USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 706 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 20 HIS : no HE2:sc= -7.86! C(o=-10!,f=-15!) USER MOD Set 1.2: A 54 GLN : amide:sc= -2.53! C(o=-10!,f=-13!) USER MOD Single : A 12 SER OG : rot 180:sc= -0.305 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00157 USER MOD Single : A 23 LYS NZ :NH3+ 155:sc=-0.00149 (180deg=-0.686) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.0855 (180deg=-0.416) USER MOD Single : A 44 THR OG1 : rot 130:sc= -4.91! USER MOD Single : A 45 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.75) USER MOD Single : A 48 MET CE :methyl -125:sc= -1.76 (180deg=-5.79!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -4.98! C(o=-5!,f=-2.9!) USER MOD Single : A 59 MET CE :methyl -177:sc= -0.639 (180deg=-0.688) USER MOD Single : A 60 ASN : amide:sc= -19.3! C(o=-19!,f=-12!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.43! C(o=-5.4!,f=-6.1!) USER MOD Single : A 67 THR OG1 : rot 120:sc= 1.21 USER MOD Single : A 68 MET CE :methyl -132:sc= -0.859 (180deg=-3.44!) USER MOD Single : A 70 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 113:sc= -2.36 USER MOD Single : A 73 THR OG1 : rot 10:sc= -1.17! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -179:sc= 0.901 USER MOD Single : A 82 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.14) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 66:sc= -2.16! USER MOD Single : A 90 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.6!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= -0.124 (180deg=-0.552) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 19:sc= 0.335 USER MOD Single : A 98 SER OG : rot 180:sc= -0.269 USER MOD Single : A 99 SER OG : rot -2:sc= 0.811 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -14.425 11.666 -5.975 1.00 0.00 N ATOM 2 CA SER A 12 -15.381 10.863 -5.169 1.00 0.00 C ATOM 3 C SER A 12 -15.332 11.260 -3.698 1.00 0.00 C ATOM 4 O SER A 12 -14.956 12.382 -3.360 1.00 0.00 O ATOM 5 CB SER A 12 -15.028 9.382 -5.329 1.00 0.00 C ATOM 6 OG SER A 12 -14.022 8.995 -4.408 1.00 0.00 O ATOM 0 HA SER A 12 -16.394 11.049 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.919 8.774 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.685 9.194 -6.347 1.00 0.00 H new ATOM 0 HG SER A 12 -13.815 8.045 -4.529 1.00 0.00 H new ATOM 11 N GLY A 13 -15.715 10.332 -2.826 1.00 0.00 N ATOM 12 CA GLY A 13 -15.708 10.606 -1.401 1.00 0.00 C ATOM 13 C GLY A 13 -14.477 10.052 -0.710 1.00 0.00 C ATOM 14 O GLY A 13 -13.518 10.781 -0.457 1.00 0.00 O ATOM 0 H GLY A 13 -16.030 9.396 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.757 11.683 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.600 10.175 -0.947 1.00 0.00 H new ATOM 18 N VAL A 14 -14.505 8.759 -0.404 1.00 0.00 N ATOM 19 CA VAL A 14 -13.384 8.107 0.262 1.00 0.00 C ATOM 20 C VAL A 14 -13.088 6.748 -0.363 1.00 0.00 C ATOM 21 O VAL A 14 -13.987 5.927 -0.545 1.00 0.00 O ATOM 22 CB VAL A 14 -13.654 7.920 1.766 1.00 0.00 C ATOM 23 CG1 VAL A 14 -12.972 9.014 2.573 1.00 0.00 C ATOM 24 CG2 VAL A 14 -15.149 7.899 2.041 1.00 0.00 C ATOM 0 H VAL A 14 -15.292 8.142 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.520 8.759 0.135 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.237 6.961 2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.175 8.864 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.896 8.977 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.355 9.987 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.321 7.766 3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -15.592 8.841 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.608 7.075 1.494 1.00 0.00 H new ATOM 34 N PRO A 15 -11.814 6.495 -0.698 1.00 0.00 N ATOM 35 CA PRO A 15 -11.391 5.231 -1.306 1.00 0.00 C ATOM 36 C PRO A 15 -11.560 4.047 -0.358 1.00 0.00 C ATOM 37 O PRO A 15 -12.583 3.361 -0.384 1.00 0.00 O ATOM 38 CB PRO A 15 -9.909 5.459 -1.622 1.00 0.00 C ATOM 39 CG PRO A 15 -9.483 6.555 -0.706 1.00 0.00 C ATOM 40 CD PRO A 15 -10.691 7.426 -0.509 1.00 0.00 C ATOM 0 HA PRO A 15 -11.990 4.982 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.326 4.554 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.767 5.739 -2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.132 6.154 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.658 7.124 -1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.705 7.876 0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.720 8.243 -1.230 1.00 0.00 H new ATOM 48 N SER A 16 -10.553 3.811 0.477 1.00 0.00 N ATOM 49 CA SER A 16 -10.594 2.710 1.431 1.00 0.00 C ATOM 50 C SER A 16 -9.332 2.686 2.287 1.00 0.00 C ATOM 51 O SER A 16 -8.319 3.291 1.934 1.00 0.00 O ATOM 52 CB SER A 16 -10.752 1.377 0.698 1.00 0.00 C ATOM 53 OG SER A 16 -9.493 0.770 0.467 1.00 0.00 O ATOM 0 H SER A 16 -9.699 4.368 0.512 1.00 0.00 H new ATOM 0 HA SER A 16 -11.453 2.861 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.380 0.707 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.261 1.539 -0.252 1.00 0.00 H new ATOM 0 HG SER A 16 -9.621 -0.081 -0.001 1.00 0.00 H new ATOM 59 N ARG A 17 -9.398 1.984 3.413 1.00 0.00 N ATOM 60 CA ARG A 17 -8.261 1.882 4.319 1.00 0.00 C ATOM 61 C ARG A 17 -7.220 0.905 3.780 1.00 0.00 C ATOM 62 O ARG A 17 -6.055 0.944 4.174 1.00 0.00 O ATOM 63 CB ARG A 17 -8.724 1.435 5.707 1.00 0.00 C ATOM 64 CG ARG A 17 -9.381 2.543 6.514 1.00 0.00 C ATOM 65 CD ARG A 17 -10.299 1.982 7.588 1.00 0.00 C ATOM 66 NE ARG A 17 -10.938 3.038 8.368 1.00 0.00 N ATOM 67 CZ ARG A 17 -12.055 2.864 9.067 1.00 0.00 C ATOM 68 NH1 ARG A 17 -12.651 1.680 9.082 1.00 0.00 N ATOM 69 NH2 ARG A 17 -12.575 3.874 9.750 1.00 0.00 N ATOM 0 H ARG A 17 -10.228 1.477 3.720 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.803 2.868 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.428 0.610 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.867 1.052 6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.612 3.161 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.952 3.190 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.065 1.361 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.726 1.336 8.253 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.503 3.961 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.252 0.902 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.508 1.547 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.118 4.786 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.432 3.739 10.286 1.00 0.00 H new ATOM 83 N VAL A 18 -7.649 0.033 2.873 1.00 0.00 N ATOM 84 CA VAL A 18 -6.754 -0.952 2.278 1.00 0.00 C ATOM 85 C VAL A 18 -6.096 -0.405 1.016 1.00 0.00 C ATOM 86 O VAL A 18 -6.744 -0.264 -0.021 1.00 0.00 O ATOM 87 CB VAL A 18 -7.500 -2.253 1.931 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.517 -3.386 1.684 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.479 -2.619 3.037 1.00 0.00 C ATOM 0 H VAL A 18 -8.610 -0.011 2.535 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.986 -1.170 3.020 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.066 -2.090 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.065 -4.296 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.861 -3.124 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.919 -3.551 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.997 -3.541 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.936 -2.762 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.206 -1.817 3.159 1.00 0.00 H new ATOM 99 N ILE A 19 -4.806 -0.099 1.111 1.00 0.00 N ATOM 100 CA ILE A 19 -4.062 0.432 -0.024 1.00 0.00 C ATOM 101 C ILE A 19 -3.349 -0.681 -0.785 1.00 0.00 C ATOM 102 O ILE A 19 -2.368 -1.246 -0.302 1.00 0.00 O ATOM 103 CB ILE A 19 -3.021 1.476 0.424 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.682 2.550 1.291 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.346 2.105 -0.786 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.654 3.428 0.532 1.00 0.00 C ATOM 0 H ILE A 19 -4.255 -0.210 1.962 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.789 0.911 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.259 0.974 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.208 2.067 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.907 3.177 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.614 2.840 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.845 1.331 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.096 2.595 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.084 4.166 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.129 3.939 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.450 2.812 0.114 1.00 0.00 H new ATOM 118 N HIS A 20 -3.846 -0.987 -1.978 1.00 0.00 N ATOM 119 CA HIS A 20 -3.254 -2.030 -2.808 1.00 0.00 C ATOM 120 C HIS A 20 -2.012 -1.511 -3.523 1.00 0.00 C ATOM 121 O HIS A 20 -2.106 -0.686 -4.432 1.00 0.00 O ATOM 122 CB HIS A 20 -4.272 -2.538 -3.831 1.00 0.00 C ATOM 123 CG HIS A 20 -4.023 -3.948 -4.272 1.00 0.00 C ATOM 124 ND1 HIS A 20 -4.949 -4.691 -4.974 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.946 -4.751 -4.108 1.00 0.00 C ATOM 126 CE1 HIS A 20 -4.451 -5.890 -5.223 1.00 0.00 C ATOM 127 NE2 HIS A 20 -3.237 -5.951 -4.708 1.00 0.00 N ATOM 0 H HIS A 20 -4.657 -0.528 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.961 -2.856 -2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -5.271 -2.471 -3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.256 -1.885 -4.703 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.874 -4.366 -5.257 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.028 -4.495 -3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.952 -6.684 -5.757 1.00 0.00 H new ATOM 136 N ILE A 21 -0.850 -1.997 -3.105 1.00 0.00 N ATOM 137 CA ILE A 21 0.412 -1.580 -3.702 1.00 0.00 C ATOM 138 C ILE A 21 0.720 -2.378 -4.963 1.00 0.00 C ATOM 139 O ILE A 21 0.646 -3.607 -4.967 1.00 0.00 O ATOM 140 CB ILE A 21 1.581 -1.738 -2.711 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.302 -0.951 -1.430 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.883 -1.277 -3.350 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.496 -0.855 -0.506 1.00 0.00 C ATOM 0 H ILE A 21 -0.756 -2.681 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 21 0.303 -0.527 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 21 1.679 -2.792 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.977 0.055 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.477 -1.423 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.700 -1.395 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.086 -1.878 -4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.798 -0.228 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.224 -0.283 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.809 -1.856 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.316 -0.356 -1.022 1.00 0.00 H new ATOM 155 N ARG A 22 1.070 -1.671 -6.033 1.00 0.00 N ATOM 156 CA ARG A 22 1.394 -2.311 -7.302 1.00 0.00 C ATOM 157 C ARG A 22 2.887 -2.204 -7.592 1.00 0.00 C ATOM 158 O ARG A 22 3.605 -1.461 -6.923 1.00 0.00 O ATOM 159 CB ARG A 22 0.592 -1.677 -8.439 1.00 0.00 C ATOM 160 CG ARG A 22 0.377 -2.605 -9.623 1.00 0.00 C ATOM 161 CD ARG A 22 -0.994 -2.400 -10.248 1.00 0.00 C ATOM 162 NE ARG A 22 -1.606 -3.663 -10.650 1.00 0.00 N ATOM 163 CZ ARG A 22 -1.129 -4.439 -11.617 1.00 0.00 C ATOM 164 NH1 ARG A 22 -0.037 -4.078 -12.280 1.00 0.00 N ATOM 165 NH2 ARG A 22 -1.741 -5.575 -11.923 1.00 0.00 N ATOM 0 H ARG A 22 1.136 -0.653 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 22 1.129 -3.366 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.378 -1.360 -8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.108 -0.780 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.150 -2.427 -10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.479 -3.641 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.645 -1.892 -9.536 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.903 -1.749 -11.117 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.448 -3.967 -10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.436 -3.205 -12.047 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.329 -4.674 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.580 -5.855 -11.415 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.372 -6.169 -12.666 1.00 0.00 H new ATOM 179 N LYS A 23 3.350 -2.949 -8.589 1.00 0.00 N ATOM 180 CA LYS A 23 4.761 -2.931 -8.954 1.00 0.00 C ATOM 181 C LYS A 23 5.632 -3.045 -7.710 1.00 0.00 C ATOM 182 O LYS A 23 6.618 -2.324 -7.560 1.00 0.00 O ATOM 183 CB LYS A 23 5.100 -1.646 -9.710 1.00 0.00 C ATOM 184 CG LYS A 23 5.923 -1.877 -10.966 1.00 0.00 C ATOM 185 CD LYS A 23 6.823 -0.690 -11.269 1.00 0.00 C ATOM 186 CE LYS A 23 8.048 -1.109 -12.066 1.00 0.00 C ATOM 187 NZ LYS A 23 7.737 -2.205 -13.025 1.00 0.00 N ATOM 0 H LYS A 23 2.773 -3.570 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 23 4.959 -3.784 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.174 -1.139 -9.981 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.647 -0.977 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.531 -2.774 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.257 -2.055 -11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.263 0.059 -11.828 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.137 -0.223 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.438 -0.249 -12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.832 -1.436 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.417 -2.182 -13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.802 -3.122 -12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.774 -2.078 -13.397 1.00 0.00 H new ATOM 201 N LEU A 24 5.256 -3.954 -6.815 1.00 0.00 N ATOM 202 CA LEU A 24 5.998 -4.159 -5.579 1.00 0.00 C ATOM 203 C LEU A 24 6.319 -5.634 -5.374 1.00 0.00 C ATOM 204 O LEU A 24 5.500 -6.392 -4.856 1.00 0.00 O ATOM 205 CB LEU A 24 5.193 -3.630 -4.386 1.00 0.00 C ATOM 206 CG LEU A 24 5.846 -3.816 -3.011 1.00 0.00 C ATOM 207 CD1 LEU A 24 5.214 -4.985 -2.276 1.00 0.00 C ATOM 208 CD2 LEU A 24 7.348 -4.020 -3.146 1.00 0.00 C ATOM 0 H LEU A 24 4.442 -4.559 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 24 6.936 -3.609 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.007 -2.567 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.222 -4.126 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 24 5.678 -2.909 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.690 -5.103 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.149 -4.796 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.349 -5.897 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.788 -4.150 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.542 -4.907 -3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.791 -3.149 -3.629 1.00 0.00 H new ATOM 220 N PRO A 25 7.524 -6.057 -5.780 1.00 0.00 N ATOM 221 CA PRO A 25 7.963 -7.447 -5.640 1.00 0.00 C ATOM 222 C PRO A 25 7.822 -7.947 -4.207 1.00 0.00 C ATOM 223 O PRO A 25 8.802 -8.016 -3.465 1.00 0.00 O ATOM 224 CB PRO A 25 9.436 -7.402 -6.050 1.00 0.00 C ATOM 225 CG PRO A 25 9.550 -6.206 -6.929 1.00 0.00 C ATOM 226 CD PRO A 25 8.555 -5.210 -6.405 1.00 0.00 C ATOM 0 HA PRO A 25 7.365 -8.129 -6.244 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.086 -7.317 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.728 -8.310 -6.578 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.561 -5.798 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.336 -6.463 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.008 -4.530 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.141 -4.596 -7.205 1.00 0.00 H new ATOM 234 N ILE A 26 6.595 -8.290 -3.825 1.00 0.00 N ATOM 235 CA ILE A 26 6.321 -8.778 -2.479 1.00 0.00 C ATOM 236 C ILE A 26 7.484 -9.605 -1.949 1.00 0.00 C ATOM 237 O ILE A 26 7.831 -10.643 -2.514 1.00 0.00 O ATOM 238 CB ILE A 26 5.034 -9.622 -2.437 1.00 0.00 C ATOM 239 CG1 ILE A 26 3.813 -8.735 -2.683 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.913 -10.342 -1.101 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.612 -7.674 -1.624 1.00 0.00 C ATOM 0 H ILE A 26 5.775 -8.239 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 26 6.187 -7.902 -1.845 1.00 0.00 H new ATOM 0 HB ILE A 26 5.082 -10.372 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.915 -8.252 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.923 -9.362 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.998 -10.934 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.772 -10.999 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.883 -9.610 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.728 -7.083 -1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.478 -8.150 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.485 -7.023 -1.591 1.00 0.00 H new ATOM 253 N ASP A 27 8.075 -9.128 -0.857 1.00 0.00 N ATOM 254 CA ASP A 27 9.203 -9.789 -0.219 1.00 0.00 C ATOM 255 C ASP A 27 10.099 -8.758 0.457 1.00 0.00 C ATOM 256 O ASP A 27 10.887 -9.089 1.344 1.00 0.00 O ATOM 257 CB ASP A 27 10.011 -10.599 -1.233 1.00 0.00 C ATOM 258 CG ASP A 27 11.367 -11.012 -0.697 1.00 0.00 C ATOM 259 OD1 ASP A 27 11.454 -11.343 0.504 1.00 0.00 O ATOM 260 OD2 ASP A 27 12.342 -11.006 -1.478 1.00 0.00 O ATOM 0 H ASP A 27 7.782 -8.270 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 27 8.813 -10.475 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.448 -11.489 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.146 -10.009 -2.139 1.00 0.00 H new ATOM 265 N VAL A 28 9.964 -7.504 0.033 1.00 0.00 N ATOM 266 CA VAL A 28 10.749 -6.413 0.596 1.00 0.00 C ATOM 267 C VAL A 28 10.575 -6.346 2.107 1.00 0.00 C ATOM 268 O VAL A 28 10.252 -7.346 2.749 1.00 0.00 O ATOM 269 CB VAL A 28 10.354 -5.058 -0.026 1.00 0.00 C ATOM 270 CG1 VAL A 28 10.353 -5.150 -1.544 1.00 0.00 C ATOM 271 CG2 VAL A 28 8.998 -4.603 0.490 1.00 0.00 C ATOM 0 H VAL A 28 9.316 -7.219 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 28 11.795 -6.613 0.363 1.00 0.00 H new ATOM 0 HB VAL A 28 11.094 -4.314 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.072 -4.185 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.349 -5.423 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.637 -5.908 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.739 -3.645 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.242 -5.343 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.039 -4.494 1.574 1.00 0.00 H new ATOM 281 N THR A 29 10.792 -5.169 2.672 1.00 0.00 N ATOM 282 CA THR A 29 10.660 -4.988 4.112 1.00 0.00 C ATOM 283 C THR A 29 9.502 -4.059 4.458 1.00 0.00 C ATOM 284 O THR A 29 9.213 -3.109 3.729 1.00 0.00 O ATOM 285 CB THR A 29 11.954 -4.427 4.731 1.00 0.00 C ATOM 286 OG1 THR A 29 12.217 -3.117 4.215 1.00 0.00 O ATOM 287 CG2 THR A 29 13.134 -5.340 4.434 1.00 0.00 C ATOM 0 H THR A 29 11.059 -4.328 2.160 1.00 0.00 H new ATOM 0 HA THR A 29 10.461 -5.975 4.529 1.00 0.00 H new ATOM 0 HB THR A 29 11.820 -4.371 5.811 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.040 -2.767 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.037 -4.924 4.881 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.944 -6.328 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.268 -5.423 3.355 1.00 0.00 H new ATOM 295 N GLU A 30 8.847 -4.342 5.579 1.00 0.00 N ATOM 296 CA GLU A 30 7.722 -3.534 6.031 1.00 0.00 C ATOM 297 C GLU A 30 8.174 -2.113 6.344 1.00 0.00 C ATOM 298 O GLU A 30 7.433 -1.154 6.130 1.00 0.00 O ATOM 299 CB GLU A 30 7.080 -4.167 7.268 1.00 0.00 C ATOM 300 CG GLU A 30 6.849 -5.662 7.132 1.00 0.00 C ATOM 301 CD GLU A 30 7.914 -6.483 7.833 1.00 0.00 C ATOM 302 OE1 GLU A 30 9.070 -6.014 7.910 1.00 0.00 O ATOM 303 OE2 GLU A 30 7.593 -7.593 8.305 1.00 0.00 O ATOM 0 H GLU A 30 9.077 -5.125 6.191 1.00 0.00 H new ATOM 0 HA GLU A 30 6.983 -3.494 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.717 -3.983 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.127 -3.676 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.872 -5.914 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.828 -5.928 6.075 1.00 0.00 H new ATOM 310 N GLY A 31 9.397 -1.984 6.847 1.00 0.00 N ATOM 311 CA GLY A 31 9.928 -0.676 7.176 1.00 0.00 C ATOM 312 C GLY A 31 9.881 0.274 5.996 1.00 0.00 C ATOM 313 O GLY A 31 9.601 1.461 6.155 1.00 0.00 O ATOM 0 H GLY A 31 10.029 -2.763 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.359 -0.253 8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.958 -0.779 7.517 1.00 0.00 H new ATOM 317 N GLU A 32 10.153 -0.255 4.806 1.00 0.00 N ATOM 318 CA GLU A 32 10.137 0.549 3.591 1.00 0.00 C ATOM 319 C GLU A 32 8.715 0.984 3.254 1.00 0.00 C ATOM 320 O GLU A 32 8.423 2.178 3.175 1.00 0.00 O ATOM 321 CB GLU A 32 10.735 -0.237 2.424 1.00 0.00 C ATOM 322 CG GLU A 32 12.195 -0.610 2.626 1.00 0.00 C ATOM 323 CD GLU A 32 13.130 0.204 1.753 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.979 1.443 1.716 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.012 -0.399 1.108 1.00 0.00 O ATOM 0 H GLU A 32 10.387 -1.237 4.659 1.00 0.00 H new ATOM 0 HA GLU A 32 10.742 1.439 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.154 -1.147 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.642 0.354 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.462 -0.464 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.329 -1.669 2.407 1.00 0.00 H new ATOM 332 N VAL A 33 7.831 0.009 3.062 1.00 0.00 N ATOM 333 CA VAL A 33 6.440 0.297 2.740 1.00 0.00 C ATOM 334 C VAL A 33 5.835 1.252 3.764 1.00 0.00 C ATOM 335 O VAL A 33 5.164 2.221 3.406 1.00 0.00 O ATOM 336 CB VAL A 33 5.595 -0.990 2.688 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.123 -0.655 2.498 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.088 -1.909 1.580 1.00 0.00 C ATOM 0 H VAL A 33 8.054 -0.984 3.124 1.00 0.00 H new ATOM 0 HA VAL A 33 6.429 0.764 1.755 1.00 0.00 H new ATOM 0 HB VAL A 33 5.705 -1.514 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.542 -1.576 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.779 -0.040 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.992 -0.108 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.479 -2.813 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.011 -1.397 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.128 -2.177 1.765 1.00 0.00 H new ATOM 348 N ILE A 34 6.085 0.976 5.040 1.00 0.00 N ATOM 349 CA ILE A 34 5.576 1.809 6.113 1.00 0.00 C ATOM 350 C ILE A 34 6.229 3.189 6.071 1.00 0.00 C ATOM 351 O ILE A 34 5.570 4.205 6.292 1.00 0.00 O ATOM 352 CB ILE A 34 5.829 1.150 7.485 1.00 0.00 C ATOM 353 CG1 ILE A 34 4.814 0.034 7.734 1.00 0.00 C ATOM 354 CG2 ILE A 34 5.768 2.180 8.598 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.424 -1.351 7.728 1.00 0.00 C ATOM 0 H ILE A 34 6.639 0.179 5.352 1.00 0.00 H new ATOM 0 HA ILE A 34 4.501 1.921 5.974 1.00 0.00 H new ATOM 0 HB ILE A 34 6.829 0.717 7.477 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.328 0.204 8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.037 0.083 6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.949 1.692 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.528 2.943 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.783 2.646 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.646 -2.092 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.886 -1.541 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.181 -1.419 8.510 1.00 0.00 H new ATOM 367 N SER A 35 7.525 3.216 5.776 1.00 0.00 N ATOM 368 CA SER A 35 8.257 4.474 5.695 1.00 0.00 C ATOM 369 C SER A 35 7.433 5.513 4.946 1.00 0.00 C ATOM 370 O SER A 35 7.344 6.669 5.358 1.00 0.00 O ATOM 371 CB SER A 35 9.602 4.266 4.995 1.00 0.00 C ATOM 372 OG SER A 35 9.791 5.216 3.962 1.00 0.00 O ATOM 0 H SER A 35 8.087 2.385 5.590 1.00 0.00 H new ATOM 0 HA SER A 35 8.443 4.833 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.410 4.349 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.648 3.259 4.580 1.00 0.00 H new ATOM 0 HG SER A 35 10.658 5.063 3.532 1.00 0.00 H new ATOM 378 N LEU A 36 6.820 5.083 3.847 1.00 0.00 N ATOM 379 CA LEU A 36 5.987 5.966 3.042 1.00 0.00 C ATOM 380 C LEU A 36 4.628 6.158 3.703 1.00 0.00 C ATOM 381 O LEU A 36 3.957 7.167 3.492 1.00 0.00 O ATOM 382 CB LEU A 36 5.808 5.393 1.635 1.00 0.00 C ATOM 383 CG LEU A 36 7.102 5.208 0.841 1.00 0.00 C ATOM 384 CD1 LEU A 36 6.971 4.046 -0.131 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.457 6.488 0.099 1.00 0.00 C ATOM 0 H LEU A 36 6.885 4.128 3.495 1.00 0.00 H new ATOM 0 HA LEU A 36 6.482 6.934 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.307 4.428 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.146 6.051 1.073 1.00 0.00 H new ATOM 0 HG LEU A 36 7.906 4.980 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.901 3.930 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.762 3.130 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.155 4.244 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.380 6.340 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.652 6.745 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.593 7.298 0.816 1.00 0.00 H new ATOM 397 N GLY A 37 4.232 5.176 4.510 1.00 0.00 N ATOM 398 CA GLY A 37 2.958 5.249 5.199 1.00 0.00 C ATOM 399 C GLY A 37 3.028 6.095 6.455 1.00 0.00 C ATOM 400 O GLY A 37 1.999 6.507 6.990 1.00 0.00 O ATOM 0 H GLY A 37 4.772 4.332 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.207 5.664 4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.631 4.243 5.460 1.00 0.00 H new ATOM 404 N LEU A 38 4.243 6.354 6.926 1.00 0.00 N ATOM 405 CA LEU A 38 4.440 7.158 8.128 1.00 0.00 C ATOM 406 C LEU A 38 3.833 8.547 7.954 1.00 0.00 C ATOM 407 O LEU A 38 3.009 8.979 8.760 1.00 0.00 O ATOM 408 CB LEU A 38 5.930 7.271 8.458 1.00 0.00 C ATOM 409 CG LEU A 38 6.349 6.632 9.784 1.00 0.00 C ATOM 410 CD1 LEU A 38 6.282 5.115 9.689 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.749 7.083 10.172 1.00 0.00 C ATOM 0 H LEU A 38 5.105 6.020 6.495 1.00 0.00 H new ATOM 0 HA LEU A 38 3.934 6.661 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.501 6.809 7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.203 8.326 8.478 1.00 0.00 H new ATOM 0 HG LEU A 38 5.656 6.958 10.559 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.583 4.677 10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.262 4.810 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.953 4.770 8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.032 6.620 11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.455 6.786 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.765 8.167 10.281 1.00 0.00 H new ATOM 423 N PRO A 39 4.232 9.263 6.891 1.00 0.00 N ATOM 424 CA PRO A 39 3.719 10.608 6.607 1.00 0.00 C ATOM 425 C PRO A 39 2.203 10.615 6.451 1.00 0.00 C ATOM 426 O PRO A 39 1.508 11.421 7.070 1.00 0.00 O ATOM 427 CB PRO A 39 4.394 10.984 5.283 1.00 0.00 C ATOM 428 CG PRO A 39 5.586 10.094 5.190 1.00 0.00 C ATOM 429 CD PRO A 39 5.204 8.817 5.881 1.00 0.00 C ATOM 0 HA PRO A 39 3.933 11.306 7.416 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.721 10.831 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.684 12.035 5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.855 9.909 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.453 10.552 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.765 8.099 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.067 8.332 6.338 1.00 0.00 H new ATOM 437 N PHE A 40 1.698 9.708 5.622 1.00 0.00 N ATOM 438 CA PHE A 40 0.265 9.601 5.383 1.00 0.00 C ATOM 439 C PHE A 40 -0.493 9.456 6.697 1.00 0.00 C ATOM 440 O PHE A 40 -1.623 9.926 6.830 1.00 0.00 O ATOM 441 CB PHE A 40 -0.021 8.404 4.474 1.00 0.00 C ATOM 442 CG PHE A 40 0.569 8.553 3.102 1.00 0.00 C ATOM 443 CD1 PHE A 40 0.390 9.722 2.381 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.310 7.529 2.535 1.00 0.00 C ATOM 445 CE1 PHE A 40 0.938 9.868 1.121 1.00 0.00 C ATOM 446 CE2 PHE A 40 1.860 7.668 1.276 1.00 0.00 C ATOM 447 CZ PHE A 40 1.675 8.839 0.568 1.00 0.00 C ATOM 0 H PHE A 40 2.262 9.035 5.103 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.075 10.513 4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.375 7.501 4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.099 8.271 4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.185 10.530 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.459 6.611 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.790 10.785 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.435 6.861 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.106 8.950 -0.416 1.00 0.00 H new ATOM 457 N GLY A 41 0.140 8.804 7.664 1.00 0.00 N ATOM 458 CA GLY A 41 -0.482 8.606 8.957 1.00 0.00 C ATOM 459 C GLY A 41 0.180 7.496 9.746 1.00 0.00 C ATOM 460 O GLY A 41 1.269 7.675 10.290 1.00 0.00 O ATOM 0 H GLY A 41 1.076 8.408 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.434 9.534 9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.537 8.372 8.819 1.00 0.00 H new ATOM 464 N LYS A 42 -0.476 6.343 9.803 1.00 0.00 N ATOM 465 CA LYS A 42 0.061 5.199 10.528 1.00 0.00 C ATOM 466 C LYS A 42 -0.405 3.889 9.904 1.00 0.00 C ATOM 467 O LYS A 42 -1.539 3.779 9.439 1.00 0.00 O ATOM 468 CB LYS A 42 -0.361 5.253 11.997 1.00 0.00 C ATOM 469 CG LYS A 42 0.554 6.105 12.863 1.00 0.00 C ATOM 470 CD LYS A 42 0.257 5.914 14.341 1.00 0.00 C ATOM 471 CE LYS A 42 1.532 5.708 15.143 1.00 0.00 C ATOM 472 NZ LYS A 42 2.253 4.470 14.733 1.00 0.00 N ATOM 0 H LYS A 42 -1.378 6.176 9.357 1.00 0.00 H new ATOM 0 HA LYS A 42 1.148 5.244 10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.376 5.645 12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.385 4.239 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.593 5.844 12.663 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.433 7.156 12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.277 6.785 14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.400 5.054 14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.187 6.570 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.288 5.652 16.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.812 4.113 15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.564 3.747 14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.886 4.685 13.937 1.00 0.00 H new ATOM 486 N VAL A 43 0.475 2.893 9.908 1.00 0.00 N ATOM 487 CA VAL A 43 0.149 1.587 9.353 1.00 0.00 C ATOM 488 C VAL A 43 -0.523 0.712 10.405 1.00 0.00 C ATOM 489 O VAL A 43 0.088 0.356 11.413 1.00 0.00 O ATOM 490 CB VAL A 43 1.404 0.871 8.821 1.00 0.00 C ATOM 491 CG1 VAL A 43 1.097 -0.586 8.507 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.944 1.587 7.592 1.00 0.00 C ATOM 0 H VAL A 43 1.418 2.967 10.289 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.536 1.750 8.521 1.00 0.00 H new ATOM 0 HB VAL A 43 2.171 0.896 9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.996 -1.075 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.760 -1.090 9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.314 -0.638 7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.831 1.068 7.229 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.183 1.595 6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.205 2.612 7.854 1.00 0.00 H new ATOM 502 N THR A 44 -1.788 0.380 10.171 1.00 0.00 N ATOM 503 CA THR A 44 -2.548 -0.440 11.107 1.00 0.00 C ATOM 504 C THR A 44 -2.392 -1.926 10.801 1.00 0.00 C ATOM 505 O THR A 44 -2.894 -2.776 11.537 1.00 0.00 O ATOM 506 CB THR A 44 -4.042 -0.073 11.088 1.00 0.00 C ATOM 507 OG1 THR A 44 -4.762 -0.971 10.236 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.228 1.353 10.610 1.00 0.00 C ATOM 0 H THR A 44 -2.308 0.666 9.342 1.00 0.00 H new ATOM 0 HA THR A 44 -2.145 -0.239 12.099 1.00 0.00 H new ATOM 0 HB THR A 44 -4.432 -0.158 12.102 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.543 -1.320 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.290 1.598 10.602 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.704 2.033 11.281 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.824 1.455 9.603 1.00 0.00 H new ATOM 516 N ASN A 45 -1.693 -2.234 9.713 1.00 0.00 N ATOM 517 CA ASN A 45 -1.470 -3.618 9.312 1.00 0.00 C ATOM 518 C ASN A 45 -0.717 -3.685 7.987 1.00 0.00 C ATOM 519 O ASN A 45 -0.819 -2.781 7.158 1.00 0.00 O ATOM 520 CB ASN A 45 -2.804 -4.357 9.193 1.00 0.00 C ATOM 521 CG ASN A 45 -2.983 -5.407 10.273 1.00 0.00 C ATOM 522 OD1 ASN A 45 -3.844 -5.278 11.142 1.00 0.00 O ATOM 523 ND2 ASN A 45 -2.166 -6.453 10.223 1.00 0.00 N ATOM 0 H ASN A 45 -1.271 -1.543 9.093 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.863 -4.100 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.621 -3.638 9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.867 -4.832 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.238 -7.191 10.924 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.466 -6.519 9.484 1.00 0.00 H new ATOM 530 N LEU A 46 0.039 -4.762 7.794 1.00 0.00 N ATOM 531 CA LEU A 46 0.810 -4.944 6.569 1.00 0.00 C ATOM 532 C LEU A 46 0.714 -6.383 6.071 1.00 0.00 C ATOM 533 O LEU A 46 1.002 -7.325 6.809 1.00 0.00 O ATOM 534 CB LEU A 46 2.274 -4.570 6.802 1.00 0.00 C ATOM 535 CG LEU A 46 3.130 -4.480 5.536 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.312 -3.931 4.378 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.356 -3.614 5.786 1.00 0.00 C ATOM 0 H LEU A 46 0.134 -5.521 8.469 1.00 0.00 H new ATOM 0 HA LEU A 46 0.391 -4.287 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.310 -3.609 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.719 -5.306 7.471 1.00 0.00 H new ATOM 0 HG LEU A 46 3.465 -5.483 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.936 -3.874 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.465 -4.590 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.947 -2.935 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.955 -3.560 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.041 -2.611 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.952 -4.050 6.587 1.00 0.00 H new ATOM 549 N LEU A 47 0.310 -6.543 4.816 1.00 0.00 N ATOM 550 CA LEU A 47 0.178 -7.865 4.216 1.00 0.00 C ATOM 551 C LEU A 47 0.802 -7.891 2.825 1.00 0.00 C ATOM 552 O LEU A 47 0.440 -7.098 1.956 1.00 0.00 O ATOM 553 CB LEU A 47 -1.296 -8.267 4.135 1.00 0.00 C ATOM 554 CG LEU A 47 -1.555 -9.672 3.590 1.00 0.00 C ATOM 555 CD1 LEU A 47 -1.527 -10.696 4.714 1.00 0.00 C ATOM 556 CD2 LEU A 47 -2.887 -9.721 2.855 1.00 0.00 C ATOM 0 H LEU A 47 0.068 -5.772 4.193 1.00 0.00 H new ATOM 0 HA LEU A 47 0.706 -8.580 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.732 -8.194 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.819 -7.547 3.505 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.762 -9.918 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.713 -11.689 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.550 -10.680 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.298 -10.454 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.055 -10.728 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.691 -9.454 3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.870 -9.016 2.024 1.00 0.00 H new ATOM 568 N MET A 48 1.746 -8.805 2.620 1.00 0.00 N ATOM 569 CA MET A 48 2.421 -8.930 1.334 1.00 0.00 C ATOM 570 C MET A 48 2.003 -10.212 0.620 1.00 0.00 C ATOM 571 O MET A 48 2.172 -11.311 1.148 1.00 0.00 O ATOM 572 CB MET A 48 3.940 -8.910 1.527 1.00 0.00 C ATOM 573 CG MET A 48 4.402 -7.979 2.637 1.00 0.00 C ATOM 574 SD MET A 48 5.149 -6.463 2.009 1.00 0.00 S ATOM 575 CE MET A 48 6.833 -7.004 1.728 1.00 0.00 C ATOM 0 H MET A 48 2.060 -9.469 3.328 1.00 0.00 H new ATOM 0 HA MET A 48 2.129 -8.081 0.716 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.283 -9.921 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.412 -8.609 0.592 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.552 -7.725 3.270 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.123 -8.501 3.266 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.520 -6.350 2.265 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.951 -8.027 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.054 -6.965 0.661 1.00 0.00 H new ATOM 585 N LEU A 49 1.459 -10.063 -0.584 1.00 0.00 N ATOM 586 CA LEU A 49 1.018 -11.209 -1.370 1.00 0.00 C ATOM 587 C LEU A 49 2.064 -11.591 -2.413 1.00 0.00 C ATOM 588 O LEU A 49 2.060 -11.073 -3.531 1.00 0.00 O ATOM 589 CB LEU A 49 -0.313 -10.901 -2.057 1.00 0.00 C ATOM 590 CG LEU A 49 -1.539 -10.943 -1.142 1.00 0.00 C ATOM 591 CD1 LEU A 49 -2.818 -10.968 -1.964 1.00 0.00 C ATOM 592 CD2 LEU A 49 -1.472 -12.152 -0.221 1.00 0.00 C ATOM 0 H LEU A 49 1.313 -9.160 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 49 0.884 -12.051 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.250 -9.912 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.459 -11.614 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.544 -10.042 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.679 -10.998 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.870 -10.073 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.823 -11.852 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.351 -12.168 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.444 -13.063 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.573 -12.092 0.393 1.00 0.00 H new ATOM 604 N LYS A 50 2.959 -12.499 -2.038 1.00 0.00 N ATOM 605 CA LYS A 50 4.013 -12.952 -2.938 1.00 0.00 C ATOM 606 C LYS A 50 3.476 -13.150 -4.351 1.00 0.00 C ATOM 607 O LYS A 50 4.213 -13.027 -5.329 1.00 0.00 O ATOM 608 CB LYS A 50 4.624 -14.257 -2.423 1.00 0.00 C ATOM 609 CG LYS A 50 5.297 -14.120 -1.067 1.00 0.00 C ATOM 610 CD LYS A 50 6.487 -13.177 -1.128 1.00 0.00 C ATOM 611 CE LYS A 50 6.626 -12.372 0.154 1.00 0.00 C ATOM 612 NZ LYS A 50 7.174 -13.193 1.269 1.00 0.00 N ATOM 0 H LYS A 50 2.975 -12.936 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 50 4.786 -12.184 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.842 -15.013 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.355 -14.617 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.576 -13.751 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.626 -15.100 -0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.398 -13.750 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.373 -12.499 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.279 -11.518 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.652 -11.975 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.253 -12.607 2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.538 -13.994 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.114 -13.551 1.007 1.00 0.00 H new ATOM 626 N GLY A 51 2.186 -13.457 -4.453 1.00 0.00 N ATOM 627 CA GLY A 51 1.574 -13.666 -5.751 1.00 0.00 C ATOM 628 C GLY A 51 1.201 -12.365 -6.434 1.00 0.00 C ATOM 629 O GLY A 51 0.550 -11.508 -5.837 1.00 0.00 O ATOM 0 H GLY A 51 1.555 -13.565 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.262 -14.223 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.681 -14.280 -5.633 1.00 0.00 H new ATOM 633 N LYS A 52 1.614 -12.217 -7.689 1.00 0.00 N ATOM 634 CA LYS A 52 1.320 -11.011 -8.454 1.00 0.00 C ATOM 635 C LYS A 52 2.055 -9.806 -7.878 1.00 0.00 C ATOM 636 O LYS A 52 1.721 -8.660 -8.180 1.00 0.00 O ATOM 637 CB LYS A 52 -0.187 -10.744 -8.467 1.00 0.00 C ATOM 638 CG LYS A 52 -0.985 -11.796 -9.217 1.00 0.00 C ATOM 639 CD LYS A 52 -0.933 -11.569 -10.720 1.00 0.00 C ATOM 640 CE LYS A 52 0.289 -12.227 -11.340 1.00 0.00 C ATOM 641 NZ LYS A 52 -0.071 -13.076 -12.509 1.00 0.00 N ATOM 0 H LYS A 52 2.153 -12.918 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 52 1.664 -11.169 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.547 -10.691 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.371 -9.770 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.593 -12.786 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.022 -11.776 -8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.836 -11.969 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.916 -10.499 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.996 -11.458 -11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.793 -12.837 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.790 -13.507 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.725 -13.825 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.529 -12.490 -13.236 1.00 0.00 H new ATOM 655 N ASN A 53 3.059 -10.072 -7.048 1.00 0.00 N ATOM 656 CA ASN A 53 3.842 -9.008 -6.430 1.00 0.00 C ATOM 657 C ASN A 53 2.960 -7.812 -6.089 1.00 0.00 C ATOM 658 O ASN A 53 2.948 -6.812 -6.809 1.00 0.00 O ATOM 659 CB ASN A 53 4.974 -8.571 -7.361 1.00 0.00 C ATOM 660 CG ASN A 53 6.068 -9.616 -7.467 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.500 -9.968 -8.565 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.522 -10.116 -6.324 1.00 0.00 N ATOM 0 H ASN A 53 3.349 -11.015 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 53 4.270 -9.397 -5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.569 -8.371 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.401 -7.637 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.259 -10.822 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.134 -9.795 -5.437 1.00 0.00 H new ATOM 669 N GLN A 54 2.224 -7.920 -4.990 1.00 0.00 N ATOM 670 CA GLN A 54 1.340 -6.844 -4.556 1.00 0.00 C ATOM 671 C GLN A 54 1.191 -6.838 -3.039 1.00 0.00 C ATOM 672 O GLN A 54 0.959 -7.879 -2.423 1.00 0.00 O ATOM 673 CB GLN A 54 -0.033 -6.991 -5.214 1.00 0.00 C ATOM 674 CG GLN A 54 -0.120 -6.350 -6.589 1.00 0.00 C ATOM 675 CD GLN A 54 -0.815 -7.239 -7.603 1.00 0.00 C ATOM 676 OE1 GLN A 54 -0.284 -7.502 -8.682 1.00 0.00 O ATOM 677 NE2 GLN A 54 -2.010 -7.707 -7.259 1.00 0.00 N ATOM 0 H GLN A 54 2.221 -8.740 -4.383 1.00 0.00 H new ATOM 0 HA GLN A 54 1.784 -5.897 -4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.274 -8.051 -5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.787 -6.545 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.657 -5.404 -6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.885 -6.118 -6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.412 -7.463 -6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.525 -8.310 -7.900 1.00 0.00 H new ATOM 686 N ALA A 55 1.323 -5.658 -2.442 1.00 0.00 N ATOM 687 CA ALA A 55 1.199 -5.516 -0.996 1.00 0.00 C ATOM 688 C ALA A 55 -0.082 -4.777 -0.634 1.00 0.00 C ATOM 689 O ALA A 55 -0.742 -4.200 -1.497 1.00 0.00 O ATOM 690 CB ALA A 55 2.409 -4.791 -0.428 1.00 0.00 C ATOM 0 H ALA A 55 1.516 -4.787 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 55 1.154 -6.513 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.301 -4.693 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.312 -5.359 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.483 -3.800 -0.876 1.00 0.00 H new ATOM 696 N PHE A 56 -0.437 -4.802 0.647 1.00 0.00 N ATOM 697 CA PHE A 56 -1.646 -4.135 1.113 1.00 0.00 C ATOM 698 C PHE A 56 -1.479 -3.617 2.537 1.00 0.00 C ATOM 699 O PHE A 56 -1.312 -4.397 3.475 1.00 0.00 O ATOM 700 CB PHE A 56 -2.836 -5.094 1.049 1.00 0.00 C ATOM 701 CG PHE A 56 -2.812 -6.008 -0.144 1.00 0.00 C ATOM 702 CD1 PHE A 56 -1.812 -6.958 -0.289 1.00 0.00 C ATOM 703 CD2 PHE A 56 -3.791 -5.917 -1.120 1.00 0.00 C ATOM 704 CE1 PHE A 56 -1.791 -7.798 -1.385 1.00 0.00 C ATOM 705 CE2 PHE A 56 -3.775 -6.757 -2.218 1.00 0.00 C ATOM 706 CZ PHE A 56 -2.773 -7.699 -2.351 1.00 0.00 C ATOM 0 H PHE A 56 0.094 -5.275 1.378 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.830 -3.283 0.458 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.855 -5.697 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.759 -4.514 1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.042 -7.042 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.576 -5.181 -1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.006 -8.533 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.545 -6.677 -2.971 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.758 -8.356 -3.208 1.00 0.00 H new ATOM 716 N ILE A 57 -1.535 -2.298 2.696 1.00 0.00 N ATOM 717 CA ILE A 57 -1.401 -1.684 4.012 1.00 0.00 C ATOM 718 C ILE A 57 -2.734 -1.121 4.483 1.00 0.00 C ATOM 719 O ILE A 57 -3.604 -0.796 3.674 1.00 0.00 O ATOM 720 CB ILE A 57 -0.339 -0.564 4.023 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.908 0.739 3.454 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.889 -0.993 3.239 1.00 0.00 C ATOM 723 CD1 ILE A 57 0.001 1.933 3.656 1.00 0.00 C ATOM 0 H ILE A 57 -1.672 -1.636 1.932 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.075 -2.469 4.694 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.049 -0.382 5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.094 0.610 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.871 0.942 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.629 -0.193 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.314 -1.890 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.607 -1.205 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.465 2.821 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.167 2.088 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.956 1.751 3.163 1.00 0.00 H new ATOM 735 N GLU A 58 -2.891 -1.009 5.795 1.00 0.00 N ATOM 736 CA GLU A 58 -4.121 -0.486 6.373 1.00 0.00 C ATOM 737 C GLU A 58 -3.848 0.770 7.190 1.00 0.00 C ATOM 738 O GLU A 58 -3.100 0.737 8.167 1.00 0.00 O ATOM 739 CB GLU A 58 -4.788 -1.547 7.251 1.00 0.00 C ATOM 740 CG GLU A 58 -6.295 -1.382 7.365 1.00 0.00 C ATOM 741 CD GLU A 58 -6.703 -0.592 8.593 1.00 0.00 C ATOM 742 OE1 GLU A 58 -6.289 0.581 8.709 1.00 0.00 O ATOM 743 OE2 GLU A 58 -7.436 -1.146 9.439 1.00 0.00 O ATOM 0 H GLU A 58 -2.182 -1.273 6.479 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.794 -0.225 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.569 -2.534 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.350 -1.509 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.670 -0.880 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.763 -2.366 7.398 1.00 0.00 H new ATOM 750 N MET A 59 -4.459 1.878 6.787 1.00 0.00 N ATOM 751 CA MET A 59 -4.284 3.147 7.483 1.00 0.00 C ATOM 752 C MET A 59 -5.331 3.307 8.580 1.00 0.00 C ATOM 753 O MET A 59 -6.489 2.926 8.404 1.00 0.00 O ATOM 754 CB MET A 59 -4.374 4.311 6.495 1.00 0.00 C ATOM 755 CG MET A 59 -3.608 4.074 5.203 1.00 0.00 C ATOM 756 SD MET A 59 -1.983 3.345 5.482 1.00 0.00 S ATOM 757 CE MET A 59 -1.105 4.728 6.204 1.00 0.00 C ATOM 0 H MET A 59 -5.081 1.923 5.980 1.00 0.00 H new ATOM 0 HA MET A 59 -3.296 3.152 7.944 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.422 4.495 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.992 5.213 6.973 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.190 3.418 4.556 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.491 5.021 4.676 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.067 4.447 6.382 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.139 5.577 5.521 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.574 5.003 7.149 1.00 0.00 H new ATOM 767 N ASN A 60 -4.922 3.870 9.712 1.00 0.00 N ATOM 768 CA ASN A 60 -5.836 4.070 10.834 1.00 0.00 C ATOM 769 C ASN A 60 -6.806 5.212 10.549 1.00 0.00 C ATOM 770 O ASN A 60 -7.917 5.240 11.079 1.00 0.00 O ATOM 771 CB ASN A 60 -5.066 4.359 12.126 1.00 0.00 C ATOM 772 CG ASN A 60 -3.790 3.554 12.249 1.00 0.00 C ATOM 773 OD1 ASN A 60 -3.756 2.525 12.925 1.00 0.00 O ATOM 774 ND2 ASN A 60 -2.732 4.015 11.598 1.00 0.00 N ATOM 0 H ASN A 60 -3.969 4.195 9.878 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.403 3.148 10.962 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.824 5.421 12.168 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.708 4.144 12.980 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.845 3.513 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.804 4.872 11.049 1.00 0.00 H new ATOM 781 N THR A 61 -6.381 6.154 9.711 1.00 0.00 N ATOM 782 CA THR A 61 -7.218 7.296 9.365 1.00 0.00 C ATOM 783 C THR A 61 -7.410 7.403 7.856 1.00 0.00 C ATOM 784 O THR A 61 -6.469 7.219 7.086 1.00 0.00 O ATOM 785 CB THR A 61 -6.615 8.612 9.887 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.394 9.725 9.430 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.176 8.771 9.422 1.00 0.00 C ATOM 0 H THR A 61 -5.466 6.148 9.261 1.00 0.00 H new ATOM 0 HA THR A 61 -8.185 7.133 9.840 1.00 0.00 H new ATOM 0 HB THR A 61 -6.627 8.583 10.977 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.004 10.558 9.768 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.772 9.709 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.579 7.939 9.796 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.144 8.779 8.332 1.00 0.00 H new ATOM 795 N GLU A 62 -8.637 7.703 7.442 1.00 0.00 N ATOM 796 CA GLU A 62 -8.954 7.837 6.025 1.00 0.00 C ATOM 797 C GLU A 62 -7.974 8.784 5.341 1.00 0.00 C ATOM 798 O GLU A 62 -7.568 8.557 4.202 1.00 0.00 O ATOM 799 CB GLU A 62 -10.386 8.345 5.845 1.00 0.00 C ATOM 800 CG GLU A 62 -11.444 7.284 6.096 1.00 0.00 C ATOM 801 CD GLU A 62 -12.759 7.873 6.570 1.00 0.00 C ATOM 802 OE1 GLU A 62 -13.124 8.968 6.096 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.422 7.237 7.417 1.00 0.00 O ATOM 0 H GLU A 62 -9.428 7.858 8.068 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.867 6.854 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.554 9.181 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.502 8.729 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.612 6.720 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.076 6.579 6.841 1.00 0.00 H new ATOM 810 N GLU A 63 -7.596 9.845 6.047 1.00 0.00 N ATOM 811 CA GLU A 63 -6.659 10.825 5.509 1.00 0.00 C ATOM 812 C GLU A 63 -5.335 10.163 5.150 1.00 0.00 C ATOM 813 O GLU A 63 -4.621 10.623 4.258 1.00 0.00 O ATOM 814 CB GLU A 63 -6.426 11.948 6.523 1.00 0.00 C ATOM 815 CG GLU A 63 -6.292 13.322 5.889 1.00 0.00 C ATOM 816 CD GLU A 63 -5.660 14.335 6.823 1.00 0.00 C ATOM 817 OE1 GLU A 63 -6.406 14.982 7.588 1.00 0.00 O ATOM 818 OE2 GLU A 63 -4.420 14.482 6.790 1.00 0.00 O ATOM 0 H GLU A 63 -7.924 10.048 6.991 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.091 11.250 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.254 11.963 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.523 11.730 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.690 13.243 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.278 13.677 5.587 1.00 0.00 H new ATOM 825 N ALA A 64 -5.013 9.079 5.848 1.00 0.00 N ATOM 826 CA ALA A 64 -3.775 8.351 5.602 1.00 0.00 C ATOM 827 C ALA A 64 -3.879 7.516 4.330 1.00 0.00 C ATOM 828 O ALA A 64 -2.983 7.539 3.486 1.00 0.00 O ATOM 829 CB ALA A 64 -3.438 7.465 6.793 1.00 0.00 C ATOM 0 H ALA A 64 -5.593 8.686 6.589 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.973 9.077 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.511 6.927 6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.317 8.082 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.245 6.750 6.955 1.00 0.00 H new ATOM 835 N ALA A 65 -4.979 6.785 4.198 1.00 0.00 N ATOM 836 CA ALA A 65 -5.203 5.946 3.026 1.00 0.00 C ATOM 837 C ALA A 65 -5.229 6.783 1.752 1.00 0.00 C ATOM 838 O ALA A 65 -4.452 6.547 0.826 1.00 0.00 O ATOM 839 CB ALA A 65 -6.501 5.167 3.175 1.00 0.00 C ATOM 0 H ALA A 65 -5.730 6.756 4.888 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.376 5.240 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.655 4.545 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.446 4.534 4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.333 5.863 3.278 1.00 0.00 H new ATOM 845 N ASN A 66 -6.125 7.764 1.712 1.00 0.00 N ATOM 846 CA ASN A 66 -6.250 8.638 0.553 1.00 0.00 C ATOM 847 C ASN A 66 -4.897 9.228 0.169 1.00 0.00 C ATOM 848 O ASN A 66 -4.325 8.876 -0.863 1.00 0.00 O ATOM 849 CB ASN A 66 -7.243 9.765 0.841 1.00 0.00 C ATOM 850 CG ASN A 66 -8.526 9.624 0.046 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.500 9.385 -1.161 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.660 9.772 0.722 1.00 0.00 N ATOM 0 H ASN A 66 -6.775 7.973 2.470 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.619 8.041 -0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.478 9.775 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.778 10.723 0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.555 9.688 0.241 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.635 9.969 1.722 1.00 0.00 H new ATOM 859 N THR A 67 -4.390 10.125 1.007 1.00 0.00 N ATOM 860 CA THR A 67 -3.104 10.764 0.757 1.00 0.00 C ATOM 861 C THR A 67 -2.081 9.757 0.242 1.00 0.00 C ATOM 862 O THR A 67 -1.152 10.116 -0.481 1.00 0.00 O ATOM 863 CB THR A 67 -2.552 11.434 2.029 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.574 12.219 2.653 1.00 0.00 O ATOM 865 CG2 THR A 67 -1.356 12.316 1.701 1.00 0.00 C ATOM 0 H THR A 67 -4.850 10.426 1.866 1.00 0.00 H new ATOM 0 HA THR A 67 -3.273 11.528 -0.002 1.00 0.00 H new ATOM 0 HB THR A 67 -2.228 10.650 2.714 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.742 11.879 3.557 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.983 12.778 2.615 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.568 11.709 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.658 13.093 0.999 1.00 0.00 H new ATOM 873 N MET A 68 -2.261 8.496 0.618 1.00 0.00 N ATOM 874 CA MET A 68 -1.353 7.434 0.193 1.00 0.00 C ATOM 875 C MET A 68 -1.321 7.323 -1.327 1.00 0.00 C ATOM 876 O MET A 68 -0.293 7.572 -1.957 1.00 0.00 O ATOM 877 CB MET A 68 -1.778 6.099 0.806 1.00 0.00 C ATOM 878 CG MET A 68 -0.622 5.301 1.388 1.00 0.00 C ATOM 879 SD MET A 68 0.744 5.113 0.226 1.00 0.00 S ATOM 880 CE MET A 68 1.826 4.025 1.150 1.00 0.00 C ATOM 0 H MET A 68 -3.026 8.183 1.216 1.00 0.00 H new ATOM 0 HA MET A 68 -0.351 7.683 0.541 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.511 6.286 1.591 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.274 5.500 0.043 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.262 5.795 2.290 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.979 4.315 1.686 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.843 4.418 1.127 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.484 3.963 2.183 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.811 3.031 0.703 1.00 0.00 H new ATOM 890 N VAL A 69 -2.454 6.944 -1.911 1.00 0.00 N ATOM 891 CA VAL A 69 -2.557 6.798 -3.357 1.00 0.00 C ATOM 892 C VAL A 69 -2.627 8.157 -4.043 1.00 0.00 C ATOM 893 O VAL A 69 -2.062 8.351 -5.120 1.00 0.00 O ATOM 894 CB VAL A 69 -3.798 5.975 -3.750 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.983 5.973 -5.259 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.688 4.554 -3.216 1.00 0.00 C ATOM 0 H VAL A 69 -3.313 6.733 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.661 6.273 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.676 6.440 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.865 5.386 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.112 6.996 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.105 5.535 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.574 3.988 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.801 4.076 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.610 4.579 -2.129 1.00 0.00 H new ATOM 906 N ASN A 70 -3.325 9.096 -3.413 1.00 0.00 N ATOM 907 CA ASN A 70 -3.473 10.438 -3.962 1.00 0.00 C ATOM 908 C ASN A 70 -2.114 11.104 -4.151 1.00 0.00 C ATOM 909 O ASN A 70 -1.714 11.414 -5.273 1.00 0.00 O ATOM 910 CB ASN A 70 -4.349 11.292 -3.044 1.00 0.00 C ATOM 911 CG ASN A 70 -4.342 12.757 -3.436 1.00 0.00 C ATOM 912 OD1 ASN A 70 -5.065 13.172 -4.342 1.00 0.00 O ATOM 913 ND2 ASN A 70 -3.524 13.549 -2.753 1.00 0.00 N ATOM 0 H ASN A 70 -3.798 8.952 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.953 10.353 -4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.372 10.917 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.999 11.192 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.477 14.544 -2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.942 13.162 -2.010 1.00 0.00 H new ATOM 920 N TYR A 71 -1.410 11.326 -3.047 1.00 0.00 N ATOM 921 CA TYR A 71 -0.097 11.958 -3.090 1.00 0.00 C ATOM 922 C TYR A 71 0.799 11.293 -4.130 1.00 0.00 C ATOM 923 O TYR A 71 1.466 11.970 -4.912 1.00 0.00 O ATOM 924 CB TYR A 71 0.569 11.893 -1.714 1.00 0.00 C ATOM 925 CG TYR A 71 1.967 12.469 -1.689 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.366 13.412 -2.627 1.00 0.00 C ATOM 927 CD2 TYR A 71 2.886 12.070 -0.727 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.642 13.942 -2.608 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.165 12.595 -0.701 1.00 0.00 C ATOM 930 CZ TYR A 71 4.538 13.530 -1.644 1.00 0.00 C ATOM 931 OH TYR A 71 5.810 14.054 -1.621 1.00 0.00 O ATOM 0 H TYR A 71 -1.727 11.077 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.237 13.001 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.049 12.431 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.608 10.854 -1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.667 13.737 -3.384 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.597 11.338 0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.936 14.675 -3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 71 4.868 12.275 0.054 1.00 0.00 H new ATOM 0 HH TYR A 71 6.313 13.659 -0.879 1.00 0.00 H new ATOM 941 N TYR A 72 0.813 9.964 -4.133 1.00 0.00 N ATOM 942 CA TYR A 72 1.630 9.211 -5.076 1.00 0.00 C ATOM 943 C TYR A 72 0.916 9.049 -6.414 1.00 0.00 C ATOM 944 O TYR A 72 1.343 8.268 -7.265 1.00 0.00 O ATOM 945 CB TYR A 72 1.975 7.836 -4.501 1.00 0.00 C ATOM 946 CG TYR A 72 2.795 7.898 -3.232 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.526 9.034 -2.909 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.836 6.820 -2.356 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.276 9.095 -1.749 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.583 6.873 -1.194 1.00 0.00 C ATOM 951 CZ TYR A 72 4.301 8.012 -0.895 1.00 0.00 C ATOM 952 OH TYR A 72 5.046 8.068 0.260 1.00 0.00 O ATOM 0 H TYR A 72 0.268 9.387 -3.493 1.00 0.00 H new ATOM 0 HA TYR A 72 2.550 9.771 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.051 7.293 -4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.524 7.265 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.508 9.884 -3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.275 5.926 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.839 9.986 -1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.604 6.027 -0.524 1.00 0.00 H new ATOM 0 HH TYR A 72 4.448 8.059 1.036 1.00 0.00 H new ATOM 962 N THR A 73 -0.173 9.788 -6.594 1.00 0.00 N ATOM 963 CA THR A 73 -0.943 9.724 -7.830 1.00 0.00 C ATOM 964 C THR A 73 -0.105 10.172 -9.023 1.00 0.00 C ATOM 965 O THR A 73 -0.307 9.710 -10.146 1.00 0.00 O ATOM 966 CB THR A 73 -2.210 10.597 -7.751 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.146 10.019 -6.834 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.857 10.739 -9.120 1.00 0.00 C ATOM 0 H THR A 73 -0.542 10.438 -5.900 1.00 0.00 H new ATOM 0 HA THR A 73 -1.237 8.683 -7.965 1.00 0.00 H new ATOM 0 HB THR A 73 -1.920 11.587 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.716 9.285 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.749 11.360 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.153 11.205 -9.809 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.133 9.754 -9.496 1.00 0.00 H new ATOM 976 N SER A 74 0.837 11.076 -8.771 1.00 0.00 N ATOM 977 CA SER A 74 1.707 11.587 -9.823 1.00 0.00 C ATOM 978 C SER A 74 3.151 11.154 -9.593 1.00 0.00 C ATOM 979 O SER A 74 3.868 10.819 -10.536 1.00 0.00 O ATOM 980 CB SER A 74 1.624 13.113 -9.885 1.00 0.00 C ATOM 981 OG SER A 74 2.141 13.604 -11.110 1.00 0.00 O ATOM 0 H SER A 74 1.017 11.469 -7.847 1.00 0.00 H new ATOM 0 HA SER A 74 1.369 11.172 -10.773 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.587 13.428 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.181 13.544 -9.053 1.00 0.00 H new ATOM 0 HG SER A 74 2.075 14.582 -11.125 1.00 0.00 H new ATOM 987 N VAL A 75 3.571 11.165 -8.332 1.00 0.00 N ATOM 988 CA VAL A 75 4.929 10.775 -7.974 1.00 0.00 C ATOM 989 C VAL A 75 4.950 9.403 -7.309 1.00 0.00 C ATOM 990 O VAL A 75 4.193 9.145 -6.373 1.00 0.00 O ATOM 991 CB VAL A 75 5.574 11.800 -7.024 1.00 0.00 C ATOM 992 CG1 VAL A 75 4.638 12.120 -5.869 1.00 0.00 C ATOM 993 CG2 VAL A 75 6.912 11.286 -6.511 1.00 0.00 C ATOM 0 H VAL A 75 2.989 11.440 -7.541 1.00 0.00 H new ATOM 0 HA VAL A 75 5.501 10.736 -8.901 1.00 0.00 H new ATOM 0 HB VAL A 75 5.755 12.720 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.111 12.846 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.708 12.535 -6.258 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.423 11.208 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.353 12.024 -5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.760 10.351 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.583 11.114 -7.353 1.00 0.00 H new ATOM 1003 N THR A 76 5.820 8.524 -7.796 1.00 0.00 N ATOM 1004 CA THR A 76 5.937 7.183 -7.248 1.00 0.00 C ATOM 1005 C THR A 76 7.108 7.095 -6.272 1.00 0.00 C ATOM 1006 O THR A 76 8.158 7.699 -6.494 1.00 0.00 O ATOM 1007 CB THR A 76 6.121 6.141 -8.372 1.00 0.00 C ATOM 1008 OG1 THR A 76 4.844 5.764 -8.904 1.00 0.00 O ATOM 1009 CG2 THR A 76 6.845 4.904 -7.864 1.00 0.00 C ATOM 0 H THR A 76 6.454 8.720 -8.571 1.00 0.00 H new ATOM 0 HA THR A 76 5.013 6.965 -6.713 1.00 0.00 H new ATOM 0 HB THR A 76 6.726 6.596 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.968 5.093 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.959 4.189 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.829 5.187 -7.489 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.267 4.449 -7.060 1.00 0.00 H new ATOM 1017 N PRO A 77 6.948 6.330 -5.176 1.00 0.00 N ATOM 1018 CA PRO A 77 7.981 6.157 -4.177 1.00 0.00 C ATOM 1019 C PRO A 77 8.813 4.901 -4.419 1.00 0.00 C ATOM 1020 O PRO A 77 8.276 3.845 -4.753 1.00 0.00 O ATOM 1021 CB PRO A 77 7.172 6.024 -2.882 1.00 0.00 C ATOM 1022 CG PRO A 77 5.781 5.628 -3.300 1.00 0.00 C ATOM 1023 CD PRO A 77 5.754 5.569 -4.806 1.00 0.00 C ATOM 0 HA PRO A 77 8.701 6.975 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.610 5.274 -2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.161 6.964 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.515 4.660 -2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.051 6.349 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.797 4.543 -5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.847 6.015 -5.213 1.00 0.00 H new ATOM 1031 N VAL A 78 10.126 5.020 -4.252 1.00 0.00 N ATOM 1032 CA VAL A 78 11.023 3.888 -4.454 1.00 0.00 C ATOM 1033 C VAL A 78 11.862 3.618 -3.206 1.00 0.00 C ATOM 1034 O VAL A 78 11.736 4.313 -2.198 1.00 0.00 O ATOM 1035 CB VAL A 78 11.946 4.112 -5.679 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.271 5.016 -6.696 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.299 4.682 -5.269 1.00 0.00 C ATOM 0 H VAL A 78 10.591 5.885 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 78 10.401 3.014 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 78 12.125 3.140 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.933 5.162 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.342 4.555 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.052 5.980 -6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.917 4.825 -6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.154 5.640 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.795 3.989 -4.589 1.00 0.00 H new ATOM 1047 N LEU A 79 12.718 2.605 -3.284 1.00 0.00 N ATOM 1048 CA LEU A 79 13.577 2.242 -2.165 1.00 0.00 C ATOM 1049 C LEU A 79 14.988 1.914 -2.644 1.00 0.00 C ATOM 1050 O LEU A 79 15.220 0.869 -3.252 1.00 0.00 O ATOM 1051 CB LEU A 79 12.992 1.043 -1.417 1.00 0.00 C ATOM 1052 CG LEU A 79 11.573 1.242 -0.882 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.480 2.529 -0.076 1.00 0.00 C ATOM 1054 CD2 LEU A 79 10.570 1.253 -2.025 1.00 0.00 C ATOM 0 H LEU A 79 12.835 2.021 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 79 13.631 3.096 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.994 0.181 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.648 0.800 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 79 11.334 0.408 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.463 2.653 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.171 2.482 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.739 3.376 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.566 1.396 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.808 2.067 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.617 0.304 -2.559 1.00 0.00 H new ATOM 1066 N ARG A 80 15.926 2.813 -2.365 1.00 0.00 N ATOM 1067 CA ARG A 80 17.313 2.618 -2.766 1.00 0.00 C ATOM 1068 C ARG A 80 17.421 2.415 -4.274 1.00 0.00 C ATOM 1069 O ARG A 80 18.440 1.941 -4.775 1.00 0.00 O ATOM 1070 CB ARG A 80 17.914 1.416 -2.035 1.00 0.00 C ATOM 1071 CG ARG A 80 17.383 1.236 -0.623 1.00 0.00 C ATOM 1072 CD ARG A 80 17.644 -0.170 -0.105 1.00 0.00 C ATOM 1073 NE ARG A 80 16.695 -1.137 -0.649 1.00 0.00 N ATOM 1074 CZ ARG A 80 16.397 -2.288 -0.056 1.00 0.00 C ATOM 1075 NH1 ARG A 80 16.969 -2.611 1.096 1.00 0.00 N ATOM 1076 NH2 ARG A 80 15.525 -3.117 -0.613 1.00 0.00 N ATOM 0 H ARG A 80 15.750 3.683 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 80 17.871 3.515 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 80 17.709 0.512 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.997 1.530 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 80 17.854 1.962 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.312 1.438 -0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.658 -0.471 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.582 -0.173 0.983 1.00 0.00 H new ATOM 0 HE ARG A 80 16.236 -0.917 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.639 -1.975 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 80 16.739 -3.495 1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 80 15.082 -2.872 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 80 15.297 -4.000 -0.156 1.00 0.00 H new ATOM 1090 N GLY A 81 16.364 2.780 -4.992 1.00 0.00 N ATOM 1091 CA GLY A 81 16.362 2.631 -6.435 1.00 0.00 C ATOM 1092 C GLY A 81 15.323 1.639 -6.918 1.00 0.00 C ATOM 1093 O GLY A 81 15.299 1.280 -8.095 1.00 0.00 O ATOM 0 H GLY A 81 15.509 3.176 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.175 3.601 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.349 2.307 -6.764 1.00 0.00 H new ATOM 1097 N GLN A 82 14.461 1.191 -6.010 1.00 0.00 N ATOM 1098 CA GLN A 82 13.416 0.235 -6.357 1.00 0.00 C ATOM 1099 C GLN A 82 12.033 0.848 -6.171 1.00 0.00 C ATOM 1100 O GLN A 82 11.503 0.892 -5.061 1.00 0.00 O ATOM 1101 CB GLN A 82 13.548 -1.031 -5.509 1.00 0.00 C ATOM 1102 CG GLN A 82 12.766 -2.214 -6.055 1.00 0.00 C ATOM 1103 CD GLN A 82 13.663 -3.365 -6.466 1.00 0.00 C ATOM 1104 OE1 GLN A 82 13.478 -3.965 -7.525 1.00 0.00 O ATOM 1105 NE2 GLN A 82 14.643 -3.680 -5.626 1.00 0.00 N ATOM 0 H GLN A 82 14.466 1.474 -5.030 1.00 0.00 H new ATOM 0 HA GLN A 82 13.536 -0.029 -7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.601 -1.303 -5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.207 -0.817 -4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.061 -2.559 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.178 -1.891 -6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.760 -3.156 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.279 -4.446 -5.848 1.00 0.00 H new ATOM 1114 N PRO A 83 11.437 1.340 -7.268 1.00 0.00 N ATOM 1115 CA PRO A 83 10.113 1.966 -7.241 1.00 0.00 C ATOM 1116 C PRO A 83 8.981 0.952 -7.121 1.00 0.00 C ATOM 1117 O PRO A 83 8.976 -0.074 -7.799 1.00 0.00 O ATOM 1118 CB PRO A 83 10.042 2.683 -8.589 1.00 0.00 C ATOM 1119 CG PRO A 83 10.913 1.876 -9.488 1.00 0.00 C ATOM 1120 CD PRO A 83 12.017 1.330 -8.623 1.00 0.00 C ATOM 0 HA PRO A 83 9.992 2.621 -6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.019 2.726 -8.962 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.396 3.711 -8.511 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.349 1.069 -9.955 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.317 2.490 -10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.304 0.324 -8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.913 1.948 -8.680 1.00 0.00 H new ATOM 1128 N ILE A 84 8.017 1.256 -6.258 1.00 0.00 N ATOM 1129 CA ILE A 84 6.870 0.381 -6.050 1.00 0.00 C ATOM 1130 C ILE A 84 5.582 1.197 -5.974 1.00 0.00 C ATOM 1131 O ILE A 84 5.357 1.937 -5.016 1.00 0.00 O ATOM 1132 CB ILE A 84 7.027 -0.466 -4.771 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.047 0.422 -3.526 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.297 -1.301 -4.847 1.00 0.00 C ATOM 1135 CD1 ILE A 84 7.439 -0.318 -2.263 1.00 0.00 C ATOM 0 H ILE A 84 8.008 2.104 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 84 6.818 -0.297 -6.902 1.00 0.00 H new ATOM 0 HB ILE A 84 6.169 -1.134 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 84 7.744 1.244 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.060 0.863 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.397 -1.895 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.245 -1.965 -5.710 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.160 -0.643 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.432 0.373 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.728 -1.124 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.439 -0.736 -2.382 1.00 0.00 H new ATOM 1147 N TYR A 85 4.748 1.066 -7.000 1.00 0.00 N ATOM 1148 CA TYR A 85 3.488 1.800 -7.070 1.00 0.00 C ATOM 1149 C TYR A 85 2.573 1.457 -5.899 1.00 0.00 C ATOM 1150 O TYR A 85 2.521 0.313 -5.449 1.00 0.00 O ATOM 1151 CB TYR A 85 2.776 1.502 -8.389 1.00 0.00 C ATOM 1152 CG TYR A 85 3.183 2.423 -9.518 1.00 0.00 C ATOM 1153 CD1 TYR A 85 4.489 2.439 -9.991 1.00 0.00 C ATOM 1154 CD2 TYR A 85 2.259 3.277 -10.110 1.00 0.00 C ATOM 1155 CE1 TYR A 85 4.864 3.280 -11.022 1.00 0.00 C ATOM 1156 CE2 TYR A 85 2.627 4.119 -11.141 1.00 0.00 C ATOM 1157 CZ TYR A 85 3.930 4.117 -11.593 1.00 0.00 C ATOM 1158 OH TYR A 85 4.299 4.956 -12.620 1.00 0.00 O ATOM 0 H TYR A 85 4.922 0.456 -7.798 1.00 0.00 H new ATOM 0 HA TYR A 85 3.722 2.863 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.983 0.472 -8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.700 1.581 -8.237 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.223 1.784 -9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.238 3.282 -9.758 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.884 3.281 -11.378 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.898 4.776 -11.591 1.00 0.00 H new ATOM 0 HH TYR A 85 3.522 5.478 -12.911 1.00 0.00 H new ATOM 1168 N ILE A 86 1.847 2.462 -5.417 1.00 0.00 N ATOM 1169 CA ILE A 86 0.927 2.284 -4.308 1.00 0.00 C ATOM 1170 C ILE A 86 -0.470 2.773 -4.687 1.00 0.00 C ATOM 1171 O ILE A 86 -0.724 3.977 -4.737 1.00 0.00 O ATOM 1172 CB ILE A 86 1.421 3.043 -3.057 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.572 2.283 -2.395 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.285 3.254 -2.071 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.626 3.187 -1.794 1.00 0.00 C ATOM 0 H ILE A 86 1.882 3.413 -5.783 1.00 0.00 H new ATOM 0 HA ILE A 86 0.882 1.219 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 86 1.784 4.022 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.169 1.638 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.041 1.633 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.656 3.790 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.505 3.836 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.112 2.287 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.411 2.580 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.056 3.814 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.171 3.819 -1.031 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.371 1.833 -4.959 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.738 2.172 -5.338 1.00 0.00 C ATOM 1189 C GLN A 87 -3.735 1.688 -4.289 1.00 0.00 C ATOM 1190 O GLN A 87 -3.371 0.982 -3.349 1.00 0.00 O ATOM 1191 CB GLN A 87 -3.078 1.562 -6.698 1.00 0.00 C ATOM 1192 CG GLN A 87 -2.886 2.520 -7.862 1.00 0.00 C ATOM 1193 CD GLN A 87 -2.494 1.811 -9.143 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -3.246 0.988 -9.665 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -1.309 2.125 -9.656 1.00 0.00 N ATOM 0 H GLN A 87 -1.179 0.832 -4.924 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.808 3.258 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.456 0.681 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.114 1.222 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.809 3.075 -8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.117 3.249 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.718 2.813 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.991 1.678 -10.516 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.996 2.073 -4.460 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.051 1.680 -3.533 1.00 0.00 C ATOM 1206 C PHE A 88 -6.383 0.199 -3.685 1.00 0.00 C ATOM 1207 O PHE A 88 -5.792 -0.499 -4.507 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.306 2.521 -3.769 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.157 3.956 -3.348 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.865 4.280 -2.033 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.310 4.980 -4.269 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.729 5.599 -1.643 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.175 6.301 -3.885 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.884 6.611 -2.570 1.00 0.00 C ATOM 0 H PHE A 88 -5.312 2.658 -5.234 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.692 1.853 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.562 2.487 -4.828 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.139 2.076 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.742 3.493 -1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.537 4.743 -5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.502 5.838 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.297 7.090 -4.612 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.778 7.642 -2.268 1.00 0.00 H new ATOM 1224 N SER A 89 -7.335 -0.273 -2.886 1.00 0.00 N ATOM 1225 CA SER A 89 -7.747 -1.671 -2.931 1.00 0.00 C ATOM 1226 C SER A 89 -9.187 -1.798 -3.416 1.00 0.00 C ATOM 1227 O SER A 89 -10.029 -0.950 -3.122 1.00 0.00 O ATOM 1228 CB SER A 89 -7.603 -2.312 -1.550 1.00 0.00 C ATOM 1229 OG SER A 89 -6.251 -2.316 -1.126 1.00 0.00 O ATOM 0 H SER A 89 -7.835 0.292 -2.200 1.00 0.00 H new ATOM 0 HA SER A 89 -7.098 -2.192 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.212 -1.768 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.981 -3.334 -1.579 1.00 0.00 H new ATOM 0 HG SER A 89 -5.947 -1.394 -0.993 1.00 0.00 H new ATOM 1235 N ASN A 90 -9.462 -2.863 -4.163 1.00 0.00 N ATOM 1236 CA ASN A 90 -10.801 -3.101 -4.689 1.00 0.00 C ATOM 1237 C ASN A 90 -11.596 -4.019 -3.765 1.00 0.00 C ATOM 1238 O ASN A 90 -12.445 -4.786 -4.217 1.00 0.00 O ATOM 1239 CB ASN A 90 -10.720 -3.714 -6.089 1.00 0.00 C ATOM 1240 CG ASN A 90 -9.861 -2.893 -7.030 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -8.700 -2.604 -6.736 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -10.426 -2.513 -8.169 1.00 0.00 N ATOM 0 H ASN A 90 -8.776 -3.574 -4.417 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.316 -2.142 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.314 -4.723 -6.018 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.725 -3.803 -6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.896 -1.959 -8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.391 -2.775 -8.372 1.00 0.00 H new ATOM 1249 N HIS A 91 -11.313 -3.935 -2.469 1.00 0.00 N ATOM 1250 CA HIS A 91 -12.001 -4.758 -1.482 1.00 0.00 C ATOM 1251 C HIS A 91 -12.574 -3.898 -0.361 1.00 0.00 C ATOM 1252 O HIS A 91 -12.370 -2.685 -0.329 1.00 0.00 O ATOM 1253 CB HIS A 91 -11.047 -5.804 -0.904 1.00 0.00 C ATOM 1254 CG HIS A 91 -11.259 -7.178 -1.457 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -12.375 -7.940 -1.175 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -10.492 -7.930 -2.282 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -12.283 -9.100 -1.802 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -11.151 -9.118 -2.480 1.00 0.00 N ATOM 0 H HIS A 91 -10.612 -3.305 -2.078 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.825 -5.267 -1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.020 -5.496 -1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.167 -5.835 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.539 -7.648 -2.705 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -13.010 -9.897 -1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.819 -9.890 -3.058 1.00 0.00 H new ATOM 1267 N LYS A 92 -13.291 -4.534 0.559 1.00 0.00 N ATOM 1268 CA LYS A 92 -13.894 -3.827 1.683 1.00 0.00 C ATOM 1269 C LYS A 92 -13.131 -4.104 2.974 1.00 0.00 C ATOM 1270 O LYS A 92 -12.981 -3.222 3.819 1.00 0.00 O ATOM 1271 CB LYS A 92 -15.359 -4.239 1.845 1.00 0.00 C ATOM 1272 CG LYS A 92 -16.307 -3.061 2.009 1.00 0.00 C ATOM 1273 CD LYS A 92 -17.547 -3.221 1.145 1.00 0.00 C ATOM 1274 CE LYS A 92 -18.736 -2.481 1.736 1.00 0.00 C ATOM 1275 NZ LYS A 92 -19.156 -3.058 3.043 1.00 0.00 N ATOM 0 H LYS A 92 -13.469 -5.538 0.548 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.844 -2.758 1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.663 -4.821 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.450 -4.892 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.600 -2.971 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.792 -2.138 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.344 -2.844 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.788 -4.279 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.480 -1.430 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.571 -2.520 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.160 -2.845 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.018 -4.089 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.583 -2.643 3.806 1.00 0.00 H new ATOM 1289 N GLU A 93 -12.652 -5.334 3.121 1.00 0.00 N ATOM 1290 CA GLU A 93 -11.904 -5.727 4.311 1.00 0.00 C ATOM 1291 C GLU A 93 -10.737 -6.638 3.945 1.00 0.00 C ATOM 1292 O GLU A 93 -10.681 -7.179 2.841 1.00 0.00 O ATOM 1293 CB GLU A 93 -12.825 -6.433 5.306 1.00 0.00 C ATOM 1294 CG GLU A 93 -13.807 -5.499 5.996 1.00 0.00 C ATOM 1295 CD GLU A 93 -15.250 -5.917 5.793 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -15.653 -6.954 6.361 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -15.978 -5.207 5.069 1.00 0.00 O ATOM 0 H GLU A 93 -12.768 -6.077 2.431 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.504 -4.824 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.382 -7.211 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.217 -6.930 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.587 -5.471 7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.669 -4.487 5.615 1.00 0.00 H new ATOM 1304 N LEU A 94 -9.807 -6.802 4.881 1.00 0.00 N ATOM 1305 CA LEU A 94 -8.640 -7.648 4.658 1.00 0.00 C ATOM 1306 C LEU A 94 -8.955 -9.105 4.980 1.00 0.00 C ATOM 1307 O LEU A 94 -9.139 -9.469 6.141 1.00 0.00 O ATOM 1308 CB LEU A 94 -7.465 -7.167 5.512 1.00 0.00 C ATOM 1309 CG LEU A 94 -6.182 -6.865 4.736 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -5.184 -6.133 5.620 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -5.574 -8.149 4.193 1.00 0.00 C ATOM 0 H LEU A 94 -9.839 -6.361 5.800 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.367 -7.578 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.769 -6.267 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.247 -7.926 6.263 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.432 -6.220 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.277 -5.926 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.620 -5.194 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.938 -6.753 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.662 -7.916 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.338 -8.818 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.286 -8.635 3.525 1.00 0.00 H new ATOM 1323 N LYS A 95 -9.017 -9.935 3.944 1.00 0.00 N ATOM 1324 CA LYS A 95 -9.311 -11.353 4.116 1.00 0.00 C ATOM 1325 C LYS A 95 -8.050 -12.194 3.945 1.00 0.00 C ATOM 1326 O LYS A 95 -7.260 -11.969 3.030 1.00 0.00 O ATOM 1327 CB LYS A 95 -10.375 -11.800 3.113 1.00 0.00 C ATOM 1328 CG LYS A 95 -10.888 -13.209 3.358 1.00 0.00 C ATOM 1329 CD LYS A 95 -12.397 -13.229 3.544 1.00 0.00 C ATOM 1330 CE LYS A 95 -12.911 -14.640 3.775 1.00 0.00 C ATOM 1331 NZ LYS A 95 -13.693 -15.145 2.613 1.00 0.00 N ATOM 0 H LYS A 95 -8.868 -9.650 2.976 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.690 -11.500 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.214 -11.105 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.960 -11.743 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.616 -13.848 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.406 -13.624 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.669 -12.599 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.879 -12.805 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.069 -15.306 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.536 -14.657 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.025 -16.110 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.511 -14.524 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.090 -15.154 1.766 1.00 0.00 H new ATOM 1345 N THR A 96 -7.870 -13.166 4.834 1.00 0.00 N ATOM 1346 CA THR A 96 -6.706 -14.042 4.782 1.00 0.00 C ATOM 1347 C THR A 96 -6.903 -15.157 3.760 1.00 0.00 C ATOM 1348 O THR A 96 -7.923 -15.845 3.766 1.00 0.00 O ATOM 1349 CB THR A 96 -6.411 -14.670 6.158 1.00 0.00 C ATOM 1350 OG1 THR A 96 -7.476 -15.553 6.530 1.00 0.00 O ATOM 1351 CG2 THR A 96 -6.245 -13.593 7.219 1.00 0.00 C ATOM 0 H THR A 96 -8.515 -13.366 5.598 1.00 0.00 H new ATOM 0 HA THR A 96 -5.859 -13.424 4.485 1.00 0.00 H new ATOM 0 HB THR A 96 -5.480 -15.233 6.085 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.987 -15.803 5.732 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.038 -14.060 8.182 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.417 -12.939 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.162 -13.008 7.290 1.00 0.00 H new ATOM 1359 N ASP A 97 -5.919 -15.328 2.883 1.00 0.00 N ATOM 1360 CA ASP A 97 -5.985 -16.360 1.854 1.00 0.00 C ATOM 1361 C ASP A 97 -4.902 -17.413 2.068 1.00 0.00 C ATOM 1362 O ASP A 97 -5.137 -18.607 1.881 1.00 0.00 O ATOM 1363 CB ASP A 97 -5.837 -15.735 0.465 1.00 0.00 C ATOM 1364 CG ASP A 97 -6.067 -16.738 -0.648 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -5.416 -17.804 -0.630 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -6.898 -16.457 -1.537 1.00 0.00 O ATOM 0 H ASP A 97 -5.068 -14.766 2.864 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.958 -16.846 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.546 -14.913 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.839 -15.309 0.366 1.00 0.00 H new ATOM 1371 N SER A 98 -3.715 -16.962 2.461 1.00 0.00 N ATOM 1372 CA SER A 98 -2.596 -17.865 2.700 1.00 0.00 C ATOM 1373 C SER A 98 -1.364 -17.096 3.167 1.00 0.00 C ATOM 1374 O SER A 98 -1.335 -15.866 3.121 1.00 0.00 O ATOM 1375 CB SER A 98 -2.268 -18.652 1.429 1.00 0.00 C ATOM 1376 OG SER A 98 -1.194 -19.551 1.648 1.00 0.00 O ATOM 0 H SER A 98 -3.504 -15.977 2.621 1.00 0.00 H new ATOM 0 HA SER A 98 -2.887 -18.561 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.149 -19.205 1.103 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.010 -17.961 0.626 1.00 0.00 H new ATOM 0 HG SER A 98 -1.005 -20.043 0.822 1.00 0.00 H new ATOM 1382 N SER A 99 -0.350 -17.828 3.614 1.00 0.00 N ATOM 1383 CA SER A 99 0.884 -17.214 4.090 1.00 0.00 C ATOM 1384 C SER A 99 2.103 -17.942 3.532 1.00 0.00 C ATOM 1385 O SER A 99 2.171 -19.180 3.680 1.00 0.00 O ATOM 1386 CB SER A 99 0.927 -17.222 5.618 1.00 0.00 C ATOM 1387 OG SER A 99 1.351 -18.480 6.111 1.00 0.00 O ATOM 0 H SER A 99 -0.358 -18.847 3.657 1.00 0.00 H new ATOM 0 HA SER A 99 0.906 -16.182 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.604 -16.444 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.061 -16.988 6.014 1.00 0.00 H new ATOM 0 HG SER A 99 1.489 -19.096 5.361 1.00 0.00 H new TER 1393 SER A 99