 4.318 1.00 0.00 O ATOM 450 CB ILE A 32 -3.533 14.240 1.849 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.493 14.617 0.744 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.414 13.051 1.390 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.065 14.333 1.223 1.00 0.00 C ATOM 0 H ILE A 32 -2.820 16.241 3.225 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.908 15.796 1.234 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.986 13.953 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.697 14.049 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.593 15.672 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.780 12.191 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.118 12.793 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.964 13.331 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.358 14.603 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.857 14.921 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.963 13.273 1.455 1.00 0.00 H new ATOM 465 N LEU A 33 -6.727 14.813 2.574 1.00 0.00 N ATOM 466 CA LEU A 33 -7.870 14.389 3.372 1.00 0.00 C ATOM 467 C LEU A 33 -7.842 12.874 3.596 1.00 0.00 C ATOM 468 O LEU A 33 -7.996 12.403 4.723 1.00 0.00 O ATOM 469 CB LEU A 33 -9.161 14.776 2.647 1.00 0.00 C ATOM 470 CG LEU A 33 -9.314 16.306 2.629 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.375 16.691 1.592 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.747 16.828 4.011 1.00 0.00 C ATOM 0 H LEU A 33 -6.928 14.937 1.582 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.825 14.883 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.145 14.392 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.018 14.322 3.145 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.353 16.751 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.489 17.775 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.065 16.342 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.327 16.230 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.849 17.913 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.703 16.383 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.996 16.559 4.753 1.00 0.00 H new ATOM 484 N GLU A 34 -7.649 12.115 2.514 1.00 0.00 N ATOM 485 CA GLU A 34 -7.611 10.649 2.596 1.00 0.00 C ATOM 486 C GLU A 34 -6.646 10.060 1.585 1.00 0.00 C ATOM 487 O GLU A 34 -6.271 10.707 0.607 1.00 0.00 O ATOM 488 CB GLU A 34 -9.004 10.065 2.338 1.00 0.00 C ATOM 489 CG GLU A 34 -9.875 10.294 3.561 1.00 0.00 C ATOM 490 CD GLU A 34 -11.287 9.772 3.313 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.499 9.161 2.279 1.00 0.00 O ATOM 492 OE2 GLU A 34 -12.137 9.996 4.160 1.00 0.00 O ATOM 0 H GLU A 34 -7.517 12.488 1.574 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.274 10.391 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.453 10.536 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.931 8.999 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.440 9.790 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.910 11.358 3.797 1.00 0.00 H new ATOM 499 N TYR A 35 -6.261 8.805 1.820 1.00 0.00 N ATOM 500 CA TYR A 35 -5.353 8.103 0.917 1.00 0.00 C ATOM 501 C TYR A 35 -6.097 7.015 0.169 1.00 0.00 C ATOM 502 O TYR A 35 -6.623 6.080 0.772 1.00 0.00 O ATOM 503 CB TYR A 35 -4.208 7.442 1.703 1.00 0.00 C ATOM 504 CG TYR A 35 -3.242 8.446 2.323 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.317 9.836 2.084 1.00 0.00 C ATOM 506 CD2 TYR A 35 -2.250 7.952 3.171 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.410 10.700 2.700 1.00 0.00 C ATOM 508 CE2 TYR A 35 -1.343 8.827 3.782 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.426 10.197 3.550 1.00 0.00 C ATOM 510 OH TYR A 35 -0.530 11.052 4.159 1.00 0.00 O ATOM 0 H TYR A 35 -6.563 8.257 2.625 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.948 8.836 0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.630 6.820 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.655 6.780 1.037 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.076 10.230 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.181 6.890 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.471 11.763 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.576 8.437 4.435 1.00 0.00 H new ATOM 0 HH TYR A 35 0.087 10.535 4.718 1.00 0.00 H new ATOM 520 N ILE A 36 -6.104 7.119 -1.153 1.00 0.00 N ATOM 521 CA ILE A 36 -6.755 6.115 -1.979 1.00 0.00 C ATOM 522 C ILE A 36 -5.719 5.086 -2.383 1.00 0.00 C ATOM 523 O ILE A 36 -4.837 5.358 -3.197 1.00 0.00 O ATOM 524 CB ILE A 36 -7.346 6.762 -3.225 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.375 7.813 -2.808 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.026 5.686 -4.079 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.810 8.616 -4.037 1.00 0.00 C ATOM 0 H ILE A 36 -5.670 7.882 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.562 5.642 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.555 7.239 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.239 7.330 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.948 8.478 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.451 6.145 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.292 4.935 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.820 5.212 -3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.544 9.366 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.943 9.110 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.254 7.944 -4.772 1.00 0.00 H new ATOM 539 N VAL A 37 -5.811 3.904 -1.788 1.00 0.00 N ATOM 540 CA VAL A 37 -4.861 2.838 -2.061 1.00 0.00 C ATOM 541 C VAL A 37 -5.507 1.727 -2.859 1.00 0.00 C ATOM 542 O VAL A 37 -6.546 1.190 -2.475 1.00 0.00 O ATOM 543 CB VAL A 37 -4.342 2.297 -0.740 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.219 1.301 -1.006 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.832 3.478 0.094 1.00 0.00 C ATOM 0 H VAL A 37 -6.536 3.661 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.037 3.237 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.134 1.782 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.846 0.912 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.598 0.478 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.409 1.800 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.454 3.113 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.031 3.984 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.649 4.178 0.271 1.00 0.00 H new ATOM 555 N LYS A 38 -4.871 1.379 -3.972 1.00 0.00 N ATOM 556 CA LYS A 38 -5.371 0.315 -4.833 1.00 0.00 C ATOM 557 C LYS A 38 -4.274 -0.718 -5.037 1.00 0.00 C ATOM 558 O LYS A 38 -3.148 -0.371 -5.384 1.00 0.00 O ATOM 559 CB LYS A 38 -5.799 0.889 -6.187 1.00 0.00 C ATOM 560 CG LYS A 38 -6.958 1.868 -5.989 1.00 0.00 C ATOM 561 CD LYS A 38 -7.345 2.481 -7.340 1.00 0.00 C ATOM 562 CE LYS A 38 -8.096 1.459 -8.199 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.878 2.172 -9.248 1.00 0.00 N ATOM 0 H LYS A 38 -4.010 1.818 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.235 -0.154 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.958 1.397 -6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.101 0.083 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.814 1.352 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.670 2.653 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.970 3.360 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.450 2.816 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.391 0.769 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.762 0.863 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.388 1.479 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.561 2.814 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.232 2.722 -9.849 1.00 0.00 H new ATOM 577 N TYR A 39 -4.598 -1.989 -4.812 1.00 0.00 N ATOM 578 CA TYR A 39 -3.611 -3.061 -4.969 1.00 0.00 C ATOM 579 C TYR A 39 -4.193 -4.224 -5.773 1.00 0.00 C ATOM 580 O TYR A 39 -5.393 -4.491 -5.722 1.00 0.00 O ATOM 581 CB TYR A 39 -3.166 -3.559 -3.592 1.00 0.00 C ATOM 582 CG TYR A 39 -4.359 -4.075 -2.822 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.196 -3.180 -2.145 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.625 -5.449 -2.780 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.301 -3.659 -1.429 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.728 -5.927 -2.063 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.567 -5.032 -1.388 1.00 0.00 C ATOM 588 OH TYR A 39 -7.655 -5.505 -0.685 1.00 0.00 O ATOM 0 H TYR A 39 -5.525 -2.302 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.753 -2.662 -5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.424 -4.350 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.688 -2.750 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.990 -2.120 -2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.979 -6.140 -3.301 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.948 -2.968 -0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.932 -6.987 -2.030 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.694 -6.481 -0.761 1.00 0.00 H new ATOM 598 N ARG A 40 -3.324 -4.904 -6.519 1.00 0.00 N ATOM 599 CA ARG A 40 -3.739 -6.039 -7.347 1.00 0.00 C ATOM 600 C ARG A 40 -2.651 -7.110 -7.381 1.00 0.00 C ATOM 601 O ARG A 40 -1.508 -6.854 -7.007 1.00 0.00 O ATOM 602 CB ARG A 40 -3.992 -5.571 -8.781 1.00 0.00 C ATOM 603 CG ARG A 40 -2.733 -4.861 -9.336 1.00 0.00 C ATOM 604 CD ARG A 40 -2.548 -5.165 -10.826 1.00 0.00 C ATOM 605 NE ARG A 40 -1.251 -4.662 -11.268 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.974 -4.481 -12.555 1.00 0.00 C ATOM 607 NH1 ARG A 40 -1.875 -4.739 -13.459 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.201 -4.039 -12.911 1.00 0.00 N ATOM 0 H ARG A 40 -2.328 -4.690 -6.568 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.649 -6.455 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.246 -6.423 -9.411 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.844 -4.891 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.822 -3.785 -9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.853 -5.187 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.612 -6.239 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.347 -4.701 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.539 -4.444 -10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.795 -5.080 -13.180 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.661 -4.600 -14.447 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.905 -3.833 -12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.416 -3.899 -13.898 1.00 0.00 H new ATOM 622 N SER A 41 -3.005 -8.289 -7.877 1.00 0.00 N ATOM 623 CA SER A 41 -2.042 -9.378 -7.998 1.00 0.00 C ATOM 624 C SER A 41 -1.126 -9.117 -9.190 1.00 0.00 C ATOM 625 O SER A 41 -1.568 -8.597 -10.215 1.00 0.00 O ATOM 626 CB SER A 41 -2.776 -10.705 -8.202 1.00 0.00 C ATOM 627 OG SER A 41 -3.856 -10.790 -7.282 1.00 0.00 O ATOM 0 H SER A 41 -3.945 -8.516 -8.200 1.00 0.00 H new ATOM 0 HA SER A 41 -1.450 -9.433 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.148 -10.775 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.091 -11.540 -8.054 1.00 0.00 H new ATOM 0 HG SER A 41 -4.330 -11.638 -7.411 1.00 0.00 H new ATOM 633 N LYS A 42 0.144 -9.479 -9.061 1.00 0.00 N ATOM 634 CA LYS A 42 1.089 -9.277 -10.153 1.00 0.00 C ATOM 635 C LYS A 42 0.703 -10.116 -11.369 1.00 0.00 C ATOM 636 O LYS A 42 1.391 -10.094 -12.390 1.00 0.00 O ATOM 637 CB LYS A 42 2.520 -9.625 -9.711 1.00 0.00 C ATOM 638 CG LYS A 42 3.057 -8.520 -8.798 1.00 0.00 C ATOM 639 CD LYS A 42 4.543 -8.735 -8.524 1.00 0.00 C ATOM 640 CE LYS A 42 5.057 -7.595 -7.642 1.00 0.00 C ATOM 641 NZ LYS A 42 6.517 -7.775 -7.400 1.00 0.00 N ATOM 0 H LYS A 42 0.540 -9.908 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 42 1.055 -8.223 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.527 -10.580 -9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.164 -9.736 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.903 -7.547 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.504 -8.514 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.700 -9.694 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.098 -8.765 -9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.873 -6.635 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.519 -7.583 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.868 -7.001 -6.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.680 -8.684 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.023 -7.766 -8.308 1.00 0.00 H new ATOM 655 N ASP A 43 -0.396 -10.864 -11.251 1.00 0.00 N ATOM 656 CA ASP A 43 -0.868 -11.719 -12.349 1.00 0.00 C ATOM 657 C ASP A 43 -2.296 -11.356 -12.764 1.00 0.00 C ATOM 658 O ASP A 43 -2.793 -11.840 -13.783 1.00 0.00 O ATOM 659 CB ASP A 43 -0.817 -13.182 -11.905 1.00 0.00 C ATOM 660 CG ASP A 43 0.621 -13.569 -11.579 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.501 -13.187 -12.332 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.824 -14.233 -10.575 1.00 0.00 O ATOM 0 H ASP A 43 -0.975 -10.897 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.218 -11.565 -13.210 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.451 -13.329 -11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.207 -13.825 -12.693 1.00 0.00 H new ATOM 667 N LYS A 44 -2.955 -10.503 -11.977 1.00 0.00 N ATOM 668 CA LYS A 44 -4.333 -10.084 -12.277 1.00 0.00 C ATOM 669 C LYS A 44 -4.410 -8.564 -12.399 1.00 0.00 C ATOM 670 O LYS A 44 -4.265 -7.845 -11.410 1.00 0.00 O ATOM 671 CB LYS A 44 -5.284 -10.547 -11.160 1.00 0.00 C ATOM 672 CG LYS A 44 -5.088 -12.060 -10.849 1.00 0.00 C ATOM 673 CD LYS A 44 -6.234 -12.897 -11.441 1.00 0.00 C ATOM 674 CE LYS A 44 -6.148 -12.897 -12.969 1.00 0.00 C ATOM 675 NZ LYS A 44 -7.002 -13.992 -13.510 1.00 0.00 N ATOM 0 H LYS A 44 -2.563 -10.089 -11.131 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.631 -10.539 -13.222 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.104 -9.961 -10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.316 -10.365 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.136 -12.399 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.043 -12.210 -9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.180 -13.919 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.194 -12.491 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.477 -11.935 -13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.115 -13.035 -13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.946 -13.995 -14.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.669 -14.906 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.988 -13.840 -13.217 1.00 0.00 H new ATOM 689 N GLU A 45 -4.635 -8.077 -13.622 1.00 0.00 N ATOM 690 CA GLU A 45 -4.725 -6.633 -13.878 1.00 0.00 C ATOM 691 C GLU A 45 -6.129 -6.244 -14.343 1.00 0.00 C ATOM 692 O GLU A 45 -6.443 -5.062 -14.474 1.00 0.00 O ATOM 693 CB GLU A 45 -3.699 -6.237 -14.945 1.00 0.00 C ATOM 694 CG GLU A 45 -4.104 -6.816 -16.305 1.00 0.00 C ATOM 695 CD GLU A 45 -2.975 -6.603 -17.309 1.00 0.00 C ATOM 696 OE1 GLU A 45 -1.887 -6.253 -16.882 1.00 0.00 O ATOM 697 OE2 GLU A 45 -3.214 -6.798 -18.490 1.00 0.00 O ATOM 0 H GLU A 45 -4.758 -8.659 -14.451 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.514 -6.104 -12.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.630 -5.151 -15.009 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.711 -6.603 -14.665 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.322 -7.880 -16.208 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.015 -6.335 -16.660 1.00 0.00 H new ATOM 704 N ASP A 46 -6.960 -7.245 -14.605 1.00 0.00 N ATOM 705 CA ASP A 46 -8.320 -6.995 -15.071 1.00 0.00 C ATOM 706 C ASP A 46 -9.168 -6.323 -13.992 1.00 0.00 C ATOM 707 O ASP A 46 -10.302 -5.920 -14.249 1.00 0.00 O ATOM 708 CB ASP A 46 -8.976 -8.316 -15.481 1.00 0.00 C ATOM 709 CG ASP A 46 -10.318 -8.046 -16.152 1.00 0.00 C ATOM 710 OD1 ASP A 46 -10.563 -6.907 -16.509 1.00 0.00 O ATOM 711 OD2 ASP A 46 -11.082 -8.986 -16.301 1.00 0.00 O ATOM 0 H ASP A 46 -6.720 -8.231 -14.504 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.262 -6.323 -15.927 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.322 -8.860 -16.163 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.119 -8.948 -14.604 1.00 0.00 H new ATOM 716 N GLN A 47 -8.624 -6.215 -12.782 1.00 0.00 N ATOM 717 CA GLN A 47 -9.369 -5.600 -11.686 1.00 0.00 C ATOM 718 C GLN A 47 -8.439 -5.159 -10.555 1.00 0.00 C ATOM 719 O GLN A 47 -7.641 -5.949 -10.051 1.00 0.00 O ATOM 720 CB GLN A 47 -10.397 -6.600 -11.144 1.00 0.00 C ATOM 721 CG GLN A 47 -9.759 -7.991 -11.064 1.00 0.00 C ATOM 722 CD GLN A 47 -10.736 -8.988 -10.451 1.00 0.00 C ATOM 723 OE1 GLN A 47 -10.693 -9.244 -9.249 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.624 -9.566 -11.214 1.00 0.00 N ATOM 0 H GLN A 47 -7.688 -6.538 -12.538 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.874 -4.715 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.740 -6.288 -10.158 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.273 -6.626 -11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.468 -8.323 -12.061 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.850 -7.947 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.657 -9.352 -12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.285 -10.232 -10.813 1.00 0.00 H new ATOM 733 N TRP A 48 -8.577 -3.897 -10.141 1.00 0.00 N ATOM 734 CA TRP A 48 -7.777 -3.347 -9.043 1.00 0.00 C ATOM 735 C TRP A 48 -8.658 -3.171 -7.806 1.00 0.00 C ATOM 736 O TRP A 48 -9.718 -2.549 -7.871 1.00 0.00 O ATOM 737 CB TRP A 48 -7.195 -1.977 -9.435 1.00 0.00 C ATOM 738 CG TRP A 48 -5.967 -2.123 -10.283 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.948 -2.494 -11.585 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.581 -1.872 -9.910 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.635 -2.485 -12.030 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.756 -2.106 -11.034 1.00 0.00 C ATOM 743 CE3 TRP A 48 -3.967 -1.466 -8.713 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.368 -1.944 -10.969 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.577 -1.299 -8.643 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.777 -1.535 -9.770 1.00 0.00 C ATOM 0 H TRP A 48 -9.237 -3.235 -10.550 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.961 -4.038 -8.830 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.947 -1.403 -9.977 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.952 -1.413 -8.535 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.812 -2.754 -12.178 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.352 -2.729 -12.979 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.572 -1.281 -7.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.757 -2.134 -11.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.120 -0.987 -7.716 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.707 -1.401 -9.712 1.00 0.00 H new ATOM 757 N LEU A 49 -8.201 -3.700 -6.680 1.00 0.00 N ATOM 758 CA LEU A 49 -8.944 -3.575 -5.428 1.00 0.00 C ATOM 759 C LEU A 49 -8.739 -2.167 -4.873 1.00 0.00 C ATOM 760 O LEU A 49 -7.780 -1.507 -5.246 1.00 0.00 O ATOM 761 CB LEU A 49 -8.442 -4.621 -4.429 1.00 0.00 C ATOM 762 CG LEU A 49 -8.546 -6.022 -5.053 1.00 0.00 C ATOM 763 CD1 LEU A 49 -7.956 -7.056 -4.089 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.017 -6.367 -5.342 1.00 0.00 C ATOM 0 H LEU A 49 -7.325 -4.217 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.007 -3.743 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.408 -4.410 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.031 -4.575 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.989 -6.035 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.030 -8.049 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.909 -6.820 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.509 -7.035 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.077 -7.362 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.585 -6.348 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.433 -5.636 -6.036 1.00 0.00 H new ATOM 776 N GLU A 50 -9.649 -1.693 -4.007 1.00 0.00 N ATOM 777 CA GLU A 50 -9.533 -0.332 -3.442 1.00 0.00 C ATOM 778 C GLU A 50 -9.464 -0.353 -1.914 1.00 0.00 C ATOM 779 O GLU A 50 -10.038 -1.224 -1.262 1.00 0.00 O ATOM 780 CB GLU A 50 -10.713 0.533 -3.902 1.00 0.00 C ATOM 781 CG GLU A 50 -12.041 -0.057 -3.415 1.00 0.00 C ATOM 782 CD GLU A 50 -12.337 -1.365 -4.139 1.00 0.00 C ATOM 783 OE1 GLU A 50 -11.957 -1.483 -5.291 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.941 -2.232 -3.527 1.00 0.00 O ATOM 0 H GLU A 50 -10.461 -2.219 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.601 0.098 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.598 1.547 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.717 0.602 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.997 -0.231 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.848 0.654 -3.590 1.00 0.00 H new ATOM 791 N LYS A 51 -8.742 0.625 -1.362 1.00 0.00 N ATOM 792 CA LYS A 51 -8.567 0.743 0.085 1.00 0.00 C ATOM 793 C LYS A 51 -8.374 2.219 0.442 1.00 0.00 C ATOM 794 O LYS A 51 -7.372 2.823 0.079 1.00 0.00 O ATOM 795 CB LYS A 51 -7.347 -0.115 0.488 1.00 0.00 C ATOM 796 CG LYS A 51 -6.766 0.264 1.890 1.00 0.00 C ATOM 797 CD LYS A 51 -7.105 -0.808 2.941 1.00 0.00 C ATOM 798 CE LYS A 51 -8.587 -0.715 3.313 1.00 0.00 C ATOM 799 NZ LYS A 51 -8.862 -1.617 4.467 1.00 0.00 N ATOM 0 H LYS A 51 -8.267 1.350 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.440 0.383 0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.635 -1.166 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.567 -0.002 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.684 0.379 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.169 1.227 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.880 -1.800 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.488 -0.669 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.846 0.312 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.206 -0.996 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.868 -1.557 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.630 -2.596 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.280 -1.328 5.279 1.00 0.00 H new ATOM 813 N LYS A 52 -9.337 2.793 1.162 1.00 0.00 N ATOM 814 CA LYS A 52 -9.253 4.202 1.560 1.00 0.00 C ATOM 815 C LYS A 52 -8.671 4.318 2.969 1.00 0.00 C ATOM 816 O LYS A 52 -8.972 3.496 3.833 1.00 0.00 O ATOM 817 CB LYS A 52 -10.653 4.831 1.558 1.00 0.00 C ATOM 818 CG LYS A 52 -11.383 4.551 0.235 1.00 0.00 C ATOM 819 CD LYS A 52 -10.782 5.381 -0.901 1.00 0.00 C ATOM 820 CE LYS A 52 -11.602 5.161 -2.174 1.00 0.00 C ATOM 821 NZ LYS A 52 -13.012 5.569 -1.931 1.00 0.00 N ATOM 0 H LYS A 52 -10.178 2.311 1.480 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.609 4.722 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.235 4.433 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.572 5.907 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.314 3.490 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.442 4.785 0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.780 6.438 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.744 5.093 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.181 5.740 -2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.561 4.113 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.375 6.077 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.594 4.724 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.055 6.192 -1.099 1.00 0.00 H new ATOM 835 N VAL A 53 -7.845 5.345 3.206 1.00 0.00 N ATOM 836 CA VAL A 53 -7.245 5.544 4.532 1.00 0.00 C ATOM 837 C VAL A 53 -7.317 7.015 4.933 1.00 0.00 C ATOM 838 O VAL A 53 -7.443 7.900 4.091 1.00 0.00 O ATOM 839 CB VAL A 53 -5.770 5.062 4.561 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.474 4.338 5.879 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.506 4.105 3.398 1.00 0.00 C ATOM 0 H VAL A 53 -7.580 6.041 2.509 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.814 4.949 5.246 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.123 5.934 4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.436 4.005 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.643 5.018 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.132 3.475 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.468 3.773 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.166 3.241 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.696 4.617 2.455 1.00 0.00 H new ATOM 851 N GLN A 54 -7.225 7.250 6.230 1.00 0.00 N ATOM 852 CA GLN A 54 -7.264 8.603 6.762 1.00 0.00 C ATOM 853 C GLN A 54 -5.938 9.303 6.471 1.00 0.00 C ATOM 854 O GLN A 54 -4.867 8.749 6.709 1.00 0.00 O ATOM 855 CB GLN A 54 -7.529 8.555 8.271 1.00 0.00 C ATOM 856 CG GLN A 54 -7.683 9.972 8.818 1.00 0.00 C ATOM 857 CD GLN A 54 -8.154 9.931 10.268 1.00 0.00 C ATOM 858 OE1 GLN A 54 -8.632 8.899 10.739 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.049 11.002 11.008 1.00 0.00 N ATOM 0 H GLN A 54 -7.123 6.521 6.936 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.068 9.164 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.432 7.978 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.708 8.048 8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.732 10.500 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.398 10.528 8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.653 11.856 10.616 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.363 10.984 11.978 1.00 0.00 H new ATOM 868 N GLY A 55 -6.024 10.512 5.932 1.00 0.00 N ATOM 869 CA GLY A 55 -4.829 11.277 5.579 1.00 0.00 C ATOM 870 C GLY A 55 -3.917 11.493 6.784 1.00 0.00 C ATOM 871 O GLY A 55 -2.865 12.125 6.667 1.00 0.00 O ATOM 0 H GLY A 55 -6.904 10.985 5.729 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.280 10.753 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.124 12.243 5.169 1.00 0.00 H new ATOM 875 N ASN A 56 -4.320 10.972 7.941 1.00 0.00 N ATOM 876 CA ASN A 56 -3.532 11.114 9.169 1.00 0.00 C ATOM 877 C ASN A 56 -3.054 9.753 9.667 1.00 0.00 C ATOM 878 O ASN A 56 -2.036 9.659 10.353 1.00 0.00 O ATOM 879 CB ASN A 56 -4.378 11.778 10.256 1.00 0.00 C ATOM 880 CG ASN A 56 -4.836 13.157 9.792 1.00 0.00 C ATOM 881 OD1 ASN A 56 -6.000 13.517 9.965 1.00 0.00 O ATOM 882 ND2 ASN A 56 -3.985 13.958 9.210 1.00 0.00 N ATOM 0 H ASN A 56 -5.187 10.447 8.057 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.663 11.733 8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.244 11.156 10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.799 11.868 11.175 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.285 14.882 8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.020 13.660 9.066 1.00 0.00 H new ATOM 889 N LYS A 57 -3.791 8.699 9.324 1.00 0.00 N ATOM 890 CA LYS A 57 -3.418 7.354 9.753 1.00 0.00 C ATOM 891 C LYS A 57 -1.947 7.098 9.421 1.00 0.00 C ATOM 892 O LYS A 57 -1.111 7.023 10.316 1.00 0.00 O ATOM 893 CB LYS A 57 -4.334 6.317 9.063 1.00 0.00 C ATOM 894 CG LYS A 57 -5.393 5.805 10.057 1.00 0.00 C ATOM 895 CD LYS A 57 -6.424 4.951 9.322 1.00 0.00 C ATOM 896 CE LYS A 57 -7.461 4.426 10.317 1.00 0.00 C ATOM 897 NZ LYS A 57 -6.788 3.560 11.327 1.00 0.00 N ATOM 0 H LYS A 57 -4.638 8.748 8.758 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.546 7.260 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.822 6.769 8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.738 5.483 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.915 5.219 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.885 6.647 10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.914 5.541 8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.930 4.117 8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.960 5.259 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.230 3.860 9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.487 2.921 11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.045 2.999 10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.362 4.155 12.066 1.00 0.00 H new ATOM 911 N ASP A 58 -1.648 7.008 8.128 1.00 0.00 N ATOM 912 CA ASP A 58 -0.277 6.802 7.652 1.00 0.00 C ATOM 913 C ASP A 58 0.175 5.332 7.757 1.00 0.00 C ATOM 914 O ASP A 58 1.349 5.051 8.001 1.00 0.00 O ATOM 915 CB ASP A 58 0.685 7.764 8.409 1.00 0.00 C ATOM 916 CG ASP A 58 1.460 7.080 9.547 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.971 6.101 10.087 1.00 0.00 O ATOM 918 OD2 ASP A 58 2.541 7.551 9.857 1.00 0.00 O ATOM 0 H ASP A 58 -2.341 7.075 7.383 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.248 7.038 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.395 8.189 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.109 8.594 8.819 1.00 0.00 H new ATOM 923 N HIS A 59 -0.752 4.391 7.539 1.00 0.00 N ATOM 924 CA HIS A 59 -0.418 2.959 7.597 1.00 0.00 C ATOM 925 C HIS A 59 -1.654 2.106 7.281 1.00 0.00 C ATOM 926 O HIS A 59 -2.782 2.503 7.577 1.00 0.00 O ATOM 927 CB HIS A 59 0.175 2.596 8.994 1.00 0.00 C ATOM 928 CG HIS A 59 -0.818 1.854 9.860 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.658 2.505 10.749 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.097 0.518 9.993 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.394 1.566 11.374 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.091 0.337 10.950 1.00 0.00 N ATOM 0 H HIS A 59 -1.729 4.590 7.323 1.00 0.00 H new ATOM 0 HA HIS A 59 0.339 2.745 6.843 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.067 1.984 8.860 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.488 3.508 9.502 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.617 -0.275 9.438 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.138 1.781 12.126 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.500 -0.544 11.260 1.00 0.00 H new ATOM 940 N ILE A 60 -1.434 0.932 6.686 1.00 0.00 N ATOM 941 CA ILE A 60 -2.539 0.029 6.345 1.00 0.00 C ATOM 942 C ILE A 60 -2.110 -1.431 6.442 1.00 0.00 C ATOM 943 O ILE A 60 -0.981 -1.785 6.102 1.00 0.00 O ATOM 944 CB ILE A 60 -3.042 0.298 4.913 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.841 0.381 3.949 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.848 1.603 4.864 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.276 0.969 2.602 1.00 0.00 C ATOM 0 H ILE A 60 -0.509 0.585 6.431 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.339 0.218 7.060 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.693 -0.521 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.057 0.999 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.417 -0.612 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.196 1.778 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.706 1.526 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.216 2.433 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.417 1.021 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.043 0.334 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.678 1.971 2.755 1.00 0.00 H new ATOM 959 N ILE A 61 -3.042 -2.281 6.873 1.00 0.00 N ATOM 960 CA ILE A 61 -2.790 -3.717 6.979 1.00 0.00 C ATOM 961 C ILE A 61 -3.637 -4.441 5.939 1.00 0.00 C ATOM 962 O ILE A 61 -4.865 -4.393 5.984 1.00 0.00 O ATOM 963 CB ILE A 61 -3.157 -4.218 8.379 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.419 -3.379 9.438 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.766 -5.693 8.520 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.898 -3.426 9.224 1.00 0.00 C ATOM 0 H ILE A 61 -3.981 -1.998 7.155 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.732 -3.914 6.805 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.232 -4.118 8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.764 -2.346 9.392 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.660 -3.751 10.434 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.029 -6.045 9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.299 -6.283 7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.692 -5.801 8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.404 -2.824 9.987 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.552 -4.457 9.295 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.657 -3.030 8.238 1.00 0.00 H new ATOM 978 N LEU A 62 -2.972 -5.090 4.989 1.00 0.00 N ATOM 979 CA LEU A 62 -3.666 -5.806 3.916 1.00 0.00 C ATOM 980 C LEU A 62 -3.603 -7.310 4.162 1.00 0.00 C ATOM 981 O LEU A 62 -2.549 -7.913 4.029 1.00 0.00 O ATOM 982 CB LEU A 62 -2.982 -5.489 2.584 1.00 0.00 C ATOM 983 CG LEU A 62 -2.898 -3.970 2.383 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.034 -3.679 1.154 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.303 -3.383 2.173 1.00 0.00 C ATOM 0 H LEU A 62 -1.954 -5.137 4.937 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.709 -5.491 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.982 -5.922 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.539 -5.942 1.764 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.456 -3.513 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.968 -2.602 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.034 -4.086 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.483 -4.142 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.229 -2.305 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.758 -3.834 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.919 -3.593 3.047 1.00 0.00 H new ATOM 997 N GLU A 63 -4.736 -7.905 4.518 1.00 0.00 N ATOM 998 CA GLU A 63 -4.793 -9.343 4.784 1.00 0.00 C ATOM 999 C GLU A 63 -5.004 -10.148 3.503 1.00 0.00 C ATOM 1000 O GLU A 63 -5.427 -9.612 2.480 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.925 -9.652 5.764 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.566 -9.124 7.154 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.712 -9.397 8.121 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.696 -9.978 7.692 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.588 -9.027 9.276 1.00 0.00 O ATOM 0 H GLU A 63 -5.626 -7.419 4.630 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.835 -9.632 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.852 -9.194 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.098 -10.727 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.655 -9.603 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.365 -8.054 7.106 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.700 -11.443 3.594 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.843 -12.365 2.469 1.00 0.00 C ATOM 1014 C HIS A 64 -3.966 -11.935 1.301 1.00 0.00 C ATOM 1015 O HIS A 64 -4.466 -11.543 0.246 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.311 -12.447 2.017 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.103 -13.285 2.985 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.683 -12.752 4.126 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.426 -14.619 2.990 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -8.317 -13.754 4.763 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -8.192 -14.913 4.112 1.00 0.00 N ATOM 0 H HIS A 64 -4.349 -11.880 4.446 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.521 -13.351 2.803 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.738 -11.446 1.957 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.369 -12.879 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.130 -15.333 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.861 -13.635 5.688 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.576 -15.819 4.380 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.650 -12.028 1.491 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.697 -11.658 0.439 1.00 0.00 C ATOM 1031 C LEU A 65 -1.049 -12.911 -0.135 1.00 0.00 C ATOM 1032 O LEU A 65 -0.341 -12.858 -1.140 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.619 -10.743 1.018 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.269 -9.524 1.680 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.170 -8.621 2.237 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.119 -8.746 0.661 1.00 0.00 C ATOM 0 H LEU A 65 -2.219 -12.354 2.356 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.228 -11.133 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.021 -11.288 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.059 -10.420 0.228 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.922 -9.857 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.621 -7.749 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.415 -9.172 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.481 -8.297 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.573 -7.884 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.485 -8.407 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.902 -9.395 0.269 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.298 -14.036 0.524 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.743 -15.315 0.098 1.00 0.00 C ATOM 1050 C GLN A 66 0.784 -15.252 0.112 1.00 0.00 C ATOM 1051 O GLN A 66 1.371 -14.178 -0.027 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.241 -15.662 -1.304 1.00 0.00 C ATOM 1053 CG GLN A 66 -1.036 -17.156 -1.575 1.00 0.00 C ATOM 1054 CD GLN A 66 -1.993 -17.981 -0.720 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.145 -17.594 -0.523 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -1.581 -19.106 -0.201 1.00 0.00 N ATOM 0 H GLN A 66 -1.883 -14.089 1.358 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.071 -16.091 0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.297 -15.408 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.704 -15.072 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.204 -17.368 -2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.006 -17.435 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.626 -19.424 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.214 -19.667 0.369 1.00 0.00 H new ATOM 1065 N TRP A 67 1.420 -16.405 0.305 1.00 0.00 N ATOM 1066 CA TRP A 67 2.885 -16.470 0.364 1.00 0.00 C ATOM 1067 C TRP A 67 3.502 -16.869 -0.980 1.00 0.00 C ATOM 1068 O TRP A 67 4.724 -16.870 -1.121 1.00 0.00 O ATOM 1069 CB TRP A 67 3.310 -17.511 1.404 1.00 0.00 C ATOM 1070 CG TRP A 67 2.714 -17.196 2.739 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.574 -17.743 3.215 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.203 -16.298 3.779 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.333 -17.246 4.482 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.307 -16.351 4.876 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.323 -15.453 3.883 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.516 -15.592 6.030 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.535 -14.689 5.046 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.633 -14.761 6.118 1.00 0.00 C ATOM 0 H TRP A 67 0.951 -17.303 0.423 1.00 0.00 H new ATOM 0 HA TRP A 67 3.239 -15.474 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.993 -18.503 1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.397 -17.533 1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.952 -18.453 2.691 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.532 -17.509 5.056 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.025 -15.390 3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.816 -15.648 6.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.398 -14.043 5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.803 -14.175 7.009 1.00 0.00 H new ATOM 1089 N THR A 68 2.668 -17.243 -1.959 1.00 0.00 N ATOM 1090 CA THR A 68 3.172 -17.683 -3.273 1.00 0.00 C ATOM 1091 C THR A 68 2.676 -16.797 -4.415 1.00 0.00 C ATOM 1092 O THR A 68 2.685 -17.217 -5.571 1.00 0.00 O ATOM 1093 CB THR A 68 2.716 -19.119 -3.539 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.297 -19.166 -3.571 1.00 0.00 O ATOM 1095 CG2 THR A 68 3.234 -20.040 -2.433 1.00 0.00 C ATOM 0 H THR A 68 1.652 -17.251 -1.871 1.00 0.00 H new ATOM 0 HA THR A 68 4.259 -17.615 -3.239 1.00 0.00 H new ATOM 0 HB THR A 68 3.114 -19.452 -4.498 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.004 -20.085 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.907 -21.061 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.323 -20.006 -2.412 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.842 -19.710 -1.471 1.00 0.00 H new ATOM 1103 N MET A 69 2.240 -15.580 -4.104 1.00 0.00 N ATOM 1104 CA MET A 69 1.745 -14.673 -5.146 1.00 0.00 C ATOM 1105 C MET A 69 2.126 -13.233 -4.838 1.00 0.00 C ATOM 1106 O MET A 69 1.848 -12.725 -3.751 1.00 0.00 O ATOM 1107 CB MET A 69 0.217 -14.778 -5.239 1.00 0.00 C ATOM 1108 CG MET A 69 -0.187 -16.058 -5.974 1.00 0.00 C ATOM 1109 SD MET A 69 0.293 -15.945 -7.719 1.00 0.00 S ATOM 1110 CE MET A 69 -0.807 -14.582 -8.192 1.00 0.00 C ATOM 0 H MET A 69 2.217 -15.200 -3.158 1.00 0.00 H new ATOM 0 HA MET A 69 2.199 -14.962 -6.094 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.216 -14.774 -4.239 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.182 -13.909 -5.762 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.293 -16.920 -5.511 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.263 -16.210 -5.893 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.236 -14.785 -9.173 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.607 -14.489 -7.458 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.239 -13.652 -8.229 1.00 0.00 H new ATOM 1120 N GLY A 70 2.743 -12.565 -5.809 1.00 0.00 N ATOM 1121 CA GLY A 70 3.127 -11.181 -5.632 1.00 0.00 C ATOM 1122 C GLY A 70 1.960 -10.263 -5.956 1.00 0.00 C ATOM 1123 O GLY A 70 1.038 -10.646 -6.676 1.00 0.00 O ATOM 0 H GLY A 70 2.983 -12.962 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.454 -11.016 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.973 -10.946 -6.278 1.00 0.00 H new ATOM 1127 N TYR A 71 2.010 -9.055 -5.413 1.00 0.00 N ATOM 1128 CA TYR A 71 0.957 -8.078 -5.638 1.00 0.00 C ATOM 1129 C TYR A 71 1.541 -6.669 -5.555 1.00 0.00 C ATOM 1130 O TYR A 71 2.558 -6.453 -4.896 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.162 -8.284 -4.598 1.00 0.00 C ATOM 1132 CG TYR A 71 0.194 -7.642 -3.268 1.00 0.00 C ATOM 1133 CD1 TYR A 71 1.383 -7.990 -2.612 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -0.675 -6.708 -2.686 1.00 0.00 C ATOM 1135 CE1 TYR A 71 1.701 -7.402 -1.382 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -0.355 -6.122 -1.459 1.00 0.00 C ATOM 1137 CZ TYR A 71 0.831 -6.468 -0.806 1.00 0.00 C ATOM 1138 OH TYR A 71 1.142 -5.889 0.408 1.00 0.00 O ATOM 0 H TYR A 71 2.769 -8.729 -4.814 1.00 0.00 H new ATOM 0 HA TYR A 71 0.529 -8.209 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.092 -7.857 -4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.336 -9.350 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.053 -8.711 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.594 -6.441 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.618 -7.669 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.025 -5.401 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 71 1.979 -5.386 0.326 1.00 0.00 H new ATOM 1148 N GLU A 72 0.902 -5.717 -6.231 1.00 0.00 N ATOM 1149 CA GLU A 72 1.381 -4.328 -6.229 1.00 0.00 C ATOM 1150 C GLU A 72 0.455 -3.451 -5.394 1.00 0.00 C ATOM 1151 O GLU A 72 -0.718 -3.766 -5.214 1.00 0.00 O ATOM 1152 CB GLU A 72 1.457 -3.770 -7.673 1.00 0.00 C ATOM 1153 CG GLU A 72 1.568 -4.918 -8.670 1.00 0.00 C ATOM 1154 CD GLU A 72 1.961 -4.382 -10.042 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.758 -3.202 -10.276 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.459 -5.159 -10.840 1.00 0.00 O ATOM 0 H GLU A 72 0.059 -5.875 -6.783 1.00 0.00 H new ATOM 0 HA GLU A 72 2.380 -4.317 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.570 -3.174 -7.889 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.317 -3.108 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.310 -5.639 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.617 -5.446 -8.736 1.00 0.00 H new ATOM 1163 N VAL A 73 0.996 -2.341 -4.904 1.00 0.00 N ATOM 1164 CA VAL A 73 0.229 -1.389 -4.103 1.00 0.00 C ATOM 1165 C VAL A 73 0.428 0.011 -4.666 1.00 0.00 C ATOM 1166 O VAL A 73 1.559 0.432 -4.899 1.00 0.00 O ATOM 1167 CB VAL A 73 0.702 -1.435 -2.646 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.366 -0.832 -1.723 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.963 -2.892 -2.253 1.00 0.00 C ATOM 0 H VAL A 73 1.970 -2.075 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.829 -1.651 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 73 1.619 -0.854 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.018 -0.870 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.548 0.205 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.291 -1.402 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.300 -2.935 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.044 -3.468 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.731 -3.312 -2.902 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.669 0.727 -4.892 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.597 2.082 -5.439 1.00 0.00 C ATOM 1181 C GLN A 74 -1.276 3.067 -4.501 1.00 0.00 C ATOM 1182 O GLN A 74 -2.499 3.099 -4.385 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.259 2.112 -6.812 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.176 3.524 -7.398 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.668 3.517 -8.840 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -1.709 2.465 -9.479 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.047 4.636 -9.396 1.00 0.00 N ATOM 0 H GLN A 74 -1.616 0.395 -4.707 1.00 0.00 H new ATOM 0 HA GLN A 74 0.449 2.373 -5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.768 1.403 -7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.301 1.803 -6.730 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.778 4.210 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.148 3.884 -7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.012 5.506 -8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.378 4.640 -10.361 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.454 3.864 -3.834 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.928 4.865 -2.886 1.00 0.00 C ATOM 1198 C ILE A 75 -1.166 6.181 -3.604 1.00 0.00 C ATOM 1199 O ILE A 75 -0.328 6.632 -4.377 1.00 0.00 O ATOM 1200 CB ILE A 75 0.135 5.045 -1.778 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.057 3.994 -0.680 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.054 6.442 -1.144 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.333 2.611 -1.208 1.00 0.00 C ATOM 0 H ILE A 75 0.561 3.836 -3.934 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.868 4.539 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 75 1.113 4.924 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.552 4.247 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.096 3.987 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.815 6.535 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.222 7.199 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.932 6.585 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.194 1.869 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.295 2.357 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.378 2.621 -1.517 1.00 0.00 H new ATOM 1215 N THR A 76 -2.292 6.811 -3.315 1.00 0.00 N ATOM 1216 CA THR A 76 -2.596 8.109 -3.910 1.00 0.00 C ATOM 1217 C THR A 76 -3.148 9.026 -2.840 1.00 0.00 C ATOM 1218 O THR A 76 -4.124 8.703 -2.168 1.00 0.00 O ATOM 1219 CB THR A 76 -3.580 7.974 -5.075 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.224 6.848 -5.863 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.527 9.233 -5.943 1.00 0.00 C ATOM 0 H THR A 76 -3.006 6.453 -2.680 1.00 0.00 H new ATOM 0 HA THR A 76 -1.679 8.535 -4.316 1.00 0.00 H new ATOM 0 HB THR A 76 -4.589 7.846 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.853 6.758 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.229 9.134 -6.771 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.796 10.101 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.518 9.362 -6.335 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.499 10.168 -2.677 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.907 11.135 -1.669 1.00 0.00 C ATOM 1231 C ALA A 77 -3.799 12.194 -2.311 1.00 0.00 C ATOM 1232 O ALA A 77 -3.396 12.862 -3.263 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.641 11.761 -1.056 1.00 0.00 C ATOM 0 H ALA A 77 -1.688 10.448 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.480 10.653 -0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.926 12.490 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.034 10.980 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.066 12.257 -1.837 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.032 12.316 -1.816 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.991 13.268 -2.385 1.00 0.00 C ATOM 1241 C ALA A 78 -6.106 14.556 -1.574 1.00 0.00 C ATOM 1242 O ALA A 78 -6.757 14.591 -0.529 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.368 12.611 -2.469 1.00 0.00 C ATOM 0 H ALA A 78 -5.389 11.773 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.622 13.538 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.083 13.317 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.311 11.727 -3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.693 12.319 -1.470 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.514 15.628 -2.102 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.586 16.946 -1.467 1.00 0.00 C ATOM 1251 C ASN A 79 -6.491 17.845 -2.297 1.00 0.00 C ATOM 1252 O ASN A 79 -7.071 17.408 -3.289 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.184 17.579 -1.351 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.293 17.098 -2.489 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -2.764 17.909 -3.250 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -3.090 15.819 -2.653 1.00 0.00 N ATOM 0 H ASN A 79 -4.978 15.610 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.990 16.833 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.265 18.666 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.736 17.315 -0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.493 15.491 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.529 15.148 -2.022 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.591 19.104 -1.894 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.411 20.067 -2.620 1.00 0.00 C ATOM 1265 C ARG A 80 -7.237 19.881 -4.128 1.00 0.00 C ATOM 1266 O ARG A 80 -8.165 20.104 -4.906 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.000 21.483 -2.209 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.880 22.521 -2.909 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.425 23.920 -2.490 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.731 24.148 -1.083 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.391 25.281 -0.477 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.763 26.213 -1.140 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -7.687 25.460 0.781 1.00 0.00 N ATOM 0 H ARG A 80 -6.118 19.482 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.461 19.908 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.087 21.594 -1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.954 21.653 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.807 22.409 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.926 22.369 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.354 24.028 -2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.922 24.671 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.216 23.424 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.533 26.072 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.502 27.082 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.179 24.731 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.427 26.329 1.248 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.040 19.453 -4.526 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.744 19.219 -5.934 1.00 0.00 C ATOM 1289 C LEU A 81 -6.591 18.066 -6.459 1.00 0.00 C ATOM 1290 O LEU A 81 -7.111 18.117 -7.573 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.257 18.885 -6.125 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.375 20.133 -5.940 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.637 21.157 -7.061 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.647 20.779 -4.575 1.00 0.00 C ATOM 0 H LEU A 81 -5.263 19.262 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.978 20.127 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.960 18.118 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.100 18.471 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.332 19.821 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.003 22.031 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.410 20.706 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.684 21.460 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.017 21.660 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.695 21.072 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.423 20.064 -3.783 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.713 17.021 -5.642 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.490 15.836 -6.007 1.00 0.00 C ATOM 1308 C GLY A 82 -6.642 14.579 -5.855 1.00 0.00 C ATOM 1309 O GLY A 82 -7.066 13.601 -5.241 1.00 0.00 O ATOM 0 H GLY A 82 -6.282 16.970 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.375 15.764 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.839 15.925 -7.036 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.437 14.627 -6.408 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.503 13.510 -6.322 1.00 0.00 C ATOM 1315 C TYR A 83 -3.088 14.034 -6.524 1.00 0.00 C ATOM 1316 O TYR A 83 -2.830 14.792 -7.460 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.821 12.446 -7.382 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.316 12.276 -7.515 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.043 13.147 -8.331 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.970 11.243 -6.832 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.427 12.990 -8.465 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.355 11.084 -6.966 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.083 11.958 -7.784 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.446 11.801 -7.922 1.00 0.00 O ATOM 0 H TYR A 83 -5.081 15.432 -6.924 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.594 13.046 -5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.394 12.738 -8.341 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.363 11.497 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.536 13.942 -8.858 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.407 10.570 -6.203 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.989 13.665 -9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.861 10.289 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.744 11.038 -7.384 1.00 0.00 H new ATOM 1334 N SER A 84 -2.171 13.644 -5.651 1.00 0.00 N ATOM 1335 CA SER A 84 -0.798 14.109 -5.770 1.00 0.00 C ATOM 1336 C SER A 84 0.134 13.277 -4.905 1.00 0.00 C ATOM 1337 O SER A 84 -0.302 12.613 -3.964 1.00 0.00 O ATOM 1338 CB SER A 84 -0.709 15.575 -5.349 1.00 0.00 C ATOM 1339 OG SER A 84 0.600 16.063 -5.615 1.00 0.00 O ATOM 0 H SER A 84 -2.348 13.018 -4.866 1.00 0.00 H new ATOM 0 HA SER A 84 -0.492 14.005 -6.811 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.447 16.166 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.938 15.675 -4.288 1.00 0.00 H new ATOM 0 HG SER A 84 0.659 17.004 -5.347 1.00 0.00 H new ATOM 1345 N GLU A 85 1.420 13.324 -5.222 1.00 0.00 N ATOM 1346 CA GLU A 85 2.408 12.576 -4.461 1.00 0.00 C ATOM 1347 C GLU A 85 2.005 11.097 -4.374 1.00 0.00 C ATOM 1348 O GLU A 85 1.990 10.507 -3.294 1.00 0.00 O ATOM 1349 CB GLU A 85 2.529 13.202 -3.047 1.00 0.00 C ATOM 1350 CG GLU A 85 3.714 14.166 -2.981 1.00 0.00 C ATOM 1351 CD GLU A 85 5.032 13.404 -3.116 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.985 12.207 -3.336 1.00 0.00 O ATOM 1353 OE2 GLU A 85 6.071 14.031 -2.986 1.00 0.00 O ATOM 0 H GLU A 85 1.801 13.869 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 85 3.376 12.627 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.609 13.731 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.654 12.414 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.632 14.907 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.696 14.709 -2.036 1.00 0.00 H new ATOM 1360 N PRO A 86 1.692 10.487 -5.485 1.00 0.00 N ATOM 1361 CA PRO A 86 1.299 9.051 -5.517 1.00 0.00 C ATOM 1362 C PRO A 86 2.504 8.145 -5.280 1.00 0.00 C ATOM 1363 O PRO A 86 3.630 8.492 -5.638 1.00 0.00 O ATOM 1364 CB PRO A 86 0.726 8.875 -6.925 1.00 0.00 C ATOM 1365 CG PRO A 86 1.477 9.867 -7.749 1.00 0.00 C ATOM 1366 CD PRO A 86 1.682 11.080 -6.836 1.00 0.00 C ATOM 0 HA PRO A 86 0.586 8.783 -4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.873 7.859 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.346 9.069 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.432 9.459 -8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.917 10.139 -8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.616 11.596 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.880 11.810 -6.950 1.00 0.00 H new ATOM 1374 N THR A 87 2.263 6.982 -4.681 1.00 0.00 N ATOM 1375 CA THR A 87 3.333 6.028 -4.403 1.00 0.00 C ATOM 1376 C THR A 87 3.014 4.676 -5.010 1.00 0.00 C ATOM 1377 O THR A 87 2.153 3.948 -4.523 1.00 0.00 O ATOM 1378 CB THR A 87 3.532 5.873 -2.873 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.649 6.745 -2.195 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.956 6.218 -2.486 1.00 0.00 C ATOM 0 H THR A 87 1.338 6.678 -4.379 1.00 0.00 H new ATOM 0 HA THR A 87 4.251 6.410 -4.849 1.00 0.00 H new ATOM 0 HB THR A 87 3.327 4.839 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.761 6.637 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.078 6.104 -1.409 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.645 5.550 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.170 7.249 -2.768 1.00 0.00 H new ATOM 1388 N VAL A 88 3.750 4.326 -6.049 1.00 0.00 N ATOM 1389 CA VAL A 88 3.574 3.036 -6.687 1.00 0.00 C ATOM 1390 C VAL A 88 4.589 2.073 -6.096 1.00 0.00 C ATOM 1391 O VAL A 88 5.750 2.045 -6.507 1.00 0.00 O ATOM 1392 CB VAL A 88 3.769 3.147 -8.201 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.308 1.850 -8.868 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.938 4.315 -8.740 1.00 0.00 C ATOM 0 H VAL A 88 4.471 4.914 -6.467 1.00 0.00 H new ATOM 0 HA VAL A 88 2.561 2.674 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 88 4.823 3.318 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.446 1.927 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.895 1.015 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.254 1.683 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.077 4.394 -9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.884 4.143 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.260 5.241 -8.264 1.00 0.00 H new ATOM 1404 N TYR A 89 4.147 1.307 -5.103 1.00 0.00 N ATOM 1405 CA TYR A 89 5.020 0.357 -4.414 1.00 0.00 C ATOM 1406 C TYR A 89 4.744 -1.068 -4.893 1.00 0.00 C ATOM 1407 O TYR A 89 3.591 -1.491 -4.965 1.00 0.00 O ATOM 1408 CB TYR A 89 4.779 0.472 -2.906 1.00 0.00 C ATOM 1409 CG TYR A 89 5.685 -0.465 -2.119 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.078 -0.454 -2.312 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.124 -1.329 -1.164 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.895 -1.303 -1.558 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.947 -2.177 -0.416 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.331 -2.163 -0.610 1.00 0.00 C ATOM 1415 OH TYR A 89 8.140 -2.997 0.133 1.00 0.00 O ATOM 0 H TYR A 89 3.188 1.324 -4.756 1.00 0.00 H new ATOM 0 HA TYR A 89 6.062 0.588 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.953 1.500 -2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.737 0.241 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.517 0.210 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.055 -1.338 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.964 -1.294 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.512 -2.844 0.313 1.00 0.00 H new ATOM 0 HH TYR A 89 7.589 -3.527 0.746 1.00 0.00 H new ATOM 1425 N GLU A 90 5.805 -1.804 -5.234 1.00 0.00 N ATOM 1426 CA GLU A 90 5.660 -3.180 -5.721 1.00 0.00 C ATOM 1427 C GLU A 90 6.658 -4.112 -5.041 1.00 0.00 C ATOM 1428 O GLU A 90 7.843 -3.797 -4.922 1.00 0.00 O ATOM 1429 CB GLU A 90 5.878 -3.219 -7.237 1.00 0.00 C ATOM 1430 CG GLU A 90 7.103 -2.377 -7.602 1.00 0.00 C ATOM 1431 CD GLU A 90 7.476 -2.618 -9.061 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.497 -3.769 -9.463 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.734 -1.647 -9.755 1.00 0.00 O ATOM 0 H GLU A 90 6.769 -1.474 -5.183 1.00 0.00 H new ATOM 0 HA GLU A 90 4.652 -3.520 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.020 -4.248 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.996 -2.838 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.891 -1.320 -7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.941 -2.637 -6.955 1.00 0.00 H new ATOM 1440 N PHE A 91 6.171 -5.270 -4.607 1.00 0.00 N ATOM 1441 CA PHE A 91 7.027 -6.255 -3.950 1.00 0.00 C ATOM 1442 C PHE A 91 6.292 -7.583 -3.805 1.00 0.00 C ATOM 1443 O PHE A 91 5.129 -7.619 -3.404 1.00 0.00 O ATOM 1444 CB PHE A 91 7.476 -5.733 -2.578 1.00 0.00 C ATOM 1445 CG PHE A 91 6.334 -5.810 -1.587 1.00 0.00 C ATOM 1446 CD1 PHE A 91 5.339 -4.825 -1.583 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.275 -6.871 -0.672 1.00 0.00 C ATOM 1448 CE1 PHE A 91 4.285 -4.901 -0.664 1.00 0.00 C ATOM 1449 CE2 PHE A 91 5.221 -6.944 0.248 1.00 0.00 C ATOM 1450 CZ PHE A 91 4.228 -5.958 0.253 1.00 0.00 C ATOM 0 H PHE A 91 5.194 -5.550 -4.697 1.00 0.00 H new ATOM 0 HA PHE A 91 7.912 -6.418 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.320 -6.320 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.819 -4.702 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.384 -4.008 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.042 -7.632 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.515 -4.144 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.175 -7.761 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.417 -6.012 0.964 1.00 0.00 H new ATOM 1460 N SER A 92 6.974 -8.671 -4.148 1.00 0.00 N ATOM 1461 CA SER A 92 6.368 -9.993 -4.063 1.00 0.00 C ATOM 1462 C SER A 92 6.392 -10.528 -2.633 1.00 0.00 C ATOM 1463 O SER A 92 7.094 -10.003 -1.768 1.00 0.00 O ATOM 1464 CB SER A 92 7.075 -10.967 -5.003 1.00 0.00 C ATOM 1465 OG SER A 92 8.481 -10.832 -4.856 1.00 0.00 O ATOM 0 H SER A 92 7.937 -8.664 -4.484 1.00 0.00 H new ATOM 0 HA SER A 92 5.326 -9.899 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.772 -11.990 -4.779 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.786 -10.768 -6.035 1.00 0.00 H new ATOM 0 HG SER A 92 8.934 -11.458 -5.458 1.00 0.00 H new ATOM 1471 N MET A 93 5.596 -11.570 -2.397 1.00 0.00 N ATOM 1472 CA MET A 93 5.491 -12.180 -1.072 1.00 0.00 C ATOM 1473 C MET A 93 6.466 -13.358 -0.916 1.00 0.00 C ATOM 1474 O MET A 93 6.650 -14.135 -1.854 1.00 0.00 O ATOM 1475 CB MET A 93 4.062 -12.682 -0.874 1.00 0.00 C ATOM 1476 CG MET A 93 3.100 -11.493 -0.896 1.00 0.00 C ATOM 1477 SD MET A 93 3.360 -10.471 0.579 1.00 0.00 S ATOM 1478 CE MET A 93 2.760 -11.658 1.808 1.00 0.00 C ATOM 0 H MET A 93 5.013 -12.011 -3.108 1.00 0.00 H new ATOM 0 HA MET A 93 5.745 -11.429 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.801 -13.390 -1.661 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.979 -13.214 0.074 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.261 -10.899 -1.795 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.070 -11.847 -0.928 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.398 -11.122 2.685 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.947 -12.245 1.381 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.573 -12.323 2.099 1.00 0.00 H new ATOM 1488 N PRO A 94 7.073 -13.526 0.243 1.00 0.00 N ATOM 1489 CA PRO A 94 8.015 -14.660 0.498 1.00 0.00 C ATOM 1490 C PRO A 94 7.255 -15.964 0.756 1.00 0.00 C ATOM 1491 O PRO A 94 6.065 -15.937 1.064 1.00 0.00 O ATOM 1492 CB PRO A 94 8.765 -14.208 1.758 1.00 0.00 C ATOM 1493 CG PRO A 94 7.776 -13.375 2.503 1.00 0.00 C ATOM 1494 CD PRO A 94 6.943 -12.662 1.437 1.00 0.00 C ATOM 0 HA PRO A 94 8.672 -14.867 -0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.093 -15.061 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.657 -13.634 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.146 -13.994 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.279 -12.657 3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.902 -12.561 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.317 -11.657 1.245 1.00 0.00 H new ATOM 1502 N PRO A 95 7.911 -17.091 0.652 1.00 0.00 N ATOM 1503 CA PRO A 95 7.270 -18.420 0.901 1.00 0.00 C ATOM 1504 C PRO A 95 6.776 -18.547 2.345 1.00 0.00 C ATOM 1505 O PRO A 95 7.306 -17.908 3.254 1.00 0.00 O ATOM 1506 CB PRO A 95 8.388 -19.433 0.589 1.00 0.00 C ATOM 1507 CG PRO A 95 9.661 -18.658 0.719 1.00 0.00 C ATOM 1508 CD PRO A 95 9.328 -17.235 0.279 1.00 0.00 C ATOM 0 HA PRO A 95 6.382 -18.578 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.365 -20.273 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.278 -19.846 -0.414 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.026 -18.675 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.445 -19.087 0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.954 -16.500 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.478 -17.099 -0.792 1.00 0.00 H new ATOM 1516 N LYS A 96 5.748 -19.369 2.541 1.00 0.00 N ATOM 1517 CA LYS A 96 5.174 -19.570 3.871 1.00 0.00 C ATOM 1518 C LYS A 96 6.284 -19.731 4.921 1.00 0.00 C ATOM 1519 O LYS A 96 7.205 -20.523 4.727 1.00 0.00 O ATOM 1520 CB LYS A 96 4.299 -20.835 3.863 1.00 0.00 C ATOM 1521 CG LYS A 96 3.681 -21.108 5.261 1.00 0.00 C ATOM 1522 CD LYS A 96 2.341 -20.365 5.410 1.00 0.00 C ATOM 1523 CE LYS A 96 1.227 -21.062 4.609 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.093 -20.740 5.220 1.00 0.00 N ATOM 0 H LYS A 96 5.296 -19.905 1.800 1.00 0.00 H new ATOM 0 HA LYS A 96 4.571 -18.698 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.502 -20.723 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.899 -21.692 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.527 -22.179 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.372 -20.785 6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.062 -20.320 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.452 -19.337 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.250 -20.733 3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.386 -22.140 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.849 -21.209 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.111 -21.074 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.242 -19.711 5.201 1.00 0.00 H new ATOM 1538 N PRO A 97 6.200 -19.038 6.040 1.00 0.00 N ATOM 1539 CA PRO A 97 7.210 -19.173 7.127 1.00 0.00 C ATOM 1540 C PRO A 97 6.994 -20.465 7.918 1.00 0.00 C ATOM 1541 O PRO A 97 5.897 -21.024 7.911 1.00 0.00 O ATOM 1542 CB PRO A 97 6.958 -17.942 7.996 1.00 0.00 C ATOM 1543 CG PRO A 97 5.501 -17.669 7.847 1.00 0.00 C ATOM 1544 CD PRO A 97 5.154 -18.053 6.406 1.00 0.00 C ATOM 0 HA PRO A 97 8.234 -19.227 6.756 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.222 -18.131 9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.556 -17.093 7.664 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.918 -18.253 8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.278 -16.619 8.037 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.156 -18.485 6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.172 -17.186 5.746 1.00 0.00 H new ATOM 1552 N ASN A 98 8.034 -20.930 8.610 1.00 0.00 N ATOM 1553 CA ASN A 98 7.924 -22.152 9.407 1.00 0.00 C ATOM 1554 C ASN A 98 8.837 -22.082 10.629 1.00 0.00 C ATOM 1555 O ASN A 98 8.399 -22.313 11.756 1.00 0.00 O ATOM 1556 CB ASN A 98 8.303 -23.370 8.561 1.00 0.00 C ATOM 1557 CG ASN A 98 9.776 -23.298 8.174 1.00 0.00 C ATOM 1558 OD1 ASN A 98 10.240 -22.265 7.690 1.00 0.00 O ATOM 1559 ND2 ASN A 98 10.543 -24.335 8.364 1.00 0.00 N ATOM 0 H ASN A 98 8.952 -20.486 8.636 1.00 0.00 H new ATOM 0 HA ASN A 98 6.891 -22.248 9.741 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.110 -24.286 9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.684 -23.407 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.530 -24.292 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.156 -25.189 8.765 1.00 0.00 H new ATOM 1566 N ILE A 99 10.112 -21.768 10.394 1.00 0.00 N ATOM 1567 CA ILE A 99 11.099 -21.672 11.476 1.00 0.00 C ATOM 1568 C ILE A 99 11.595 -20.240 11.639 1.00 0.00 C ATOM 1569 O ILE A 99 11.594 -19.691 12.741 1.00 0.00 O ATOM 1570 CB ILE A 99 12.280 -22.601 11.176 1.00 0.00 C ATOM 1571 CG1 ILE A 99 13.342 -22.445 12.264 1.00 0.00 C ATOM 1572 CG2 ILE A 99 12.896 -22.256 9.814 1.00 0.00 C ATOM 1573 CD1 ILE A 99 14.377 -23.562 12.119 1.00 0.00 C ATOM 0 H ILE A 99 10.487 -21.576 9.465 1.00 0.00 H new ATOM 0 HA ILE A 99 10.621 -21.974 12.408 1.00 0.00 H new ATOM 0 HB ILE A 99 11.921 -23.630 11.154 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.825 -21.472 12.180 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.879 -22.487 13.250 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.734 -22.924 9.614 1.00 0.00 H new ATOM 0 HG22 ILE A 99 12.144 -22.374 9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 99 13.249 -21.225 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.138 -23.456 12.893 1.00 0.00 H new ATOM 0 HD12 ILE A 99 13.885 -24.529 12.223 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.847 -23.498 11.137 1.00 0.00 H new ATOM 1585 N ILE A 100 12.018 -19.643 10.537 1.00 0.00 N ATOM 1586 CA ILE A 100 12.518 -18.277 10.562 1.00 0.00 C ATOM 1587 C ILE A 100 11.472 -17.331 11.145 1.00 0.00 C ATOM 1588 O ILE A 100 10.277 -17.625 11.126 1.00 0.00 O ATOM 1589 CB ILE A 100 12.885 -17.850 9.141 1.00 0.00 C ATOM 1590 CG1 ILE A 100 13.253 -16.363 9.120 1.00 0.00 C ATOM 1591 CG2 ILE A 100 11.694 -18.103 8.219 1.00 0.00 C ATOM 1592 CD1 ILE A 100 13.873 -16.007 7.768 1.00 0.00 C ATOM 0 H ILE A 100 12.026 -20.081 9.616 1.00 0.00 H new ATOM 0 HA ILE A 100 13.404 -18.232 11.196 1.00 0.00 H new ATOM 0 HB ILE A 100 13.743 -18.428 8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.365 -15.756 9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.955 -16.140 9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.949 -17.800 7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.445 -19.164 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.837 -17.525 8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 100 14.134 -14.949 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 100 14.771 -16.604 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 100 13.156 -16.214 6.973 1.00 0.00 H new ATOM 1604 N LYS A 101 11.938 -16.203 11.672 1.00 0.00 N ATOM 1605 CA LYS A 101 11.049 -15.212 12.276 1.00 0.00 C ATOM 1606 C LYS A 101 9.926 -14.809 11.321 1.00 0.00 C ATOM 1607 O LYS A 101 9.073 -15.619 10.959 1.00 0.00 O ATOM 1608 CB LYS A 101 11.845 -13.966 12.645 1.00 0.00 C ATOM 1609 CG LYS A 101 12.784 -14.270 13.796 1.00 0.00 C ATOM 1610 CD LYS A 101 13.547 -12.994 14.122 1.00 0.00 C ATOM 1611 CE LYS A 101 14.398 -13.202 15.366 1.00 0.00 C ATOM 1612 NZ LYS A 101 15.624 -13.973 15.012 1.00 0.00 N ATOM 0 H LYS A 101 12.926 -15.951 11.694 1.00 0.00 H new ATOM 0 HA LYS A 101 10.607 -15.663 13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.415 -13.620 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.166 -13.160 12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.224 -14.613 14.666 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.474 -15.069 13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.180 -12.714 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.848 -12.173 14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.674 -12.239 15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.826 -13.737 16.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.204 -14.114 15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.352 -14.898 14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.173 -13.446 14.303 1.00 0.00 H new ATOM 1626 N ASP A 102 9.935 -13.535 10.932 1.00 0.00 N ATOM 1627 CA ASP A 102 8.918 -12.993 10.025 1.00 0.00 C ATOM 1628 C ASP A 102 9.574 -12.368 8.798 1.00 0.00 C ATOM 1629 O ASP A 102 9.273 -12.807 7.701 1.00 0.00 O ATOM 1630 CB ASP A 102 8.088 -11.935 10.754 1.00 0.00 C ATOM 1631 CG ASP A 102 7.444 -12.542 11.995 1.00 0.00 C ATOM 1632 OD1 ASP A 102 6.755 -13.539 11.854 1.00 0.00 O ATOM 1633 OD2 ASP A 102 7.648 -12.001 13.070 1.00 0.00 O ATOM 0 H ASP A 102 10.635 -12.856 11.230 1.00 0.00 H new ATOM 0 HA ASP A 102 8.271 -13.808 9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.722 -11.095 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.318 -11.543 10.089 1.00 0.00 H new TER 1638 ASP A 102