USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1445 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: B 36 ASN : amide:sc= 0.939 K(o=0.96,f=0.32) USER MOD Set 1.2: B 67 GLN : amide:sc= 0.023 K(o=0.96,f=0.32) USER MOD Set 2.1: B 44 GLN : amide:sc= -0.059 X(o=-2.2,f=-2.6!) USER MOD Set 2.2: B 45 GLN : amide:sc= -2.16 X(o=-2.2,f=-2.2) USER MOD Set 3.1: A 55 SER OG : rot -29:sc= 1.45 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -164:sc= -0.0206 (180deg=-1.61) USER MOD Single : A 7 THR OG1 : rot 105:sc= 1.2 USER MOD Single : A 12 SER OG : rot 69:sc= 1.18 USER MOD Single : A 15 THR OG1 : rot 91:sc= 1.2 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 150:sc= 0.52 USER MOD Single : A 34 SER OG : rot 34:sc= 0.898 USER MOD Single : A 36 ASN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.21) USER MOD Single : A 43 THR OG1 : rot -25:sc= 0.241 USER MOD Single : A 44 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.12) USER MOD Single : A 45 GLN : amide:sc= -0.163 K(o=-0.16,f=-6.3!) USER MOD Single : A 48 HIS : no HE2:sc= -6.32! C(o=-6.3!,f=-15!) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.258 (180deg=-0.385) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.61 (180deg=-0.818!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.217 (180deg=-2.48!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.016) USER MOD Single : A 67 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.3) USER MOD Single : A 69 SER OG : rot 87:sc= 1.01 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= -0.191 (180deg=-0.923!) USER MOD Single : A 74 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.7!) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -144:sc= 1.23 (180deg=-0.141) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0583) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 0.416 (180deg=-0.0378) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= -0.56! (180deg=-0.729!) USER MOD Single : B 7 THR OG1 : rot -90:sc= 0.386 USER MOD Single : B 12 SER OG : rot 160:sc= 0.0197 USER MOD Single : B 15 THR OG1 : rot -18:sc= 1.3 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 81:sc= 1.23 USER MOD Single : B 22 THR OG1 : rot 161:sc= 1.03 USER MOD Single : B 30 LYS NZ :NH3+ 148:sc= 1.03 (180deg=-3.6!) USER MOD Single : B 32 SER OG : rot 112:sc= 0.5 USER MOD Single : B 34 SER OG : rot 49:sc= 1.19 USER MOD Single : B 39 LYS NZ :NH3+ -148:sc= 0.822 (180deg=0.497) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 HIS : no HE2:sc= 0.174 K(o=0.17,f=-4.1!) USER MOD Single : B 51 LYS NZ :NH3+ -173:sc= -0.203 (180deg=-0.313) USER MOD Single : B 55 SER OG : rot -110:sc= 0.105 USER MOD Single : B 59 LYS NZ :NH3+ -151:sc= 0.502 (180deg=-3.88!) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00527) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.016) USER MOD Single : B 69 SER OG : rot -83:sc= 0.973 USER MOD Single : B 72 LYS NZ :NH3+ -167:sc= 0.994 (180deg=0.0254) USER MOD Single : B 74 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.8!) USER MOD Single : B 76 TYR OH : rot 30:sc= -0.0188 USER MOD Single : B 85 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0.685) USER MOD Single : B 89 LYS NZ :NH3+ 142:sc= 0.351 (180deg=-3.15!) USER MOD Single : B 90 LYS NZ :NH3+ 145:sc= 1.72 (180deg=-0.361) USER MOD Single : B 91 LYS NZ :NH3+ -152:sc= 0.0939 (180deg=-3.43!) USER MOD Single : B 94 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.849 -13.796 8.325 1.00 1.49 N ATOM 41 CA GLU A 4 -15.018 -12.578 7.550 1.00 1.16 C ATOM 42 C GLU A 4 -14.894 -12.882 6.056 1.00 1.18 C ATOM 43 O GLU A 4 -14.115 -13.753 5.673 1.00 1.32 O ATOM 44 CB GLU A 4 -13.993 -11.513 7.979 1.00 1.20 C ATOM 45 CG GLU A 4 -12.520 -11.951 7.937 1.00 1.98 C ATOM 46 CD GLU A 4 -12.233 -13.142 8.836 1.00 3.86 C ATOM 47 OE1 GLU A 4 -12.306 -12.963 10.070 1.00 4.50 O ATOM 48 OE2 GLU A 4 -12.148 -14.264 8.298 1.00 5.23 O ATOM 0 HA GLU A 4 -16.015 -12.180 7.740 1.00 1.16 H new ATOM 0 HB2 GLU A 4 -14.112 -10.641 7.336 1.00 1.20 H new ATOM 0 HB3 GLU A 4 -14.230 -11.195 8.994 1.00 1.20 H new ATOM 0 HG2 GLU A 4 -12.250 -12.203 6.911 1.00 1.98 H new ATOM 0 HG3 GLU A 4 -11.889 -11.115 8.237 1.00 1.98 H new ATOM 55 N PRO A 5 -15.631 -12.180 5.179 1.00 1.20 N ATOM 56 CA PRO A 5 -15.524 -12.394 3.754 1.00 1.31 C ATOM 57 C PRO A 5 -14.373 -11.532 3.228 1.00 1.27 C ATOM 58 O PRO A 5 -14.596 -10.628 2.426 1.00 1.39 O ATOM 59 CB PRO A 5 -16.894 -11.978 3.213 1.00 1.53 C ATOM 60 CG PRO A 5 -17.315 -10.834 4.140 1.00 1.56 C ATOM 61 CD PRO A 5 -16.539 -11.073 5.440 1.00 1.29 C ATOM 0 HA PRO A 5 -15.298 -13.417 3.453 1.00 1.31 H new ATOM 0 HB2 PRO A 5 -16.833 -11.651 2.175 1.00 1.53 H new ATOM 0 HB3 PRO A 5 -17.605 -12.803 3.246 1.00 1.53 H new ATOM 0 HG2 PRO A 5 -17.070 -9.864 3.707 1.00 1.56 H new ATOM 0 HG3 PRO A 5 -18.391 -10.843 4.315 1.00 1.56 H new ATOM 0 HD2 PRO A 5 -15.988 -10.179 5.733 1.00 1.29 H new ATOM 0 HD3 PRO A 5 -17.217 -11.312 6.259 1.00 1.29 H new ATOM 69 N LEU A 6 -13.144 -11.799 3.683 1.00 1.21 N ATOM 70 CA LEU A 6 -11.991 -11.014 3.245 1.00 1.22 C ATOM 71 C LEU A 6 -11.491 -11.485 1.871 1.00 1.22 C ATOM 72 O LEU A 6 -11.999 -12.457 1.312 1.00 1.36 O ATOM 73 CB LEU A 6 -10.892 -10.998 4.326 1.00 1.34 C ATOM 74 CG LEU A 6 -10.260 -12.347 4.724 1.00 1.50 C ATOM 75 CD1 LEU A 6 -9.412 -12.985 3.614 1.00 2.27 C ATOM 76 CD2 LEU A 6 -9.339 -12.106 5.928 1.00 2.03 C ATOM 0 H LEU A 6 -12.926 -12.543 4.346 1.00 1.21 H new ATOM 0 HA LEU A 6 -12.302 -9.978 3.113 1.00 1.22 H new ATOM 0 HB2 LEU A 6 -10.093 -10.341 3.982 1.00 1.34 H new ATOM 0 HB3 LEU A 6 -11.312 -10.546 5.225 1.00 1.34 H new ATOM 0 HG LEU A 6 -11.082 -13.029 4.942 1.00 1.50 H new ATOM 0 HD11 LEU A 6 -9.001 -13.930 3.968 1.00 2.27 H new ATOM 0 HD12 LEU A 6 -10.035 -13.166 2.738 1.00 2.27 H new ATOM 0 HD13 LEU A 6 -8.597 -12.312 3.347 1.00 2.27 H new ATOM 0 HD21 LEU A 6 -8.879 -13.047 6.229 1.00 2.03 H new ATOM 0 HD22 LEU A 6 -8.561 -11.394 5.654 1.00 2.03 H new ATOM 0 HD23 LEU A 6 -9.922 -11.706 6.758 1.00 2.03 H new ATOM 88 N THR A 7 -10.508 -10.768 1.320 1.00 1.41 N ATOM 89 CA THR A 7 -9.972 -10.947 -0.023 1.00 1.46 C ATOM 90 C THR A 7 -8.484 -10.577 0.019 1.00 1.52 C ATOM 91 O THR A 7 -8.062 -9.924 0.975 1.00 1.58 O ATOM 92 CB THR A 7 -10.718 -10.014 -1.001 1.00 1.53 C ATOM 93 OG1 THR A 7 -12.064 -9.800 -0.622 1.00 1.59 O ATOM 94 CG2 THR A 7 -10.723 -10.570 -2.428 1.00 1.82 C ATOM 0 H THR A 7 -10.046 -10.013 1.826 1.00 1.41 H new ATOM 0 HA THR A 7 -10.099 -11.976 -0.358 1.00 1.46 H new ATOM 0 HB THR A 7 -10.173 -9.071 -0.966 1.00 1.53 H new ATOM 0 HG1 THR A 7 -12.157 -8.904 -0.236 1.00 1.59 H new ATOM 0 HG21 THR A 7 -11.258 -9.883 -3.084 1.00 1.82 H new ATOM 0 HG22 THR A 7 -9.697 -10.682 -2.779 1.00 1.82 H new ATOM 0 HG23 THR A 7 -11.218 -11.541 -2.438 1.00 1.82 H new ATOM 102 N GLU A 8 -7.720 -10.923 -1.027 1.00 1.55 N ATOM 103 CA GLU A 8 -6.314 -10.559 -1.201 1.00 1.50 C ATOM 104 C GLU A 8 -6.035 -9.111 -0.771 1.00 1.44 C ATOM 105 O GLU A 8 -5.066 -8.841 -0.064 1.00 1.44 O ATOM 106 CB GLU A 8 -5.914 -10.745 -2.674 1.00 1.52 C ATOM 107 CG GLU A 8 -5.888 -12.205 -3.150 1.00 1.86 C ATOM 108 CD GLU A 8 -5.836 -12.269 -4.675 1.00 2.65 C ATOM 109 OE1 GLU A 8 -6.915 -12.032 -5.257 1.00 2.69 O ATOM 110 OE2 GLU A 8 -4.745 -12.523 -5.241 1.00 3.94 O ATOM 0 H GLU A 8 -8.080 -11.483 -1.800 1.00 1.55 H new ATOM 0 HA GLU A 8 -5.721 -11.213 -0.562 1.00 1.50 H new ATOM 0 HB2 GLU A 8 -6.610 -10.185 -3.299 1.00 1.52 H new ATOM 0 HB3 GLU A 8 -4.927 -10.309 -2.827 1.00 1.52 H new ATOM 0 HG2 GLU A 8 -5.022 -12.716 -2.729 1.00 1.86 H new ATOM 0 HG3 GLU A 8 -6.773 -12.728 -2.788 1.00 1.86 H new ATOM 117 N LEU A 9 -6.869 -8.163 -1.209 1.00 1.43 N ATOM 118 CA LEU A 9 -6.647 -6.758 -0.908 1.00 1.44 C ATOM 119 C LEU A 9 -6.751 -6.511 0.600 1.00 1.45 C ATOM 120 O LEU A 9 -5.766 -6.075 1.195 1.00 1.56 O ATOM 121 CB LEU A 9 -7.578 -5.861 -1.732 1.00 1.44 C ATOM 122 CG LEU A 9 -7.290 -5.851 -3.249 1.00 1.52 C ATOM 123 CD1 LEU A 9 -5.843 -5.467 -3.575 1.00 2.44 C ATOM 124 CD2 LEU A 9 -7.630 -7.168 -3.963 1.00 2.43 C ATOM 0 H LEU A 9 -7.700 -8.349 -1.771 1.00 1.43 H new ATOM 0 HA LEU A 9 -5.633 -6.488 -1.202 1.00 1.44 H new ATOM 0 HB2 LEU A 9 -8.606 -6.185 -1.574 1.00 1.44 H new ATOM 0 HB3 LEU A 9 -7.504 -4.841 -1.355 1.00 1.44 H new ATOM 0 HG LEU A 9 -7.962 -5.083 -3.631 1.00 1.52 H new ATOM 0 HD11 LEU A 9 -5.699 -5.477 -4.655 1.00 2.44 H new ATOM 0 HD12 LEU A 9 -5.636 -4.468 -3.190 1.00 2.44 H new ATOM 0 HD13 LEU A 9 -5.164 -6.182 -3.112 1.00 2.44 H new ATOM 0 HD21 LEU A 9 -7.398 -7.077 -5.024 1.00 2.43 H new ATOM 0 HD22 LEU A 9 -7.042 -7.978 -3.531 1.00 2.43 H new ATOM 0 HD23 LEU A 9 -8.691 -7.385 -3.841 1.00 2.43 H new ATOM 136 N GLU A 10 -7.903 -6.814 1.222 1.00 1.38 N ATOM 137 CA GLU A 10 -8.036 -6.779 2.681 1.00 1.50 C ATOM 138 C GLU A 10 -6.814 -7.408 3.339 1.00 1.41 C ATOM 139 O GLU A 10 -6.197 -6.789 4.195 1.00 1.41 O ATOM 140 CB GLU A 10 -9.285 -7.528 3.171 1.00 1.83 C ATOM 141 CG GLU A 10 -10.538 -6.655 3.164 1.00 1.30 C ATOM 142 CD GLU A 10 -10.584 -5.622 4.288 1.00 1.70 C ATOM 143 OE1 GLU A 10 -9.769 -5.694 5.234 1.00 2.69 O ATOM 144 OE2 GLU A 10 -11.416 -4.688 4.218 1.00 2.52 O ATOM 0 H GLU A 10 -8.755 -7.086 0.732 1.00 1.38 H new ATOM 0 HA GLU A 10 -8.127 -5.729 2.959 1.00 1.50 H new ATOM 0 HB2 GLU A 10 -9.452 -8.400 2.539 1.00 1.83 H new ATOM 0 HB3 GLU A 10 -9.109 -7.896 4.182 1.00 1.83 H new ATOM 0 HG2 GLU A 10 -10.602 -6.138 2.207 1.00 1.30 H new ATOM 0 HG3 GLU A 10 -11.416 -7.297 3.239 1.00 1.30 H new ATOM 151 N GLU A 11 -6.454 -8.620 2.919 1.00 1.41 N ATOM 152 CA GLU A 11 -5.322 -9.342 3.470 1.00 1.41 C ATOM 153 C GLU A 11 -4.031 -8.516 3.355 1.00 1.29 C ATOM 154 O GLU A 11 -3.283 -8.382 4.321 1.00 1.26 O ATOM 155 CB GLU A 11 -5.230 -10.715 2.787 1.00 1.44 C ATOM 156 CG GLU A 11 -4.413 -11.721 3.606 1.00 1.69 C ATOM 157 CD GLU A 11 -4.496 -13.120 3.005 1.00 2.49 C ATOM 158 OE1 GLU A 11 -5.640 -13.589 2.825 1.00 3.15 O ATOM 159 OE2 GLU A 11 -3.419 -13.692 2.738 1.00 3.48 O ATOM 0 H GLU A 11 -6.946 -9.126 2.183 1.00 1.41 H new ATOM 0 HA GLU A 11 -5.464 -9.510 4.538 1.00 1.41 H new ATOM 0 HB2 GLU A 11 -6.235 -11.108 2.631 1.00 1.44 H new ATOM 0 HB3 GLU A 11 -4.777 -10.599 1.803 1.00 1.44 H new ATOM 0 HG2 GLU A 11 -3.372 -11.401 3.646 1.00 1.69 H new ATOM 0 HG3 GLU A 11 -4.780 -11.741 4.632 1.00 1.69 H new ATOM 166 N SER A 12 -3.766 -7.905 2.196 1.00 1.26 N ATOM 167 CA SER A 12 -2.522 -7.167 1.993 1.00 1.18 C ATOM 168 C SER A 12 -2.500 -5.943 2.911 1.00 1.05 C ATOM 169 O SER A 12 -1.490 -5.579 3.512 1.00 1.01 O ATOM 170 CB SER A 12 -2.410 -6.744 0.526 1.00 1.21 C ATOM 171 OG SER A 12 -2.476 -7.874 -0.322 1.00 1.94 O ATOM 0 H SER A 12 -4.393 -7.908 1.391 1.00 1.26 H new ATOM 0 HA SER A 12 -1.671 -7.803 2.237 1.00 1.18 H new ATOM 0 HB2 SER A 12 -3.213 -6.050 0.279 1.00 1.21 H new ATOM 0 HB3 SER A 12 -1.471 -6.215 0.365 1.00 1.21 H new ATOM 0 HG SER A 12 -3.382 -8.247 -0.299 1.00 1.94 H new ATOM 177 N ILE A 13 -3.650 -5.290 2.999 1.00 1.00 N ATOM 178 CA ILE A 13 -3.819 -4.043 3.712 1.00 0.83 C ATOM 179 C ILE A 13 -3.710 -4.301 5.211 1.00 0.74 C ATOM 180 O ILE A 13 -2.969 -3.607 5.909 1.00 0.66 O ATOM 181 CB ILE A 13 -5.167 -3.466 3.269 1.00 0.88 C ATOM 182 CG1 ILE A 13 -5.010 -3.098 1.780 1.00 1.13 C ATOM 183 CG2 ILE A 13 -5.644 -2.234 4.051 1.00 0.76 C ATOM 184 CD1 ILE A 13 -6.352 -2.893 1.108 1.00 1.04 C ATOM 0 H ILE A 13 -4.509 -5.625 2.564 1.00 1.00 H new ATOM 0 HA ILE A 13 -3.044 -3.310 3.487 1.00 0.83 H new ATOM 0 HB ILE A 13 -5.930 -4.221 3.459 1.00 0.88 H new ATOM 0 HG12 ILE A 13 -4.416 -2.189 1.691 1.00 1.13 H new ATOM 0 HG13 ILE A 13 -4.463 -3.888 1.266 1.00 1.13 H new ATOM 0 HG21 ILE A 13 -6.606 -1.905 3.659 1.00 0.76 H new ATOM 0 HG22 ILE A 13 -5.750 -2.491 5.105 1.00 0.76 H new ATOM 0 HG23 ILE A 13 -4.915 -1.431 3.945 1.00 0.76 H new ATOM 0 HD11 ILE A 13 -6.199 -2.635 0.060 1.00 1.04 H new ATOM 0 HD12 ILE A 13 -6.936 -3.811 1.174 1.00 1.04 H new ATOM 0 HD13 ILE A 13 -6.888 -2.085 1.606 1.00 1.04 H new ATOM 196 N GLU A 14 -4.428 -5.315 5.697 1.00 0.82 N ATOM 197 CA GLU A 14 -4.379 -5.740 7.079 1.00 0.84 C ATOM 198 C GLU A 14 -2.937 -6.150 7.427 1.00 0.86 C ATOM 199 O GLU A 14 -2.422 -5.742 8.467 1.00 0.85 O ATOM 200 CB GLU A 14 -5.511 -6.724 7.414 1.00 0.95 C ATOM 201 CG GLU A 14 -5.170 -8.203 7.268 1.00 1.83 C ATOM 202 CD GLU A 14 -4.510 -8.733 8.538 1.00 2.91 C ATOM 203 OE1 GLU A 14 -5.242 -8.832 9.547 1.00 3.65 O ATOM 204 OE2 GLU A 14 -3.286 -8.972 8.495 1.00 3.78 O ATOM 0 H GLU A 14 -5.067 -5.867 5.125 1.00 0.82 H new ATOM 0 HA GLU A 14 -4.602 -4.921 7.762 1.00 0.84 H new ATOM 0 HB2 GLU A 14 -5.831 -6.544 8.440 1.00 0.95 H new ATOM 0 HB3 GLU A 14 -6.362 -6.502 6.771 1.00 0.95 H new ATOM 0 HG2 GLU A 14 -6.076 -8.771 7.059 1.00 1.83 H new ATOM 0 HG3 GLU A 14 -4.502 -8.345 6.419 1.00 1.83 H new ATOM 211 N THR A 15 -2.246 -6.828 6.496 1.00 0.89 N ATOM 212 CA THR A 15 -0.829 -7.163 6.638 1.00 0.91 C ATOM 213 C THR A 15 -0.019 -5.895 6.890 1.00 0.81 C ATOM 214 O THR A 15 0.714 -5.828 7.873 1.00 0.85 O ATOM 215 CB THR A 15 -0.259 -7.964 5.452 1.00 1.02 C ATOM 216 OG1 THR A 15 -0.928 -9.200 5.341 1.00 1.20 O ATOM 217 CG2 THR A 15 1.224 -8.297 5.659 1.00 1.11 C ATOM 0 H THR A 15 -2.660 -7.158 5.624 1.00 0.89 H new ATOM 0 HA THR A 15 -0.746 -7.826 7.499 1.00 0.91 H new ATOM 0 HB THR A 15 -0.390 -7.347 4.563 1.00 1.02 H new ATOM 0 HG1 THR A 15 -1.695 -9.104 4.739 1.00 1.20 H new ATOM 0 HG21 THR A 15 1.593 -8.862 4.803 1.00 1.11 H new ATOM 0 HG22 THR A 15 1.794 -7.373 5.757 1.00 1.11 H new ATOM 0 HG23 THR A 15 1.340 -8.892 6.565 1.00 1.11 H new ATOM 225 N VAL A 16 -0.130 -4.875 6.034 1.00 0.74 N ATOM 226 CA VAL A 16 0.593 -3.631 6.249 1.00 0.66 C ATOM 227 C VAL A 16 0.292 -3.084 7.648 1.00 0.64 C ATOM 228 O VAL A 16 1.191 -2.907 8.474 1.00 0.67 O ATOM 229 CB VAL A 16 0.220 -2.622 5.151 1.00 0.61 C ATOM 230 CG1 VAL A 16 0.716 -1.225 5.519 1.00 0.55 C ATOM 231 CG2 VAL A 16 0.851 -3.010 3.814 1.00 0.68 C ATOM 0 H VAL A 16 -0.710 -4.891 5.195 1.00 0.74 H new ATOM 0 HA VAL A 16 1.666 -3.813 6.190 1.00 0.66 H new ATOM 0 HB VAL A 16 -0.866 -2.627 5.062 1.00 0.61 H new ATOM 0 HG11 VAL A 16 0.444 -0.523 4.731 1.00 0.55 H new ATOM 0 HG12 VAL A 16 0.259 -0.912 6.458 1.00 0.55 H new ATOM 0 HG13 VAL A 16 1.800 -1.242 5.631 1.00 0.55 H new ATOM 0 HG21 VAL A 16 0.572 -2.280 3.054 1.00 0.68 H new ATOM 0 HG22 VAL A 16 1.936 -3.030 3.916 1.00 0.68 H new ATOM 0 HG23 VAL A 16 0.496 -3.997 3.517 1.00 0.68 H new ATOM 241 N VAL A 17 -0.982 -2.798 7.918 1.00 0.61 N ATOM 242 CA VAL A 17 -1.364 -2.090 9.133 1.00 0.62 C ATOM 243 C VAL A 17 -1.022 -2.898 10.397 1.00 0.69 C ATOM 244 O VAL A 17 -0.716 -2.297 11.426 1.00 0.79 O ATOM 245 CB VAL A 17 -2.817 -1.594 9.058 1.00 0.63 C ATOM 246 CG1 VAL A 17 -3.051 -0.703 7.830 1.00 0.68 C ATOM 247 CG2 VAL A 17 -3.785 -2.768 9.055 1.00 0.61 C ATOM 0 H VAL A 17 -1.763 -3.047 7.311 1.00 0.61 H new ATOM 0 HA VAL A 17 -0.759 -1.187 9.213 1.00 0.62 H new ATOM 0 HB VAL A 17 -3.002 -0.989 9.945 1.00 0.63 H new ATOM 0 HG11 VAL A 17 -4.090 -0.373 7.813 1.00 0.68 H new ATOM 0 HG12 VAL A 17 -2.395 0.166 7.880 1.00 0.68 H new ATOM 0 HG13 VAL A 17 -2.835 -1.269 6.924 1.00 0.68 H new ATOM 0 HG21 VAL A 17 -4.808 -2.396 9.002 1.00 0.61 H new ATOM 0 HG22 VAL A 17 -3.584 -3.403 8.192 1.00 0.61 H new ATOM 0 HG23 VAL A 17 -3.657 -3.347 9.969 1.00 0.61 H new ATOM 257 N THR A 18 -1.033 -4.235 10.339 1.00 0.78 N ATOM 258 CA THR A 18 -0.583 -5.066 11.452 1.00 0.98 C ATOM 259 C THR A 18 0.945 -5.172 11.488 1.00 0.88 C ATOM 260 O THR A 18 1.517 -5.291 12.569 1.00 0.91 O ATOM 261 CB THR A 18 -1.276 -6.440 11.472 1.00 1.14 C ATOM 262 OG1 THR A 18 -1.266 -6.941 12.795 1.00 1.76 O ATOM 263 CG2 THR A 18 -0.611 -7.466 10.554 1.00 0.97 C ATOM 0 H THR A 18 -1.351 -4.763 9.526 1.00 0.78 H new ATOM 0 HA THR A 18 -0.886 -4.568 12.373 1.00 0.98 H new ATOM 0 HB THR A 18 -2.292 -6.289 11.106 1.00 1.14 H new ATOM 0 HG1 THR A 18 -1.707 -7.816 12.817 1.00 1.76 H new ATOM 0 HG21 THR A 18 -1.149 -8.412 10.616 1.00 0.97 H new ATOM 0 HG22 THR A 18 -0.632 -7.103 9.527 1.00 0.97 H new ATOM 0 HG23 THR A 18 0.423 -7.616 10.864 1.00 0.97 H new ATOM 271 N THR A 19 1.637 -5.103 10.349 1.00 0.84 N ATOM 272 CA THR A 19 3.097 -5.093 10.337 1.00 0.88 C ATOM 273 C THR A 19 3.606 -3.856 11.085 1.00 0.83 C ATOM 274 O THR A 19 4.558 -3.948 11.855 1.00 1.04 O ATOM 275 CB THR A 19 3.619 -5.224 8.901 1.00 0.89 C ATOM 276 OG1 THR A 19 3.272 -6.499 8.408 1.00 1.34 O ATOM 277 CG2 THR A 19 5.142 -5.100 8.813 1.00 1.05 C ATOM 0 H THR A 19 1.208 -5.053 9.425 1.00 0.84 H new ATOM 0 HA THR A 19 3.493 -5.958 10.869 1.00 0.88 H new ATOM 0 HB THR A 19 3.172 -4.416 8.321 1.00 0.89 H new ATOM 0 HG1 THR A 19 2.303 -6.544 8.272 1.00 1.34 H new ATOM 0 HG21 THR A 19 5.456 -5.200 7.774 1.00 1.05 H new ATOM 0 HG22 THR A 19 5.450 -4.126 9.193 1.00 1.05 H new ATOM 0 HG23 THR A 19 5.606 -5.885 9.410 1.00 1.05 H new ATOM 285 N PHE A 20 2.918 -2.716 10.946 1.00 0.72 N ATOM 286 CA PHE A 20 3.171 -1.566 11.815 1.00 0.80 C ATOM 287 C PHE A 20 3.070 -1.909 13.310 1.00 1.00 C ATOM 288 O PHE A 20 3.713 -1.248 14.119 1.00 1.29 O ATOM 289 CB PHE A 20 2.227 -0.403 11.485 1.00 0.84 C ATOM 290 CG PHE A 20 2.632 0.427 10.284 1.00 0.84 C ATOM 291 CD1 PHE A 20 3.617 1.418 10.434 1.00 2.47 C ATOM 292 CD2 PHE A 20 1.972 0.284 9.050 1.00 1.80 C ATOM 293 CE1 PHE A 20 3.885 2.304 9.378 1.00 2.70 C ATOM 294 CE2 PHE A 20 2.210 1.198 8.010 1.00 1.63 C ATOM 295 CZ PHE A 20 3.124 2.244 8.200 1.00 1.12 C ATOM 0 H PHE A 20 2.190 -2.568 10.247 1.00 0.72 H new ATOM 0 HA PHE A 20 4.200 -1.264 11.618 1.00 0.80 H new ATOM 0 HB2 PHE A 20 1.228 -0.803 11.311 1.00 0.84 H new ATOM 0 HB3 PHE A 20 2.162 0.251 12.355 1.00 0.84 H new ATOM 0 HD1 PHE A 20 4.167 1.498 11.360 1.00 2.47 H new ATOM 0 HD2 PHE A 20 1.280 -0.532 8.902 1.00 1.80 H new ATOM 0 HE1 PHE A 20 4.677 3.032 9.472 1.00 2.70 H new ATOM 0 HE2 PHE A 20 1.691 1.095 7.068 1.00 1.63 H new ATOM 0 HZ PHE A 20 3.242 3.003 7.441 1.00 1.12 H new ATOM 305 N PHE A 21 2.252 -2.897 13.696 1.00 0.96 N ATOM 306 CA PHE A 21 2.157 -3.362 15.075 1.00 1.15 C ATOM 307 C PHE A 21 3.332 -4.291 15.385 1.00 1.28 C ATOM 308 O PHE A 21 4.098 -4.030 16.310 1.00 1.57 O ATOM 309 CB PHE A 21 0.791 -4.032 15.325 1.00 1.13 C ATOM 310 CG PHE A 21 0.407 -4.387 16.755 1.00 1.33 C ATOM 311 CD1 PHE A 21 1.209 -4.043 17.863 1.00 2.36 C ATOM 312 CD2 PHE A 21 -0.762 -5.145 16.960 1.00 2.35 C ATOM 313 CE1 PHE A 21 0.849 -4.466 19.154 1.00 2.73 C ATOM 314 CE2 PHE A 21 -1.115 -5.576 18.251 1.00 2.87 C ATOM 315 CZ PHE A 21 -0.307 -5.239 19.348 1.00 2.52 C ATOM 0 H PHE A 21 1.637 -3.395 13.053 1.00 0.96 H new ATOM 0 HA PHE A 21 2.219 -2.514 15.756 1.00 1.15 H new ATOM 0 HB2 PHE A 21 0.020 -3.371 14.929 1.00 1.13 H new ATOM 0 HB3 PHE A 21 0.758 -4.948 14.736 1.00 1.13 H new ATOM 0 HD1 PHE A 21 2.102 -3.453 17.719 1.00 2.36 H new ATOM 0 HD2 PHE A 21 -1.392 -5.397 16.120 1.00 2.35 H new ATOM 0 HE1 PHE A 21 1.464 -4.196 20.000 1.00 2.73 H new ATOM 0 HE2 PHE A 21 -2.007 -6.166 18.398 1.00 2.87 H new ATOM 0 HZ PHE A 21 -0.574 -5.574 20.340 1.00 2.52 H new ATOM 325 N THR A 22 3.518 -5.360 14.608 1.00 1.21 N ATOM 326 CA THR A 22 4.623 -6.285 14.841 1.00 1.55 C ATOM 327 C THR A 22 5.893 -5.737 14.171 1.00 1.94 C ATOM 328 O THR A 22 6.496 -6.373 13.311 1.00 2.28 O ATOM 329 CB THR A 22 4.206 -7.725 14.468 1.00 1.79 C ATOM 330 OG1 THR A 22 5.190 -8.662 14.858 1.00 3.00 O ATOM 331 CG2 THR A 22 3.852 -7.955 12.995 1.00 2.22 C ATOM 0 H THR A 22 2.921 -5.603 13.818 1.00 1.21 H new ATOM 0 HA THR A 22 4.876 -6.358 15.899 1.00 1.55 H new ATOM 0 HB THR A 22 3.282 -7.875 15.026 1.00 1.79 H new ATOM 0 HG1 THR A 22 4.899 -9.564 14.611 1.00 3.00 H new ATOM 0 HG21 THR A 22 3.575 -8.999 12.846 1.00 2.22 H new ATOM 0 HG22 THR A 22 3.015 -7.314 12.717 1.00 2.22 H new ATOM 0 HG23 THR A 22 4.714 -7.716 12.372 1.00 2.22 H new ATOM 478 N ASP A 31 2.108 5.458 15.570 1.00 1.53 N ATOM 479 CA ASP A 31 1.307 5.538 14.360 1.00 1.56 C ATOM 480 C ASP A 31 2.156 4.911 13.262 1.00 1.50 C ATOM 481 O ASP A 31 1.802 3.866 12.725 1.00 1.85 O ATOM 482 CB ASP A 31 0.908 6.981 14.014 1.00 1.81 C ATOM 483 CG ASP A 31 -0.204 7.026 12.980 1.00 1.91 C ATOM 484 OD1 ASP A 31 0.080 7.144 11.765 1.00 2.81 O ATOM 485 OD2 ASP A 31 -1.387 7.121 13.382 1.00 2.60 O ATOM 0 HA ASP A 31 0.361 5.012 14.487 1.00 1.56 H new ATOM 0 HB2 ASP A 31 0.584 7.495 14.919 1.00 1.81 H new ATOM 0 HB3 ASP A 31 1.778 7.518 13.636 1.00 1.81 H new ATOM 490 N SER A 32 3.321 5.504 12.995 1.00 1.35 N ATOM 491 CA SER A 32 4.233 5.069 11.953 1.00 1.32 C ATOM 492 C SER A 32 5.682 5.240 12.425 1.00 1.07 C ATOM 493 O SER A 32 5.983 5.060 13.607 1.00 1.00 O ATOM 494 CB SER A 32 3.912 5.896 10.705 1.00 1.61 C ATOM 495 OG SER A 32 4.603 5.453 9.552 1.00 1.87 O ATOM 0 H SER A 32 3.657 6.316 13.512 1.00 1.35 H new ATOM 0 HA SER A 32 4.114 4.011 11.719 1.00 1.32 H new ATOM 0 HB2 SER A 32 2.839 5.856 10.516 1.00 1.61 H new ATOM 0 HB3 SER A 32 4.164 6.940 10.893 1.00 1.61 H new ATOM 0 HG SER A 32 4.064 5.640 8.755 1.00 1.87 H new ATOM 501 N LEU A 33 6.574 5.533 11.474 1.00 1.21 N ATOM 502 CA LEU A 33 7.997 5.759 11.676 1.00 1.21 C ATOM 503 C LEU A 33 8.326 7.225 11.453 1.00 1.16 C ATOM 504 O LEU A 33 7.520 7.986 10.917 1.00 1.27 O ATOM 505 CB LEU A 33 8.829 4.938 10.671 1.00 1.57 C ATOM 506 CG LEU A 33 8.933 3.428 10.919 1.00 1.45 C ATOM 507 CD1 LEU A 33 9.508 3.094 12.301 1.00 1.71 C ATOM 508 CD2 LEU A 33 7.588 2.741 10.725 1.00 1.33 C ATOM 0 H LEU A 33 6.303 5.622 10.495 1.00 1.21 H new ATOM 0 HA LEU A 33 8.238 5.458 12.695 1.00 1.21 H new ATOM 0 HB2 LEU A 33 8.406 5.089 9.678 1.00 1.57 H new ATOM 0 HB3 LEU A 33 9.839 5.348 10.653 1.00 1.57 H new ATOM 0 HG LEU A 33 9.632 3.045 10.176 1.00 1.45 H new ATOM 0 HD11 LEU A 33 9.559 2.012 12.422 1.00 1.71 H new ATOM 0 HD12 LEU A 33 10.509 3.517 12.391 1.00 1.71 H new ATOM 0 HD13 LEU A 33 8.866 3.516 13.074 1.00 1.71 H new ATOM 0 HD21 LEU A 33 7.696 1.672 10.908 1.00 1.33 H new ATOM 0 HD22 LEU A 33 6.863 3.158 11.424 1.00 1.33 H new ATOM 0 HD23 LEU A 33 7.242 2.901 9.704 1.00 1.33 H new ATOM 520 N SER A 34 9.559 7.586 11.796 1.00 1.05 N ATOM 521 CA SER A 34 10.177 8.799 11.295 1.00 0.98 C ATOM 522 C SER A 34 10.568 8.613 9.828 1.00 0.86 C ATOM 523 O SER A 34 10.637 7.490 9.328 1.00 0.83 O ATOM 524 CB SER A 34 11.337 9.231 12.191 1.00 1.01 C ATOM 525 OG SER A 34 11.778 10.524 11.827 1.00 2.95 O ATOM 0 H SER A 34 10.152 7.046 12.426 1.00 1.05 H new ATOM 0 HA SER A 34 9.461 9.620 11.328 1.00 0.98 H new ATOM 0 HB2 SER A 34 11.022 9.226 13.234 1.00 1.01 H new ATOM 0 HB3 SER A 34 12.159 8.520 12.103 1.00 1.01 H new ATOM 0 HG SER A 34 11.014 11.056 11.520 1.00 2.95 H new ATOM 531 N VAL A 35 10.783 9.703 9.093 1.00 0.85 N ATOM 532 CA VAL A 35 10.986 9.595 7.654 1.00 0.80 C ATOM 533 C VAL A 35 12.362 8.996 7.351 1.00 0.69 C ATOM 534 O VAL A 35 12.494 8.163 6.451 1.00 0.78 O ATOM 535 CB VAL A 35 10.807 10.945 6.955 1.00 0.99 C ATOM 536 CG1 VAL A 35 10.549 10.741 5.456 1.00 0.99 C ATOM 537 CG2 VAL A 35 9.639 11.785 7.496 1.00 1.16 C ATOM 0 H VAL A 35 10.820 10.653 9.463 1.00 0.85 H new ATOM 0 HA VAL A 35 10.223 8.924 7.259 1.00 0.80 H new ATOM 0 HB VAL A 35 11.736 11.481 7.148 1.00 0.99 H new ATOM 0 HG11 VAL A 35 10.424 11.710 4.973 1.00 0.99 H new ATOM 0 HG12 VAL A 35 11.395 10.219 5.009 1.00 0.99 H new ATOM 0 HG13 VAL A 35 9.644 10.148 5.320 1.00 0.99 H new ATOM 0 HG21 VAL A 35 9.582 12.725 6.947 1.00 1.16 H new ATOM 0 HG22 VAL A 35 8.707 11.235 7.371 1.00 1.16 H new ATOM 0 HG23 VAL A 35 9.799 11.992 8.554 1.00 1.16 H new ATOM 547 N ASN A 36 13.394 9.418 8.094 1.00 0.67 N ATOM 548 CA ASN A 36 14.732 8.859 7.907 1.00 0.79 C ATOM 549 C ASN A 36 14.644 7.349 8.151 1.00 0.68 C ATOM 550 O ASN A 36 14.908 6.553 7.244 1.00 0.67 O ATOM 551 CB ASN A 36 15.771 9.516 8.838 1.00 1.10 C ATOM 552 CG ASN A 36 17.086 9.793 8.109 1.00 1.95 C ATOM 553 OD1 ASN A 36 18.139 9.278 8.461 1.00 2.98 O ATOM 554 ND2 ASN A 36 17.052 10.651 7.091 1.00 2.21 N ATOM 0 H ASN A 36 13.327 10.133 8.818 1.00 0.67 H new ATOM 0 HA ASN A 36 15.073 9.061 6.891 1.00 0.79 H new ATOM 0 HB2 ASN A 36 15.369 10.450 9.231 1.00 1.10 H new ATOM 0 HB3 ASN A 36 15.958 8.865 9.692 1.00 1.10 H new ATOM 0 HD21 ASN A 36 17.911 10.887 6.594 1.00 2.21 H new ATOM 0 HD22 ASN A 36 16.167 11.073 6.809 1.00 2.21 H new ATOM 561 N GLU A 37 14.136 6.997 9.343 1.00 0.73 N ATOM 562 CA GLU A 37 13.839 5.633 9.757 1.00 0.84 C ATOM 563 C GLU A 37 13.129 4.886 8.639 1.00 0.75 C ATOM 564 O GLU A 37 13.519 3.777 8.310 1.00 0.82 O ATOM 565 CB GLU A 37 12.939 5.613 10.998 1.00 1.10 C ATOM 566 CG GLU A 37 13.595 6.105 12.291 1.00 2.05 C ATOM 567 CD GLU A 37 12.602 6.050 13.450 1.00 2.96 C ATOM 568 OE1 GLU A 37 11.388 6.176 13.165 1.00 3.83 O ATOM 569 OE2 GLU A 37 13.065 5.884 14.597 1.00 3.82 O ATOM 0 H GLU A 37 13.916 7.685 10.064 1.00 0.73 H new ATOM 0 HA GLU A 37 14.788 5.150 9.992 1.00 0.84 H new ATOM 0 HB2 GLU A 37 12.061 6.227 10.799 1.00 1.10 H new ATOM 0 HB3 GLU A 37 12.586 4.594 11.154 1.00 1.10 H new ATOM 0 HG2 GLU A 37 14.465 5.490 12.521 1.00 2.05 H new ATOM 0 HG3 GLU A 37 13.952 7.126 12.159 1.00 2.05 H new ATOM 576 N PHE A 38 12.077 5.468 8.057 1.00 0.81 N ATOM 577 CA PHE A 38 11.367 4.845 6.953 1.00 0.84 C ATOM 578 C PHE A 38 12.329 4.457 5.822 1.00 0.67 C ATOM 579 O PHE A 38 12.367 3.283 5.451 1.00 0.64 O ATOM 580 CB PHE A 38 10.223 5.737 6.460 1.00 1.05 C ATOM 581 CG PHE A 38 9.638 5.292 5.137 1.00 1.05 C ATOM 582 CD1 PHE A 38 8.698 4.248 5.101 1.00 1.40 C ATOM 583 CD2 PHE A 38 10.188 5.780 3.937 1.00 2.19 C ATOM 584 CE1 PHE A 38 8.283 3.719 3.867 1.00 1.48 C ATOM 585 CE2 PHE A 38 9.823 5.203 2.710 1.00 2.27 C ATOM 586 CZ PHE A 38 8.852 4.187 2.673 1.00 1.29 C ATOM 0 H PHE A 38 11.702 6.374 8.339 1.00 0.81 H new ATOM 0 HA PHE A 38 10.918 3.921 7.317 1.00 0.84 H new ATOM 0 HB2 PHE A 38 9.433 5.750 7.211 1.00 1.05 H new ATOM 0 HB3 PHE A 38 10.587 6.760 6.362 1.00 1.05 H new ATOM 0 HD1 PHE A 38 8.295 3.852 6.021 1.00 1.40 H new ATOM 0 HD2 PHE A 38 10.892 6.599 3.960 1.00 2.19 H new ATOM 0 HE1 PHE A 38 7.525 2.951 3.838 1.00 1.48 H new ATOM 0 HE2 PHE A 38 10.288 5.540 1.795 1.00 2.27 H new ATOM 0 HZ PHE A 38 8.544 3.767 1.727 1.00 1.29 H new ATOM 596 N LYS A 39 13.089 5.408 5.253 1.00 0.66 N ATOM 597 CA LYS A 39 13.922 5.073 4.095 1.00 0.65 C ATOM 598 C LYS A 39 14.938 3.989 4.479 1.00 0.68 C ATOM 599 O LYS A 39 15.134 3.031 3.727 1.00 0.80 O ATOM 600 CB LYS A 39 14.603 6.293 3.442 1.00 0.83 C ATOM 601 CG LYS A 39 15.215 5.971 2.053 1.00 1.04 C ATOM 602 CD LYS A 39 14.184 5.527 0.993 1.00 3.21 C ATOM 603 CE LYS A 39 14.713 5.461 -0.460 1.00 4.28 C ATOM 604 NZ LYS A 39 15.483 4.233 -0.779 1.00 5.61 N ATOM 0 H LYS A 39 13.142 6.378 5.564 1.00 0.66 H new ATOM 0 HA LYS A 39 13.255 4.683 3.326 1.00 0.65 H new ATOM 0 HB2 LYS A 39 13.874 7.096 3.335 1.00 0.83 H new ATOM 0 HB3 LYS A 39 15.388 6.662 4.103 1.00 0.83 H new ATOM 0 HG2 LYS A 39 15.739 6.854 1.686 1.00 1.04 H new ATOM 0 HG3 LYS A 39 15.960 5.184 2.171 1.00 1.04 H new ATOM 0 HD2 LYS A 39 13.805 4.543 1.269 1.00 3.21 H new ATOM 0 HD3 LYS A 39 13.338 6.214 1.023 1.00 3.21 H new ATOM 0 HE2 LYS A 39 13.868 5.533 -1.145 1.00 4.28 H new ATOM 0 HE3 LYS A 39 15.346 6.329 -0.643 1.00 4.28 H new ATOM 0 HZ1 LYS A 39 15.654 4.187 -1.804 1.00 5.61 H new ATOM 0 HZ2 LYS A 39 16.393 4.254 -0.277 1.00 5.61 H new ATOM 0 HZ3 LYS A 39 14.942 3.397 -0.480 1.00 5.61 H new ATOM 618 N GLU A 40 15.564 4.144 5.650 1.00 0.73 N ATOM 619 CA GLU A 40 16.489 3.167 6.212 1.00 0.95 C ATOM 620 C GLU A 40 15.832 1.781 6.287 1.00 0.84 C ATOM 621 O GLU A 40 16.347 0.797 5.763 1.00 0.96 O ATOM 622 CB GLU A 40 16.946 3.635 7.598 1.00 1.30 C ATOM 623 CG GLU A 40 17.797 4.910 7.521 1.00 1.55 C ATOM 624 CD GLU A 40 18.088 5.431 8.921 1.00 2.67 C ATOM 625 OE1 GLU A 40 17.257 6.224 9.413 1.00 3.83 O ATOM 626 OE2 GLU A 40 19.117 4.993 9.479 1.00 3.30 O ATOM 0 H GLU A 40 15.437 4.966 6.240 1.00 0.73 H new ATOM 0 HA GLU A 40 17.361 3.084 5.564 1.00 0.95 H new ATOM 0 HB2 GLU A 40 16.073 3.819 8.225 1.00 1.30 H new ATOM 0 HB3 GLU A 40 17.522 2.843 8.077 1.00 1.30 H new ATOM 0 HG2 GLU A 40 18.732 4.701 7.001 1.00 1.55 H new ATOM 0 HG3 GLU A 40 17.273 5.671 6.943 1.00 1.55 H new ATOM 633 N LEU A 41 14.676 1.711 6.942 1.00 0.76 N ATOM 634 CA LEU A 41 13.924 0.495 7.189 1.00 0.80 C ATOM 635 C LEU A 41 13.608 -0.177 5.856 1.00 0.74 C ATOM 636 O LEU A 41 13.997 -1.324 5.637 1.00 0.89 O ATOM 637 CB LEU A 41 12.675 0.849 8.021 1.00 0.89 C ATOM 638 CG LEU A 41 11.862 -0.307 8.626 1.00 1.68 C ATOM 639 CD1 LEU A 41 11.125 -1.146 7.582 1.00 3.58 C ATOM 640 CD2 LEU A 41 12.708 -1.190 9.550 1.00 2.17 C ATOM 0 H LEU A 41 14.223 2.539 7.330 1.00 0.76 H new ATOM 0 HA LEU A 41 14.498 -0.227 7.769 1.00 0.80 H new ATOM 0 HB2 LEU A 41 12.990 1.499 8.837 1.00 0.89 H new ATOM 0 HB3 LEU A 41 12.006 1.433 7.388 1.00 0.89 H new ATOM 0 HG LEU A 41 11.094 0.171 9.234 1.00 1.68 H new ATOM 0 HD11 LEU A 41 10.573 -1.943 8.080 1.00 3.58 H new ATOM 0 HD12 LEU A 41 10.430 -0.512 7.031 1.00 3.58 H new ATOM 0 HD13 LEU A 41 11.846 -1.582 6.890 1.00 3.58 H new ATOM 0 HD21 LEU A 41 12.090 -1.992 9.953 1.00 2.17 H new ATOM 0 HD22 LEU A 41 13.536 -1.619 8.986 1.00 2.17 H new ATOM 0 HD23 LEU A 41 13.100 -0.588 10.370 1.00 2.17 H new ATOM 652 N VAL A 42 12.945 0.526 4.930 1.00 0.63 N ATOM 653 CA VAL A 42 12.631 -0.091 3.647 1.00 0.74 C ATOM 654 C VAL A 42 13.928 -0.536 2.952 1.00 0.93 C ATOM 655 O VAL A 42 14.008 -1.674 2.509 1.00 1.10 O ATOM 656 CB VAL A 42 11.641 0.732 2.789 1.00 0.74 C ATOM 657 CG1 VAL A 42 10.383 1.063 3.600 1.00 1.27 C ATOM 658 CG2 VAL A 42 12.264 2.005 2.215 1.00 1.52 C ATOM 0 H VAL A 42 12.627 1.489 5.042 1.00 0.63 H new ATOM 0 HA VAL A 42 12.058 -1.002 3.820 1.00 0.74 H new ATOM 0 HB VAL A 42 11.368 0.110 1.936 1.00 0.74 H new ATOM 0 HG11 VAL A 42 9.695 1.642 2.984 1.00 1.27 H new ATOM 0 HG12 VAL A 42 9.899 0.138 3.914 1.00 1.27 H new ATOM 0 HG13 VAL A 42 10.660 1.644 4.480 1.00 1.27 H new ATOM 0 HG21 VAL A 42 11.521 2.539 1.623 1.00 1.52 H new ATOM 0 HG22 VAL A 42 12.605 2.643 3.030 1.00 1.52 H new ATOM 0 HG23 VAL A 42 13.111 1.742 1.582 1.00 1.52 H new ATOM 668 N THR A 43 15.003 0.260 2.923 1.00 1.00 N ATOM 669 CA THR A 43 16.226 -0.243 2.289 1.00 1.19 C ATOM 670 C THR A 43 16.832 -1.484 2.966 1.00 1.37 C ATOM 671 O THR A 43 17.640 -2.163 2.334 1.00 1.84 O ATOM 672 CB THR A 43 17.251 0.853 1.957 1.00 1.11 C ATOM 673 OG1 THR A 43 18.126 0.372 0.958 1.00 1.68 O ATOM 674 CG2 THR A 43 18.093 1.322 3.140 1.00 1.39 C ATOM 0 H THR A 43 15.055 1.203 3.308 1.00 1.00 H new ATOM 0 HA THR A 43 15.891 -0.611 1.319 1.00 1.19 H new ATOM 0 HB THR A 43 16.669 1.714 1.629 1.00 1.11 H new ATOM 0 HG1 THR A 43 18.156 -0.607 0.993 1.00 1.68 H new ATOM 0 HG21 THR A 43 18.787 2.095 2.809 1.00 1.39 H new ATOM 0 HG22 THR A 43 17.440 1.727 3.913 1.00 1.39 H new ATOM 0 HG23 THR A 43 18.654 0.479 3.544 1.00 1.39 H new ATOM 682 N GLN A 44 16.484 -1.769 4.226 1.00 1.12 N ATOM 683 CA GLN A 44 16.881 -2.988 4.926 1.00 1.25 C ATOM 684 C GLN A 44 15.956 -4.137 4.523 1.00 1.19 C ATOM 685 O GLN A 44 16.408 -5.148 3.991 1.00 1.20 O ATOM 686 CB GLN A 44 16.891 -2.765 6.447 1.00 1.26 C ATOM 687 CG GLN A 44 18.044 -1.852 6.891 1.00 2.08 C ATOM 688 CD GLN A 44 19.402 -2.537 6.787 1.00 2.72 C ATOM 689 OE1 GLN A 44 20.254 -2.138 6.002 1.00 4.33 O ATOM 690 NE2 GLN A 44 19.622 -3.578 7.585 1.00 3.00 N ATOM 0 H GLN A 44 15.909 -1.147 4.794 1.00 1.12 H new ATOM 0 HA GLN A 44 17.898 -3.255 4.638 1.00 1.25 H new ATOM 0 HB2 GLN A 44 15.942 -2.325 6.754 1.00 1.26 H new ATOM 0 HB3 GLN A 44 16.975 -3.727 6.953 1.00 1.26 H new ATOM 0 HG2 GLN A 44 18.047 -0.951 6.278 1.00 2.08 H new ATOM 0 HG3 GLN A 44 17.878 -1.536 7.921 1.00 2.08 H new ATOM 0 HE21 GLN A 44 18.895 -3.889 8.229 1.00 3.00 H new ATOM 0 HE22 GLN A 44 20.518 -4.065 7.553 1.00 3.00 H new ATOM 699 N GLN A 45 14.650 -3.974 4.760 1.00 1.17 N ATOM 700 CA GLN A 45 13.622 -4.942 4.377 1.00 1.09 C ATOM 701 C GLN A 45 13.586 -5.214 2.869 1.00 1.11 C ATOM 702 O GLN A 45 12.965 -6.188 2.454 1.00 1.07 O ATOM 703 CB GLN A 45 12.238 -4.530 4.909 1.00 1.09 C ATOM 704 CG GLN A 45 11.942 -5.163 6.279 1.00 1.32 C ATOM 705 CD GLN A 45 12.556 -4.427 7.467 1.00 1.31 C ATOM 706 OE1 GLN A 45 13.567 -3.747 7.347 1.00 1.90 O ATOM 707 NE2 GLN A 45 11.951 -4.562 8.645 1.00 2.37 N ATOM 0 H GLN A 45 14.274 -3.151 5.231 1.00 1.17 H new ATOM 0 HA GLN A 45 13.898 -5.885 4.849 1.00 1.09 H new ATOM 0 HB2 GLN A 45 12.189 -3.444 4.992 1.00 1.09 H new ATOM 0 HB3 GLN A 45 11.470 -4.830 4.196 1.00 1.09 H new ATOM 0 HG2 GLN A 45 10.862 -5.210 6.417 1.00 1.32 H new ATOM 0 HG3 GLN A 45 12.308 -6.190 6.276 1.00 1.32 H new ATOM 0 HE21 GLN A 45 11.110 -5.133 8.724 1.00 2.37 H new ATOM 0 HE22 GLN A 45 12.329 -4.094 9.469 1.00 2.37 H new ATOM 716 N LEU A 46 14.209 -4.330 2.087 1.00 1.31 N ATOM 717 CA LEU A 46 14.398 -4.261 0.648 1.00 1.51 C ATOM 718 C LEU A 46 15.543 -5.049 -0.042 1.00 1.27 C ATOM 719 O LEU A 46 16.346 -4.413 -0.722 1.00 1.62 O ATOM 720 CB LEU A 46 13.156 -4.004 -0.223 1.00 1.18 C ATOM 721 CG LEU A 46 11.750 -3.689 0.335 1.00 1.42 C ATOM 722 CD1 LEU A 46 11.582 -2.498 1.275 1.00 1.74 C ATOM 723 CD2 LEU A 46 10.880 -3.323 -0.875 1.00 1.56 C ATOM 0 H LEU A 46 14.658 -3.526 2.525 1.00 1.31 H new ATOM 0 HA LEU A 46 14.896 -3.293 0.699 1.00 1.51 H new ATOM 0 HB2 LEU A 46 13.414 -3.174 -0.880 1.00 1.18 H new ATOM 0 HB3 LEU A 46 13.041 -4.886 -0.854 1.00 1.18 H new ATOM 0 HG LEU A 46 11.496 -4.576 0.916 1.00 1.42 H new ATOM 0 HD11 LEU A 46 10.537 -2.416 1.575 1.00 1.74 H new ATOM 0 HD12 LEU A 46 12.203 -2.642 2.159 1.00 1.74 H new ATOM 0 HD13 LEU A 46 11.886 -1.585 0.763 1.00 1.74 H new ATOM 0 HD21 LEU A 46 9.870 -3.089 -0.539 1.00 1.56 H new ATOM 0 HD22 LEU A 46 11.305 -2.455 -1.379 1.00 1.56 H new ATOM 0 HD23 LEU A 46 10.847 -4.164 -1.567 1.00 1.56 H new ATOM 735 N PRO A 47 15.663 -6.392 0.007 1.00 1.00 N ATOM 736 CA PRO A 47 16.655 -7.102 -0.800 1.00 1.18 C ATOM 737 C PRO A 47 16.210 -7.183 -2.268 1.00 1.07 C ATOM 738 O PRO A 47 17.059 -7.260 -3.161 1.00 1.16 O ATOM 739 CB PRO A 47 16.775 -8.487 -0.169 1.00 1.58 C ATOM 740 CG PRO A 47 15.369 -8.738 0.351 1.00 1.36 C ATOM 741 CD PRO A 47 14.884 -7.349 0.769 1.00 0.99 C ATOM 0 HA PRO A 47 17.617 -6.589 -0.810 1.00 1.18 H new ATOM 0 HB2 PRO A 47 17.078 -9.239 -0.897 1.00 1.58 H new ATOM 0 HB3 PRO A 47 17.513 -8.504 0.633 1.00 1.58 H new ATOM 0 HG2 PRO A 47 14.729 -9.171 -0.418 1.00 1.36 H new ATOM 0 HG3 PRO A 47 15.371 -9.431 1.192 1.00 1.36 H new ATOM 0 HD2 PRO A 47 13.820 -7.232 0.565 1.00 0.99 H new ATOM 0 HD3 PRO A 47 15.022 -7.196 1.839 1.00 0.99 H new ATOM 749 N HIS A 48 14.888 -7.181 -2.492 1.00 1.55 N ATOM 750 CA HIS A 48 14.176 -6.865 -3.729 1.00 1.85 C ATOM 751 C HIS A 48 14.845 -5.635 -4.397 1.00 2.27 C ATOM 752 O HIS A 48 14.441 -4.498 -4.176 1.00 3.99 O ATOM 753 CB HIS A 48 12.717 -6.552 -3.345 1.00 2.40 C ATOM 754 CG HIS A 48 11.825 -7.603 -3.902 1.00 3.00 C ATOM 755 ND1 HIS A 48 11.581 -8.823 -3.313 1.00 4.03 N ATOM 756 CD2 HIS A 48 11.652 -7.752 -5.244 1.00 3.05 C ATOM 757 CE1 HIS A 48 11.249 -9.679 -4.282 1.00 4.60 C ATOM 758 NE2 HIS A 48 11.291 -9.071 -5.474 1.00 4.06 N ATOM 0 H HIS A 48 14.237 -7.422 -1.744 1.00 1.55 H new ATOM 0 HA HIS A 48 14.206 -7.694 -4.436 1.00 1.85 H new ATOM 0 HB2 HIS A 48 12.615 -6.510 -2.261 1.00 2.40 H new ATOM 0 HB3 HIS A 48 12.430 -5.574 -3.730 1.00 2.40 H new ATOM 0 HD1 HIS A 48 11.643 -9.035 -2.317 1.00 4.03 H new ATOM 0 HD2 HIS A 48 11.774 -6.983 -5.993 1.00 3.05 H new ATOM 0 HE1 HIS A 48 10.984 -10.714 -4.127 1.00 4.60 H new ATOM 766 N LEU A 49 15.892 -5.879 -5.189 1.00 1.51 N ATOM 767 CA LEU A 49 16.955 -4.988 -5.674 1.00 1.58 C ATOM 768 C LEU A 49 17.124 -3.563 -5.088 1.00 1.61 C ATOM 769 O LEU A 49 18.233 -3.237 -4.675 1.00 1.89 O ATOM 770 CB LEU A 49 17.009 -5.033 -7.211 1.00 1.47 C ATOM 771 CG LEU A 49 18.194 -4.267 -7.831 1.00 1.90 C ATOM 772 CD1 LEU A 49 19.549 -4.844 -7.398 1.00 3.14 C ATOM 773 CD2 LEU A 49 18.095 -4.342 -9.359 1.00 2.30 C ATOM 0 H LEU A 49 16.034 -6.822 -5.551 1.00 1.51 H new ATOM 0 HA LEU A 49 17.847 -5.425 -5.226 1.00 1.58 H new ATOM 0 HB2 LEU A 49 17.059 -6.074 -7.530 1.00 1.47 H new ATOM 0 HB3 LEU A 49 16.080 -4.622 -7.607 1.00 1.47 H new ATOM 0 HG LEU A 49 18.139 -3.236 -7.482 1.00 1.90 H new ATOM 0 HD11 LEU A 49 20.353 -4.271 -7.860 1.00 3.14 H new ATOM 0 HD12 LEU A 49 19.639 -4.786 -6.313 1.00 3.14 H new ATOM 0 HD13 LEU A 49 19.618 -5.885 -7.712 1.00 3.14 H new ATOM 0 HD21 LEU A 49 18.930 -3.802 -9.805 1.00 2.30 H new ATOM 0 HD22 LEU A 49 18.127 -5.385 -9.675 1.00 2.30 H new ATOM 0 HD23 LEU A 49 17.157 -3.893 -9.685 1.00 2.30 H new ATOM 785 N LEU A 50 16.116 -2.681 -5.131 1.00 1.36 N ATOM 786 CA LEU A 50 16.229 -1.249 -4.850 1.00 1.25 C ATOM 787 C LEU A 50 17.271 -0.581 -5.734 1.00 1.26 C ATOM 788 O LEU A 50 18.311 -0.086 -5.305 1.00 1.51 O ATOM 789 CB LEU A 50 16.414 -0.952 -3.368 1.00 1.62 C ATOM 790 CG LEU A 50 15.113 -1.209 -2.600 1.00 2.20 C ATOM 791 CD1 LEU A 50 15.491 -1.153 -1.134 1.00 3.00 C ATOM 792 CD2 LEU A 50 14.022 -0.158 -2.846 1.00 3.58 C ATOM 0 H LEU A 50 15.165 -2.959 -5.372 1.00 1.36 H new ATOM 0 HA LEU A 50 15.272 -0.798 -5.112 1.00 1.25 H new ATOM 0 HB2 LEU A 50 17.211 -1.576 -2.963 1.00 1.62 H new ATOM 0 HB3 LEU A 50 16.722 0.085 -3.235 1.00 1.62 H new ATOM 0 HG LEU A 50 14.698 -2.162 -2.928 1.00 2.20 H new ATOM 0 HD11 LEU A 50 14.606 -1.329 -0.523 1.00 3.00 H new ATOM 0 HD12 LEU A 50 16.237 -1.919 -0.921 1.00 3.00 H new ATOM 0 HD13 LEU A 50 15.903 -0.171 -0.902 1.00 3.00 H new ATOM 0 HD21 LEU A 50 13.134 -0.412 -2.267 1.00 3.58 H new ATOM 0 HD22 LEU A 50 14.386 0.823 -2.540 1.00 3.58 H new ATOM 0 HD23 LEU A 50 13.769 -0.137 -3.906 1.00 3.58 H new ATOM 804 N LYS A 51 16.927 -0.564 -7.016 1.00 1.13 N ATOM 805 CA LYS A 51 17.652 0.116 -8.065 1.00 1.28 C ATOM 806 C LYS A 51 17.577 1.646 -7.925 1.00 1.33 C ATOM 807 O LYS A 51 18.454 2.343 -8.422 1.00 1.49 O ATOM 808 CB LYS A 51 17.104 -0.384 -9.399 1.00 1.25 C ATOM 809 CG LYS A 51 15.638 0.032 -9.578 1.00 1.11 C ATOM 810 CD LYS A 51 15.549 1.316 -10.419 1.00 1.34 C ATOM 811 CE LYS A 51 15.427 1.058 -11.926 1.00 1.53 C ATOM 812 NZ LYS A 51 16.669 0.499 -12.500 1.00 2.28 N ATOM 0 H LYS A 51 16.097 -1.047 -7.361 1.00 1.13 H new ATOM 0 HA LYS A 51 18.715 -0.114 -7.998 1.00 1.28 H new ATOM 0 HB2 LYS A 51 17.703 0.018 -10.216 1.00 1.25 H new ATOM 0 HB3 LYS A 51 17.187 -1.470 -9.447 1.00 1.25 H new ATOM 0 HG2 LYS A 51 15.082 -0.769 -10.065 1.00 1.11 H new ATOM 0 HG3 LYS A 51 15.177 0.194 -8.604 1.00 1.11 H new ATOM 0 HD2 LYS A 51 14.689 1.898 -10.088 1.00 1.34 H new ATOM 0 HD3 LYS A 51 16.435 1.923 -10.234 1.00 1.34 H new ATOM 0 HE2 LYS A 51 14.602 0.369 -12.109 1.00 1.53 H new ATOM 0 HE3 LYS A 51 15.182 1.991 -12.434 1.00 1.53 H new ATOM 0 HZ1 LYS A 51 16.661 0.623 -13.533 1.00 2.28 H new ATOM 0 HZ2 LYS A 51 17.491 0.994 -12.099 1.00 2.28 H new ATOM 0 HZ3 LYS A 51 16.731 -0.514 -12.273 1.00 2.28 H new ATOM 826 N ASP A 52 16.484 2.138 -7.327 1.00 1.26 N ATOM 827 CA ASP A 52 16.241 3.494 -6.853 1.00 1.33 C ATOM 828 C ASP A 52 16.683 4.603 -7.808 1.00 1.36 C ATOM 829 O ASP A 52 17.790 5.125 -7.711 1.00 1.57 O ATOM 830 CB ASP A 52 16.786 3.668 -5.428 1.00 1.62 C ATOM 831 CG ASP A 52 15.950 2.930 -4.390 1.00 1.74 C ATOM 832 OD1 ASP A 52 15.372 1.887 -4.770 1.00 1.94 O ATOM 833 OD2 ASP A 52 15.891 3.432 -3.238 1.00 3.00 O ATOM 0 H ASP A 52 15.679 1.537 -7.150 1.00 1.26 H new ATOM 0 HA ASP A 52 15.158 3.617 -6.824 1.00 1.33 H new ATOM 0 HB2 ASP A 52 17.813 3.304 -5.388 1.00 1.62 H new ATOM 0 HB3 ASP A 52 16.814 4.729 -5.180 1.00 1.62 H new ATOM 838 N VAL A 53 15.766 5.024 -8.686 1.00 1.30 N ATOM 839 CA VAL A 53 15.939 6.197 -9.523 1.00 1.41 C ATOM 840 C VAL A 53 14.598 6.914 -9.667 1.00 1.18 C ATOM 841 O VAL A 53 13.542 6.298 -9.499 1.00 1.50 O ATOM 842 CB VAL A 53 16.559 5.787 -10.869 1.00 1.98 C ATOM 843 CG1 VAL A 53 15.608 4.927 -11.711 1.00 2.14 C ATOM 844 CG2 VAL A 53 17.013 7.001 -11.686 1.00 2.65 C ATOM 0 H VAL A 53 14.875 4.548 -8.830 1.00 1.30 H new ATOM 0 HA VAL A 53 16.632 6.903 -9.065 1.00 1.41 H new ATOM 0 HB VAL A 53 17.434 5.187 -10.620 1.00 1.98 H new ATOM 0 HG11 VAL A 53 16.092 4.664 -12.651 1.00 2.14 H new ATOM 0 HG12 VAL A 53 15.359 4.018 -11.164 1.00 2.14 H new ATOM 0 HG13 VAL A 53 14.696 5.488 -11.917 1.00 2.14 H new ATOM 0 HG21 VAL A 53 17.445 6.664 -12.629 1.00 2.65 H new ATOM 0 HG22 VAL A 53 16.157 7.644 -11.888 1.00 2.65 H new ATOM 0 HG23 VAL A 53 17.761 7.559 -11.123 1.00 2.65 H new ATOM 854 N GLY A 54 14.644 8.215 -9.957 1.00 1.21 N ATOM 855 CA GLY A 54 13.470 9.050 -10.134 1.00 1.23 C ATOM 856 C GLY A 54 12.769 9.259 -8.798 1.00 1.20 C ATOM 857 O GLY A 54 12.970 10.273 -8.137 1.00 1.27 O ATOM 0 H GLY A 54 15.521 8.722 -10.077 1.00 1.21 H new ATOM 0 HA2 GLY A 54 13.759 10.012 -10.556 1.00 1.23 H new ATOM 0 HA3 GLY A 54 12.786 8.584 -10.843 1.00 1.23 H new ATOM 861 N SER A 55 11.978 8.278 -8.371 1.00 1.21 N ATOM 862 CA SER A 55 11.167 8.415 -7.170 1.00 1.17 C ATOM 863 C SER A 55 12.000 8.248 -5.902 1.00 1.07 C ATOM 864 O SER A 55 11.650 8.778 -4.847 1.00 1.06 O ATOM 865 CB SER A 55 9.903 7.567 -7.282 1.00 1.18 C ATOM 866 OG SER A 55 9.372 7.804 -8.577 1.00 1.59 O ATOM 0 H SER A 55 11.883 7.378 -8.842 1.00 1.21 H new ATOM 0 HA SER A 55 10.797 9.436 -7.079 1.00 1.17 H new ATOM 0 HB2 SER A 55 10.131 6.510 -7.144 1.00 1.18 H new ATOM 0 HB3 SER A 55 9.183 7.841 -6.511 1.00 1.18 H new ATOM 0 HG SER A 55 9.612 8.708 -8.869 1.00 1.59 H new ATOM 872 N LEU A 56 13.179 7.640 -6.061 1.00 1.04 N ATOM 873 CA LEU A 56 14.304 7.859 -5.171 1.00 1.02 C ATOM 874 C LEU A 56 14.381 9.332 -4.796 1.00 0.93 C ATOM 875 O LEU A 56 14.337 9.646 -3.613 1.00 0.94 O ATOM 876 CB LEU A 56 15.595 7.410 -5.863 1.00 1.08 C ATOM 877 CG LEU A 56 16.901 7.634 -5.072 1.00 1.52 C ATOM 878 CD1 LEU A 56 17.463 9.061 -5.153 1.00 1.84 C ATOM 879 CD2 LEU A 56 16.806 7.190 -3.606 1.00 2.70 C ATOM 0 H LEU A 56 13.373 6.981 -6.815 1.00 1.04 H new ATOM 0 HA LEU A 56 14.173 7.276 -4.260 1.00 1.02 H new ATOM 0 HB2 LEU A 56 15.510 6.348 -6.092 1.00 1.08 H new ATOM 0 HB3 LEU A 56 15.675 7.936 -6.814 1.00 1.08 H new ATOM 0 HG LEU A 56 17.612 6.985 -5.583 1.00 1.52 H new ATOM 0 HD11 LEU A 56 18.380 9.125 -4.568 1.00 1.84 H new ATOM 0 HD12 LEU A 56 17.678 9.309 -6.192 1.00 1.84 H new ATOM 0 HD13 LEU A 56 16.730 9.764 -4.756 1.00 1.84 H new ATOM 0 HD21 LEU A 56 17.757 7.375 -3.107 1.00 2.70 H new ATOM 0 HD22 LEU A 56 16.018 7.753 -3.106 1.00 2.70 H new ATOM 0 HD23 LEU A 56 16.574 6.126 -3.562 1.00 2.70 H new ATOM 891 N ASP A 57 14.489 10.232 -5.780 1.00 0.95 N ATOM 892 CA ASP A 57 14.638 11.650 -5.491 1.00 1.05 C ATOM 893 C ASP A 57 13.401 12.176 -4.758 1.00 0.98 C ATOM 894 O ASP A 57 13.529 12.756 -3.682 1.00 0.98 O ATOM 895 CB ASP A 57 14.949 12.464 -6.753 1.00 1.29 C ATOM 896 CG ASP A 57 15.005 13.949 -6.432 1.00 1.94 C ATOM 897 OD1 ASP A 57 15.451 14.311 -5.321 1.00 2.87 O ATOM 898 OD2 ASP A 57 14.484 14.760 -7.229 1.00 2.50 O ATOM 0 H ASP A 57 14.475 10.000 -6.773 1.00 0.95 H new ATOM 0 HA ASP A 57 15.497 11.772 -4.832 1.00 1.05 H new ATOM 0 HB2 ASP A 57 15.901 12.142 -7.175 1.00 1.29 H new ATOM 0 HB3 ASP A 57 14.186 12.278 -7.509 1.00 1.29 H new ATOM 903 N GLU A 58 12.206 11.947 -5.325 1.00 1.04 N ATOM 904 CA GLU A 58 10.905 12.296 -4.741 1.00 1.14 C ATOM 905 C GLU A 58 10.887 12.026 -3.226 1.00 0.97 C ATOM 906 O GLU A 58 10.473 12.877 -2.439 1.00 1.04 O ATOM 907 CB GLU A 58 9.761 11.539 -5.452 1.00 1.37 C ATOM 908 CG GLU A 58 9.632 11.887 -6.952 1.00 2.12 C ATOM 909 CD GLU A 58 8.696 10.945 -7.711 1.00 3.55 C ATOM 910 OE1 GLU A 58 7.536 10.744 -7.293 1.00 4.16 O ATOM 911 OE2 GLU A 58 9.134 10.353 -8.726 1.00 4.88 O ATOM 0 H GLU A 58 12.118 11.497 -6.236 1.00 1.04 H new ATOM 0 HA GLU A 58 10.746 13.364 -4.891 1.00 1.14 H new ATOM 0 HB2 GLU A 58 9.926 10.467 -5.349 1.00 1.37 H new ATOM 0 HB3 GLU A 58 8.820 11.766 -4.952 1.00 1.37 H new ATOM 0 HG2 GLU A 58 9.267 12.909 -7.051 1.00 2.12 H new ATOM 0 HG3 GLU A 58 10.620 11.856 -7.412 1.00 2.12 H new ATOM 918 N LYS A 59 11.374 10.856 -2.814 1.00 0.87 N ATOM 919 CA LYS A 59 11.460 10.471 -1.415 1.00 0.85 C ATOM 920 C LYS A 59 12.650 11.079 -0.681 1.00 0.80 C ATOM 921 O LYS A 59 12.485 11.670 0.383 1.00 0.82 O ATOM 922 CB LYS A 59 11.442 8.940 -1.347 1.00 0.91 C ATOM 923 CG LYS A 59 9.984 8.573 -1.090 1.00 0.69 C ATOM 924 CD LYS A 59 9.492 7.258 -1.689 1.00 0.83 C ATOM 925 CE LYS A 59 10.307 6.008 -1.388 1.00 0.71 C ATOM 926 NZ LYS A 59 9.992 5.001 -2.410 1.00 1.86 N ATOM 0 H LYS A 59 11.723 10.143 -3.455 1.00 0.87 H new ATOM 0 HA LYS A 59 10.599 10.878 -0.885 1.00 0.85 H new ATOM 0 HB2 LYS A 59 11.802 8.499 -2.277 1.00 0.91 H new ATOM 0 HB3 LYS A 59 12.088 8.573 -0.549 1.00 0.91 H new ATOM 0 HG2 LYS A 59 9.828 8.535 -0.012 1.00 0.69 H new ATOM 0 HG3 LYS A 59 9.358 9.378 -1.475 1.00 0.69 H new ATOM 0 HD2 LYS A 59 8.473 7.089 -1.341 1.00 0.83 H new ATOM 0 HD3 LYS A 59 9.444 7.377 -2.771 1.00 0.83 H new ATOM 0 HE2 LYS A 59 11.373 6.237 -1.395 1.00 0.71 H new ATOM 0 HE3 LYS A 59 10.069 5.629 -0.394 1.00 0.71 H new ATOM 0 HZ1 LYS A 59 10.788 4.338 -2.501 1.00 1.86 H new ATOM 0 HZ2 LYS A 59 9.137 4.479 -2.131 1.00 1.86 H new ATOM 0 HZ3 LYS A 59 9.827 5.472 -3.322 1.00 1.86 H new ATOM 940 N MET A 60 13.845 10.908 -1.223 1.00 0.81 N ATOM 941 CA MET A 60 15.084 11.447 -0.679 1.00 0.83 C ATOM 942 C MET A 60 14.910 12.908 -0.259 1.00 0.86 C ATOM 943 O MET A 60 15.232 13.255 0.874 1.00 0.91 O ATOM 944 CB MET A 60 16.222 11.271 -1.692 1.00 0.89 C ATOM 945 CG MET A 60 17.576 11.716 -1.130 1.00 1.06 C ATOM 946 SD MET A 60 18.970 11.391 -2.238 1.00 1.68 S ATOM 947 CE MET A 60 20.323 12.039 -1.232 1.00 2.60 C ATOM 0 H MET A 60 13.985 10.374 -2.080 1.00 0.81 H new ATOM 0 HA MET A 60 15.347 10.890 0.220 1.00 0.83 H new ATOM 0 HB2 MET A 60 16.281 10.224 -1.990 1.00 0.89 H new ATOM 0 HB3 MET A 60 15.998 11.846 -2.590 1.00 0.89 H new ATOM 0 HG2 MET A 60 17.536 12.784 -0.915 1.00 1.06 H new ATOM 0 HG3 MET A 60 17.751 11.206 -0.182 1.00 1.06 H new ATOM 0 HE1 MET A 60 21.265 11.918 -1.767 1.00 2.60 H new ATOM 0 HE2 MET A 60 20.153 13.097 -1.031 1.00 2.60 H new ATOM 0 HE3 MET A 60 20.369 11.494 -0.289 1.00 2.60 H new ATOM 957 N LYS A 61 14.377 13.760 -1.141 1.00 0.88 N ATOM 958 CA LYS A 61 14.122 15.155 -0.791 1.00 0.95 C ATOM 959 C LYS A 61 13.151 15.245 0.394 1.00 0.94 C ATOM 960 O LYS A 61 13.380 15.984 1.345 1.00 1.00 O ATOM 961 CB LYS A 61 13.659 15.961 -2.015 1.00 1.09 C ATOM 962 CG LYS A 61 12.280 15.529 -2.535 1.00 1.48 C ATOM 963 CD LYS A 61 11.766 16.298 -3.752 1.00 1.69 C ATOM 964 CE LYS A 61 12.390 15.966 -5.117 1.00 2.09 C ATOM 965 NZ LYS A 61 13.823 16.284 -5.245 1.00 2.68 N ATOM 0 H LYS A 61 14.117 13.508 -2.094 1.00 0.88 H new ATOM 0 HA LYS A 61 15.056 15.613 -0.466 1.00 0.95 H new ATOM 0 HB2 LYS A 61 13.627 17.019 -1.755 1.00 1.09 H new ATOM 0 HB3 LYS A 61 14.393 15.851 -2.814 1.00 1.09 H new ATOM 0 HG2 LYS A 61 12.322 14.469 -2.787 1.00 1.48 H new ATOM 0 HG3 LYS A 61 11.556 15.636 -1.727 1.00 1.48 H new ATOM 0 HD2 LYS A 61 10.691 16.133 -3.825 1.00 1.69 H new ATOM 0 HD3 LYS A 61 11.913 17.362 -3.565 1.00 1.69 H new ATOM 0 HE2 LYS A 61 12.251 14.903 -5.313 1.00 2.09 H new ATOM 0 HE3 LYS A 61 11.844 16.507 -5.890 1.00 2.09 H new ATOM 0 HZ1 LYS A 61 14.097 16.253 -6.248 1.00 2.68 H new ATOM 0 HZ2 LYS A 61 14.003 17.236 -4.867 1.00 2.68 H new ATOM 0 HZ3 LYS A 61 14.382 15.588 -4.711 1.00 2.68 H new ATOM 979 N SER A 62 12.062 14.475 0.342 1.00 0.94 N ATOM 980 CA SER A 62 11.105 14.374 1.440 1.00 1.04 C ATOM 981 C SER A 62 11.820 14.081 2.769 1.00 1.10 C ATOM 982 O SER A 62 11.526 14.727 3.774 1.00 1.28 O ATOM 983 CB SER A 62 10.014 13.339 1.121 1.00 1.14 C ATOM 984 OG SER A 62 8.861 13.582 1.901 1.00 2.04 O ATOM 0 H SER A 62 11.820 13.903 -0.467 1.00 0.94 H new ATOM 0 HA SER A 62 10.607 15.337 1.555 1.00 1.04 H new ATOM 0 HB2 SER A 62 9.760 13.383 0.062 1.00 1.14 H new ATOM 0 HB3 SER A 62 10.388 12.334 1.317 1.00 1.14 H new ATOM 0 HG SER A 62 8.174 12.917 1.686 1.00 2.04 H new ATOM 990 N LEU A 63 12.785 13.147 2.778 1.00 1.05 N ATOM 991 CA LEU A 63 13.632 12.967 3.954 1.00 1.20 C ATOM 992 C LEU A 63 14.395 14.275 4.228 1.00 1.19 C ATOM 993 O LEU A 63 14.220 14.870 5.286 1.00 1.26 O ATOM 994 CB LEU A 63 14.595 11.754 3.867 1.00 1.36 C ATOM 995 CG LEU A 63 14.032 10.342 4.071 1.00 1.62 C ATOM 996 CD1 LEU A 63 13.064 9.925 2.957 1.00 1.99 C ATOM 997 CD2 LEU A 63 15.230 9.394 4.133 1.00 2.54 C ATOM 0 H LEU A 63 12.991 12.521 2.000 1.00 1.05 H new ATOM 0 HA LEU A 63 12.974 12.733 4.791 1.00 1.20 H new ATOM 0 HB2 LEU A 63 15.070 11.780 2.886 1.00 1.36 H new ATOM 0 HB3 LEU A 63 15.382 11.905 4.606 1.00 1.36 H new ATOM 0 HG LEU A 63 13.448 10.310 4.991 1.00 1.62 H new ATOM 0 HD11 LEU A 63 12.697 8.918 3.153 1.00 1.99 H new ATOM 0 HD12 LEU A 63 12.224 10.618 2.927 1.00 1.99 H new ATOM 0 HD13 LEU A 63 13.583 9.942 1.999 1.00 1.99 H new ATOM 0 HD21 LEU A 63 14.879 8.372 4.278 1.00 2.54 H new ATOM 0 HD22 LEU A 63 15.791 9.456 3.201 1.00 2.54 H new ATOM 0 HD23 LEU A 63 15.875 9.677 4.965 1.00 2.54 H new ATOM 1009 N ASP A 64 15.218 14.734 3.282 1.00 1.15 N ATOM 1010 CA ASP A 64 16.098 15.894 3.445 1.00 1.25 C ATOM 1011 C ASP A 64 15.410 17.072 4.155 1.00 1.25 C ATOM 1012 O ASP A 64 15.951 17.636 5.105 1.00 1.42 O ATOM 1013 CB ASP A 64 16.632 16.314 2.071 1.00 1.24 C ATOM 1014 CG ASP A 64 17.568 17.508 2.170 1.00 1.47 C ATOM 1015 OD1 ASP A 64 18.775 17.266 2.389 1.00 2.03 O ATOM 1016 OD2 ASP A 64 17.063 18.636 1.989 1.00 2.42 O ATOM 0 H ASP A 64 15.293 14.300 2.362 1.00 1.15 H new ATOM 0 HA ASP A 64 16.926 15.600 4.091 1.00 1.25 H new ATOM 0 HB2 ASP A 64 17.159 15.476 1.614 1.00 1.24 H new ATOM 0 HB3 ASP A 64 15.796 16.561 1.416 1.00 1.24 H new ATOM 1021 N VAL A 65 14.195 17.408 3.708 1.00 1.11 N ATOM 1022 CA VAL A 65 13.404 18.533 4.203 1.00 1.11 C ATOM 1023 C VAL A 65 13.278 18.515 5.728 1.00 1.11 C ATOM 1024 O VAL A 65 13.757 19.418 6.409 1.00 1.22 O ATOM 1025 CB VAL A 65 12.021 18.515 3.526 1.00 1.12 C ATOM 1026 CG1 VAL A 65 11.011 19.476 4.168 1.00 1.73 C ATOM 1027 CG2 VAL A 65 12.168 18.913 2.061 1.00 2.04 C ATOM 0 H VAL A 65 13.723 16.887 2.969 1.00 1.11 H new ATOM 0 HA VAL A 65 13.917 19.460 3.948 1.00 1.11 H new ATOM 0 HB VAL A 65 11.641 17.500 3.642 1.00 1.12 H new ATOM 0 HG11 VAL A 65 10.060 19.410 3.640 1.00 1.73 H new ATOM 0 HG12 VAL A 65 10.865 19.205 5.214 1.00 1.73 H new ATOM 0 HG13 VAL A 65 11.390 20.496 4.107 1.00 1.73 H new ATOM 0 HG21 VAL A 65 11.190 18.901 1.581 1.00 2.04 H new ATOM 0 HG22 VAL A 65 12.591 19.916 1.997 1.00 2.04 H new ATOM 0 HG23 VAL A 65 12.829 18.208 1.557 1.00 2.04 H new ATOM 1037 N ASN A 66 12.562 17.520 6.252 1.00 1.01 N ATOM 1038 CA ASN A 66 12.338 17.359 7.694 1.00 0.99 C ATOM 1039 C ASN A 66 12.175 15.884 8.031 1.00 0.94 C ATOM 1040 O ASN A 66 11.140 15.472 8.561 1.00 0.96 O ATOM 1041 CB ASN A 66 11.115 18.155 8.195 1.00 1.04 C ATOM 1042 CG ASN A 66 11.377 19.653 8.320 1.00 1.57 C ATOM 1043 OD1 ASN A 66 12.132 20.087 9.184 1.00 2.28 O ATOM 1044 ND2 ASN A 66 10.724 20.472 7.499 1.00 2.40 N ATOM 0 H ASN A 66 12.117 16.797 5.687 1.00 1.01 H new ATOM 0 HA ASN A 66 13.213 17.761 8.205 1.00 0.99 H new ATOM 0 HB2 ASN A 66 10.282 17.995 7.511 1.00 1.04 H new ATOM 0 HB3 ASN A 66 10.810 17.765 9.166 1.00 1.04 H new ATOM 0 HD21 ASN A 66 10.847 21.481 7.581 1.00 2.40 H new ATOM 0 HD22 ASN A 66 10.101 20.090 6.787 1.00 2.40 H new ATOM 1051 N GLN A 67 13.201 15.083 7.733 1.00 0.95 N ATOM 1052 CA GLN A 67 13.168 13.645 7.936 1.00 0.96 C ATOM 1053 C GLN A 67 12.710 13.255 9.336 1.00 1.01 C ATOM 1054 O GLN A 67 12.122 12.194 9.535 1.00 1.10 O ATOM 1055 CB GLN A 67 14.515 12.964 7.656 1.00 0.98 C ATOM 1056 CG GLN A 67 15.731 13.570 8.381 1.00 1.02 C ATOM 1057 CD GLN A 67 16.275 14.801 7.663 1.00 1.84 C ATOM 1058 OE1 GLN A 67 16.919 14.667 6.628 1.00 2.74 O ATOM 1059 NE2 GLN A 67 16.016 15.995 8.188 1.00 2.34 N ATOM 0 H GLN A 67 14.080 15.422 7.342 1.00 0.95 H new ATOM 0 HA GLN A 67 12.437 13.291 7.209 1.00 0.96 H new ATOM 0 HB2 GLN A 67 14.435 11.913 7.935 1.00 0.98 H new ATOM 0 HB3 GLN A 67 14.702 12.996 6.583 1.00 0.98 H new ATOM 0 HG2 GLN A 67 15.448 13.840 9.398 1.00 1.02 H new ATOM 0 HG3 GLN A 67 16.517 12.819 8.458 1.00 1.02 H new ATOM 0 HE21 GLN A 67 15.477 16.067 9.051 1.00 2.34 H new ATOM 0 HE22 GLN A 67 16.357 16.839 7.728 1.00 2.34 H new ATOM 1068 N ASP A 68 13.050 14.116 10.290 1.00 1.04 N ATOM 1069 CA ASP A 68 12.870 13.961 11.712 1.00 1.12 C ATOM 1070 C ASP A 68 11.389 13.845 12.071 1.00 1.18 C ATOM 1071 O ASP A 68 11.045 13.286 13.111 1.00 1.36 O ATOM 1072 CB ASP A 68 13.509 15.176 12.415 1.00 1.20 C ATOM 1073 CG ASP A 68 14.867 15.584 11.842 1.00 2.86 C ATOM 1074 OD1 ASP A 68 14.878 15.976 10.647 1.00 4.21 O ATOM 1075 OD2 ASP A 68 15.861 15.486 12.589 1.00 3.87 O ATOM 0 H ASP A 68 13.492 15.006 10.061 1.00 1.04 H new ATOM 0 HA ASP A 68 13.352 13.042 12.044 1.00 1.12 H new ATOM 0 HB2 ASP A 68 12.827 16.023 12.344 1.00 1.20 H new ATOM 0 HB3 ASP A 68 13.627 14.949 13.475 1.00 1.20 H new ATOM 1080 N SER A 69 10.505 14.382 11.221 1.00 1.12 N ATOM 1081 CA SER A 69 9.067 14.232 11.384 1.00 1.24 C ATOM 1082 C SER A 69 8.688 12.759 11.520 1.00 1.33 C ATOM 1083 O SER A 69 9.406 11.888 11.028 1.00 2.43 O ATOM 1084 CB SER A 69 8.342 14.836 10.176 1.00 1.33 C ATOM 1085 OG SER A 69 8.816 16.140 9.906 1.00 2.36 O ATOM 0 H SER A 69 10.773 14.931 10.404 1.00 1.12 H new ATOM 0 HA SER A 69 8.768 14.755 12.292 1.00 1.24 H new ATOM 0 HB2 SER A 69 8.491 14.202 9.302 1.00 1.33 H new ATOM 0 HB3 SER A 69 7.269 14.867 10.368 1.00 1.33 H new ATOM 0 HG SER A 69 9.602 16.088 9.323 1.00 2.36 H new ATOM 1091 N GLU A 70 7.532 12.501 12.139 1.00 0.91 N ATOM 1092 CA GLU A 70 6.872 11.207 12.033 1.00 0.93 C ATOM 1093 C GLU A 70 5.939 11.265 10.827 1.00 1.12 C ATOM 1094 O GLU A 70 5.274 12.279 10.617 1.00 1.49 O ATOM 1095 CB GLU A 70 6.131 10.803 13.322 1.00 0.97 C ATOM 1096 CG GLU A 70 6.012 9.268 13.343 1.00 2.28 C ATOM 1097 CD GLU A 70 5.113 8.697 14.431 1.00 2.95 C ATOM 1098 OE1 GLU A 70 5.267 9.126 15.593 1.00 3.08 O ATOM 1099 OE2 GLU A 70 4.321 7.786 14.092 1.00 4.09 O ATOM 0 H GLU A 70 7.037 13.178 12.720 1.00 0.91 H new ATOM 0 HA GLU A 70 7.622 10.428 11.893 1.00 0.93 H new ATOM 0 HB2 GLU A 70 6.674 11.155 14.199 1.00 0.97 H new ATOM 0 HB3 GLU A 70 5.143 11.262 13.353 1.00 0.97 H new ATOM 0 HG2 GLU A 70 5.637 8.936 12.375 1.00 2.28 H new ATOM 0 HG3 GLU A 70 7.010 8.845 13.461 1.00 2.28 H new ATOM 1106 N LEU A 71 5.909 10.197 10.030 1.00 1.24 N ATOM 1107 CA LEU A 71 4.922 10.032 8.968 1.00 1.47 C ATOM 1108 C LEU A 71 3.667 9.360 9.538 1.00 1.45 C ATOM 1109 O LEU A 71 3.580 9.119 10.736 1.00 1.62 O ATOM 1110 CB LEU A 71 5.527 9.330 7.742 1.00 1.92 C ATOM 1111 CG LEU A 71 6.232 8.007 8.043 1.00 1.03 C ATOM 1112 CD1 LEU A 71 5.862 6.963 6.991 1.00 1.83 C ATOM 1113 CD2 LEU A 71 7.744 8.212 7.999 1.00 2.21 C ATOM 0 H LEU A 71 6.569 9.423 10.104 1.00 1.24 H new ATOM 0 HA LEU A 71 4.609 11.006 8.592 1.00 1.47 H new ATOM 0 HB2 LEU A 71 4.733 9.146 7.018 1.00 1.92 H new ATOM 0 HB3 LEU A 71 6.240 10.006 7.269 1.00 1.92 H new ATOM 0 HG LEU A 71 5.922 7.666 9.031 1.00 1.03 H new ATOM 0 HD11 LEU A 71 6.370 6.025 7.215 1.00 1.83 H new ATOM 0 HD12 LEU A 71 4.784 6.803 7.000 1.00 1.83 H new ATOM 0 HD13 LEU A 71 6.168 7.315 6.006 1.00 1.83 H new ATOM 0 HD21 LEU A 71 8.246 7.268 8.214 1.00 2.21 H new ATOM 0 HD22 LEU A 71 8.035 8.560 7.008 1.00 2.21 H new ATOM 0 HD23 LEU A 71 8.032 8.954 8.744 1.00 2.21 H new ATOM 1125 N LYS A 72 2.650 9.128 8.705 1.00 1.35 N ATOM 1126 CA LYS A 72 1.468 8.345 9.040 1.00 1.26 C ATOM 1127 C LYS A 72 1.251 7.248 7.991 1.00 1.00 C ATOM 1128 O LYS A 72 1.911 7.253 6.948 1.00 0.85 O ATOM 1129 CB LYS A 72 0.251 9.273 9.146 1.00 1.42 C ATOM 1130 CG LYS A 72 0.467 10.308 10.263 1.00 1.60 C ATOM 1131 CD LYS A 72 -0.832 11.009 10.687 1.00 2.53 C ATOM 1132 CE LYS A 72 -1.510 10.311 11.877 1.00 3.89 C ATOM 1133 NZ LYS A 72 -1.844 8.903 11.596 1.00 5.73 N ATOM 0 H LYS A 72 2.630 9.492 7.752 1.00 1.35 H new ATOM 0 HA LYS A 72 1.609 7.858 10.005 1.00 1.26 H new ATOM 0 HB2 LYS A 72 0.089 9.782 8.196 1.00 1.42 H new ATOM 0 HB3 LYS A 72 -0.645 8.687 9.351 1.00 1.42 H new ATOM 0 HG2 LYS A 72 0.907 9.814 11.129 1.00 1.60 H new ATOM 0 HG3 LYS A 72 1.184 11.056 9.925 1.00 1.60 H new ATOM 0 HD2 LYS A 72 -0.614 12.044 10.952 1.00 2.53 H new ATOM 0 HD3 LYS A 72 -1.521 11.034 9.843 1.00 2.53 H new ATOM 0 HE2 LYS A 72 -0.851 10.358 12.744 1.00 3.89 H new ATOM 0 HE3 LYS A 72 -2.420 10.851 12.139 1.00 3.89 H new ATOM 0 HZ1 LYS A 72 -2.124 8.430 12.479 1.00 5.73 H new ATOM 0 HZ2 LYS A 72 -2.630 8.862 10.917 1.00 5.73 H new ATOM 0 HZ3 LYS A 72 -1.014 8.423 11.194 1.00 5.73 H new ATOM 1147 N PHE A 73 0.329 6.313 8.266 1.00 1.02 N ATOM 1148 CA PHE A 73 0.037 5.160 7.410 1.00 0.89 C ATOM 1149 C PHE A 73 -0.006 5.536 5.928 1.00 0.78 C ATOM 1150 O PHE A 73 0.689 4.936 5.116 1.00 0.67 O ATOM 1151 CB PHE A 73 -1.290 4.488 7.808 1.00 1.18 C ATOM 1152 CG PHE A 73 -1.404 4.105 9.270 1.00 1.07 C ATOM 1153 CD1 PHE A 73 -0.561 3.111 9.795 1.00 2.85 C ATOM 1154 CD2 PHE A 73 -2.262 4.821 10.127 1.00 1.85 C ATOM 1155 CE1 PHE A 73 -0.500 2.902 11.181 1.00 4.28 C ATOM 1156 CE2 PHE A 73 -2.197 4.616 11.516 1.00 3.01 C ATOM 1157 CZ PHE A 73 -1.278 3.694 12.045 1.00 4.14 C ATOM 0 H PHE A 73 -0.245 6.341 9.109 1.00 1.02 H new ATOM 0 HA PHE A 73 0.854 4.454 7.559 1.00 0.89 H new ATOM 0 HB2 PHE A 73 -2.109 5.163 7.560 1.00 1.18 H new ATOM 0 HB3 PHE A 73 -1.421 3.591 7.202 1.00 1.18 H new ATOM 0 HD1 PHE A 73 0.040 2.508 9.131 1.00 2.85 H new ATOM 0 HD2 PHE A 73 -2.969 5.527 9.717 1.00 1.85 H new ATOM 0 HE1 PHE A 73 0.143 2.134 11.584 1.00 4.28 H new ATOM 0 HE2 PHE A 73 -2.852 5.166 12.175 1.00 3.01 H new ATOM 0 HZ PHE A 73 -1.169 3.593 13.115 1.00 4.14 H new ATOM 1167 N ASN A 74 -0.828 6.527 5.573 1.00 1.01 N ATOM 1168 CA ASN A 74 -1.027 6.952 4.190 1.00 1.14 C ATOM 1169 C ASN A 74 0.252 7.512 3.569 1.00 0.97 C ATOM 1170 O ASN A 74 0.496 7.329 2.375 1.00 1.02 O ATOM 1171 CB ASN A 74 -2.140 7.997 4.121 1.00 1.49 C ATOM 1172 CG ASN A 74 -1.769 9.266 4.881 1.00 1.66 C ATOM 1173 OD1 ASN A 74 -1.676 9.238 6.105 1.00 2.32 O ATOM 1174 ND2 ASN A 74 -1.556 10.379 4.183 1.00 2.88 N ATOM 0 H ASN A 74 -1.378 7.060 6.246 1.00 1.01 H new ATOM 0 HA ASN A 74 -1.311 6.071 3.615 1.00 1.14 H new ATOM 0 HB2 ASN A 74 -2.344 8.243 3.079 1.00 1.49 H new ATOM 0 HB3 ASN A 74 -3.058 7.580 4.535 1.00 1.49 H new ATOM 0 HD21 ASN A 74 -1.307 11.243 4.664 1.00 2.88 H new ATOM 0 HD22 ASN A 74 -1.642 10.368 3.167 1.00 2.88 H new ATOM 1181 N GLU A 75 1.055 8.218 4.371 1.00 0.83 N ATOM 1182 CA GLU A 75 2.278 8.831 3.895 1.00 0.72 C ATOM 1183 C GLU A 75 3.265 7.727 3.528 1.00 0.65 C ATOM 1184 O GLU A 75 3.778 7.738 2.406 1.00 0.67 O ATOM 1185 CB GLU A 75 2.861 9.772 4.952 1.00 0.76 C ATOM 1186 CG GLU A 75 2.024 11.048 5.135 1.00 1.45 C ATOM 1187 CD GLU A 75 2.640 12.297 4.510 1.00 2.36 C ATOM 1188 OE1 GLU A 75 3.482 12.141 3.595 1.00 3.42 O ATOM 1189 OE2 GLU A 75 2.238 13.396 4.936 1.00 3.42 O ATOM 0 H GLU A 75 0.868 8.374 5.362 1.00 0.83 H new ATOM 0 HA GLU A 75 2.070 9.435 3.012 1.00 0.72 H new ATOM 0 HB2 GLU A 75 2.927 9.246 5.904 1.00 0.76 H new ATOM 0 HB3 GLU A 75 3.877 10.046 4.668 1.00 0.76 H new ATOM 0 HG2 GLU A 75 1.037 10.887 4.700 1.00 1.45 H new ATOM 0 HG3 GLU A 75 1.878 11.223 6.201 1.00 1.45 H new ATOM 1196 N TYR A 76 3.484 6.783 4.459 1.00 0.64 N ATOM 1197 CA TYR A 76 4.199 5.529 4.203 1.00 0.63 C ATOM 1198 C TYR A 76 3.679 4.929 2.904 1.00 0.60 C ATOM 1199 O TYR A 76 4.444 4.577 2.010 1.00 0.60 O ATOM 1200 CB TYR A 76 3.988 4.536 5.367 1.00 0.68 C ATOM 1201 CG TYR A 76 4.129 3.059 5.022 1.00 0.85 C ATOM 1202 CD1 TYR A 76 3.019 2.323 4.560 1.00 2.35 C ATOM 1203 CD2 TYR A 76 5.342 2.392 5.258 1.00 1.81 C ATOM 1204 CE1 TYR A 76 3.174 0.983 4.172 1.00 2.66 C ATOM 1205 CE2 TYR A 76 5.495 1.044 4.887 1.00 1.87 C ATOM 1206 CZ TYR A 76 4.410 0.341 4.332 1.00 1.56 C ATOM 1207 OH TYR A 76 4.556 -0.946 3.905 1.00 2.00 O ATOM 0 H TYR A 76 3.163 6.874 5.423 1.00 0.64 H new ATOM 0 HA TYR A 76 5.267 5.730 4.120 1.00 0.63 H new ATOM 0 HB2 TYR A 76 4.703 4.774 6.155 1.00 0.68 H new ATOM 0 HB3 TYR A 76 2.992 4.698 5.780 1.00 0.68 H new ATOM 0 HD1 TYR A 76 2.047 2.791 4.504 1.00 2.35 H new ATOM 0 HD2 TYR A 76 6.161 2.917 5.727 1.00 1.81 H new ATOM 0 HE1 TYR A 76 2.339 0.445 3.749 1.00 2.66 H new ATOM 0 HE2 TYR A 76 6.444 0.549 5.028 1.00 1.87 H new ATOM 0 HH TYR A 76 5.509 -1.170 3.861 1.00 2.00 H new ATOM 1217 N TRP A 77 2.356 4.807 2.825 1.00 0.58 N ATOM 1218 CA TRP A 77 1.691 4.123 1.744 1.00 0.54 C ATOM 1219 C TRP A 77 2.141 4.640 0.384 1.00 0.58 C ATOM 1220 O TRP A 77 2.847 3.936 -0.337 1.00 0.59 O ATOM 1221 CB TRP A 77 0.184 4.245 1.927 1.00 0.54 C ATOM 1222 CG TRP A 77 -0.505 3.025 1.506 1.00 0.55 C ATOM 1223 CD1 TRP A 77 -0.793 2.733 0.230 1.00 0.57 C ATOM 1224 CD2 TRP A 77 -1.044 1.960 2.327 1.00 0.54 C ATOM 1225 NE1 TRP A 77 -1.422 1.516 0.192 1.00 0.56 N ATOM 1226 CE2 TRP A 77 -1.654 1.020 1.459 1.00 0.55 C ATOM 1227 CE3 TRP A 77 -1.145 1.727 3.715 1.00 0.54 C ATOM 1228 CZ2 TRP A 77 -2.344 -0.094 1.944 1.00 0.57 C ATOM 1229 CZ3 TRP A 77 -1.830 0.598 4.198 1.00 0.56 C ATOM 1230 CH2 TRP A 77 -2.395 -0.329 3.323 1.00 0.58 C ATOM 0 H TRP A 77 1.718 5.188 3.523 1.00 0.58 H new ATOM 0 HA TRP A 77 1.966 3.069 1.771 1.00 0.54 H new ATOM 0 HB2 TRP A 77 -0.042 4.449 2.974 1.00 0.54 H new ATOM 0 HB3 TRP A 77 -0.187 5.092 1.350 1.00 0.54 H new ATOM 0 HD1 TRP A 77 -0.567 3.353 -0.625 1.00 0.57 H new ATOM 0 HE1 TRP A 77 -1.686 1.035 -0.668 1.00 0.56 H new ATOM 0 HE3 TRP A 77 -0.694 2.420 4.410 1.00 0.54 H new ATOM 0 HZ2 TRP A 77 -2.835 -0.770 1.259 1.00 0.57 H new ATOM 0 HZ3 TRP A 77 -1.920 0.446 5.264 1.00 0.56 H new ATOM 0 HH2 TRP A 77 -2.868 -1.221 3.706 1.00 0.58 H new ATOM 1241 N ARG A 78 1.757 5.869 0.025 1.00 0.64 N ATOM 1242 CA ARG A 78 2.210 6.470 -1.220 1.00 0.76 C ATOM 1243 C ARG A 78 3.742 6.381 -1.357 1.00 0.64 C ATOM 1244 O ARG A 78 4.233 6.226 -2.467 1.00 0.67 O ATOM 1245 CB ARG A 78 1.651 7.893 -1.361 1.00 1.05 C ATOM 1246 CG ARG A 78 2.221 8.969 -0.435 1.00 1.44 C ATOM 1247 CD ARG A 78 3.605 9.443 -0.902 1.00 3.10 C ATOM 1248 NE ARG A 78 3.890 10.831 -0.514 1.00 3.24 N ATOM 1249 CZ ARG A 78 3.955 11.257 0.755 1.00 3.65 C ATOM 1250 NH1 ARG A 78 3.952 10.385 1.761 1.00 4.71 N ATOM 1251 NH2 ARG A 78 3.995 12.554 1.061 1.00 3.96 N ATOM 0 H ARG A 78 1.137 6.459 0.580 1.00 0.64 H new ATOM 0 HA ARG A 78 1.813 5.902 -2.061 1.00 0.76 H new ATOM 0 HB2 ARG A 78 1.809 8.216 -2.390 1.00 1.05 H new ATOM 0 HB3 ARG A 78 0.573 7.849 -1.202 1.00 1.05 H new ATOM 0 HG2 ARG A 78 1.538 9.818 -0.399 1.00 1.44 H new ATOM 0 HG3 ARG A 78 2.294 8.576 0.579 1.00 1.44 H new ATOM 0 HD2 ARG A 78 4.369 8.789 -0.482 1.00 3.10 H new ATOM 0 HD3 ARG A 78 3.668 9.353 -1.986 1.00 3.10 H new ATOM 0 HE ARG A 78 4.048 11.513 -1.256 1.00 3.24 H new ATOM 0 HH11 ARG A 78 3.900 9.385 1.569 1.00 4.71 H new ATOM 0 HH12 ARG A 78 4.002 10.717 2.724 1.00 4.71 H new ATOM 0 HH21 ARG A 78 3.976 13.254 0.319 1.00 3.96 H new ATOM 0 HH22 ARG A 78 4.044 12.846 2.037 1.00 3.96 H new ATOM 1265 N LEU A 79 4.504 6.424 -0.253 1.00 0.61 N ATOM 1266 CA LEU A 79 5.967 6.321 -0.283 1.00 0.52 C ATOM 1267 C LEU A 79 6.407 4.964 -0.848 1.00 0.55 C ATOM 1268 O LEU A 79 7.350 4.880 -1.645 1.00 0.58 O ATOM 1269 CB LEU A 79 6.559 6.519 1.130 1.00 0.57 C ATOM 1270 CG LEU A 79 7.523 7.683 1.399 1.00 0.93 C ATOM 1271 CD1 LEU A 79 7.121 9.021 0.773 1.00 1.41 C ATOM 1272 CD2 LEU A 79 7.612 7.898 2.917 1.00 0.94 C ATOM 0 H LEU A 79 4.120 6.531 0.686 1.00 0.61 H new ATOM 0 HA LEU A 79 6.343 7.110 -0.935 1.00 0.52 H new ATOM 0 HB2 LEU A 79 5.722 6.624 1.821 1.00 0.57 H new ATOM 0 HB3 LEU A 79 7.079 5.599 1.396 1.00 0.57 H new ATOM 0 HG LEU A 79 8.468 7.393 0.940 1.00 0.93 H new ATOM 0 HD11 LEU A 79 7.866 9.777 1.021 1.00 1.41 H new ATOM 0 HD12 LEU A 79 7.061 8.913 -0.310 1.00 1.41 H new ATOM 0 HD13 LEU A 79 6.150 9.327 1.161 1.00 1.41 H new ATOM 0 HD21 LEU A 79 8.293 8.722 3.128 1.00 0.94 H new ATOM 0 HD22 LEU A 79 6.623 8.135 3.310 1.00 0.94 H new ATOM 0 HD23 LEU A 79 7.983 6.990 3.392 1.00 0.94 H new ATOM 1284 N ILE A 80 5.762 3.873 -0.423 1.00 0.61 N ATOM 1285 CA ILE A 80 6.076 2.575 -1.012 1.00 0.64 C ATOM 1286 C ILE A 80 5.423 2.468 -2.402 1.00 0.61 C ATOM 1287 O ILE A 80 5.950 1.784 -3.272 1.00 0.64 O ATOM 1288 CB ILE A 80 5.807 1.369 -0.079 1.00 0.66 C ATOM 1289 CG1 ILE A 80 4.404 0.814 -0.345 1.00 0.93 C ATOM 1290 CG2 ILE A 80 5.924 1.720 1.399 1.00 0.59 C ATOM 1291 CD1 ILE A 80 3.885 -0.333 0.522 1.00 0.62 C ATOM 0 H ILE A 80 5.044 3.862 0.302 1.00 0.61 H new ATOM 0 HA ILE A 80 7.156 2.521 -1.149 1.00 0.64 H new ATOM 0 HB ILE A 80 6.572 0.625 -0.302 1.00 0.66 H new ATOM 0 HG12 ILE A 80 3.700 1.641 -0.253 1.00 0.93 H new ATOM 0 HG13 ILE A 80 4.372 0.483 -1.383 1.00 0.93 H new ATOM 0 HG21 ILE A 80 5.724 0.833 2.000 1.00 0.59 H new ATOM 0 HG22 ILE A 80 6.931 2.081 1.609 1.00 0.59 H new ATOM 0 HG23 ILE A 80 5.201 2.497 1.647 1.00 0.59 H new ATOM 0 HD11 ILE A 80 2.879 -0.605 0.202 1.00 0.62 H new ATOM 0 HD12 ILE A 80 4.544 -1.195 0.418 1.00 0.62 H new ATOM 0 HD13 ILE A 80 3.861 -0.018 1.565 1.00 0.62 H new ATOM 1303 N GLY A 81 4.312 3.171 -2.646 1.00 0.59 N ATOM 1304 CA GLY A 81 3.796 3.404 -3.996 1.00 0.61 C ATOM 1305 C GLY A 81 4.923 3.881 -4.907 1.00 0.58 C ATOM 1306 O GLY A 81 5.195 3.304 -5.959 1.00 0.66 O ATOM 0 H GLY A 81 3.746 3.594 -1.911 1.00 0.59 H new ATOM 0 HA2 GLY A 81 3.360 2.487 -4.392 1.00 0.61 H new ATOM 0 HA3 GLY A 81 3.000 4.148 -3.967 1.00 0.61 H new ATOM 1310 N GLU A 82 5.632 4.908 -4.448 1.00 0.50 N ATOM 1311 CA GLU A 82 6.803 5.433 -5.105 1.00 0.50 C ATOM 1312 C GLU A 82 7.896 4.364 -5.195 1.00 0.51 C ATOM 1313 O GLU A 82 8.538 4.241 -6.230 1.00 0.71 O ATOM 1314 CB GLU A 82 7.228 6.726 -4.407 1.00 0.46 C ATOM 1315 CG GLU A 82 6.219 7.860 -4.671 1.00 0.71 C ATOM 1316 CD GLU A 82 6.292 8.974 -3.630 1.00 1.52 C ATOM 1317 OE1 GLU A 82 7.263 8.962 -2.843 1.00 2.67 O ATOM 1318 OE2 GLU A 82 5.356 9.801 -3.615 1.00 2.44 O ATOM 0 H GLU A 82 5.395 5.403 -3.588 1.00 0.50 H new ATOM 0 HA GLU A 82 6.585 5.696 -6.140 1.00 0.50 H new ATOM 0 HB2 GLU A 82 7.311 6.553 -3.334 1.00 0.46 H new ATOM 0 HB3 GLU A 82 8.215 7.025 -4.759 1.00 0.46 H new ATOM 0 HG2 GLU A 82 6.403 8.281 -5.660 1.00 0.71 H new ATOM 0 HG3 GLU A 82 5.210 7.447 -4.683 1.00 0.71 H new ATOM 1325 N LEU A 83 8.065 3.517 -4.175 1.00 0.45 N ATOM 1326 CA LEU A 83 8.969 2.377 -4.256 1.00 0.50 C ATOM 1327 C LEU A 83 8.586 1.482 -5.442 1.00 0.57 C ATOM 1328 O LEU A 83 9.444 1.121 -6.246 1.00 0.61 O ATOM 1329 CB LEU A 83 9.051 1.681 -2.889 1.00 0.61 C ATOM 1330 CG LEU A 83 10.311 0.842 -2.653 1.00 1.19 C ATOM 1331 CD1 LEU A 83 10.419 0.551 -1.150 1.00 2.33 C ATOM 1332 CD2 LEU A 83 10.216 -0.470 -3.430 1.00 3.16 C ATOM 0 H LEU A 83 7.582 3.605 -3.281 1.00 0.45 H new ATOM 0 HA LEU A 83 9.989 2.694 -4.472 1.00 0.50 H new ATOM 0 HB2 LEU A 83 8.989 2.440 -2.109 1.00 0.61 H new ATOM 0 HB3 LEU A 83 8.179 1.036 -2.776 1.00 0.61 H new ATOM 0 HG LEU A 83 11.192 1.384 -2.996 1.00 1.19 H new ATOM 0 HD11 LEU A 83 11.310 -0.046 -0.958 1.00 2.33 H new ATOM 0 HD12 LEU A 83 10.487 1.490 -0.601 1.00 2.33 H new ATOM 0 HD13 LEU A 83 9.537 0.002 -0.821 1.00 2.33 H new ATOM 0 HD21 LEU A 83 11.115 -1.061 -3.257 1.00 3.16 H new ATOM 0 HD22 LEU A 83 9.344 -1.030 -3.093 1.00 3.16 H new ATOM 0 HD23 LEU A 83 10.121 -0.256 -4.495 1.00 3.16 H new ATOM 1344 N ALA A 84 7.296 1.184 -5.630 1.00 0.71 N ATOM 1345 CA ALA A 84 6.843 0.489 -6.827 1.00 0.94 C ATOM 1346 C ALA A 84 7.197 1.227 -8.133 1.00 1.01 C ATOM 1347 O ALA A 84 7.287 0.563 -9.168 1.00 1.23 O ATOM 1348 CB ALA A 84 5.349 0.162 -6.734 1.00 1.00 C ATOM 0 H ALA A 84 6.554 1.414 -4.969 1.00 0.71 H new ATOM 0 HA ALA A 84 7.393 -0.451 -6.872 1.00 0.94 H new ATOM 0 HB1 ALA A 84 5.033 -0.357 -7.639 1.00 1.00 H new ATOM 0 HB2 ALA A 84 5.169 -0.476 -5.869 1.00 1.00 H new ATOM 0 HB3 ALA A 84 4.780 1.086 -6.628 1.00 1.00 H new ATOM 1354 N LYS A 85 7.398 2.558 -8.113 1.00 1.00 N ATOM 1355 CA LYS A 85 7.957 3.306 -9.242 1.00 1.25 C ATOM 1356 C LYS A 85 9.467 3.048 -9.339 1.00 1.10 C ATOM 1357 O LYS A 85 9.954 2.710 -10.417 1.00 1.23 O ATOM 1358 CB LYS A 85 7.722 4.831 -9.156 1.00 1.66 C ATOM 1359 CG LYS A 85 6.290 5.308 -8.864 1.00 1.47 C ATOM 1360 CD LYS A 85 6.298 6.792 -8.431 1.00 2.05 C ATOM 1361 CE LYS A 85 6.373 7.791 -9.593 1.00 2.15 C ATOM 1362 NZ LYS A 85 6.917 9.104 -9.175 1.00 3.00 N ATOM 0 H LYS A 85 7.174 3.142 -7.307 1.00 1.00 H new ATOM 0 HA LYS A 85 7.434 2.948 -10.129 1.00 1.25 H new ATOM 0 HB2 LYS A 85 8.375 5.230 -8.380 1.00 1.66 H new ATOM 0 HB3 LYS A 85 8.040 5.275 -10.099 1.00 1.66 H new ATOM 0 HG2 LYS A 85 5.670 5.184 -9.752 1.00 1.47 H new ATOM 0 HG3 LYS A 85 5.848 4.695 -8.078 1.00 1.47 H new ATOM 0 HD2 LYS A 85 5.397 6.994 -7.852 1.00 2.05 H new ATOM 0 HD3 LYS A 85 7.147 6.960 -7.768 1.00 2.05 H new ATOM 0 HE2 LYS A 85 6.998 7.377 -10.384 1.00 2.15 H new ATOM 0 HE3 LYS A 85 5.377 7.931 -10.013 1.00 2.15 H new ATOM 0 HZ1 LYS A 85 6.702 9.816 -9.902 1.00 3.00 H new ATOM 0 HZ2 LYS A 85 6.484 9.388 -8.273 1.00 3.00 H new ATOM 0 HZ3 LYS A 85 7.948 9.031 -9.057 1.00 3.00 H new ATOM 1376 N GLU A 86 10.221 3.244 -8.247 1.00 0.95 N ATOM 1377 CA GLU A 86 11.656 2.965 -8.172 1.00 0.92 C ATOM 1378 C GLU A 86 11.919 1.564 -8.732 1.00 0.77 C ATOM 1379 O GLU A 86 12.426 1.413 -9.845 1.00 0.87 O ATOM 1380 CB GLU A 86 12.151 3.088 -6.716 1.00 0.96 C ATOM 1381 CG GLU A 86 12.271 4.547 -6.239 1.00 1.22 C ATOM 1382 CD GLU A 86 11.587 4.808 -4.899 1.00 1.30 C ATOM 1383 OE1 GLU A 86 11.895 4.123 -3.897 1.00 2.38 O ATOM 1384 OE2 GLU A 86 10.696 5.683 -4.847 1.00 1.69 O ATOM 0 H GLU A 86 9.838 3.609 -7.375 1.00 0.95 H new ATOM 0 HA GLU A 86 12.207 3.693 -8.767 1.00 0.92 H new ATOM 0 HB2 GLU A 86 11.465 2.553 -6.059 1.00 0.96 H new ATOM 0 HB3 GLU A 86 13.123 2.602 -6.627 1.00 0.96 H new ATOM 0 HG2 GLU A 86 13.326 4.808 -6.156 1.00 1.22 H new ATOM 0 HG3 GLU A 86 11.838 5.204 -6.993 1.00 1.22 H new ATOM 1391 N ILE A 87 11.529 0.530 -7.990 1.00 0.62 N ATOM 1392 CA ILE A 87 11.662 -0.844 -8.436 1.00 0.69 C ATOM 1393 C ILE A 87 10.473 -1.134 -9.350 1.00 0.83 C ATOM 1394 O ILE A 87 9.367 -1.403 -8.885 1.00 1.13 O ATOM 1395 CB ILE A 87 11.751 -1.794 -7.219 1.00 0.95 C ATOM 1396 CG1 ILE A 87 13.219 -1.885 -6.781 1.00 1.48 C ATOM 1397 CG2 ILE A 87 11.201 -3.215 -7.439 1.00 2.11 C ATOM 1398 CD1 ILE A 87 14.033 -2.836 -7.672 1.00 1.41 C ATOM 0 H ILE A 87 11.113 0.627 -7.064 1.00 0.62 H new ATOM 0 HA ILE A 87 12.582 -1.006 -8.998 1.00 0.69 H new ATOM 0 HB ILE A 87 11.108 -1.357 -6.454 1.00 0.95 H new ATOM 0 HG12 ILE A 87 13.667 -0.892 -6.809 1.00 1.48 H new ATOM 0 HG13 ILE A 87 13.267 -2.228 -5.747 1.00 1.48 H new ATOM 0 HG21 ILE A 87 11.314 -3.795 -6.523 1.00 2.11 H new ATOM 0 HG22 ILE A 87 10.146 -3.159 -7.706 1.00 2.11 H new ATOM 0 HG23 ILE A 87 11.754 -3.699 -8.244 1.00 2.11 H new ATOM 0 HD11 ILE A 87 15.065 -2.867 -7.323 1.00 1.41 H new ATOM 0 HD12 ILE A 87 13.603 -3.837 -7.624 1.00 1.41 H new ATOM 0 HD13 ILE A 87 14.009 -2.480 -8.702 1.00 1.41 H new ATOM 1410 N ARG A 88 10.705 -1.096 -10.663 1.00 0.89 N ATOM 1411 CA ARG A 88 9.872 -1.775 -11.643 1.00 0.97 C ATOM 1412 C ARG A 88 10.333 -3.234 -11.697 1.00 0.98 C ATOM 1413 O ARG A 88 11.525 -3.513 -11.603 1.00 1.53 O ATOM 1414 CB ARG A 88 9.980 -1.066 -13.001 1.00 1.17 C ATOM 1415 CG ARG A 88 8.886 0.006 -13.148 1.00 1.76 C ATOM 1416 CD ARG A 88 9.390 1.239 -13.909 1.00 2.15 C ATOM 1417 NE ARG A 88 10.152 2.109 -13.002 1.00 3.62 N ATOM 1418 CZ ARG A 88 10.784 3.248 -13.318 1.00 4.79 C ATOM 1419 NH1 ARG A 88 10.870 3.645 -14.591 1.00 4.44 N ATOM 1420 NH2 ARG A 88 11.311 3.977 -12.330 1.00 6.64 N ATOM 0 H ARG A 88 11.486 -0.586 -11.075 1.00 0.89 H new ATOM 0 HA ARG A 88 8.817 -1.748 -11.369 1.00 0.97 H new ATOM 0 HB2 ARG A 88 10.963 -0.604 -13.098 1.00 1.17 H new ATOM 0 HB3 ARG A 88 9.890 -1.796 -13.805 1.00 1.17 H new ATOM 0 HG2 ARG A 88 8.030 -0.419 -13.672 1.00 1.76 H new ATOM 0 HG3 ARG A 88 8.538 0.307 -12.160 1.00 1.76 H new ATOM 0 HD2 ARG A 88 10.019 0.930 -14.744 1.00 2.15 H new ATOM 0 HD3 ARG A 88 8.547 1.787 -14.330 1.00 2.15 H new ATOM 0 HE ARG A 88 10.206 1.814 -12.027 1.00 3.62 H new ATOM 0 HH11 ARG A 88 10.453 3.080 -15.331 1.00 4.44 H new ATOM 0 HH12 ARG A 88 11.353 4.513 -14.823 1.00 4.44 H new ATOM 0 HH21 ARG A 88 11.227 3.662 -11.363 1.00 6.64 H new ATOM 0 HH22 ARG A 88 11.797 4.848 -12.542 1.00 6.64 H new ATOM 1434 N LYS A 89 9.377 -4.163 -11.791 1.00 1.59 N ATOM 1435 CA LYS A 89 9.620 -5.590 -11.599 1.00 1.49 C ATOM 1436 C LYS A 89 10.370 -6.199 -12.789 1.00 1.88 C ATOM 1437 O LYS A 89 10.979 -7.257 -12.654 1.00 3.13 O ATOM 1438 CB LYS A 89 8.290 -6.352 -11.435 1.00 2.55 C ATOM 1439 CG LYS A 89 7.422 -6.065 -10.197 1.00 2.57 C ATOM 1440 CD LYS A 89 6.743 -4.682 -10.128 1.00 3.06 C ATOM 1441 CE LYS A 89 7.483 -3.733 -9.171 1.00 3.26 C ATOM 1442 NZ LYS A 89 6.950 -2.349 -9.186 1.00 4.80 N ATOM 0 H LYS A 89 8.405 -3.940 -12.005 1.00 1.59 H new ATOM 0 HA LYS A 89 10.227 -5.686 -10.699 1.00 1.49 H new ATOM 0 HB2 LYS A 89 7.683 -6.151 -12.318 1.00 2.55 H new ATOM 0 HB3 LYS A 89 8.517 -7.418 -11.440 1.00 2.55 H new ATOM 0 HG2 LYS A 89 6.645 -6.828 -10.143 1.00 2.57 H new ATOM 0 HG3 LYS A 89 8.046 -6.182 -9.311 1.00 2.57 H new ATOM 0 HD2 LYS A 89 6.711 -4.242 -11.125 1.00 3.06 H new ATOM 0 HD3 LYS A 89 5.711 -4.799 -9.798 1.00 3.06 H new ATOM 0 HE2 LYS A 89 7.419 -4.128 -8.157 1.00 3.26 H new ATOM 0 HE3 LYS A 89 8.540 -3.711 -9.438 1.00 3.26 H new ATOM 0 HZ1 LYS A 89 7.733 -1.674 -9.070 1.00 4.80 H new ATOM 0 HZ2 LYS A 89 6.471 -2.171 -10.092 1.00 4.80 H new ATOM 0 HZ3 LYS A 89 6.271 -2.230 -8.407 1.00 4.80 H new ATOM 1456 N LYS A 90 10.214 -5.599 -13.976 1.00 2.66 N ATOM 1457 CA LYS A 90 10.443 -6.217 -15.278 1.00 3.09 C ATOM 1458 C LYS A 90 9.454 -7.364 -15.507 1.00 3.01 C ATOM 1459 O LYS A 90 8.687 -7.308 -16.465 1.00 3.81 O ATOM 1460 CB LYS A 90 11.911 -6.619 -15.516 1.00 3.49 C ATOM 1461 CG LYS A 90 12.090 -7.205 -16.929 1.00 4.09 C ATOM 1462 CD LYS A 90 13.547 -7.589 -17.238 1.00 4.94 C ATOM 1463 CE LYS A 90 14.492 -6.397 -17.455 1.00 6.03 C ATOM 1464 NZ LYS A 90 14.129 -5.589 -18.639 1.00 6.88 N ATOM 0 H LYS A 90 9.912 -4.628 -14.053 1.00 2.66 H new ATOM 0 HA LYS A 90 10.249 -5.460 -16.038 1.00 3.09 H new ATOM 0 HB2 LYS A 90 12.556 -5.749 -15.393 1.00 3.49 H new ATOM 0 HB3 LYS A 90 12.218 -7.352 -14.771 1.00 3.49 H new ATOM 0 HG2 LYS A 90 11.457 -8.086 -17.034 1.00 4.09 H new ATOM 0 HG3 LYS A 90 11.748 -6.477 -17.665 1.00 4.09 H new ATOM 0 HD2 LYS A 90 13.931 -8.195 -16.417 1.00 4.94 H new ATOM 0 HD3 LYS A 90 13.562 -8.215 -18.130 1.00 4.94 H new ATOM 0 HE2 LYS A 90 14.479 -5.762 -16.569 1.00 6.03 H new ATOM 0 HE3 LYS A 90 15.512 -6.763 -17.569 1.00 6.03 H new ATOM 0 HZ1 LYS A 90 14.871 -4.883 -18.818 1.00 6.88 H new ATOM 0 HZ2 LYS A 90 14.035 -6.210 -19.468 1.00 6.88 H new ATOM 0 HZ3 LYS A 90 13.225 -5.105 -18.465 1.00 6.88 H new ATOM 1478 N LYS A 91 9.476 -8.398 -14.661 1.00 2.49 N ATOM 1479 CA LYS A 91 8.565 -9.523 -14.794 1.00 2.78 C ATOM 1480 C LYS A 91 8.264 -10.172 -13.433 1.00 2.76 C ATOM 1481 O LYS A 91 7.127 -10.087 -12.973 1.00 3.28 O ATOM 1482 CB LYS A 91 9.203 -10.505 -15.795 1.00 3.17 C ATOM 1483 CG LYS A 91 8.482 -11.854 -15.890 1.00 3.22 C ATOM 1484 CD LYS A 91 7.802 -12.141 -17.229 1.00 3.96 C ATOM 1485 CE LYS A 91 6.819 -13.315 -17.063 1.00 4.40 C ATOM 1486 NZ LYS A 91 7.406 -14.476 -16.352 1.00 4.84 N ATOM 0 H LYS A 91 10.121 -8.473 -13.875 1.00 2.49 H new ATOM 0 HA LYS A 91 7.595 -9.195 -15.169 1.00 2.78 H new ATOM 0 HB2 LYS A 91 9.219 -10.043 -16.782 1.00 3.17 H new ATOM 0 HB3 LYS A 91 10.240 -10.678 -15.508 1.00 3.17 H new ATOM 0 HG2 LYS A 91 9.203 -12.647 -15.690 1.00 3.22 H new ATOM 0 HG3 LYS A 91 7.730 -11.901 -15.102 1.00 3.22 H new ATOM 0 HD2 LYS A 91 7.272 -11.255 -17.577 1.00 3.96 H new ATOM 0 HD3 LYS A 91 8.550 -12.382 -17.985 1.00 3.96 H new ATOM 0 HE2 LYS A 91 5.941 -12.970 -16.517 1.00 4.40 H new ATOM 0 HE3 LYS A 91 6.477 -13.635 -18.047 1.00 4.40 H new ATOM 0 HZ1 LYS A 91 6.658 -15.166 -16.138 1.00 4.84 H new ATOM 0 HZ2 LYS A 91 8.128 -14.922 -16.953 1.00 4.84 H new ATOM 0 HZ3 LYS A 91 7.844 -14.155 -15.465 1.00 4.84 H new ATOM 1500 N ASP A 92 9.262 -10.779 -12.781 1.00 2.43 N ATOM 1501 CA ASP A 92 9.052 -11.734 -11.690 1.00 2.62 C ATOM 1502 C ASP A 92 10.016 -11.391 -10.554 1.00 2.16 C ATOM 1503 O ASP A 92 11.129 -11.900 -10.514 1.00 2.32 O ATOM 1504 CB ASP A 92 9.301 -13.182 -12.173 1.00 3.10 C ATOM 1505 CG ASP A 92 8.342 -13.698 -13.241 1.00 4.22 C ATOM 1506 OD1 ASP A 92 7.142 -13.364 -13.206 1.00 5.32 O ATOM 1507 OD2 ASP A 92 8.814 -14.396 -14.167 1.00 4.77 O ATOM 0 H ASP A 92 10.246 -10.619 -12.998 1.00 2.43 H new ATOM 0 HA ASP A 92 8.021 -11.668 -11.344 1.00 2.62 H new ATOM 0 HB2 ASP A 92 10.317 -13.246 -12.562 1.00 3.10 H new ATOM 0 HB3 ASP A 92 9.247 -13.847 -11.311 1.00 3.10 H new ATOM 1512 N LEU A 93 9.617 -10.499 -9.648 1.00 1.95 N ATOM 1513 CA LEU A 93 10.502 -9.950 -8.620 1.00 1.69 C ATOM 1514 C LEU A 93 10.794 -10.936 -7.472 1.00 1.54 C ATOM 1515 O LEU A 93 11.943 -11.337 -7.289 1.00 1.47 O ATOM 1516 CB LEU A 93 10.039 -8.528 -8.242 1.00 2.30 C ATOM 1517 CG LEU A 93 8.775 -8.374 -7.368 1.00 1.94 C ATOM 1518 CD1 LEU A 93 8.670 -6.931 -6.844 1.00 3.11 C ATOM 1519 CD2 LEU A 93 7.500 -8.852 -8.077 1.00 2.82 C ATOM 0 H LEU A 93 8.665 -10.135 -9.606 1.00 1.95 H new ATOM 0 HA LEU A 93 11.506 -9.819 -9.023 1.00 1.69 H new ATOM 0 HB2 LEU A 93 10.863 -8.038 -7.723 1.00 2.30 H new ATOM 0 HB3 LEU A 93 9.872 -7.977 -9.167 1.00 2.30 H new ATOM 0 HG LEU A 93 8.876 -9.034 -6.507 1.00 1.94 H new ATOM 0 HD11 LEU A 93 7.776 -6.832 -6.229 1.00 3.11 H new ATOM 0 HD12 LEU A 93 9.550 -6.696 -6.246 1.00 3.11 H new ATOM 0 HD13 LEU A 93 8.609 -6.242 -7.686 1.00 3.11 H new ATOM 0 HD21 LEU A 93 6.644 -8.720 -7.415 1.00 2.82 H new ATOM 0 HD22 LEU A 93 7.349 -8.270 -8.986 1.00 2.82 H new ATOM 0 HD23 LEU A 93 7.600 -9.906 -8.334 1.00 2.82 H new ATOM 1531 N LYS A 94 9.757 -11.423 -6.783 1.00 1.82 N ATOM 1532 CA LYS A 94 9.800 -12.526 -5.817 1.00 1.90 C ATOM 1533 C LYS A 94 10.710 -13.738 -6.062 1.00 1.78 C ATOM 1534 O LYS A 94 11.064 -14.456 -5.129 1.00 2.01 O ATOM 1535 CB LYS A 94 9.016 -12.410 -4.475 1.00 2.35 C ATOM 1536 CG LYS A 94 8.022 -13.580 -4.287 1.00 1.74 C ATOM 1537 CD LYS A 94 6.870 -13.315 -3.298 1.00 2.13 C ATOM 1538 CE LYS A 94 7.257 -12.697 -1.941 1.00 2.50 C ATOM 1539 NZ LYS A 94 6.079 -12.251 -1.156 1.00 3.14 N ATOM 0 H LYS A 94 8.818 -11.040 -6.889 1.00 1.82 H new ATOM 0 HA LYS A 94 9.005 -13.013 -6.382 1.00 1.90 H new ATOM 0 HB2 LYS A 94 9.720 -12.394 -3.643 1.00 2.35 H new ATOM 0 HB3 LYS A 94 8.473 -11.465 -4.452 1.00 2.35 H new ATOM 0 HG2 LYS A 94 7.595 -13.831 -5.258 1.00 1.74 H new ATOM 0 HG3 LYS A 94 8.576 -14.455 -3.947 1.00 1.74 H new ATOM 0 HD2 LYS A 94 6.151 -12.654 -3.781 1.00 2.13 H new ATOM 0 HD3 LYS A 94 6.358 -14.259 -3.109 1.00 2.13 H new ATOM 0 HE2 LYS A 94 7.819 -13.429 -1.361 1.00 2.50 H new ATOM 0 HE3 LYS A 94 7.919 -11.847 -2.109 1.00 2.50 H new ATOM 0 HZ1 LYS A 94 6.399 -11.813 -0.269 1.00 3.14 H new ATOM 0 HZ2 LYS A 94 5.536 -11.557 -1.709 1.00 3.14 H new ATOM 0 HZ3 LYS A 94 5.475 -13.070 -0.940 1.00 3.14 H new ATOM 1553 N ILE A 95 11.081 -13.978 -7.327 1.00 1.61 N ATOM 1554 CA ILE A 95 12.081 -14.956 -7.736 1.00 1.62 C ATOM 1555 C ILE A 95 13.441 -14.687 -7.075 1.00 1.60 C ATOM 1556 O ILE A 95 14.332 -15.536 -7.120 1.00 1.77 O ATOM 1557 CB ILE A 95 12.162 -14.968 -9.274 1.00 1.52 C ATOM 1558 CG1 ILE A 95 12.528 -16.366 -9.792 1.00 1.62 C ATOM 1559 CG2 ILE A 95 13.142 -13.910 -9.805 1.00 1.97 C ATOM 1560 CD1 ILE A 95 12.352 -16.448 -11.308 1.00 1.84 C ATOM 0 H ILE A 95 10.675 -13.475 -8.116 1.00 1.61 H new ATOM 0 HA ILE A 95 11.783 -15.948 -7.396 1.00 1.62 H new ATOM 0 HB ILE A 95 11.173 -14.710 -9.653 1.00 1.52 H new ATOM 0 HG12 ILE A 95 13.560 -16.597 -9.528 1.00 1.62 H new ATOM 0 HG13 ILE A 95 11.900 -17.114 -9.308 1.00 1.62 H new ATOM 0 HG21 ILE A 95 13.169 -13.953 -10.894 1.00 1.97 H new ATOM 0 HG22 ILE A 95 12.815 -12.920 -9.489 1.00 1.97 H new ATOM 0 HG23 ILE A 95 14.139 -14.106 -9.410 1.00 1.97 H new ATOM 0 HD11 ILE A 95 12.617 -17.448 -11.652 1.00 1.84 H new ATOM 0 HD12 ILE A 95 11.314 -16.240 -11.566 1.00 1.84 H new ATOM 0 HD13 ILE A 95 12.999 -15.715 -11.790 1.00 1.84 H new ATOM 1572 N ARG A 96 13.647 -13.466 -6.566 1.00 1.48 N ATOM 1573 CA ARG A 96 14.809 -12.971 -5.842 1.00 1.60 C ATOM 1574 C ARG A 96 15.898 -12.516 -6.805 1.00 1.82 C ATOM 1575 O ARG A 96 16.474 -11.437 -6.652 1.00 2.36 O ATOM 1576 CB ARG A 96 15.394 -13.970 -4.854 1.00 1.75 C ATOM 1577 CG ARG A 96 16.647 -13.445 -4.117 1.00 1.78 C ATOM 1578 CD ARG A 96 16.476 -12.074 -3.442 1.00 2.85 C ATOM 1579 NE ARG A 96 17.751 -11.384 -3.191 1.00 3.33 N ATOM 1580 CZ ARG A 96 17.982 -10.138 -3.638 1.00 4.52 C ATOM 1581 NH1 ARG A 96 17.427 -9.705 -4.774 1.00 5.29 N ATOM 1582 NH2 ARG A 96 18.741 -9.299 -2.931 1.00 5.55 N ATOM 0 H ARG A 96 12.937 -12.740 -6.663 1.00 1.48 H new ATOM 0 HA ARG A 96 14.444 -12.125 -5.260 1.00 1.60 H new ATOM 0 HB2 ARG A 96 14.632 -14.231 -4.119 1.00 1.75 H new ATOM 0 HB3 ARG A 96 15.652 -14.886 -5.385 1.00 1.75 H new ATOM 0 HG2 ARG A 96 16.936 -14.173 -3.359 1.00 1.78 H new ATOM 0 HG3 ARG A 96 17.470 -13.383 -4.829 1.00 1.78 H new ATOM 0 HD2 ARG A 96 15.848 -11.443 -4.071 1.00 2.85 H new ATOM 0 HD3 ARG A 96 15.950 -12.206 -2.496 1.00 2.85 H new ATOM 0 HE ARG A 96 18.480 -11.865 -2.663 1.00 3.33 H new ATOM 0 HH11 ARG A 96 16.820 -10.323 -5.313 1.00 5.29 H new ATOM 0 HH12 ARG A 96 17.610 -8.757 -5.102 1.00 5.29 H new ATOM 0 HH21 ARG A 96 19.149 -9.602 -2.047 1.00 5.55 H new ATOM 0 HH22 ARG A 96 18.913 -8.354 -3.275 1.00 5.55 H new ATOM 1681 N GLU B 4 11.592 -15.401 -0.707 1.00 2.11 N ATOM 1682 CA GLU B 4 13.030 -15.179 -0.697 1.00 1.83 C ATOM 1683 C GLU B 4 13.373 -14.375 0.570 1.00 1.74 C ATOM 1684 O GLU B 4 12.494 -14.231 1.414 1.00 2.30 O ATOM 1685 CB GLU B 4 13.335 -14.420 -1.994 1.00 1.71 C ATOM 1686 CG GLU B 4 12.593 -13.106 -2.320 1.00 2.01 C ATOM 1687 CD GLU B 4 13.400 -11.860 -1.989 1.00 2.48 C ATOM 1688 OE1 GLU B 4 13.855 -11.770 -0.833 1.00 3.72 O ATOM 1689 OE2 GLU B 4 13.606 -11.041 -2.908 1.00 2.84 O ATOM 0 HA GLU B 4 13.627 -16.090 -0.666 1.00 1.83 H new ATOM 0 HB2 GLU B 4 14.402 -14.197 -1.994 1.00 1.71 H new ATOM 0 HB3 GLU B 4 13.153 -15.107 -2.820 1.00 1.71 H new ATOM 0 HG2 GLU B 4 12.338 -13.094 -3.380 1.00 2.01 H new ATOM 0 HG3 GLU B 4 11.654 -13.080 -1.766 1.00 2.01 H new ATOM 1696 N PRO B 5 14.622 -14.003 0.884 1.00 1.67 N ATOM 1697 CA PRO B 5 14.911 -13.428 2.191 1.00 1.87 C ATOM 1698 C PRO B 5 14.384 -11.982 2.348 1.00 1.63 C ATOM 1699 O PRO B 5 15.085 -11.132 2.896 1.00 1.93 O ATOM 1700 CB PRO B 5 16.427 -13.593 2.355 1.00 2.57 C ATOM 1701 CG PRO B 5 16.976 -13.580 0.927 1.00 2.35 C ATOM 1702 CD PRO B 5 15.807 -14.024 0.045 1.00 1.89 C ATOM 0 HA PRO B 5 14.384 -13.935 2.999 1.00 1.87 H new ATOM 0 HB2 PRO B 5 16.851 -12.784 2.950 1.00 2.57 H new ATOM 0 HB3 PRO B 5 16.671 -14.525 2.865 1.00 2.57 H new ATOM 0 HG2 PRO B 5 17.325 -12.586 0.648 1.00 2.35 H new ATOM 0 HG3 PRO B 5 17.825 -14.256 0.825 1.00 2.35 H new ATOM 0 HD2 PRO B 5 15.690 -13.355 -0.808 1.00 1.89 H new ATOM 0 HD3 PRO B 5 15.981 -15.023 -0.355 1.00 1.89 H new ATOM 1710 N LEU B 6 13.132 -11.715 1.948 1.00 1.36 N ATOM 1711 CA LEU B 6 12.493 -10.409 2.001 1.00 1.39 C ATOM 1712 C LEU B 6 11.949 -10.089 3.389 1.00 1.34 C ATOM 1713 O LEU B 6 11.881 -10.963 4.251 1.00 1.57 O ATOM 1714 CB LEU B 6 11.392 -10.292 0.929 1.00 1.44 C ATOM 1715 CG LEU B 6 10.063 -11.082 0.999 1.00 1.40 C ATOM 1716 CD1 LEU B 6 10.231 -12.588 0.927 1.00 2.46 C ATOM 1717 CD2 LEU B 6 9.117 -10.763 2.160 1.00 2.64 C ATOM 0 H LEU B 6 12.521 -12.436 1.565 1.00 1.36 H new ATOM 0 HA LEU B 6 13.261 -9.666 1.784 1.00 1.39 H new ATOM 0 HB2 LEU B 6 11.123 -9.237 0.875 1.00 1.44 H new ATOM 0 HB3 LEU B 6 11.857 -10.551 -0.022 1.00 1.44 H new ATOM 0 HG LEU B 6 9.584 -10.709 0.093 1.00 1.40 H new ATOM 0 HD11 LEU B 6 9.253 -13.066 0.983 1.00 2.46 H new ATOM 0 HD12 LEU B 6 10.713 -12.856 -0.013 1.00 2.46 H new ATOM 0 HD13 LEU B 6 10.848 -12.926 1.760 1.00 2.46 H new ATOM 0 HD21 LEU B 6 8.227 -11.388 2.086 1.00 2.64 H new ATOM 0 HD22 LEU B 6 9.622 -10.961 3.106 1.00 2.64 H new ATOM 0 HD23 LEU B 6 8.828 -9.713 2.116 1.00 2.64 H new ATOM 1729 N THR B 7 11.585 -8.817 3.600 1.00 1.35 N ATOM 1730 CA THR B 7 10.909 -8.250 4.769 1.00 1.47 C ATOM 1731 C THR B 7 9.395 -8.149 4.535 1.00 1.19 C ATOM 1732 O THR B 7 8.982 -7.815 3.441 1.00 1.20 O ATOM 1733 CB THR B 7 11.280 -8.934 6.088 1.00 1.25 C ATOM 1734 OG1 THR B 7 12.660 -9.219 6.153 1.00 1.59 O ATOM 1735 CG2 THR B 7 10.888 -8.141 7.342 1.00 1.09 C ATOM 0 H THR B 7 11.772 -8.101 2.898 1.00 1.35 H new ATOM 0 HA THR B 7 11.283 -7.233 4.887 1.00 1.47 H new ATOM 0 HB THR B 7 10.698 -9.856 6.086 1.00 1.25 H new ATOM 0 HG1 THR B 7 12.827 -10.114 5.790 1.00 1.59 H new ATOM 0 HG21 THR B 7 11.186 -8.696 8.231 1.00 1.09 H new ATOM 0 HG22 THR B 7 11.390 -7.174 7.332 1.00 1.09 H new ATOM 0 HG23 THR B 7 9.809 -7.990 7.354 1.00 1.09 H new ATOM 1743 N GLU B 8 8.532 -8.317 5.534 1.00 1.14 N ATOM 1744 CA GLU B 8 7.106 -8.049 5.410 1.00 1.17 C ATOM 1745 C GLU B 8 6.807 -6.657 4.829 1.00 1.22 C ATOM 1746 O GLU B 8 5.808 -6.486 4.136 1.00 1.33 O ATOM 1747 CB GLU B 8 6.425 -8.297 6.763 1.00 1.13 C ATOM 1748 CG GLU B 8 6.186 -9.800 7.003 1.00 1.67 C ATOM 1749 CD GLU B 8 7.406 -10.669 6.718 1.00 2.87 C ATOM 1750 OE1 GLU B 8 8.477 -10.330 7.268 1.00 3.49 O ATOM 1751 OE2 GLU B 8 7.254 -11.611 5.906 1.00 4.12 O ATOM 0 H GLU B 8 8.808 -8.646 6.459 1.00 1.14 H new ATOM 0 HA GLU B 8 6.684 -8.741 4.682 1.00 1.17 H new ATOM 0 HB2 GLU B 8 7.044 -7.893 7.564 1.00 1.13 H new ATOM 0 HB3 GLU B 8 5.474 -7.766 6.797 1.00 1.13 H new ATOM 0 HG2 GLU B 8 5.879 -9.949 8.038 1.00 1.67 H new ATOM 0 HG3 GLU B 8 5.360 -10.132 6.374 1.00 1.67 H new ATOM 1758 N LEU B 9 7.677 -5.660 5.040 1.00 1.22 N ATOM 1759 CA LEU B 9 7.491 -4.373 4.372 1.00 1.31 C ATOM 1760 C LEU B 9 7.694 -4.508 2.852 1.00 1.53 C ATOM 1761 O LEU B 9 7.032 -3.821 2.075 1.00 1.95 O ATOM 1762 CB LEU B 9 8.398 -3.295 4.986 1.00 1.33 C ATOM 1763 CG LEU B 9 8.019 -2.823 6.407 1.00 1.15 C ATOM 1764 CD1 LEU B 9 6.556 -2.383 6.531 1.00 1.85 C ATOM 1765 CD2 LEU B 9 8.338 -3.825 7.522 1.00 1.78 C ATOM 0 H LEU B 9 8.492 -5.719 5.650 1.00 1.22 H new ATOM 0 HA LEU B 9 6.462 -4.050 4.531 1.00 1.31 H new ATOM 0 HB2 LEU B 9 9.418 -3.678 5.011 1.00 1.33 H new ATOM 0 HB3 LEU B 9 8.399 -2.429 4.325 1.00 1.33 H new ATOM 0 HG LEU B 9 8.665 -1.957 6.551 1.00 1.15 H new ATOM 0 HD11 LEU B 9 6.357 -2.064 7.554 1.00 1.85 H new ATOM 0 HD12 LEU B 9 6.366 -1.554 5.849 1.00 1.85 H new ATOM 0 HD13 LEU B 9 5.902 -3.218 6.278 1.00 1.85 H new ATOM 0 HD21 LEU B 9 8.038 -3.408 8.483 1.00 1.78 H new ATOM 0 HD22 LEU B 9 7.795 -4.753 7.344 1.00 1.78 H new ATOM 0 HD23 LEU B 9 9.409 -4.028 7.533 1.00 1.78 H new ATOM 1777 N GLU B 10 8.588 -5.409 2.437 1.00 1.32 N ATOM 1778 CA GLU B 10 8.758 -5.876 1.067 1.00 1.38 C ATOM 1779 C GLU B 10 7.493 -6.598 0.605 1.00 1.33 C ATOM 1780 O GLU B 10 6.973 -6.294 -0.465 1.00 1.50 O ATOM 1781 CB GLU B 10 9.946 -6.842 1.003 1.00 1.35 C ATOM 1782 CG GLU B 10 10.637 -6.945 -0.350 1.00 1.48 C ATOM 1783 CD GLU B 10 9.736 -7.526 -1.427 1.00 1.95 C ATOM 1784 OE1 GLU B 10 9.584 -8.767 -1.405 1.00 3.34 O ATOM 1785 OE2 GLU B 10 9.271 -6.734 -2.273 1.00 2.23 O ATOM 0 H GLU B 10 9.243 -5.852 3.082 1.00 1.32 H new ATOM 0 HA GLU B 10 8.943 -5.021 0.416 1.00 1.38 H new ATOM 0 HB2 GLU B 10 10.683 -6.533 1.745 1.00 1.35 H new ATOM 0 HB3 GLU B 10 9.600 -7.835 1.291 1.00 1.35 H new ATOM 0 HG2 GLU B 10 10.972 -5.955 -0.658 1.00 1.48 H new ATOM 0 HG3 GLU B 10 11.527 -7.567 -0.252 1.00 1.48 H new ATOM 1792 N GLU B 11 7.002 -7.548 1.418 1.00 1.21 N ATOM 1793 CA GLU B 11 5.810 -8.335 1.083 1.00 1.28 C ATOM 1794 C GLU B 11 4.731 -7.399 0.519 1.00 1.49 C ATOM 1795 O GLU B 11 4.228 -7.587 -0.588 1.00 1.88 O ATOM 1796 CB GLU B 11 5.319 -9.115 2.318 1.00 1.51 C ATOM 1797 CG GLU B 11 4.244 -10.179 2.037 1.00 2.00 C ATOM 1798 CD GLU B 11 4.787 -11.401 1.317 1.00 2.22 C ATOM 1799 OE1 GLU B 11 6.011 -11.637 1.394 1.00 2.69 O ATOM 1800 OE2 GLU B 11 4.019 -12.130 0.661 1.00 3.41 O ATOM 0 H GLU B 11 7.418 -7.789 2.318 1.00 1.21 H new ATOM 0 HA GLU B 11 6.051 -9.073 0.318 1.00 1.28 H new ATOM 0 HB2 GLU B 11 6.176 -9.602 2.784 1.00 1.51 H new ATOM 0 HB3 GLU B 11 4.923 -8.404 3.043 1.00 1.51 H new ATOM 0 HG2 GLU B 11 3.795 -10.490 2.980 1.00 2.00 H new ATOM 0 HG3 GLU B 11 3.450 -9.735 1.437 1.00 2.00 H new ATOM 1807 N SER B 12 4.455 -6.318 1.252 1.00 1.40 N ATOM 1808 CA SER B 12 3.496 -5.305 0.859 1.00 1.75 C ATOM 1809 C SER B 12 3.700 -4.765 -0.564 1.00 1.83 C ATOM 1810 O SER B 12 2.709 -4.476 -1.234 1.00 2.11 O ATOM 1811 CB SER B 12 3.536 -4.175 1.886 1.00 1.99 C ATOM 1812 OG SER B 12 3.613 -4.727 3.186 1.00 2.40 O ATOM 0 H SER B 12 4.903 -6.127 2.148 1.00 1.40 H new ATOM 0 HA SER B 12 2.513 -5.775 0.839 1.00 1.75 H new ATOM 0 HB2 SER B 12 4.395 -3.530 1.701 1.00 1.99 H new ATOM 0 HB3 SER B 12 2.645 -3.553 1.795 1.00 1.99 H new ATOM 0 HG SER B 12 3.955 -4.052 3.808 1.00 2.40 H new ATOM 1818 N ILE B 13 4.944 -4.593 -1.040 1.00 1.66 N ATOM 1819 CA ILE B 13 5.141 -4.131 -2.409 1.00 1.63 C ATOM 1820 C ILE B 13 4.681 -5.229 -3.365 1.00 1.36 C ATOM 1821 O ILE B 13 3.796 -5.025 -4.199 1.00 1.26 O ATOM 1822 CB ILE B 13 6.588 -3.736 -2.791 1.00 1.71 C ATOM 1823 CG1 ILE B 13 7.517 -3.227 -1.690 1.00 2.42 C ATOM 1824 CG2 ILE B 13 6.535 -2.722 -3.946 1.00 1.51 C ATOM 1825 CD1 ILE B 13 6.994 -2.097 -0.817 1.00 1.02 C ATOM 0 H ILE B 13 5.799 -4.763 -0.511 1.00 1.66 H new ATOM 0 HA ILE B 13 4.556 -3.215 -2.486 1.00 1.63 H new ATOM 0 HB ILE B 13 7.052 -4.682 -3.069 1.00 1.71 H new ATOM 0 HG12 ILE B 13 7.768 -4.067 -1.043 1.00 2.42 H new ATOM 0 HG13 ILE B 13 8.445 -2.895 -2.156 1.00 2.42 H new ATOM 0 HG21 ILE B 13 7.549 -2.435 -4.225 1.00 1.51 H new ATOM 0 HG22 ILE B 13 6.036 -3.173 -4.804 1.00 1.51 H new ATOM 0 HG23 ILE B 13 5.982 -1.838 -3.629 1.00 1.51 H new ATOM 0 HD11 ILE B 13 7.748 -1.830 -0.077 1.00 1.02 H new ATOM 0 HD12 ILE B 13 6.772 -1.230 -1.439 1.00 1.02 H new ATOM 0 HD13 ILE B 13 6.086 -2.420 -0.309 1.00 1.02 H new ATOM 1837 N GLU B 14 5.336 -6.389 -3.273 1.00 1.34 N ATOM 1838 CA GLU B 14 5.235 -7.381 -4.324 1.00 1.42 C ATOM 1839 C GLU B 14 3.801 -7.923 -4.384 1.00 1.35 C ATOM 1840 O GLU B 14 3.221 -8.072 -5.462 1.00 1.31 O ATOM 1841 CB GLU B 14 6.345 -8.429 -4.192 1.00 1.68 C ATOM 1842 CG GLU B 14 6.072 -9.499 -3.139 1.00 1.37 C ATOM 1843 CD GLU B 14 4.994 -10.481 -3.573 1.00 1.97 C ATOM 1844 OE1 GLU B 14 4.892 -10.749 -4.788 1.00 2.75 O ATOM 1845 OE2 GLU B 14 4.326 -10.992 -2.650 1.00 2.84 O ATOM 0 H GLU B 14 5.932 -6.654 -2.489 1.00 1.34 H new ATOM 0 HA GLU B 14 5.413 -6.935 -5.302 1.00 1.42 H new ATOM 0 HB2 GLU B 14 6.489 -8.914 -5.158 1.00 1.68 H new ATOM 0 HB3 GLU B 14 7.279 -7.924 -3.947 1.00 1.68 H new ATOM 0 HG2 GLU B 14 6.993 -10.044 -2.932 1.00 1.37 H new ATOM 0 HG3 GLU B 14 5.769 -9.019 -2.208 1.00 1.37 H new ATOM 1852 N THR B 15 3.214 -8.168 -3.208 1.00 1.38 N ATOM 1853 CA THR B 15 1.913 -8.798 -3.099 1.00 1.40 C ATOM 1854 C THR B 15 0.881 -7.968 -3.856 1.00 1.17 C ATOM 1855 O THR B 15 0.127 -8.507 -4.661 1.00 1.21 O ATOM 1856 CB THR B 15 1.550 -9.029 -1.630 1.00 1.57 C ATOM 1857 OG1 THR B 15 2.555 -9.811 -1.021 1.00 1.87 O ATOM 1858 CG2 THR B 15 0.218 -9.772 -1.489 1.00 1.71 C ATOM 0 H THR B 15 3.635 -7.931 -2.310 1.00 1.38 H new ATOM 0 HA THR B 15 1.932 -9.785 -3.562 1.00 1.40 H new ATOM 0 HB THR B 15 1.463 -8.054 -1.151 1.00 1.57 H new ATOM 0 HG1 THR B 15 3.089 -10.254 -1.713 1.00 1.87 H new ATOM 0 HG21 THR B 15 -0.007 -9.918 -0.433 1.00 1.71 H new ATOM 0 HG22 THR B 15 -0.576 -9.186 -1.952 1.00 1.71 H new ATOM 0 HG23 THR B 15 0.288 -10.741 -1.982 1.00 1.71 H new ATOM 1866 N VAL B 16 0.867 -6.648 -3.659 1.00 0.99 N ATOM 1867 CA VAL B 16 -0.046 -5.781 -4.377 1.00 0.82 C ATOM 1868 C VAL B 16 0.165 -5.925 -5.888 1.00 0.76 C ATOM 1869 O VAL B 16 -0.782 -6.231 -6.614 1.00 0.80 O ATOM 1870 CB VAL B 16 0.134 -4.342 -3.884 1.00 0.69 C ATOM 1871 CG1 VAL B 16 -0.615 -3.364 -4.788 1.00 0.61 C ATOM 1872 CG2 VAL B 16 -0.379 -4.189 -2.446 1.00 0.87 C ATOM 0 H VAL B 16 1.482 -6.163 -3.005 1.00 0.99 H new ATOM 0 HA VAL B 16 -1.079 -6.070 -4.180 1.00 0.82 H new ATOM 0 HB VAL B 16 1.200 -4.116 -3.911 1.00 0.69 H new ATOM 0 HG11 VAL B 16 -0.474 -2.348 -4.420 1.00 0.61 H new ATOM 0 HG12 VAL B 16 -0.228 -3.439 -5.804 1.00 0.61 H new ATOM 0 HG13 VAL B 16 -1.678 -3.607 -4.785 1.00 0.61 H new ATOM 0 HG21 VAL B 16 -0.241 -3.159 -2.118 1.00 0.87 H new ATOM 0 HG22 VAL B 16 -1.438 -4.442 -2.409 1.00 0.87 H new ATOM 0 HG23 VAL B 16 0.177 -4.857 -1.788 1.00 0.87 H new ATOM 1882 N VAL B 17 1.392 -5.702 -6.378 1.00 0.79 N ATOM 1883 CA VAL B 17 1.652 -5.758 -7.815 1.00 0.82 C ATOM 1884 C VAL B 17 1.213 -7.099 -8.420 1.00 0.80 C ATOM 1885 O VAL B 17 0.571 -7.101 -9.470 1.00 0.75 O ATOM 1886 CB VAL B 17 3.078 -5.330 -8.209 1.00 0.83 C ATOM 1887 CG1 VAL B 17 3.308 -3.854 -7.855 1.00 1.13 C ATOM 1888 CG2 VAL B 17 4.156 -6.168 -7.534 1.00 0.90 C ATOM 0 H VAL B 17 2.208 -5.484 -5.806 1.00 0.79 H new ATOM 0 HA VAL B 17 1.020 -4.996 -8.271 1.00 0.82 H new ATOM 0 HB VAL B 17 3.157 -5.484 -9.285 1.00 0.83 H new ATOM 0 HG11 VAL B 17 4.320 -3.565 -8.139 1.00 1.13 H new ATOM 0 HG12 VAL B 17 2.590 -3.235 -8.392 1.00 1.13 H new ATOM 0 HG13 VAL B 17 3.178 -3.713 -6.782 1.00 1.13 H new ATOM 0 HG21 VAL B 17 5.139 -5.820 -7.850 1.00 0.90 H new ATOM 0 HG22 VAL B 17 4.068 -6.071 -6.452 1.00 0.90 H new ATOM 0 HG23 VAL B 17 4.034 -7.214 -7.816 1.00 0.90 H new ATOM 1898 N THR B 18 1.495 -8.232 -7.764 1.00 0.95 N ATOM 1899 CA THR B 18 1.009 -9.512 -8.270 1.00 1.08 C ATOM 1900 C THR B 18 -0.512 -9.638 -8.118 1.00 1.08 C ATOM 1901 O THR B 18 -1.153 -10.234 -8.980 1.00 1.15 O ATOM 1902 CB THR B 18 1.780 -10.711 -7.689 1.00 1.58 C ATOM 1903 OG1 THR B 18 1.496 -11.871 -8.446 1.00 1.69 O ATOM 1904 CG2 THR B 18 1.463 -10.985 -6.222 1.00 2.05 C ATOM 0 H THR B 18 2.043 -8.285 -6.905 1.00 0.95 H new ATOM 0 HA THR B 18 1.214 -9.533 -9.340 1.00 1.08 H new ATOM 0 HB THR B 18 2.838 -10.454 -7.746 1.00 1.58 H new ATOM 0 HG1 THR B 18 1.989 -12.632 -8.075 1.00 1.69 H new ATOM 0 HG21 THR B 18 2.041 -11.843 -5.879 1.00 2.05 H new ATOM 0 HG22 THR B 18 1.721 -10.111 -5.624 1.00 2.05 H new ATOM 0 HG23 THR B 18 0.399 -11.198 -6.113 1.00 2.05 H new ATOM 1912 N THR B 19 -1.116 -9.084 -7.062 1.00 1.13 N ATOM 1913 CA THR B 19 -2.557 -9.179 -6.846 1.00 1.28 C ATOM 1914 C THR B 19 -3.337 -8.510 -7.983 1.00 1.19 C ATOM 1915 O THR B 19 -4.417 -8.976 -8.333 1.00 1.36 O ATOM 1916 CB THR B 19 -2.936 -8.629 -5.465 1.00 1.43 C ATOM 1917 OG1 THR B 19 -2.376 -9.447 -4.463 1.00 1.68 O ATOM 1918 CG2 THR B 19 -4.447 -8.618 -5.235 1.00 1.70 C ATOM 0 H THR B 19 -0.621 -8.561 -6.339 1.00 1.13 H new ATOM 0 HA THR B 19 -2.840 -10.232 -6.859 1.00 1.28 H new ATOM 0 HB THR B 19 -2.559 -7.607 -5.422 1.00 1.43 H new ATOM 0 HG1 THR B 19 -1.435 -9.206 -4.332 1.00 1.68 H new ATOM 0 HG21 THR B 19 -4.661 -8.220 -4.243 1.00 1.70 H new ATOM 0 HG22 THR B 19 -4.925 -7.992 -5.988 1.00 1.70 H new ATOM 0 HG23 THR B 19 -4.834 -9.634 -5.309 1.00 1.70 H new ATOM 1926 N PHE B 20 -2.792 -7.465 -8.621 1.00 1.02 N ATOM 1927 CA PHE B 20 -3.400 -6.942 -9.850 1.00 1.09 C ATOM 1928 C PHE B 20 -3.583 -8.030 -10.918 1.00 1.25 C ATOM 1929 O PHE B 20 -4.457 -7.900 -11.773 1.00 1.41 O ATOM 1930 CB PHE B 20 -2.593 -5.781 -10.437 1.00 0.99 C ATOM 1931 CG PHE B 20 -2.778 -4.457 -9.727 1.00 0.93 C ATOM 1932 CD1 PHE B 20 -3.849 -3.611 -10.070 1.00 1.65 C ATOM 1933 CD2 PHE B 20 -1.800 -4.006 -8.827 1.00 1.71 C ATOM 1934 CE1 PHE B 20 -3.887 -2.297 -9.576 1.00 1.75 C ATOM 1935 CE2 PHE B 20 -1.795 -2.672 -8.394 1.00 1.61 C ATOM 1936 CZ PHE B 20 -2.812 -1.804 -8.818 1.00 0.98 C ATOM 0 H PHE B 20 -1.951 -6.975 -8.315 1.00 1.02 H new ATOM 0 HA PHE B 20 -4.385 -6.575 -9.561 1.00 1.09 H new ATOM 0 HB2 PHE B 20 -1.536 -6.044 -10.415 1.00 0.99 H new ATOM 0 HB3 PHE B 20 -2.869 -5.658 -11.484 1.00 0.99 H new ATOM 0 HD1 PHE B 20 -4.640 -3.971 -10.711 1.00 1.65 H new ATOM 0 HD2 PHE B 20 -1.047 -4.690 -8.466 1.00 1.71 H new ATOM 0 HE1 PHE B 20 -4.741 -1.667 -9.778 1.00 1.75 H new ATOM 0 HE2 PHE B 20 -1.014 -2.316 -7.739 1.00 1.61 H new ATOM 0 HZ PHE B 20 -2.769 -0.756 -8.561 1.00 0.98 H new ATOM 1946 N PHE B 21 -2.758 -9.083 -10.905 1.00 1.27 N ATOM 1947 CA PHE B 21 -2.968 -10.244 -11.757 1.00 1.51 C ATOM 1948 C PHE B 21 -4.268 -10.944 -11.368 1.00 1.62 C ATOM 1949 O PHE B 21 -5.076 -11.269 -12.237 1.00 1.84 O ATOM 1950 CB PHE B 21 -1.759 -11.194 -11.710 1.00 1.58 C ATOM 1951 CG PHE B 21 -1.616 -12.091 -12.929 1.00 2.17 C ATOM 1952 CD1 PHE B 21 -2.546 -13.122 -13.161 1.00 3.93 C ATOM 1953 CD2 PHE B 21 -0.530 -11.923 -13.812 1.00 2.33 C ATOM 1954 CE1 PHE B 21 -2.420 -13.947 -14.292 1.00 4.66 C ATOM 1955 CE2 PHE B 21 -0.400 -12.756 -14.938 1.00 3.11 C ATOM 1956 CZ PHE B 21 -1.350 -13.762 -15.183 1.00 3.90 C ATOM 0 H PHE B 21 -1.935 -9.148 -10.307 1.00 1.27 H new ATOM 0 HA PHE B 21 -3.062 -9.913 -12.791 1.00 1.51 H new ATOM 0 HB2 PHE B 21 -0.851 -10.601 -11.602 1.00 1.58 H new ATOM 0 HB3 PHE B 21 -1.839 -11.820 -10.821 1.00 1.58 H new ATOM 0 HD1 PHE B 21 -3.359 -13.280 -12.468 1.00 3.93 H new ATOM 0 HD2 PHE B 21 0.204 -11.153 -13.624 1.00 2.33 H new ATOM 0 HE1 PHE B 21 -3.147 -14.724 -14.476 1.00 4.66 H new ATOM 0 HE2 PHE B 21 0.431 -12.622 -15.615 1.00 3.11 H new ATOM 0 HZ PHE B 21 -1.258 -14.392 -16.055 1.00 3.90 H new ATOM 1966 N THR B 22 -4.515 -11.129 -10.069 1.00 1.61 N ATOM 1967 CA THR B 22 -5.712 -11.803 -9.596 1.00 1.87 C ATOM 1968 C THR B 22 -6.875 -10.801 -9.575 1.00 1.67 C ATOM 1969 O THR B 22 -7.542 -10.614 -8.561 1.00 1.94 O ATOM 1970 CB THR B 22 -5.459 -12.342 -8.173 1.00 2.32 C ATOM 1971 OG1 THR B 22 -4.109 -12.632 -7.880 1.00 3.08 O ATOM 1972 CG2 THR B 22 -6.297 -13.603 -7.931 1.00 2.68 C ATOM 0 H THR B 22 -3.891 -10.816 -9.325 1.00 1.61 H new ATOM 0 HA THR B 22 -5.961 -12.633 -10.257 1.00 1.87 H new ATOM 0 HB THR B 22 -5.753 -11.531 -7.507 1.00 2.32 H new ATOM 0 HG1 THR B 22 -3.985 -12.666 -6.908 1.00 3.08 H new ATOM 0 HG21 THR B 22 -6.111 -13.976 -6.924 1.00 2.68 H new ATOM 0 HG22 THR B 22 -7.355 -13.363 -8.040 1.00 2.68 H new ATOM 0 HG23 THR B 22 -6.022 -14.368 -8.657 1.00 2.68 H new ATOM 2097 N LYS B 30 -3.341 -4.495 -17.055 1.00 1.72 N ATOM 2098 CA LYS B 30 -2.495 -3.386 -17.466 1.00 1.68 C ATOM 2099 C LYS B 30 -1.698 -2.910 -16.247 1.00 1.64 C ATOM 2100 O LYS B 30 -0.650 -3.475 -15.938 1.00 2.43 O ATOM 2101 CB LYS B 30 -3.372 -2.321 -18.149 1.00 1.88 C ATOM 2102 CG LYS B 30 -2.599 -1.072 -18.595 1.00 2.65 C ATOM 2103 CD LYS B 30 -3.489 -0.230 -19.516 1.00 2.93 C ATOM 2104 CE LYS B 30 -2.908 1.176 -19.704 1.00 3.74 C ATOM 2105 NZ LYS B 30 -3.780 1.996 -20.565 1.00 4.26 N ATOM 0 HA LYS B 30 -1.752 -3.668 -18.212 1.00 1.68 H new ATOM 0 HB2 LYS B 30 -3.856 -2.766 -19.018 1.00 1.88 H new ATOM 0 HB3 LYS B 30 -4.163 -2.021 -17.462 1.00 1.88 H new ATOM 0 HG2 LYS B 30 -2.298 -0.487 -17.726 1.00 2.65 H new ATOM 0 HG3 LYS B 30 -1.687 -1.361 -19.116 1.00 2.65 H new ATOM 0 HD2 LYS B 30 -3.584 -0.721 -20.485 1.00 2.93 H new ATOM 0 HD3 LYS B 30 -4.492 -0.160 -19.094 1.00 2.93 H new ATOM 0 HE2 LYS B 30 -2.792 1.658 -18.733 1.00 3.74 H new ATOM 0 HE3 LYS B 30 -1.914 1.107 -20.147 1.00 3.74 H new ATOM 0 HZ1 LYS B 30 -3.720 2.992 -20.272 1.00 4.26 H new ATOM 0 HZ2 LYS B 30 -3.473 1.907 -21.555 1.00 4.26 H new ATOM 0 HZ3 LYS B 30 -4.763 1.668 -20.476 1.00 4.26 H new ATOM 2119 N ASP B 31 -2.234 -1.912 -15.534 1.00 1.28 N ATOM 2120 CA ASP B 31 -1.600 -1.270 -14.388 1.00 1.16 C ATOM 2121 C ASP B 31 -2.621 -1.127 -13.262 1.00 1.20 C ATOM 2122 O ASP B 31 -2.368 -1.557 -12.141 1.00 1.66 O ATOM 2123 CB ASP B 31 -1.051 0.111 -14.768 1.00 1.20 C ATOM 2124 CG ASP B 31 0.171 0.050 -15.671 1.00 1.76 C ATOM 2125 OD1 ASP B 31 -0.034 -0.015 -16.902 1.00 2.72 O ATOM 2126 OD2 ASP B 31 1.285 0.111 -15.105 1.00 2.63 O ATOM 0 H ASP B 31 -3.151 -1.520 -15.750 1.00 1.28 H new ATOM 0 HA ASP B 31 -0.766 -1.889 -14.057 1.00 1.16 H new ATOM 0 HB2 ASP B 31 -1.835 0.680 -15.268 1.00 1.20 H new ATOM 0 HB3 ASP B 31 -0.794 0.654 -13.858 1.00 1.20 H new ATOM 2131 N SER B 32 -3.769 -0.509 -13.559 1.00 1.06 N ATOM 2132 CA SER B 32 -4.931 -0.457 -12.685 1.00 1.06 C ATOM 2133 C SER B 32 -6.179 -0.225 -13.548 1.00 1.06 C ATOM 2134 O SER B 32 -6.131 -0.424 -14.763 1.00 1.18 O ATOM 2135 CB SER B 32 -4.750 0.629 -11.615 1.00 1.07 C ATOM 2136 OG SER B 32 -5.778 0.554 -10.643 1.00 2.00 O ATOM 0 H SER B 32 -3.913 -0.019 -14.442 1.00 1.06 H new ATOM 0 HA SER B 32 -5.050 -1.400 -12.151 1.00 1.06 H new ATOM 0 HB2 SER B 32 -3.779 0.513 -11.134 1.00 1.07 H new ATOM 0 HB3 SER B 32 -4.758 1.613 -12.084 1.00 1.07 H new ATOM 0 HG SER B 32 -5.399 0.261 -9.788 1.00 2.00 H new ATOM 2142 N LEU B 33 -7.279 0.176 -12.907 1.00 1.02 N ATOM 2143 CA LEU B 33 -8.595 0.388 -13.497 1.00 1.03 C ATOM 2144 C LEU B 33 -8.782 1.884 -13.790 1.00 1.00 C ATOM 2145 O LEU B 33 -7.805 2.629 -13.842 1.00 0.99 O ATOM 2146 CB LEU B 33 -9.680 -0.151 -12.538 1.00 1.05 C ATOM 2147 CG LEU B 33 -9.518 -1.611 -12.073 1.00 1.13 C ATOM 2148 CD1 LEU B 33 -9.248 -2.571 -13.238 1.00 1.71 C ATOM 2149 CD2 LEU B 33 -8.458 -1.781 -10.980 1.00 1.13 C ATOM 0 H LEU B 33 -7.271 0.371 -11.906 1.00 1.02 H new ATOM 0 HA LEU B 33 -8.684 -0.153 -14.439 1.00 1.03 H new ATOM 0 HB2 LEU B 33 -9.704 0.488 -11.655 1.00 1.05 H new ATOM 0 HB3 LEU B 33 -10.649 -0.054 -13.028 1.00 1.05 H new ATOM 0 HG LEU B 33 -10.480 -1.877 -11.634 1.00 1.13 H new ATOM 0 HD11 LEU B 33 -9.142 -3.586 -12.856 1.00 1.71 H new ATOM 0 HD12 LEU B 33 -10.080 -2.533 -13.941 1.00 1.71 H new ATOM 0 HD13 LEU B 33 -8.330 -2.277 -13.746 1.00 1.71 H new ATOM 0 HD21 LEU B 33 -8.393 -2.832 -10.697 1.00 1.13 H new ATOM 0 HD22 LEU B 33 -7.491 -1.446 -11.355 1.00 1.13 H new ATOM 0 HD23 LEU B 33 -8.735 -1.187 -10.109 1.00 1.13 H new ATOM 2161 N SER B 34 -10.032 2.337 -13.959 1.00 1.06 N ATOM 2162 CA SER B 34 -10.371 3.753 -14.050 1.00 1.01 C ATOM 2163 C SER B 34 -10.705 4.291 -12.658 1.00 1.02 C ATOM 2164 O SER B 34 -10.945 3.522 -11.727 1.00 1.05 O ATOM 2165 CB SER B 34 -11.502 3.982 -15.060 1.00 1.04 C ATOM 2166 OG SER B 34 -11.802 5.360 -15.170 1.00 2.70 O ATOM 0 H SER B 34 -10.840 1.720 -14.036 1.00 1.06 H new ATOM 0 HA SER B 34 -9.512 4.311 -14.423 1.00 1.01 H new ATOM 0 HB2 SER B 34 -11.211 3.589 -16.034 1.00 1.04 H new ATOM 0 HB3 SER B 34 -12.391 3.435 -14.748 1.00 1.04 H new ATOM 0 HG SER B 34 -10.973 5.866 -15.297 1.00 2.70 H new ATOM 2172 N VAL B 35 -10.669 5.615 -12.503 1.00 1.04 N ATOM 2173 CA VAL B 35 -10.500 6.236 -11.198 1.00 0.98 C ATOM 2174 C VAL B 35 -11.748 6.082 -10.323 1.00 1.02 C ATOM 2175 O VAL B 35 -11.697 5.471 -9.252 1.00 0.92 O ATOM 2176 CB VAL B 35 -10.123 7.717 -11.373 1.00 1.03 C ATOM 2177 CG1 VAL B 35 -9.723 8.315 -10.032 1.00 1.01 C ATOM 2178 CG2 VAL B 35 -8.954 7.972 -12.335 1.00 1.09 C ATOM 0 H VAL B 35 -10.756 6.278 -13.273 1.00 1.04 H new ATOM 0 HA VAL B 35 -9.691 5.722 -10.679 1.00 0.98 H new ATOM 0 HB VAL B 35 -11.015 8.179 -11.795 1.00 1.03 H new ATOM 0 HG11 VAL B 35 -9.458 9.364 -10.166 1.00 1.01 H new ATOM 0 HG12 VAL B 35 -10.558 8.238 -9.336 1.00 1.01 H new ATOM 0 HG13 VAL B 35 -8.866 7.772 -9.633 1.00 1.01 H new ATOM 0 HG21 VAL B 35 -8.760 9.043 -12.396 1.00 1.09 H new ATOM 0 HG22 VAL B 35 -8.063 7.462 -11.969 1.00 1.09 H new ATOM 0 HG23 VAL B 35 -9.208 7.593 -13.325 1.00 1.09 H new ATOM 2188 N ASN B 36 -12.881 6.640 -10.765 1.00 1.23 N ATOM 2189 CA ASN B 36 -14.099 6.607 -9.960 1.00 1.45 C ATOM 2190 C ASN B 36 -14.595 5.169 -9.822 1.00 1.43 C ATOM 2191 O ASN B 36 -15.066 4.779 -8.756 1.00 1.45 O ATOM 2192 CB ASN B 36 -15.213 7.508 -10.526 1.00 1.92 C ATOM 2193 CG ASN B 36 -15.559 8.670 -9.585 1.00 3.26 C ATOM 2194 OD1 ASN B 36 -15.468 8.555 -8.365 1.00 4.43 O ATOM 2195 ND2 ASN B 36 -15.968 9.807 -10.136 1.00 3.43 N ATOM 0 H ASN B 36 -12.976 7.113 -11.664 1.00 1.23 H new ATOM 0 HA ASN B 36 -13.845 7.003 -8.977 1.00 1.45 H new ATOM 0 HB2 ASN B 36 -14.900 7.906 -11.491 1.00 1.92 H new ATOM 0 HB3 ASN B 36 -16.106 6.909 -10.703 1.00 1.92 H new ATOM 0 HD21 ASN B 36 -16.212 10.601 -9.545 1.00 3.43 H new ATOM 0 HD22 ASN B 36 -16.038 9.886 -11.151 1.00 3.43 H new ATOM 2202 N GLU B 37 -14.465 4.394 -10.907 1.00 1.47 N ATOM 2203 CA GLU B 37 -14.755 2.969 -10.915 1.00 1.53 C ATOM 2204 C GLU B 37 -14.014 2.325 -9.746 1.00 1.38 C ATOM 2205 O GLU B 37 -14.636 1.839 -8.804 1.00 1.51 O ATOM 2206 CB GLU B 37 -14.333 2.390 -12.278 1.00 1.65 C ATOM 2207 CG GLU B 37 -14.499 0.869 -12.385 1.00 1.70 C ATOM 2208 CD GLU B 37 -15.957 0.452 -12.252 1.00 3.58 C ATOM 2209 OE1 GLU B 37 -16.644 0.469 -13.294 1.00 4.37 O ATOM 2210 OE2 GLU B 37 -16.351 0.143 -11.108 1.00 4.91 O ATOM 0 H GLU B 37 -14.152 4.751 -11.810 1.00 1.47 H new ATOM 0 HA GLU B 37 -15.819 2.767 -10.789 1.00 1.53 H new ATOM 0 HB2 GLU B 37 -14.922 2.866 -13.062 1.00 1.65 H new ATOM 0 HB3 GLU B 37 -13.290 2.646 -12.463 1.00 1.65 H new ATOM 0 HG2 GLU B 37 -14.108 0.527 -13.343 1.00 1.70 H new ATOM 0 HG3 GLU B 37 -13.909 0.383 -11.608 1.00 1.70 H new ATOM 2217 N PHE B 38 -12.679 2.415 -9.758 1.00 1.15 N ATOM 2218 CA PHE B 38 -11.831 1.901 -8.693 1.00 0.99 C ATOM 2219 C PHE B 38 -12.331 2.313 -7.305 1.00 0.89 C ATOM 2220 O PHE B 38 -12.472 1.458 -6.430 1.00 0.91 O ATOM 2221 CB PHE B 38 -10.384 2.344 -8.924 1.00 0.85 C ATOM 2222 CG PHE B 38 -9.419 1.819 -7.886 1.00 0.99 C ATOM 2223 CD1 PHE B 38 -9.254 0.432 -7.737 1.00 2.87 C ATOM 2224 CD2 PHE B 38 -8.767 2.704 -7.007 1.00 1.56 C ATOM 2225 CE1 PHE B 38 -8.443 -0.071 -6.711 1.00 3.46 C ATOM 2226 CE2 PHE B 38 -7.914 2.202 -6.010 1.00 1.63 C ATOM 2227 CZ PHE B 38 -7.767 0.814 -5.854 1.00 2.23 C ATOM 0 H PHE B 38 -12.158 2.852 -10.518 1.00 1.15 H new ATOM 0 HA PHE B 38 -11.874 0.812 -8.721 1.00 0.99 H new ATOM 0 HB2 PHE B 38 -10.063 2.008 -9.910 1.00 0.85 H new ATOM 0 HB3 PHE B 38 -10.342 3.433 -8.929 1.00 0.85 H new ATOM 0 HD1 PHE B 38 -9.752 -0.247 -8.413 1.00 2.87 H new ATOM 0 HD2 PHE B 38 -8.922 3.769 -7.099 1.00 1.56 H new ATOM 0 HE1 PHE B 38 -8.338 -1.138 -6.579 1.00 3.46 H new ATOM 0 HE2 PHE B 38 -7.374 2.880 -5.366 1.00 1.63 H new ATOM 0 HZ PHE B 38 -7.132 0.425 -5.072 1.00 2.23 H new ATOM 2237 N LYS B 39 -12.618 3.607 -7.110 1.00 0.87 N ATOM 2238 CA LYS B 39 -13.155 4.122 -5.851 1.00 0.92 C ATOM 2239 C LYS B 39 -14.353 3.313 -5.335 1.00 1.13 C ATOM 2240 O LYS B 39 -14.479 3.160 -4.121 1.00 1.32 O ATOM 2241 CB LYS B 39 -13.406 5.644 -5.940 1.00 1.06 C ATOM 2242 CG LYS B 39 -14.364 6.195 -4.864 1.00 1.08 C ATOM 2243 CD LYS B 39 -15.786 6.285 -5.442 1.00 1.38 C ATOM 2244 CE LYS B 39 -16.856 6.426 -4.351 1.00 2.20 C ATOM 2245 NZ LYS B 39 -18.215 6.589 -4.916 1.00 3.11 N ATOM 0 H LYS B 39 -12.483 4.324 -7.823 1.00 0.87 H new ATOM 0 HA LYS B 39 -12.395 3.982 -5.082 1.00 0.92 H new ATOM 0 HB2 LYS B 39 -12.451 6.163 -5.859 1.00 1.06 H new ATOM 0 HB3 LYS B 39 -13.812 5.876 -6.924 1.00 1.06 H new ATOM 0 HG2 LYS B 39 -14.356 5.546 -3.988 1.00 1.08 H new ATOM 0 HG3 LYS B 39 -14.031 7.179 -4.535 1.00 1.08 H new ATOM 0 HD2 LYS B 39 -15.847 7.138 -6.118 1.00 1.38 H new ATOM 0 HD3 LYS B 39 -15.991 5.393 -6.034 1.00 1.38 H new ATOM 0 HE2 LYS B 39 -16.835 5.546 -3.708 1.00 2.20 H new ATOM 0 HE3 LYS B 39 -16.620 7.285 -3.723 1.00 2.20 H new ATOM 0 HZ1 LYS B 39 -18.784 7.188 -4.284 1.00 3.11 H new ATOM 0 HZ2 LYS B 39 -18.150 7.037 -5.852 1.00 3.11 H new ATOM 0 HZ3 LYS B 39 -18.667 5.657 -5.009 1.00 3.11 H new ATOM 2259 N GLU B 40 -15.221 2.789 -6.202 1.00 1.18 N ATOM 2260 CA GLU B 40 -16.255 1.869 -5.742 1.00 1.38 C ATOM 2261 C GLU B 40 -15.706 0.450 -5.692 1.00 1.16 C ATOM 2262 O GLU B 40 -15.814 -0.195 -4.658 1.00 1.31 O ATOM 2263 CB GLU B 40 -17.553 2.039 -6.541 1.00 1.84 C ATOM 2264 CG GLU B 40 -17.981 3.497 -6.336 1.00 2.11 C ATOM 2265 CD GLU B 40 -19.450 3.805 -6.547 1.00 2.98 C ATOM 2266 OE1 GLU B 40 -20.193 2.929 -7.030 1.00 3.28 O ATOM 2267 OE2 GLU B 40 -19.777 4.956 -6.176 1.00 3.93 O ATOM 0 H GLU B 40 -15.228 2.982 -7.204 1.00 1.18 H new ATOM 0 HA GLU B 40 -16.539 2.112 -4.718 1.00 1.38 H new ATOM 0 HB2 GLU B 40 -17.393 1.823 -7.597 1.00 1.84 H new ATOM 0 HB3 GLU B 40 -18.322 1.352 -6.188 1.00 1.84 H new ATOM 0 HG2 GLU B 40 -17.712 3.792 -5.322 1.00 2.11 H new ATOM 0 HG3 GLU B 40 -17.400 4.122 -7.014 1.00 2.11 H new ATOM 2274 N LEU B 41 -15.075 -0.021 -6.767 1.00 1.05 N ATOM 2275 CA LEU B 41 -14.515 -1.363 -6.891 1.00 0.98 C ATOM 2276 C LEU B 41 -13.825 -1.842 -5.600 1.00 0.77 C ATOM 2277 O LEU B 41 -14.113 -2.944 -5.136 1.00 0.89 O ATOM 2278 CB LEU B 41 -13.578 -1.410 -8.112 1.00 1.22 C ATOM 2279 CG LEU B 41 -13.622 -2.705 -8.938 1.00 1.12 C ATOM 2280 CD1 LEU B 41 -13.318 -3.950 -8.104 1.00 2.01 C ATOM 2281 CD2 LEU B 41 -14.948 -2.885 -9.686 1.00 2.58 C ATOM 0 H LEU B 41 -14.936 0.543 -7.605 1.00 1.05 H new ATOM 0 HA LEU B 41 -15.333 -2.066 -7.049 1.00 0.98 H new ATOM 0 HB2 LEU B 41 -13.824 -0.575 -8.767 1.00 1.22 H new ATOM 0 HB3 LEU B 41 -12.555 -1.255 -7.768 1.00 1.22 H new ATOM 0 HG LEU B 41 -12.829 -2.594 -9.678 1.00 1.12 H new ATOM 0 HD11 LEU B 41 -13.363 -4.834 -8.740 1.00 2.01 H new ATOM 0 HD12 LEU B 41 -12.321 -3.864 -7.672 1.00 2.01 H new ATOM 0 HD13 LEU B 41 -14.053 -4.040 -7.304 1.00 2.01 H new ATOM 0 HD21 LEU B 41 -14.923 -3.816 -10.252 1.00 2.58 H new ATOM 0 HD22 LEU B 41 -15.768 -2.919 -8.969 1.00 2.58 H new ATOM 0 HD23 LEU B 41 -15.097 -2.049 -10.369 1.00 2.58 H new ATOM 2293 N VAL B 42 -12.964 -1.018 -4.985 1.00 0.71 N ATOM 2294 CA VAL B 42 -12.293 -1.360 -3.724 1.00 0.76 C ATOM 2295 C VAL B 42 -13.282 -1.915 -2.688 1.00 1.20 C ATOM 2296 O VAL B 42 -13.015 -2.929 -2.042 1.00 1.41 O ATOM 2297 CB VAL B 42 -11.461 -0.183 -3.164 1.00 0.87 C ATOM 2298 CG1 VAL B 42 -10.292 0.137 -4.095 1.00 1.34 C ATOM 2299 CG2 VAL B 42 -12.283 1.086 -2.915 1.00 1.89 C ATOM 0 H VAL B 42 -12.714 -0.098 -5.347 1.00 0.71 H new ATOM 0 HA VAL B 42 -11.584 -2.157 -3.948 1.00 0.76 H new ATOM 0 HB VAL B 42 -11.090 -0.514 -2.194 1.00 0.87 H new ATOM 0 HG11 VAL B 42 -9.717 0.968 -3.685 1.00 1.34 H new ATOM 0 HG12 VAL B 42 -9.649 -0.739 -4.186 1.00 1.34 H new ATOM 0 HG13 VAL B 42 -10.674 0.410 -5.078 1.00 1.34 H new ATOM 0 HG21 VAL B 42 -11.634 1.869 -2.523 1.00 1.89 H new ATOM 0 HG22 VAL B 42 -12.729 1.420 -3.852 1.00 1.89 H new ATOM 0 HG23 VAL B 42 -13.071 0.873 -2.193 1.00 1.89 H new ATOM 2309 N THR B 43 -14.451 -1.283 -2.564 1.00 1.50 N ATOM 2310 CA THR B 43 -15.477 -1.643 -1.597 1.00 1.89 C ATOM 2311 C THR B 43 -15.891 -3.111 -1.730 1.00 1.99 C ATOM 2312 O THR B 43 -16.302 -3.725 -0.747 1.00 2.20 O ATOM 2313 CB THR B 43 -16.670 -0.671 -1.714 1.00 2.22 C ATOM 2314 OG1 THR B 43 -17.266 -0.502 -0.444 1.00 2.74 O ATOM 2315 CG2 THR B 43 -17.776 -1.115 -2.686 1.00 2.56 C ATOM 0 H THR B 43 -14.712 -0.489 -3.149 1.00 1.50 H new ATOM 0 HA THR B 43 -15.066 -1.544 -0.592 1.00 1.89 H new ATOM 0 HB THR B 43 -16.245 0.252 -2.110 1.00 2.22 H new ATOM 0 HG1 THR B 43 -18.023 0.116 -0.517 1.00 2.74 H new ATOM 0 HG21 THR B 43 -18.570 -0.368 -2.700 1.00 2.56 H new ATOM 0 HG22 THR B 43 -17.359 -1.220 -3.688 1.00 2.56 H new ATOM 0 HG23 THR B 43 -18.184 -2.072 -2.361 1.00 2.56 H new ATOM 2323 N GLN B 44 -15.793 -3.674 -2.939 1.00 1.92 N ATOM 2324 CA GLN B 44 -16.204 -5.041 -3.196 1.00 2.05 C ATOM 2325 C GLN B 44 -15.275 -6.011 -2.465 1.00 1.99 C ATOM 2326 O GLN B 44 -15.750 -6.899 -1.761 1.00 2.12 O ATOM 2327 CB GLN B 44 -16.265 -5.273 -4.714 1.00 2.02 C ATOM 2328 CG GLN B 44 -16.823 -6.650 -5.097 1.00 3.87 C ATOM 2329 CD GLN B 44 -15.795 -7.781 -5.004 1.00 5.34 C ATOM 2330 OE1 GLN B 44 -14.588 -7.552 -4.994 1.00 6.03 O ATOM 2331 NE2 GLN B 44 -16.263 -9.024 -4.947 1.00 6.51 N ATOM 0 H GLN B 44 -15.427 -3.189 -3.758 1.00 1.92 H new ATOM 0 HA GLN B 44 -17.205 -5.226 -2.805 1.00 2.05 H new ATOM 0 HB2 GLN B 44 -16.884 -4.499 -5.168 1.00 2.02 H new ATOM 0 HB3 GLN B 44 -15.264 -5.166 -5.131 1.00 2.02 H new ATOM 0 HG2 GLN B 44 -17.666 -6.884 -4.447 1.00 3.87 H new ATOM 0 HG3 GLN B 44 -17.209 -6.605 -6.115 1.00 3.87 H new ATOM 0 HE21 GLN B 44 -17.269 -9.191 -4.957 1.00 6.51 H new ATOM 0 HE22 GLN B 44 -15.616 -9.811 -4.894 1.00 6.51 H new ATOM 2340 N GLN B 45 -13.960 -5.858 -2.655 1.00 1.83 N ATOM 2341 CA GLN B 45 -12.969 -6.731 -2.033 1.00 1.78 C ATOM 2342 C GLN B 45 -12.663 -6.326 -0.589 1.00 1.64 C ATOM 2343 O GLN B 45 -12.153 -7.156 0.165 1.00 1.59 O ATOM 2344 CB GLN B 45 -11.704 -6.920 -2.883 1.00 2.04 C ATOM 2345 CG GLN B 45 -11.029 -5.633 -3.354 1.00 1.26 C ATOM 2346 CD GLN B 45 -11.524 -5.075 -4.689 1.00 1.74 C ATOM 2347 OE1 GLN B 45 -10.907 -4.165 -5.234 1.00 2.81 O ATOM 2348 NE2 GLN B 45 -12.607 -5.598 -5.252 1.00 1.69 N ATOM 0 H GLN B 45 -13.558 -5.128 -3.242 1.00 1.83 H new ATOM 0 HA GLN B 45 -13.429 -7.718 -1.985 1.00 1.78 H new ATOM 0 HB2 GLN B 45 -10.982 -7.498 -2.305 1.00 2.04 H new ATOM 0 HB3 GLN B 45 -11.962 -7.516 -3.759 1.00 2.04 H new ATOM 0 HG2 GLN B 45 -11.168 -4.870 -2.588 1.00 1.26 H new ATOM 0 HG3 GLN B 45 -9.957 -5.814 -3.432 1.00 1.26 H new ATOM 0 HE21 GLN B 45 -13.109 -6.354 -4.787 1.00 1.69 H new ATOM 0 HE22 GLN B 45 -12.937 -5.244 -6.150 1.00 1.69 H new ATOM 2357 N LEU B 46 -12.980 -5.083 -0.201 1.00 1.59 N ATOM 2358 CA LEU B 46 -12.944 -4.623 1.184 1.00 1.44 C ATOM 2359 C LEU B 46 -14.350 -4.505 1.799 1.00 1.42 C ATOM 2360 O LEU B 46 -14.753 -3.408 2.185 1.00 1.44 O ATOM 2361 CB LEU B 46 -12.196 -3.278 1.270 1.00 1.45 C ATOM 2362 CG LEU B 46 -10.679 -3.328 1.008 1.00 1.51 C ATOM 2363 CD1 LEU B 46 -10.301 -2.668 -0.319 1.00 1.45 C ATOM 2364 CD2 LEU B 46 -9.955 -2.555 2.113 1.00 1.73 C ATOM 0 H LEU B 46 -13.273 -4.360 -0.857 1.00 1.59 H new ATOM 0 HA LEU B 46 -12.409 -5.372 1.767 1.00 1.44 H new ATOM 0 HB2 LEU B 46 -12.645 -2.589 0.554 1.00 1.45 H new ATOM 0 HB3 LEU B 46 -12.359 -2.858 2.262 1.00 1.45 H new ATOM 0 HG LEU B 46 -10.392 -4.379 0.981 1.00 1.51 H new ATOM 0 HD11 LEU B 46 -9.222 -2.727 -0.461 1.00 1.45 H new ATOM 0 HD12 LEU B 46 -10.803 -3.183 -1.138 1.00 1.45 H new ATOM 0 HD13 LEU B 46 -10.608 -1.622 -0.306 1.00 1.45 H new ATOM 0 HD21 LEU B 46 -8.880 -2.586 1.934 1.00 1.73 H new ATOM 0 HD22 LEU B 46 -10.293 -1.519 2.114 1.00 1.73 H new ATOM 0 HD23 LEU B 46 -10.175 -3.009 3.079 1.00 1.73 H new ATOM 2376 N PRO B 47 -15.104 -5.597 2.015 1.00 1.40 N ATOM 2377 CA PRO B 47 -16.437 -5.530 2.609 1.00 1.38 C ATOM 2378 C PRO B 47 -16.386 -5.340 4.137 1.00 1.51 C ATOM 2379 O PRO B 47 -17.227 -5.876 4.866 1.00 1.99 O ATOM 2380 CB PRO B 47 -17.086 -6.860 2.217 1.00 1.39 C ATOM 2381 CG PRO B 47 -15.901 -7.820 2.251 1.00 1.43 C ATOM 2382 CD PRO B 47 -14.776 -6.971 1.674 1.00 1.41 C ATOM 0 HA PRO B 47 -17.004 -4.670 2.251 1.00 1.38 H new ATOM 0 HB2 PRO B 47 -17.868 -7.153 2.918 1.00 1.39 H new ATOM 0 HB3 PRO B 47 -17.544 -6.814 1.229 1.00 1.39 H new ATOM 0 HG2 PRO B 47 -15.679 -8.155 3.264 1.00 1.43 H new ATOM 0 HG3 PRO B 47 -16.084 -8.713 1.653 1.00 1.43 H new ATOM 0 HD2 PRO B 47 -13.813 -7.259 2.095 1.00 1.41 H new ATOM 0 HD3 PRO B 47 -14.703 -7.099 0.594 1.00 1.41 H new ATOM 2390 N HIS B 48 -15.421 -4.573 4.651 1.00 1.27 N ATOM 2391 CA HIS B 48 -15.342 -4.290 6.074 1.00 1.30 C ATOM 2392 C HIS B 48 -16.331 -3.177 6.427 1.00 1.38 C ATOM 2393 O HIS B 48 -16.968 -3.255 7.473 1.00 1.99 O ATOM 2394 CB HIS B 48 -13.915 -3.935 6.493 1.00 1.40 C ATOM 2395 CG HIS B 48 -13.718 -3.961 7.992 1.00 1.59 C ATOM 2396 ND1 HIS B 48 -14.672 -3.709 8.959 1.00 2.72 N ATOM 2397 CD2 HIS B 48 -12.574 -4.338 8.639 1.00 2.46 C ATOM 2398 CE1 HIS B 48 -14.098 -3.900 10.158 1.00 3.46 C ATOM 2399 NE2 HIS B 48 -12.814 -4.265 10.012 1.00 3.14 N ATOM 0 H HIS B 48 -14.684 -4.139 4.095 1.00 1.27 H new ATOM 0 HA HIS B 48 -15.615 -5.187 6.630 1.00 1.30 H new ATOM 0 HB2 HIS B 48 -13.221 -4.635 6.028 1.00 1.40 H new ATOM 0 HB3 HIS B 48 -13.667 -2.943 6.116 1.00 1.40 H new ATOM 0 HD1 HIS B 48 -15.638 -3.428 8.792 1.00 2.72 H new ATOM 0 HD2 HIS B 48 -11.649 -4.639 8.171 1.00 2.46 H new ATOM 0 HE1 HIS B 48 -14.599 -3.777 11.107 1.00 3.46 H new ATOM 2407 N LEU B 49 -16.433 -2.128 5.597 1.00 1.70 N ATOM 2408 CA LEU B 49 -17.401 -1.046 5.792 1.00 1.82 C ATOM 2409 C LEU B 49 -17.344 -0.014 4.661 1.00 1.89 C ATOM 2410 O LEU B 49 -18.358 0.270 4.033 1.00 2.25 O ATOM 2411 CB LEU B 49 -17.206 -0.344 7.157 1.00 1.72 C ATOM 2412 CG LEU B 49 -18.492 -0.369 7.997 1.00 2.09 C ATOM 2413 CD1 LEU B 49 -18.195 0.113 9.421 1.00 2.06 C ATOM 2414 CD2 LEU B 49 -19.582 0.515 7.376 1.00 3.37 C ATOM 0 H LEU B 49 -15.845 -2.009 4.772 1.00 1.70 H new ATOM 0 HA LEU B 49 -18.387 -1.511 5.779 1.00 1.82 H new ATOM 0 HB2 LEU B 49 -16.402 -0.834 7.707 1.00 1.72 H new ATOM 0 HB3 LEU B 49 -16.897 0.689 6.994 1.00 1.72 H new ATOM 0 HG LEU B 49 -18.855 -1.396 8.022 1.00 2.09 H new ATOM 0 HD11 LEU B 49 -19.112 0.093 10.011 1.00 2.06 H new ATOM 0 HD12 LEU B 49 -17.454 -0.542 9.880 1.00 2.06 H new ATOM 0 HD13 LEU B 49 -17.808 1.131 9.387 1.00 2.06 H new ATOM 0 HD21 LEU B 49 -20.479 0.475 7.994 1.00 3.37 H new ATOM 0 HD22 LEU B 49 -19.227 1.544 7.318 1.00 3.37 H new ATOM 0 HD23 LEU B 49 -19.816 0.155 6.374 1.00 3.37 H new ATOM 2426 N LEU B 50 -16.161 0.578 4.468 1.00 1.64 N ATOM 2427 CA LEU B 50 -15.929 1.805 3.704 1.00 1.67 C ATOM 2428 C LEU B 50 -16.786 2.933 4.286 1.00 1.45 C ATOM 2429 O LEU B 50 -17.681 3.487 3.654 1.00 1.64 O ATOM 2430 CB LEU B 50 -16.079 1.622 2.182 1.00 2.30 C ATOM 2431 CG LEU B 50 -14.882 0.933 1.498 1.00 3.07 C ATOM 2432 CD1 LEU B 50 -13.621 1.803 1.419 1.00 4.82 C ATOM 2433 CD2 LEU B 50 -14.537 -0.404 2.149 1.00 3.22 C ATOM 0 H LEU B 50 -15.300 0.196 4.859 1.00 1.64 H new ATOM 0 HA LEU B 50 -14.882 2.088 3.815 1.00 1.67 H new ATOM 0 HB2 LEU B 50 -16.978 1.038 1.986 1.00 2.30 H new ATOM 0 HB3 LEU B 50 -16.229 2.600 1.725 1.00 2.30 H new ATOM 0 HG LEU B 50 -15.221 0.760 0.476 1.00 3.07 H new ATOM 0 HD11 LEU B 50 -12.825 1.246 0.925 1.00 4.82 H new ATOM 0 HD12 LEU B 50 -13.838 2.708 0.851 1.00 4.82 H new ATOM 0 HD13 LEU B 50 -13.303 2.074 2.425 1.00 4.82 H new ATOM 0 HD21 LEU B 50 -13.688 -0.852 1.633 1.00 3.22 H new ATOM 0 HD22 LEU B 50 -14.282 -0.244 3.196 1.00 3.22 H new ATOM 0 HD23 LEU B 50 -15.395 -1.073 2.083 1.00 3.22 H new ATOM 2445 N LYS B 51 -16.500 3.238 5.555 1.00 1.19 N ATOM 2446 CA LYS B 51 -17.143 4.295 6.326 1.00 1.18 C ATOM 2447 C LYS B 51 -16.756 5.695 5.837 1.00 1.08 C ATOM 2448 O LYS B 51 -17.512 6.640 6.038 1.00 1.19 O ATOM 2449 CB LYS B 51 -16.776 4.111 7.803 1.00 1.25 C ATOM 2450 CG LYS B 51 -15.267 4.294 8.057 1.00 1.16 C ATOM 2451 CD LYS B 51 -14.873 5.726 8.455 1.00 1.35 C ATOM 2452 CE LYS B 51 -14.914 5.961 9.969 1.00 1.65 C ATOM 2453 NZ LYS B 51 -16.286 5.878 10.512 1.00 3.08 N ATOM 0 H LYS B 51 -15.790 2.736 6.088 1.00 1.19 H new ATOM 0 HA LYS B 51 -18.222 4.216 6.192 1.00 1.18 H new ATOM 0 HB2 LYS B 51 -17.333 4.828 8.406 1.00 1.25 H new ATOM 0 HB3 LYS B 51 -17.079 3.116 8.129 1.00 1.25 H new ATOM 0 HG2 LYS B 51 -14.955 3.609 8.846 1.00 1.16 H new ATOM 0 HG3 LYS B 51 -14.720 4.014 7.157 1.00 1.16 H new ATOM 0 HD2 LYS B 51 -13.868 5.936 8.088 1.00 1.35 H new ATOM 0 HD3 LYS B 51 -15.545 6.431 7.965 1.00 1.35 H new ATOM 0 HE2 LYS B 51 -14.284 5.224 10.466 1.00 1.65 H new ATOM 0 HE3 LYS B 51 -14.495 6.942 10.194 1.00 1.65 H new ATOM 0 HZ1 LYS B 51 -16.281 6.159 11.513 1.00 3.08 H new ATOM 0 HZ2 LYS B 51 -16.910 6.515 9.977 1.00 3.08 H new ATOM 0 HZ3 LYS B 51 -16.634 4.901 10.429 1.00 3.08 H new ATOM 2467 N ASP B 52 -15.540 5.816 5.297 1.00 0.99 N ATOM 2468 CA ASP B 52 -15.060 6.875 4.427 1.00 0.96 C ATOM 2469 C ASP B 52 -15.439 8.297 4.840 1.00 0.96 C ATOM 2470 O ASP B 52 -16.447 8.838 4.390 1.00 1.17 O ATOM 2471 CB ASP B 52 -15.435 6.517 2.984 1.00 1.21 C ATOM 2472 CG ASP B 52 -14.793 5.213 2.515 1.00 1.64 C ATOM 2473 OD1 ASP B 52 -14.343 4.439 3.396 1.00 2.25 O ATOM 2474 OD2 ASP B 52 -14.795 5.007 1.283 1.00 2.54 O ATOM 0 H ASP B 52 -14.816 5.119 5.475 1.00 0.99 H new ATOM 0 HA ASP B 52 -13.975 6.918 4.522 1.00 0.96 H new ATOM 0 HB2 ASP B 52 -16.519 6.433 2.905 1.00 1.21 H new ATOM 0 HB3 ASP B 52 -15.129 7.327 2.322 1.00 1.21 H new ATOM 2479 N VAL B 53 -14.579 8.934 5.648 1.00 0.95 N ATOM 2480 CA VAL B 53 -14.716 10.339 5.992 1.00 1.06 C ATOM 2481 C VAL B 53 -13.355 10.979 6.280 1.00 1.13 C ATOM 2482 O VAL B 53 -12.463 10.325 6.832 1.00 1.65 O ATOM 2483 CB VAL B 53 -15.708 10.493 7.158 1.00 1.62 C ATOM 2484 CG1 VAL B 53 -15.155 9.926 8.470 1.00 2.55 C ATOM 2485 CG2 VAL B 53 -16.093 11.962 7.354 1.00 2.54 C ATOM 0 H VAL B 53 -13.772 8.481 6.077 1.00 0.95 H new ATOM 0 HA VAL B 53 -15.124 10.880 5.138 1.00 1.06 H new ATOM 0 HB VAL B 53 -16.595 9.918 6.892 1.00 1.62 H new ATOM 0 HG11 VAL B 53 -15.891 10.058 9.263 1.00 2.55 H new ATOM 0 HG12 VAL B 53 -14.942 8.864 8.346 1.00 2.55 H new ATOM 0 HG13 VAL B 53 -14.238 10.452 8.736 1.00 2.55 H new ATOM 0 HG21 VAL B 53 -16.795 12.047 8.184 1.00 2.54 H new ATOM 0 HG22 VAL B 53 -15.199 12.546 7.574 1.00 2.54 H new ATOM 0 HG23 VAL B 53 -16.559 12.340 6.444 1.00 2.54 H new ATOM 2495 N GLY B 54 -13.196 12.252 5.910 1.00 1.15 N ATOM 2496 CA GLY B 54 -12.017 13.058 6.165 1.00 1.46 C ATOM 2497 C GLY B 54 -11.066 12.910 4.990 1.00 1.34 C ATOM 2498 O GLY B 54 -10.859 13.836 4.211 1.00 1.69 O ATOM 0 H GLY B 54 -13.919 12.763 5.404 1.00 1.15 H new ATOM 0 HA2 GLY B 54 -12.295 14.104 6.297 1.00 1.46 H new ATOM 0 HA3 GLY B 54 -11.532 12.738 7.087 1.00 1.46 H new ATOM 2502 N SER B 55 -10.483 11.721 4.862 1.00 1.15 N ATOM 2503 CA SER B 55 -9.619 11.399 3.739 1.00 1.18 C ATOM 2504 C SER B 55 -10.433 11.006 2.506 1.00 1.11 C ATOM 2505 O SER B 55 -9.980 11.189 1.375 1.00 1.22 O ATOM 2506 CB SER B 55 -8.582 10.364 4.167 1.00 1.41 C ATOM 2507 OG SER B 55 -8.805 9.920 5.500 1.00 2.51 O ATOM 0 H SER B 55 -10.598 10.960 5.532 1.00 1.15 H new ATOM 0 HA SER B 55 -9.063 12.285 3.433 1.00 1.18 H new ATOM 0 HB2 SER B 55 -8.616 9.512 3.488 1.00 1.41 H new ATOM 0 HB3 SER B 55 -7.584 10.794 4.088 1.00 1.41 H new ATOM 0 HG SER B 55 -8.093 10.260 6.082 1.00 2.51 H new ATOM 2513 N LEU B 56 -11.670 10.549 2.723 1.00 1.00 N ATOM 2514 CA LEU B 56 -12.651 10.412 1.661 1.00 0.98 C ATOM 2515 C LEU B 56 -12.687 11.717 0.899 1.00 1.06 C ATOM 2516 O LEU B 56 -12.538 11.721 -0.314 1.00 1.08 O ATOM 2517 CB LEU B 56 -14.024 10.094 2.257 1.00 1.04 C ATOM 2518 CG LEU B 56 -15.198 10.010 1.259 1.00 1.48 C ATOM 2519 CD1 LEU B 56 -15.784 11.371 0.858 1.00 1.77 C ATOM 2520 CD2 LEU B 56 -14.871 9.172 0.014 1.00 2.38 C ATOM 0 H LEU B 56 -12.012 10.266 3.641 1.00 1.00 H new ATOM 0 HA LEU B 56 -12.384 9.596 0.990 1.00 0.98 H new ATOM 0 HB2 LEU B 56 -13.956 9.144 2.786 1.00 1.04 H new ATOM 0 HB3 LEU B 56 -14.260 10.856 3.000 1.00 1.04 H new ATOM 0 HG LEU B 56 -15.976 9.490 1.818 1.00 1.48 H new ATOM 0 HD11 LEU B 56 -16.603 11.221 0.155 1.00 1.77 H new ATOM 0 HD12 LEU B 56 -16.156 11.883 1.746 1.00 1.77 H new ATOM 0 HD13 LEU B 56 -15.009 11.977 0.388 1.00 1.77 H new ATOM 0 HD21 LEU B 56 -15.736 9.152 -0.648 1.00 2.38 H new ATOM 0 HD22 LEU B 56 -14.023 9.614 -0.510 1.00 2.38 H new ATOM 0 HD23 LEU B 56 -14.621 8.155 0.315 1.00 2.38 H new ATOM 2532 N ASP B 57 -12.863 12.821 1.620 1.00 1.20 N ATOM 2533 CA ASP B 57 -12.988 14.145 1.060 1.00 1.40 C ATOM 2534 C ASP B 57 -11.790 14.443 0.149 1.00 1.39 C ATOM 2535 O ASP B 57 -11.982 14.832 -1.004 1.00 1.51 O ATOM 2536 CB ASP B 57 -13.136 15.167 2.202 1.00 1.69 C ATOM 2537 CG ASP B 57 -14.189 14.772 3.242 1.00 3.46 C ATOM 2538 OD1 ASP B 57 -14.054 13.664 3.821 1.00 4.96 O ATOM 2539 OD2 ASP B 57 -15.114 15.586 3.441 1.00 4.13 O ATOM 0 H ASP B 57 -12.923 12.809 2.638 1.00 1.20 H new ATOM 0 HA ASP B 57 -13.881 14.214 0.439 1.00 1.40 H new ATOM 0 HB2 ASP B 57 -12.173 15.287 2.699 1.00 1.69 H new ATOM 0 HB3 ASP B 57 -13.400 16.137 1.780 1.00 1.69 H new ATOM 2544 N GLU B 58 -10.562 14.230 0.647 1.00 1.37 N ATOM 2545 CA GLU B 58 -9.336 14.333 -0.148 1.00 1.39 C ATOM 2546 C GLU B 58 -9.485 13.543 -1.455 1.00 1.20 C ATOM 2547 O GLU B 58 -9.329 14.074 -2.558 1.00 1.32 O ATOM 2548 CB GLU B 58 -8.111 13.791 0.618 1.00 1.40 C ATOM 2549 CG GLU B 58 -7.791 14.456 1.965 1.00 2.18 C ATOM 2550 CD GLU B 58 -6.664 13.702 2.668 1.00 3.67 C ATOM 2551 OE1 GLU B 58 -5.637 13.404 2.018 1.00 4.22 O ATOM 2552 OE2 GLU B 58 -6.815 13.330 3.854 1.00 4.99 O ATOM 0 H GLU B 58 -10.395 13.979 1.621 1.00 1.37 H new ATOM 0 HA GLU B 58 -9.178 15.390 -0.360 1.00 1.39 H new ATOM 0 HB2 GLU B 58 -8.262 12.726 0.792 1.00 1.40 H new ATOM 0 HB3 GLU B 58 -7.237 13.888 -0.026 1.00 1.40 H new ATOM 0 HG2 GLU B 58 -7.501 15.495 1.807 1.00 2.18 H new ATOM 0 HG3 GLU B 58 -8.681 14.466 2.595 1.00 2.18 H new ATOM 2559 N LYS B 59 -9.764 12.247 -1.313 1.00 1.03 N ATOM 2560 CA LYS B 59 -9.723 11.306 -2.416 1.00 0.99 C ATOM 2561 C LYS B 59 -10.793 11.655 -3.446 1.00 1.00 C ATOM 2562 O LYS B 59 -10.505 11.696 -4.636 1.00 1.07 O ATOM 2563 CB LYS B 59 -9.865 9.874 -1.882 1.00 0.94 C ATOM 2564 CG LYS B 59 -9.377 8.837 -2.909 1.00 0.78 C ATOM 2565 CD LYS B 59 -9.027 7.485 -2.274 1.00 0.86 C ATOM 2566 CE LYS B 59 -10.189 6.587 -1.851 1.00 1.10 C ATOM 2567 NZ LYS B 59 -10.974 7.206 -0.767 1.00 1.36 N ATOM 0 H LYS B 59 -10.025 11.825 -0.422 1.00 1.03 H new ATOM 0 HA LYS B 59 -8.760 11.371 -2.923 1.00 0.99 H new ATOM 0 HB2 LYS B 59 -9.294 9.770 -0.960 1.00 0.94 H new ATOM 0 HB3 LYS B 59 -10.908 9.679 -1.634 1.00 0.94 H new ATOM 0 HG2 LYS B 59 -10.150 8.689 -3.663 1.00 0.78 H new ATOM 0 HG3 LYS B 59 -8.500 9.229 -3.424 1.00 0.78 H new ATOM 0 HD2 LYS B 59 -8.412 6.929 -2.982 1.00 0.86 H new ATOM 0 HD3 LYS B 59 -8.410 7.675 -1.396 1.00 0.86 H new ATOM 0 HE2 LYS B 59 -10.835 6.396 -2.708 1.00 1.10 H new ATOM 0 HE3 LYS B 59 -9.805 5.622 -1.520 1.00 1.10 H new ATOM 0 HZ1 LYS B 59 -11.402 6.462 -0.179 1.00 1.36 H new ATOM 0 HZ2 LYS B 59 -10.350 7.795 -0.180 1.00 1.36 H new ATOM 0 HZ3 LYS B 59 -11.725 7.798 -1.176 1.00 1.36 H new ATOM 2581 N MET B 60 -12.022 11.913 -3.000 1.00 0.98 N ATOM 2582 CA MET B 60 -13.166 12.245 -3.831 1.00 1.02 C ATOM 2583 C MET B 60 -12.800 13.359 -4.803 1.00 1.07 C ATOM 2584 O MET B 60 -13.075 13.246 -5.992 1.00 1.08 O ATOM 2585 CB MET B 60 -14.360 12.638 -2.952 1.00 1.10 C ATOM 2586 CG MET B 60 -15.670 12.687 -3.758 1.00 1.16 C ATOM 2587 SD MET B 60 -16.714 14.144 -3.497 1.00 2.05 S ATOM 2588 CE MET B 60 -15.709 15.412 -4.304 1.00 3.42 C ATOM 0 H MET B 60 -12.251 11.894 -2.006 1.00 0.98 H new ATOM 0 HA MET B 60 -13.453 11.371 -4.415 1.00 1.02 H new ATOM 0 HB2 MET B 60 -14.462 11.923 -2.136 1.00 1.10 H new ATOM 0 HB3 MET B 60 -14.174 13.613 -2.501 1.00 1.10 H new ATOM 0 HG2 MET B 60 -15.423 12.628 -4.818 1.00 1.16 H new ATOM 0 HG3 MET B 60 -16.254 11.799 -3.517 1.00 1.16 H new ATOM 0 HE1 MET B 60 -16.213 16.376 -4.232 1.00 3.42 H new ATOM 0 HE2 MET B 60 -14.738 15.473 -3.813 1.00 3.42 H new ATOM 0 HE3 MET B 60 -15.570 15.153 -5.353 1.00 3.42 H new ATOM 2598 N LYS B 61 -12.154 14.417 -4.304 1.00 1.14 N ATOM 2599 CA LYS B 61 -11.685 15.500 -5.161 1.00 1.27 C ATOM 2600 C LYS B 61 -10.705 14.929 -6.186 1.00 1.22 C ATOM 2601 O LYS B 61 -10.887 15.073 -7.392 1.00 1.24 O ATOM 2602 CB LYS B 61 -10.983 16.571 -4.323 1.00 1.49 C ATOM 2603 CG LYS B 61 -11.871 17.170 -3.226 1.00 1.88 C ATOM 2604 CD LYS B 61 -10.939 17.584 -2.082 1.00 1.76 C ATOM 2605 CE LYS B 61 -11.674 18.182 -0.874 1.00 2.46 C ATOM 2606 NZ LYS B 61 -12.445 19.393 -1.213 1.00 2.66 N ATOM 0 H LYS B 61 -11.946 14.543 -3.313 1.00 1.14 H new ATOM 0 HA LYS B 61 -12.535 15.955 -5.669 1.00 1.27 H new ATOM 0 HB2 LYS B 61 -10.095 16.137 -3.864 1.00 1.49 H new ATOM 0 HB3 LYS B 61 -10.643 17.371 -4.981 1.00 1.49 H new ATOM 0 HG2 LYS B 61 -12.426 18.029 -3.603 1.00 1.88 H new ATOM 0 HG3 LYS B 61 -12.606 16.442 -2.882 1.00 1.88 H new ATOM 0 HD2 LYS B 61 -10.370 16.714 -1.756 1.00 1.76 H new ATOM 0 HD3 LYS B 61 -10.220 18.313 -2.456 1.00 1.76 H new ATOM 0 HE2 LYS B 61 -12.348 17.433 -0.458 1.00 2.46 H new ATOM 0 HE3 LYS B 61 -10.949 18.425 -0.097 1.00 2.46 H new ATOM 0 HZ1 LYS B 61 -12.892 19.772 -0.354 1.00 2.66 H new ATOM 0 HZ2 LYS B 61 -11.807 20.109 -1.616 1.00 2.66 H new ATOM 0 HZ3 LYS B 61 -13.180 19.153 -1.909 1.00 2.66 H new ATOM 2620 N SER B 62 -9.659 14.272 -5.679 1.00 1.23 N ATOM 2621 CA SER B 62 -8.626 13.651 -6.502 1.00 1.27 C ATOM 2622 C SER B 62 -9.224 12.795 -7.629 1.00 1.25 C ATOM 2623 O SER B 62 -8.708 12.814 -8.743 1.00 1.38 O ATOM 2624 CB SER B 62 -7.656 12.834 -5.634 1.00 1.29 C ATOM 2625 OG SER B 62 -6.463 12.560 -6.346 1.00 1.55 O ATOM 0 H SER B 62 -9.507 14.157 -4.677 1.00 1.23 H new ATOM 0 HA SER B 62 -8.063 14.453 -6.980 1.00 1.27 H new ATOM 0 HB2 SER B 62 -7.424 13.384 -4.722 1.00 1.29 H new ATOM 0 HB3 SER B 62 -8.129 11.900 -5.331 1.00 1.29 H new ATOM 0 HG SER B 62 -5.856 12.041 -5.779 1.00 1.55 H new ATOM 2631 N LEU B 63 -10.290 12.040 -7.347 1.00 1.16 N ATOM 2632 CA LEU B 63 -11.013 11.292 -8.363 1.00 1.18 C ATOM 2633 C LEU B 63 -11.700 12.276 -9.307 1.00 1.24 C ATOM 2634 O LEU B 63 -11.435 12.260 -10.507 1.00 1.35 O ATOM 2635 CB LEU B 63 -12.011 10.287 -7.749 1.00 1.19 C ATOM 2636 CG LEU B 63 -11.441 9.060 -7.006 1.00 1.25 C ATOM 2637 CD1 LEU B 63 -9.934 9.064 -6.705 1.00 1.19 C ATOM 2638 CD2 LEU B 63 -12.196 8.903 -5.686 1.00 1.64 C ATOM 0 H LEU B 63 -10.671 11.934 -6.407 1.00 1.16 H new ATOM 0 HA LEU B 63 -10.303 10.690 -8.930 1.00 1.18 H new ATOM 0 HB2 LEU B 63 -12.648 10.832 -7.053 1.00 1.19 H new ATOM 0 HB3 LEU B 63 -12.654 9.923 -8.551 1.00 1.19 H new ATOM 0 HG LEU B 63 -11.581 8.229 -7.697 1.00 1.25 H new ATOM 0 HD11 LEU B 63 -9.665 8.147 -6.181 1.00 1.19 H new ATOM 0 HD12 LEU B 63 -9.376 9.125 -7.640 1.00 1.19 H new ATOM 0 HD13 LEU B 63 -9.690 9.923 -6.080 1.00 1.19 H new ATOM 0 HD21 LEU B 63 -11.808 8.040 -5.145 1.00 1.64 H new ATOM 0 HD22 LEU B 63 -12.063 9.800 -5.082 1.00 1.64 H new ATOM 0 HD23 LEU B 63 -13.257 8.757 -5.889 1.00 1.64 H new ATOM 2650 N ASP B 64 -12.569 13.129 -8.760 1.00 1.21 N ATOM 2651 CA ASP B 64 -13.426 14.049 -9.501 1.00 1.27 C ATOM 2652 C ASP B 64 -12.672 14.771 -10.623 1.00 1.30 C ATOM 2653 O ASP B 64 -13.139 14.779 -11.761 1.00 1.37 O ATOM 2654 CB ASP B 64 -14.064 15.043 -8.526 1.00 1.29 C ATOM 2655 CG ASP B 64 -14.959 16.033 -9.251 1.00 1.44 C ATOM 2656 OD1 ASP B 64 -16.105 15.639 -9.553 1.00 1.81 O ATOM 2657 OD2 ASP B 64 -14.482 17.166 -9.470 1.00 1.94 O ATOM 0 H ASP B 64 -12.698 13.198 -7.751 1.00 1.21 H new ATOM 0 HA ASP B 64 -14.210 13.470 -9.989 1.00 1.27 H new ATOM 0 HB2 ASP B 64 -14.647 14.501 -7.781 1.00 1.29 H new ATOM 0 HB3 ASP B 64 -13.283 15.581 -7.990 1.00 1.29 H new ATOM 2662 N VAL B 65 -11.484 15.301 -10.302 1.00 1.29 N ATOM 2663 CA VAL B 65 -10.650 16.123 -11.188 1.00 1.37 C ATOM 2664 C VAL B 65 -10.678 15.628 -12.633 1.00 1.34 C ATOM 2665 O VAL B 65 -11.035 16.368 -13.545 1.00 1.54 O ATOM 2666 CB VAL B 65 -9.200 16.120 -10.667 1.00 1.36 C ATOM 2667 CG1 VAL B 65 -8.173 16.650 -11.678 1.00 1.69 C ATOM 2668 CG2 VAL B 65 -9.104 16.993 -9.424 1.00 1.85 C ATOM 0 H VAL B 65 -11.062 15.164 -9.384 1.00 1.29 H new ATOM 0 HA VAL B 65 -11.055 17.135 -11.183 1.00 1.37 H new ATOM 0 HB VAL B 65 -8.963 15.076 -10.463 1.00 1.36 H new ATOM 0 HG11 VAL B 65 -7.177 16.616 -11.237 1.00 1.69 H new ATOM 0 HG12 VAL B 65 -8.194 16.032 -12.576 1.00 1.69 H new ATOM 0 HG13 VAL B 65 -8.418 17.679 -11.940 1.00 1.69 H new ATOM 0 HG21 VAL B 65 -8.078 16.990 -9.056 1.00 1.85 H new ATOM 0 HG22 VAL B 65 -9.398 18.013 -9.672 1.00 1.85 H new ATOM 0 HG23 VAL B 65 -9.767 16.602 -8.653 1.00 1.85 H new ATOM 2678 N ASN B 66 -10.253 14.381 -12.829 1.00 1.16 N ATOM 2679 CA ASN B 66 -10.287 13.727 -14.139 1.00 1.13 C ATOM 2680 C ASN B 66 -10.538 12.232 -13.971 1.00 1.08 C ATOM 2681 O ASN B 66 -9.759 11.396 -14.433 1.00 1.06 O ATOM 2682 CB ASN B 66 -8.997 14.003 -14.937 1.00 1.10 C ATOM 2683 CG ASN B 66 -8.998 15.373 -15.609 1.00 1.55 C ATOM 2684 OD1 ASN B 66 -9.785 15.621 -16.517 1.00 2.08 O ATOM 2685 ND2 ASN B 66 -8.094 16.264 -15.213 1.00 2.73 N ATOM 0 H ASN B 66 -9.875 13.794 -12.085 1.00 1.16 H new ATOM 0 HA ASN B 66 -11.111 14.147 -14.716 1.00 1.13 H new ATOM 0 HB2 ASN B 66 -8.139 13.932 -14.268 1.00 1.10 H new ATOM 0 HB3 ASN B 66 -8.873 13.231 -15.697 1.00 1.10 H new ATOM 0 HD21 ASN B 66 -8.044 17.176 -15.666 1.00 2.73 H new ATOM 0 HD22 ASN B 66 -7.450 16.035 -14.456 1.00 2.73 H new ATOM 2692 N GLN B 67 -11.666 11.888 -13.345 1.00 1.18 N ATOM 2693 CA GLN B 67 -11.982 10.503 -13.024 1.00 1.24 C ATOM 2694 C GLN B 67 -11.986 9.570 -14.232 1.00 1.37 C ATOM 2695 O GLN B 67 -11.741 8.375 -14.092 1.00 1.49 O ATOM 2696 CB GLN B 67 -13.325 10.391 -12.307 1.00 1.43 C ATOM 2697 CG GLN B 67 -14.485 11.087 -13.048 1.00 1.60 C ATOM 2698 CD GLN B 67 -15.494 10.088 -13.608 1.00 1.92 C ATOM 2699 OE1 GLN B 67 -16.418 9.693 -12.906 1.00 2.91 O ATOM 2700 NE2 GLN B 67 -15.335 9.655 -14.853 1.00 2.63 N ATOM 0 H GLN B 67 -12.377 12.558 -13.051 1.00 1.18 H new ATOM 0 HA GLN B 67 -11.175 10.180 -12.366 1.00 1.24 H new ATOM 0 HB2 GLN B 67 -13.570 9.337 -12.176 1.00 1.43 H new ATOM 0 HB3 GLN B 67 -13.232 10.823 -11.310 1.00 1.43 H new ATOM 0 HG2 GLN B 67 -14.992 11.769 -12.366 1.00 1.60 H new ATOM 0 HG3 GLN B 67 -14.084 11.690 -13.862 1.00 1.60 H new ATOM 0 HE21 GLN B 67 -14.558 9.999 -15.417 1.00 2.63 H new ATOM 0 HE22 GLN B 67 -15.990 8.979 -15.245 1.00 2.63 H new ATOM 2709 N ASP B 68 -12.319 10.125 -15.398 1.00 1.42 N ATOM 2710 CA ASP B 68 -12.394 9.402 -16.655 1.00 1.52 C ATOM 2711 C ASP B 68 -11.067 8.707 -16.990 1.00 1.51 C ATOM 2712 O ASP B 68 -11.049 7.680 -17.662 1.00 1.73 O ATOM 2713 CB ASP B 68 -12.790 10.407 -17.740 1.00 1.50 C ATOM 2714 CG ASP B 68 -12.865 9.751 -19.110 1.00 1.81 C ATOM 2715 OD1 ASP B 68 -13.891 9.081 -19.354 1.00 2.78 O ATOM 2716 OD2 ASP B 68 -11.909 9.961 -19.886 1.00 2.84 O ATOM 0 H ASP B 68 -12.549 11.115 -15.490 1.00 1.42 H new ATOM 0 HA ASP B 68 -13.138 8.608 -16.586 1.00 1.52 H new ATOM 0 HB2 ASP B 68 -13.756 10.848 -17.494 1.00 1.50 H new ATOM 0 HB3 ASP B 68 -12.065 11.221 -17.765 1.00 1.50 H new ATOM 2721 N SER B 69 -9.952 9.257 -16.492 1.00 1.36 N ATOM 2722 CA SER B 69 -8.625 8.694 -16.686 1.00 1.44 C ATOM 2723 C SER B 69 -8.541 7.226 -16.244 1.00 1.70 C ATOM 2724 O SER B 69 -9.397 6.698 -15.531 1.00 3.04 O ATOM 2725 CB SER B 69 -7.607 9.558 -15.921 1.00 1.40 C ATOM 2726 OG SER B 69 -6.272 9.130 -16.136 1.00 2.02 O ATOM 0 H SER B 69 -9.954 10.114 -15.939 1.00 1.36 H new ATOM 0 HA SER B 69 -8.397 8.703 -17.752 1.00 1.44 H new ATOM 0 HB2 SER B 69 -7.708 10.597 -16.233 1.00 1.40 H new ATOM 0 HB3 SER B 69 -7.831 9.522 -14.855 1.00 1.40 H new ATOM 0 HG SER B 69 -6.065 8.387 -15.531 1.00 2.02 H new ATOM 2732 N GLU B 70 -7.434 6.589 -16.624 1.00 0.89 N ATOM 2733 CA GLU B 70 -6.967 5.382 -15.968 1.00 0.85 C ATOM 2734 C GLU B 70 -6.231 5.764 -14.693 1.00 0.86 C ATOM 2735 O GLU B 70 -5.775 6.899 -14.534 1.00 1.08 O ATOM 2736 CB GLU B 70 -6.012 4.609 -16.882 1.00 0.92 C ATOM 2737 CG GLU B 70 -6.798 3.935 -18.004 1.00 1.49 C ATOM 2738 CD GLU B 70 -5.876 3.357 -19.064 1.00 1.92 C ATOM 2739 OE1 GLU B 70 -4.847 3.992 -19.391 1.00 2.79 O ATOM 2740 OE2 GLU B 70 -6.141 2.231 -19.539 1.00 2.62 O ATOM 0 H GLU B 70 -6.841 6.899 -17.394 1.00 0.89 H new ATOM 0 HA GLU B 70 -7.825 4.750 -15.738 1.00 0.85 H new ATOM 0 HB2 GLU B 70 -5.269 5.287 -17.303 1.00 0.92 H new ATOM 0 HB3 GLU B 70 -5.469 3.860 -16.305 1.00 0.92 H new ATOM 0 HG2 GLU B 70 -7.418 3.141 -17.588 1.00 1.49 H new ATOM 0 HG3 GLU B 70 -7.472 4.659 -18.463 1.00 1.49 H new ATOM 2747 N LEU B 71 -6.068 4.766 -13.835 1.00 0.82 N ATOM 2748 CA LEU B 71 -5.095 4.750 -12.759 1.00 0.80 C ATOM 2749 C LEU B 71 -3.929 3.862 -13.184 1.00 0.76 C ATOM 2750 O LEU B 71 -4.104 2.921 -13.957 1.00 0.88 O ATOM 2751 CB LEU B 71 -5.719 4.175 -11.479 1.00 1.01 C ATOM 2752 CG LEU B 71 -6.736 5.095 -10.800 1.00 1.69 C ATOM 2753 CD1 LEU B 71 -7.405 4.317 -9.662 1.00 2.11 C ATOM 2754 CD2 LEU B 71 -6.071 6.353 -10.227 1.00 2.95 C ATOM 0 H LEU B 71 -6.631 3.917 -13.873 1.00 0.82 H new ATOM 0 HA LEU B 71 -4.758 5.767 -12.558 1.00 0.80 H new ATOM 0 HB2 LEU B 71 -6.207 3.231 -11.720 1.00 1.01 H new ATOM 0 HB3 LEU B 71 -4.922 3.950 -10.771 1.00 1.01 H new ATOM 0 HG LEU B 71 -7.467 5.414 -11.543 1.00 1.69 H new ATOM 0 HD11 LEU B 71 -8.135 4.956 -9.164 1.00 2.11 H new ATOM 0 HD12 LEU B 71 -7.908 3.439 -10.068 1.00 2.11 H new ATOM 0 HD13 LEU B 71 -6.649 4.002 -8.943 1.00 2.11 H new ATOM 0 HD21 LEU B 71 -6.826 6.980 -9.753 1.00 2.95 H new ATOM 0 HD22 LEU B 71 -5.323 6.065 -9.488 1.00 2.95 H new ATOM 0 HD23 LEU B 71 -5.590 6.909 -11.032 1.00 2.95 H new ATOM 2766 N LYS B 72 -2.750 4.141 -12.636 1.00 0.78 N ATOM 2767 CA LYS B 72 -1.576 3.288 -12.674 1.00 0.84 C ATOM 2768 C LYS B 72 -1.302 2.791 -11.251 1.00 0.84 C ATOM 2769 O LYS B 72 -1.867 3.314 -10.289 1.00 0.77 O ATOM 2770 CB LYS B 72 -0.394 4.085 -13.240 1.00 0.88 C ATOM 2771 CG LYS B 72 -0.707 4.578 -14.662 1.00 1.12 C ATOM 2772 CD LYS B 72 0.197 5.748 -15.082 1.00 1.73 C ATOM 2773 CE LYS B 72 -0.616 6.824 -15.817 1.00 2.60 C ATOM 2774 NZ LYS B 72 -1.520 7.565 -14.906 1.00 3.71 N ATOM 0 H LYS B 72 -2.584 5.011 -12.130 1.00 0.78 H new ATOM 0 HA LYS B 72 -1.731 2.424 -13.321 1.00 0.84 H new ATOM 0 HB2 LYS B 72 -0.179 4.936 -12.593 1.00 0.88 H new ATOM 0 HB3 LYS B 72 0.499 3.461 -13.254 1.00 0.88 H new ATOM 0 HG2 LYS B 72 -0.584 3.755 -15.366 1.00 1.12 H new ATOM 0 HG3 LYS B 72 -1.750 4.889 -14.716 1.00 1.12 H new ATOM 0 HD2 LYS B 72 0.672 6.182 -14.202 1.00 1.73 H new ATOM 0 HD3 LYS B 72 0.996 5.384 -15.728 1.00 1.73 H new ATOM 0 HE2 LYS B 72 0.065 7.525 -16.299 1.00 2.60 H new ATOM 0 HE3 LYS B 72 -1.203 6.356 -16.607 1.00 2.60 H new ATOM 0 HZ1 LYS B 72 -2.199 8.119 -15.466 1.00 3.71 H new ATOM 0 HZ2 LYS B 72 -2.035 6.891 -14.304 1.00 3.71 H new ATOM 0 HZ3 LYS B 72 -0.961 8.206 -14.307 1.00 3.71 H new ATOM 2788 N PHE B 73 -0.445 1.779 -11.106 1.00 0.96 N ATOM 2789 CA PHE B 73 -0.196 1.112 -9.831 1.00 1.00 C ATOM 2790 C PHE B 73 0.127 2.106 -8.708 1.00 0.88 C ATOM 2791 O PHE B 73 -0.421 1.999 -7.615 1.00 0.83 O ATOM 2792 CB PHE B 73 0.889 0.034 -9.985 1.00 1.24 C ATOM 2793 CG PHE B 73 2.202 0.529 -10.563 1.00 0.88 C ATOM 2794 CD1 PHE B 73 3.178 1.102 -9.725 1.00 2.30 C ATOM 2795 CD2 PHE B 73 2.412 0.496 -11.955 1.00 2.08 C ATOM 2796 CE1 PHE B 73 4.309 1.722 -10.284 1.00 3.30 C ATOM 2797 CE2 PHE B 73 3.554 1.095 -12.511 1.00 2.57 C ATOM 2798 CZ PHE B 73 4.499 1.719 -11.676 1.00 2.94 C ATOM 0 H PHE B 73 0.100 1.397 -11.879 1.00 0.96 H new ATOM 0 HA PHE B 73 -1.118 0.613 -9.533 1.00 1.00 H new ATOM 0 HB2 PHE B 73 1.083 -0.409 -9.008 1.00 1.24 H new ATOM 0 HB3 PHE B 73 0.504 -0.760 -10.624 1.00 1.24 H new ATOM 0 HD1 PHE B 73 3.058 1.065 -8.652 1.00 2.30 H new ATOM 0 HD2 PHE B 73 1.693 0.009 -12.597 1.00 2.08 H new ATOM 0 HE1 PHE B 73 5.033 2.202 -9.642 1.00 3.30 H new ATOM 0 HE2 PHE B 73 3.707 1.077 -13.580 1.00 2.57 H new ATOM 0 HZ PHE B 73 5.369 2.195 -12.104 1.00 2.94 H new ATOM 2808 N ASN B 74 0.997 3.084 -8.972 1.00 0.94 N ATOM 2809 CA ASN B 74 1.380 4.097 -7.990 1.00 0.96 C ATOM 2810 C ASN B 74 0.186 4.956 -7.556 1.00 0.83 C ATOM 2811 O ASN B 74 0.064 5.341 -6.393 1.00 0.81 O ATOM 2812 CB ASN B 74 2.468 4.995 -8.579 1.00 1.17 C ATOM 2813 CG ASN B 74 2.806 6.119 -7.604 1.00 1.47 C ATOM 2814 OD1 ASN B 74 3.432 5.883 -6.580 1.00 2.75 O ATOM 2815 ND2 ASN B 74 2.403 7.349 -7.910 1.00 1.92 N ATOM 0 H ASN B 74 1.456 3.194 -9.876 1.00 0.94 H new ATOM 0 HA ASN B 74 1.755 3.579 -7.107 1.00 0.96 H new ATOM 0 HB2 ASN B 74 3.361 4.406 -8.791 1.00 1.17 H new ATOM 0 HB3 ASN B 74 2.130 5.415 -9.527 1.00 1.17 H new ATOM 0 HD21 ASN B 74 2.615 8.126 -7.283 1.00 1.92 H new ATOM 0 HD22 ASN B 74 1.882 7.516 -8.771 1.00 1.92 H new ATOM 2822 N GLU B 75 -0.672 5.290 -8.517 1.00 0.84 N ATOM 2823 CA GLU B 75 -1.787 6.198 -8.329 1.00 0.82 C ATOM 2824 C GLU B 75 -2.850 5.475 -7.501 1.00 0.75 C ATOM 2825 O GLU B 75 -3.296 5.971 -6.466 1.00 0.78 O ATOM 2826 CB GLU B 75 -2.286 6.644 -9.709 1.00 0.99 C ATOM 2827 CG GLU B 75 -1.139 7.302 -10.502 1.00 1.61 C ATOM 2828 CD GLU B 75 -1.463 7.523 -11.968 1.00 2.71 C ATOM 2829 OE1 GLU B 75 -2.275 6.755 -12.536 1.00 3.82 O ATOM 2830 OE2 GLU B 75 -0.832 8.407 -12.586 1.00 3.38 O ATOM 0 H GLU B 75 -0.605 4.926 -9.467 1.00 0.84 H new ATOM 0 HA GLU B 75 -1.506 7.100 -7.785 1.00 0.82 H new ATOM 0 HB2 GLU B 75 -2.673 5.786 -10.259 1.00 0.99 H new ATOM 0 HB3 GLU B 75 -3.110 7.348 -9.596 1.00 0.99 H new ATOM 0 HG2 GLU B 75 -0.895 8.260 -10.044 1.00 1.61 H new ATOM 0 HG3 GLU B 75 -0.250 6.676 -10.425 1.00 1.61 H new ATOM 2837 N TYR B 76 -3.181 4.250 -7.920 1.00 0.72 N ATOM 2838 CA TYR B 76 -3.882 3.279 -7.092 1.00 0.70 C ATOM 2839 C TYR B 76 -3.300 3.292 -5.675 1.00 0.66 C ATOM 2840 O TYR B 76 -4.044 3.427 -4.706 1.00 0.64 O ATOM 2841 CB TYR B 76 -3.775 1.901 -7.762 1.00 0.79 C ATOM 2842 CG TYR B 76 -4.067 0.690 -6.892 1.00 1.04 C ATOM 2843 CD1 TYR B 76 -3.088 0.219 -5.994 1.00 1.83 C ATOM 2844 CD2 TYR B 76 -5.169 -0.132 -7.191 1.00 1.91 C ATOM 2845 CE1 TYR B 76 -3.304 -0.957 -5.263 1.00 2.16 C ATOM 2846 CE2 TYR B 76 -5.329 -1.367 -6.538 1.00 2.16 C ATOM 2847 CZ TYR B 76 -4.411 -1.763 -5.552 1.00 1.86 C ATOM 2848 OH TYR B 76 -4.573 -2.939 -4.892 1.00 2.27 O ATOM 0 H TYR B 76 -2.965 3.906 -8.856 1.00 0.72 H new ATOM 0 HA TYR B 76 -4.939 3.531 -7.001 1.00 0.70 H new ATOM 0 HB2 TYR B 76 -4.459 1.882 -8.611 1.00 0.79 H new ATOM 0 HB3 TYR B 76 -2.767 1.796 -8.163 1.00 0.79 H new ATOM 0 HD1 TYR B 76 -2.166 0.768 -5.869 1.00 1.83 H new ATOM 0 HD2 TYR B 76 -5.895 0.187 -7.925 1.00 1.91 H new ATOM 0 HE1 TYR B 76 -2.618 -1.241 -4.479 1.00 2.16 H new ATOM 0 HE2 TYR B 76 -6.157 -2.011 -6.795 1.00 2.16 H new ATOM 0 HH TYR B 76 -4.181 -2.868 -3.996 1.00 2.27 H new ATOM 2858 N TRP B 77 -1.974 3.164 -5.560 1.00 0.67 N ATOM 2859 CA TRP B 77 -1.296 3.015 -4.288 1.00 0.69 C ATOM 2860 C TRP B 77 -1.731 4.063 -3.273 1.00 0.66 C ATOM 2861 O TRP B 77 -2.403 3.745 -2.293 1.00 0.67 O ATOM 2862 CB TRP B 77 0.218 3.036 -4.500 1.00 0.74 C ATOM 2863 CG TRP B 77 0.885 2.082 -3.613 1.00 0.66 C ATOM 2864 CD1 TRP B 77 1.223 2.346 -2.347 1.00 0.68 C ATOM 2865 CD2 TRP B 77 1.341 0.741 -3.906 1.00 0.60 C ATOM 2866 NE1 TRP B 77 1.777 1.218 -1.792 1.00 0.63 N ATOM 2867 CE2 TRP B 77 1.953 0.224 -2.733 1.00 0.59 C ATOM 2868 CE3 TRP B 77 1.348 -0.064 -5.061 1.00 0.61 C ATOM 2869 CZ2 TRP B 77 2.574 -1.031 -2.715 1.00 0.60 C ATOM 2870 CZ3 TRP B 77 1.964 -1.323 -5.038 1.00 0.60 C ATOM 2871 CH2 TRP B 77 2.584 -1.796 -3.883 1.00 0.61 C ATOM 0 H TRP B 77 -1.343 3.162 -6.362 1.00 0.67 H new ATOM 0 HA TRP B 77 -1.580 2.050 -3.869 1.00 0.69 H new ATOM 0 HB2 TRP B 77 0.447 2.794 -5.538 1.00 0.74 H new ATOM 0 HB3 TRP B 77 0.601 4.040 -4.315 1.00 0.74 H new ATOM 0 HD1 TRP B 77 1.083 3.291 -1.843 1.00 0.68 H new ATOM 0 HE1 TRP B 77 2.027 1.127 -0.807 1.00 0.63 H new ATOM 0 HE3 TRP B 77 0.878 0.289 -5.967 1.00 0.61 H new ATOM 0 HZ2 TRP B 77 3.038 -1.401 -1.812 1.00 0.60 H new ATOM 0 HZ3 TRP B 77 1.958 -1.935 -5.928 1.00 0.60 H new ATOM 0 HH2 TRP B 77 3.074 -2.758 -3.891 1.00 0.61 H new ATOM 2882 N ARG B 78 -1.343 5.318 -3.499 1.00 0.65 N ATOM 2883 CA ARG B 78 -1.756 6.416 -2.649 1.00 0.65 C ATOM 2884 C ARG B 78 -3.278 6.437 -2.419 1.00 0.69 C ATOM 2885 O ARG B 78 -3.687 6.723 -1.300 1.00 0.72 O ATOM 2886 CB ARG B 78 -1.235 7.739 -3.210 1.00 0.65 C ATOM 2887 CG ARG B 78 -1.815 8.110 -4.578 1.00 1.59 C ATOM 2888 CD ARG B 78 -1.260 9.461 -5.045 1.00 1.60 C ATOM 2889 NE ARG B 78 -1.412 10.543 -4.048 1.00 2.39 N ATOM 2890 CZ ARG B 78 -2.538 10.876 -3.392 1.00 4.20 C ATOM 2891 NH1 ARG B 78 -3.734 10.454 -3.799 1.00 5.49 N ATOM 2892 NH2 ARG B 78 -2.481 11.614 -2.282 1.00 5.56 N ATOM 0 H ARG B 78 -0.738 5.593 -4.273 1.00 0.65 H new ATOM 0 HA ARG B 78 -1.312 6.268 -1.665 1.00 0.65 H new ATOM 0 HB2 ARG B 78 -1.463 8.536 -2.502 1.00 0.65 H new ATOM 0 HB3 ARG B 78 -0.149 7.685 -3.290 1.00 0.65 H new ATOM 0 HG2 ARG B 78 -1.569 7.337 -5.306 1.00 1.59 H new ATOM 0 HG3 ARG B 78 -2.902 8.157 -4.518 1.00 1.59 H new ATOM 0 HD2 ARG B 78 -0.203 9.346 -5.285 1.00 1.60 H new ATOM 0 HD3 ARG B 78 -1.766 9.753 -5.965 1.00 1.60 H new ATOM 0 HE ARG B 78 -0.579 11.092 -3.837 1.00 2.39 H new ATOM 0 HH11 ARG B 78 -3.812 9.863 -4.627 1.00 5.49 H new ATOM 0 HH12 ARG B 78 -4.572 10.722 -3.283 1.00 5.49 H new ATOM 0 HH21 ARG B 78 -1.579 11.930 -1.925 1.00 5.56 H new ATOM 0 HH22 ARG B 78 -3.339 11.862 -1.790 1.00 5.56 H new ATOM 2906 N LEU B 79 -4.119 6.119 -3.419 1.00 0.70 N ATOM 2907 CA LEU B 79 -5.570 6.061 -3.204 1.00 0.73 C ATOM 2908 C LEU B 79 -5.931 5.013 -2.144 1.00 0.66 C ATOM 2909 O LEU B 79 -6.737 5.303 -1.260 1.00 0.68 O ATOM 2910 CB LEU B 79 -6.362 5.821 -4.505 1.00 0.80 C ATOM 2911 CG LEU B 79 -6.752 7.077 -5.316 1.00 1.01 C ATOM 2912 CD1 LEU B 79 -5.671 8.156 -5.414 1.00 1.20 C ATOM 2913 CD2 LEU B 79 -7.154 6.643 -6.729 1.00 1.39 C ATOM 0 H LEU B 79 -3.822 5.902 -4.370 1.00 0.70 H new ATOM 0 HA LEU B 79 -5.864 7.044 -2.836 1.00 0.73 H new ATOM 0 HB2 LEU B 79 -5.771 5.169 -5.149 1.00 0.80 H new ATOM 0 HB3 LEU B 79 -7.274 5.280 -4.254 1.00 0.80 H new ATOM 0 HG LEU B 79 -7.575 7.539 -4.771 1.00 1.01 H new ATOM 0 HD11 LEU B 79 -6.045 8.993 -6.003 1.00 1.20 H new ATOM 0 HD12 LEU B 79 -5.412 8.503 -4.414 1.00 1.20 H new ATOM 0 HD13 LEU B 79 -4.785 7.741 -5.895 1.00 1.20 H new ATOM 0 HD21 LEU B 79 -7.432 7.520 -7.314 1.00 1.39 H new ATOM 0 HD22 LEU B 79 -6.314 6.139 -7.208 1.00 1.39 H new ATOM 0 HD23 LEU B 79 -8.002 5.961 -6.673 1.00 1.39 H new ATOM 2925 N ILE B 80 -5.368 3.797 -2.188 1.00 0.60 N ATOM 2926 CA ILE B 80 -5.646 2.850 -1.104 1.00 0.56 C ATOM 2927 C ILE B 80 -4.955 3.298 0.192 1.00 0.59 C ATOM 2928 O ILE B 80 -5.432 3.007 1.282 1.00 0.60 O ATOM 2929 CB ILE B 80 -5.441 1.359 -1.465 1.00 0.54 C ATOM 2930 CG1 ILE B 80 -4.032 0.865 -1.137 1.00 0.58 C ATOM 2931 CG2 ILE B 80 -5.739 1.110 -2.938 1.00 0.64 C ATOM 2932 CD1 ILE B 80 -3.809 -0.642 -1.289 1.00 0.54 C ATOM 0 H ILE B 80 -4.748 3.459 -2.924 1.00 0.60 H new ATOM 0 HA ILE B 80 -6.721 2.886 -0.925 1.00 0.56 H new ATOM 0 HB ILE B 80 -6.143 0.795 -0.851 1.00 0.54 H new ATOM 0 HG12 ILE B 80 -3.324 1.386 -1.782 1.00 0.58 H new ATOM 0 HG13 ILE B 80 -3.797 1.148 -0.111 1.00 0.58 H new ATOM 0 HG21 ILE B 80 -5.588 0.055 -3.167 1.00 0.64 H new ATOM 0 HG22 ILE B 80 -6.773 1.383 -3.151 1.00 0.64 H new ATOM 0 HG23 ILE B 80 -5.070 1.714 -3.552 1.00 0.64 H new ATOM 0 HD11 ILE B 80 -2.778 -0.885 -1.032 1.00 0.54 H new ATOM 0 HD12 ILE B 80 -4.485 -1.179 -0.623 1.00 0.54 H new ATOM 0 HD13 ILE B 80 -4.005 -0.937 -2.320 1.00 0.54 H new ATOM 2944 N GLY B 81 -3.845 4.033 0.103 1.00 0.62 N ATOM 2945 CA GLY B 81 -3.257 4.694 1.260 1.00 0.66 C ATOM 2946 C GLY B 81 -4.276 5.601 1.950 1.00 0.65 C ATOM 2947 O GLY B 81 -4.488 5.531 3.160 1.00 0.68 O ATOM 0 H GLY B 81 -3.335 4.184 -0.767 1.00 0.62 H new ATOM 0 HA2 GLY B 81 -2.894 3.946 1.965 1.00 0.66 H new ATOM 0 HA3 GLY B 81 -2.394 5.282 0.948 1.00 0.66 H new ATOM 2951 N GLU B 82 -4.923 6.451 1.156 1.00 0.66 N ATOM 2952 CA GLU B 82 -6.039 7.267 1.579 1.00 0.72 C ATOM 2953 C GLU B 82 -7.146 6.368 2.150 1.00 0.69 C ATOM 2954 O GLU B 82 -7.595 6.613 3.269 1.00 0.72 O ATOM 2955 CB GLU B 82 -6.466 8.175 0.420 1.00 0.84 C ATOM 2956 CG GLU B 82 -5.430 9.284 0.155 1.00 0.86 C ATOM 2957 CD GLU B 82 -5.562 9.933 -1.218 1.00 2.01 C ATOM 2958 OE1 GLU B 82 -6.300 9.409 -2.075 1.00 3.03 O ATOM 2959 OE2 GLU B 82 -4.839 10.928 -1.453 1.00 2.79 O ATOM 0 H GLU B 82 -4.673 6.589 0.177 1.00 0.66 H new ATOM 0 HA GLU B 82 -5.766 7.938 2.394 1.00 0.72 H new ATOM 0 HB2 GLU B 82 -6.598 7.577 -0.482 1.00 0.84 H new ATOM 0 HB3 GLU B 82 -7.432 8.626 0.647 1.00 0.84 H new ATOM 0 HG2 GLU B 82 -5.530 10.053 0.921 1.00 0.86 H new ATOM 0 HG3 GLU B 82 -4.429 8.864 0.254 1.00 0.86 H new ATOM 2966 N LEU B 83 -7.530 5.281 1.463 1.00 0.65 N ATOM 2967 CA LEU B 83 -8.556 4.392 2.002 1.00 0.63 C ATOM 2968 C LEU B 83 -8.169 3.849 3.386 1.00 0.65 C ATOM 2969 O LEU B 83 -8.998 3.846 4.294 1.00 0.69 O ATOM 2970 CB LEU B 83 -9.115 3.384 0.974 1.00 0.65 C ATOM 2971 CG LEU B 83 -8.583 1.939 0.935 1.00 2.12 C ATOM 2972 CD1 LEU B 83 -9.056 1.078 2.109 1.00 2.99 C ATOM 2973 CD2 LEU B 83 -9.087 1.270 -0.353 1.00 3.23 C ATOM 0 H LEU B 83 -7.153 5.006 0.556 1.00 0.65 H new ATOM 0 HA LEU B 83 -9.446 4.989 2.203 1.00 0.63 H new ATOM 0 HB2 LEU B 83 -10.192 3.327 1.130 1.00 0.65 H new ATOM 0 HB3 LEU B 83 -8.959 3.812 -0.016 1.00 0.65 H new ATOM 0 HG LEU B 83 -7.496 2.005 0.986 1.00 2.12 H new ATOM 0 HD11 LEU B 83 -8.642 0.074 2.014 1.00 2.99 H new ATOM 0 HD12 LEU B 83 -8.719 1.523 3.045 1.00 2.99 H new ATOM 0 HD13 LEU B 83 -10.145 1.023 2.105 1.00 2.99 H new ATOM 0 HD21 LEU B 83 -8.720 0.245 -0.398 1.00 3.23 H new ATOM 0 HD22 LEU B 83 -10.177 1.266 -0.358 1.00 3.23 H new ATOM 0 HD23 LEU B 83 -8.722 1.824 -1.218 1.00 3.23 H new ATOM 2985 N ALA B 84 -6.912 3.435 3.598 1.00 0.65 N ATOM 2986 CA ALA B 84 -6.445 3.029 4.918 1.00 0.70 C ATOM 2987 C ALA B 84 -6.701 4.104 5.988 1.00 0.76 C ATOM 2988 O ALA B 84 -7.119 3.768 7.095 1.00 0.83 O ATOM 2989 CB ALA B 84 -4.966 2.635 4.858 1.00 0.72 C ATOM 0 H ALA B 84 -6.204 3.375 2.866 1.00 0.65 H new ATOM 0 HA ALA B 84 -7.025 2.157 5.220 1.00 0.70 H new ATOM 0 HB1 ALA B 84 -4.629 2.334 5.850 1.00 0.72 H new ATOM 0 HB2 ALA B 84 -4.839 1.804 4.164 1.00 0.72 H new ATOM 0 HB3 ALA B 84 -4.376 3.486 4.518 1.00 0.72 H new ATOM 2995 N LYS B 85 -6.449 5.388 5.690 1.00 0.85 N ATOM 2996 CA LYS B 85 -6.713 6.455 6.658 1.00 0.98 C ATOM 2997 C LYS B 85 -8.196 6.853 6.731 1.00 1.07 C ATOM 2998 O LYS B 85 -8.608 7.425 7.737 1.00 1.41 O ATOM 2999 CB LYS B 85 -5.776 7.661 6.498 1.00 1.26 C ATOM 3000 CG LYS B 85 -5.818 8.304 5.112 1.00 1.73 C ATOM 3001 CD LYS B 85 -5.253 9.728 5.164 1.00 1.77 C ATOM 3002 CE LYS B 85 -5.016 10.308 3.756 1.00 2.96 C ATOM 3003 NZ LYS B 85 -4.755 11.763 3.782 1.00 3.28 N ATOM 0 H LYS B 85 -6.068 5.706 4.799 1.00 0.85 H new ATOM 0 HA LYS B 85 -6.476 6.026 7.632 1.00 0.98 H new ATOM 0 HB2 LYS B 85 -6.038 8.412 7.243 1.00 1.26 H new ATOM 0 HB3 LYS B 85 -4.755 7.345 6.709 1.00 1.26 H new ATOM 0 HG2 LYS B 85 -5.242 7.703 4.408 1.00 1.73 H new ATOM 0 HG3 LYS B 85 -6.844 8.327 4.746 1.00 1.73 H new ATOM 0 HD2 LYS B 85 -5.943 10.372 5.710 1.00 1.77 H new ATOM 0 HD3 LYS B 85 -4.314 9.725 5.718 1.00 1.77 H new ATOM 0 HE2 LYS B 85 -4.171 9.798 3.294 1.00 2.96 H new ATOM 0 HE3 LYS B 85 -5.888 10.109 3.133 1.00 2.96 H new ATOM 0 HZ1 LYS B 85 -4.770 12.136 2.811 1.00 3.28 H new ATOM 0 HZ2 LYS B 85 -5.488 12.237 4.347 1.00 3.28 H new ATOM 0 HZ3 LYS B 85 -3.822 11.941 4.206 1.00 3.28 H new ATOM 3017 N GLU B 86 -9.007 6.554 5.716 1.00 0.88 N ATOM 3018 CA GLU B 86 -10.471 6.563 5.801 1.00 0.86 C ATOM 3019 C GLU B 86 -10.964 5.450 6.730 1.00 0.95 C ATOM 3020 O GLU B 86 -11.358 5.705 7.870 1.00 1.13 O ATOM 3021 CB GLU B 86 -11.057 6.362 4.404 1.00 0.79 C ATOM 3022 CG GLU B 86 -11.023 7.669 3.625 1.00 0.98 C ATOM 3023 CD GLU B 86 -10.868 7.417 2.138 1.00 1.53 C ATOM 3024 OE1 GLU B 86 -11.626 6.591 1.589 1.00 2.34 O ATOM 3025 OE2 GLU B 86 -9.988 8.042 1.504 1.00 2.46 O ATOM 0 H GLU B 86 -8.660 6.293 4.793 1.00 0.88 H new ATOM 0 HA GLU B 86 -10.796 7.521 6.206 1.00 0.86 H new ATOM 0 HB2 GLU B 86 -10.491 5.598 3.871 1.00 0.79 H new ATOM 0 HB3 GLU B 86 -12.083 6.003 4.481 1.00 0.79 H new ATOM 0 HG2 GLU B 86 -11.940 8.228 3.808 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -10.197 8.286 3.980 1.00 0.98 H new ATOM 3032 N ILE B 87 -11.003 4.218 6.222 1.00 0.89 N ATOM 3033 CA ILE B 87 -11.564 3.073 6.912 1.00 0.97 C ATOM 3034 C ILE B 87 -10.502 2.520 7.861 1.00 1.18 C ATOM 3035 O ILE B 87 -9.681 1.677 7.505 1.00 1.32 O ATOM 3036 CB ILE B 87 -12.198 2.088 5.902 1.00 0.94 C ATOM 3037 CG1 ILE B 87 -13.255 1.162 6.529 1.00 1.11 C ATOM 3038 CG2 ILE B 87 -11.227 1.291 5.020 1.00 1.43 C ATOM 3039 CD1 ILE B 87 -12.742 0.151 7.552 1.00 2.05 C ATOM 0 H ILE B 87 -10.635 3.991 5.298 1.00 0.89 H new ATOM 0 HA ILE B 87 -12.408 3.335 7.550 1.00 0.97 H new ATOM 0 HB ILE B 87 -12.700 2.771 5.217 1.00 0.94 H new ATOM 0 HG12 ILE B 87 -14.012 1.782 7.009 1.00 1.11 H new ATOM 0 HG13 ILE B 87 -13.752 0.616 5.727 1.00 1.11 H new ATOM 0 HG21 ILE B 87 -11.792 0.637 4.356 1.00 1.43 H new ATOM 0 HG22 ILE B 87 -10.626 1.980 4.426 1.00 1.43 H new ATOM 0 HG23 ILE B 87 -10.573 0.690 5.651 1.00 1.43 H new ATOM 0 HD11 ILE B 87 -13.575 -0.445 7.924 1.00 2.05 H new ATOM 0 HD12 ILE B 87 -12.010 -0.504 7.080 1.00 2.05 H new ATOM 0 HD13 ILE B 87 -12.274 0.679 8.383 1.00 2.05 H new ATOM 3051 N ARG B 88 -10.533 2.996 9.107 1.00 1.44 N ATOM 3052 CA ARG B 88 -9.501 2.715 10.094 1.00 1.74 C ATOM 3053 C ARG B 88 -9.752 1.330 10.697 1.00 1.52 C ATOM 3054 O ARG B 88 -10.074 1.202 11.874 1.00 1.81 O ATOM 3055 CB ARG B 88 -9.527 3.820 11.169 1.00 2.18 C ATOM 3056 CG ARG B 88 -9.199 5.199 10.574 1.00 3.02 C ATOM 3057 CD ARG B 88 -10.291 6.255 10.817 1.00 3.07 C ATOM 3058 NE ARG B 88 -10.051 7.403 9.931 1.00 4.68 N ATOM 3059 CZ ARG B 88 -10.939 8.314 9.505 1.00 5.69 C ATOM 3060 NH1 ARG B 88 -12.049 8.559 10.209 1.00 5.46 N ATOM 3061 NH2 ARG B 88 -10.692 8.968 8.369 1.00 7.44 N ATOM 0 H ARG B 88 -11.283 3.592 9.458 1.00 1.44 H new ATOM 0 HA ARG B 88 -8.512 2.709 9.635 1.00 1.74 H new ATOM 0 HB2 ARG B 88 -10.511 3.850 11.636 1.00 2.18 H new ATOM 0 HB3 ARG B 88 -8.809 3.582 11.953 1.00 2.18 H new ATOM 0 HG2 ARG B 88 -8.261 5.555 11.001 1.00 3.02 H new ATOM 0 HG3 ARG B 88 -9.041 5.093 9.501 1.00 3.02 H new ATOM 0 HD2 ARG B 88 -11.276 5.830 10.624 1.00 3.07 H new ATOM 0 HD3 ARG B 88 -10.281 6.575 11.859 1.00 3.07 H new ATOM 0 HE ARG B 88 -9.093 7.521 9.600 1.00 4.68 H new ATOM 0 HH11 ARG B 88 -12.225 8.052 11.076 1.00 5.46 H new ATOM 0 HH12 ARG B 88 -12.720 9.253 9.879 1.00 5.46 H new ATOM 0 HH21 ARG B 88 -9.841 8.771 7.842 1.00 7.44 H new ATOM 0 HH22 ARG B 88 -11.354 9.665 8.027 1.00 7.44 H new ATOM 3075 N LYS B 89 -9.595 0.283 9.876 1.00 1.33 N ATOM 3076 CA LYS B 89 -9.942 -1.083 10.254 1.00 1.18 C ATOM 3077 C LYS B 89 -9.095 -1.626 11.408 1.00 1.52 C ATOM 3078 O LYS B 89 -9.509 -2.597 12.032 1.00 1.39 O ATOM 3079 CB LYS B 89 -9.935 -2.037 9.041 1.00 1.86 C ATOM 3080 CG LYS B 89 -8.579 -2.291 8.349 1.00 1.56 C ATOM 3081 CD LYS B 89 -8.490 -1.613 6.970 1.00 1.82 C ATOM 3082 CE LYS B 89 -8.966 -2.460 5.772 1.00 2.65 C ATOM 3083 NZ LYS B 89 -10.153 -3.301 6.034 1.00 3.88 N ATOM 0 H LYS B 89 -9.223 0.365 8.930 1.00 1.33 H new ATOM 0 HA LYS B 89 -10.965 -1.036 10.628 1.00 1.18 H new ATOM 0 HB2 LYS B 89 -10.334 -2.998 9.365 1.00 1.86 H new ATOM 0 HB3 LYS B 89 -10.625 -1.641 8.296 1.00 1.86 H new ATOM 0 HG2 LYS B 89 -7.774 -1.922 8.985 1.00 1.56 H new ATOM 0 HG3 LYS B 89 -8.428 -3.364 8.234 1.00 1.56 H new ATOM 0 HD2 LYS B 89 -9.078 -0.696 6.999 1.00 1.82 H new ATOM 0 HD3 LYS B 89 -7.454 -1.322 6.796 1.00 1.82 H new ATOM 0 HE2 LYS B 89 -9.189 -1.792 4.940 1.00 2.65 H new ATOM 0 HE3 LYS B 89 -8.146 -3.104 5.453 1.00 2.65 H new ATOM 0 HZ1 LYS B 89 -10.765 -3.310 5.193 1.00 3.88 H new ATOM 0 HZ2 LYS B 89 -9.850 -4.272 6.252 1.00 3.88 H new ATOM 0 HZ3 LYS B 89 -10.681 -2.914 6.842 1.00 3.88 H new ATOM 3097 N LYS B 90 -7.915 -1.040 11.658 1.00 2.18 N ATOM 3098 CA LYS B 90 -6.848 -1.556 12.520 1.00 2.99 C ATOM 3099 C LYS B 90 -7.247 -1.649 14.008 1.00 2.05 C ATOM 3100 O LYS B 90 -6.648 -1.000 14.864 1.00 2.16 O ATOM 3101 CB LYS B 90 -5.592 -0.685 12.310 1.00 4.45 C ATOM 3102 CG LYS B 90 -4.318 -1.328 12.891 1.00 5.85 C ATOM 3103 CD LYS B 90 -3.339 -0.314 13.507 1.00 7.03 C ATOM 3104 CE LYS B 90 -2.515 0.513 12.506 1.00 8.46 C ATOM 3105 NZ LYS B 90 -3.326 1.449 11.701 1.00 9.08 N ATOM 0 H LYS B 90 -7.668 -0.143 11.239 1.00 2.18 H new ATOM 0 HA LYS B 90 -6.640 -2.586 12.231 1.00 2.99 H new ATOM 0 HB2 LYS B 90 -5.451 -0.509 11.244 1.00 4.45 H new ATOM 0 HB3 LYS B 90 -5.748 0.288 12.776 1.00 4.45 H new ATOM 0 HG2 LYS B 90 -4.603 -2.053 13.653 1.00 5.85 H new ATOM 0 HG3 LYS B 90 -3.807 -1.879 12.101 1.00 5.85 H new ATOM 0 HD2 LYS B 90 -3.905 0.372 14.137 1.00 7.03 H new ATOM 0 HD3 LYS B 90 -2.651 -0.852 14.159 1.00 7.03 H new ATOM 0 HE2 LYS B 90 -1.758 1.077 13.051 1.00 8.46 H new ATOM 0 HE3 LYS B 90 -1.986 -0.165 11.836 1.00 8.46 H new ATOM 0 HZ1 LYS B 90 -2.780 2.316 11.523 1.00 9.08 H new ATOM 0 HZ2 LYS B 90 -3.573 1.003 10.795 1.00 9.08 H new ATOM 0 HZ3 LYS B 90 -4.196 1.688 12.218 1.00 9.08 H new ATOM 3119 N LYS B 91 -8.213 -2.514 14.308 1.00 1.78 N ATOM 3120 CA LYS B 91 -8.621 -3.004 15.611 1.00 2.01 C ATOM 3121 C LYS B 91 -9.347 -4.333 15.382 1.00 2.05 C ATOM 3122 O LYS B 91 -8.923 -5.374 15.880 1.00 2.62 O ATOM 3123 CB LYS B 91 -9.613 -2.060 16.309 1.00 2.76 C ATOM 3124 CG LYS B 91 -9.099 -0.720 16.827 1.00 3.61 C ATOM 3125 CD LYS B 91 -10.257 0.113 17.407 1.00 4.34 C ATOM 3126 CE LYS B 91 -10.967 -0.467 18.648 1.00 4.60 C ATOM 3127 NZ LYS B 91 -11.973 -1.516 18.353 1.00 5.05 N ATOM 0 H LYS B 91 -8.782 -2.926 13.568 1.00 1.78 H new ATOM 0 HA LYS B 91 -7.734 -3.093 16.239 1.00 2.01 H new ATOM 0 HB2 LYS B 91 -10.425 -1.856 15.611 1.00 2.76 H new ATOM 0 HB3 LYS B 91 -10.046 -2.598 17.153 1.00 2.76 H new ATOM 0 HG2 LYS B 91 -8.342 -0.886 17.594 1.00 3.61 H new ATOM 0 HG3 LYS B 91 -8.618 -0.171 16.018 1.00 3.61 H new ATOM 0 HD2 LYS B 91 -9.872 1.100 17.664 1.00 4.34 H new ATOM 0 HD3 LYS B 91 -11.001 0.255 16.623 1.00 4.34 H new ATOM 0 HE2 LYS B 91 -10.215 -0.882 19.319 1.00 4.60 H new ATOM 0 HE3 LYS B 91 -11.457 0.347 19.183 1.00 4.60 H new ATOM 0 HZ1 LYS B 91 -12.703 -1.515 19.094 1.00 5.05 H new ATOM 0 HZ2 LYS B 91 -12.415 -1.324 17.431 1.00 5.05 H new ATOM 0 HZ3 LYS B 91 -11.508 -2.446 18.327 1.00 5.05 H new ATOM 3141 N ASP B 92 -10.457 -4.280 14.630 1.00 1.87 N ATOM 3142 CA ASP B 92 -11.523 -5.270 14.733 1.00 2.13 C ATOM 3143 C ASP B 92 -11.767 -5.929 13.369 1.00 1.70 C ATOM 3144 O ASP B 92 -12.900 -5.997 12.893 1.00 1.91 O ATOM 3145 CB ASP B 92 -12.806 -4.552 15.210 1.00 2.94 C ATOM 3146 CG ASP B 92 -12.613 -3.557 16.344 1.00 3.89 C ATOM 3147 OD1 ASP B 92 -12.050 -3.920 17.400 1.00 4.35 O ATOM 3148 OD2 ASP B 92 -12.978 -2.372 16.169 1.00 4.87 O ATOM 0 H ASP B 92 -10.634 -3.551 13.939 1.00 1.87 H new ATOM 0 HA ASP B 92 -11.242 -6.048 15.443 1.00 2.13 H new ATOM 0 HB2 ASP B 92 -13.246 -4.029 14.361 1.00 2.94 H new ATOM 0 HB3 ASP B 92 -13.527 -5.305 15.529 1.00 2.94 H new ATOM 3153 N LEU B 93 -10.717 -6.488 12.764 1.00 1.62 N ATOM 3154 CA LEU B 93 -10.757 -6.880 11.356 1.00 1.64 C ATOM 3155 C LEU B 93 -11.868 -7.899 11.102 1.00 1.35 C ATOM 3156 O LEU B 93 -12.729 -7.710 10.240 1.00 1.32 O ATOM 3157 CB LEU B 93 -9.387 -7.401 10.876 1.00 2.42 C ATOM 3158 CG LEU B 93 -8.247 -6.361 10.820 1.00 1.99 C ATOM 3159 CD1 LEU B 93 -8.681 -5.068 10.151 1.00 1.94 C ATOM 3160 CD2 LEU B 93 -7.613 -6.051 12.183 1.00 3.53 C ATOM 0 H LEU B 93 -9.829 -6.679 13.228 1.00 1.62 H new ATOM 0 HA LEU B 93 -10.985 -5.990 10.769 1.00 1.64 H new ATOM 0 HB2 LEU B 93 -9.079 -8.213 11.535 1.00 2.42 H new ATOM 0 HB3 LEU B 93 -9.512 -7.828 9.881 1.00 2.42 H new ATOM 0 HG LEU B 93 -7.479 -6.838 10.212 1.00 1.99 H new ATOM 0 HD11 LEU B 93 -7.846 -4.368 10.135 1.00 1.94 H new ATOM 0 HD12 LEU B 93 -8.999 -5.276 9.129 1.00 1.94 H new ATOM 0 HD13 LEU B 93 -9.510 -4.631 10.707 1.00 1.94 H new ATOM 0 HD21 LEU B 93 -6.822 -5.312 12.057 1.00 3.53 H new ATOM 0 HD22 LEU B 93 -8.374 -5.656 12.857 1.00 3.53 H new ATOM 0 HD23 LEU B 93 -7.193 -6.964 12.605 1.00 3.53 H new ATOM 3172 N LYS B 94 -11.871 -8.967 11.897 1.00 1.49 N ATOM 3173 CA LYS B 94 -12.824 -10.058 11.759 1.00 1.55 C ATOM 3174 C LYS B 94 -14.273 -9.577 11.875 1.00 1.35 C ATOM 3175 O LYS B 94 -15.179 -10.276 11.423 1.00 1.49 O ATOM 3176 CB LYS B 94 -12.464 -11.197 12.752 1.00 2.30 C ATOM 3177 CG LYS B 94 -13.567 -11.652 13.726 1.00 4.41 C ATOM 3178 CD LYS B 94 -14.441 -12.743 13.085 1.00 5.55 C ATOM 3179 CE LYS B 94 -15.920 -12.647 13.501 1.00 7.72 C ATOM 3180 NZ LYS B 94 -16.750 -12.147 12.386 1.00 8.58 N ATOM 0 H LYS B 94 -11.206 -9.097 12.659 1.00 1.49 H new ATOM 0 HA LYS B 94 -12.750 -10.469 10.752 1.00 1.55 H new ATOM 0 HB2 LYS B 94 -12.146 -12.063 12.172 1.00 2.30 H new ATOM 0 HB3 LYS B 94 -11.605 -10.874 13.340 1.00 2.30 H new ATOM 0 HG2 LYS B 94 -13.116 -12.032 14.642 1.00 4.41 H new ATOM 0 HG3 LYS B 94 -14.187 -10.800 14.005 1.00 4.41 H new ATOM 0 HD2 LYS B 94 -14.368 -12.669 12.000 1.00 5.55 H new ATOM 0 HD3 LYS B 94 -14.053 -13.723 13.364 1.00 5.55 H new ATOM 0 HE2 LYS B 94 -16.278 -13.628 13.815 1.00 7.72 H new ATOM 0 HE3 LYS B 94 -16.018 -11.982 14.359 1.00 7.72 H new ATOM 0 HZ1 LYS B 94 -17.723 -11.994 12.719 1.00 8.58 H new ATOM 0 HZ2 LYS B 94 -16.358 -11.249 12.037 1.00 8.58 H new ATOM 0 HZ3 LYS B 94 -16.753 -12.845 11.615 1.00 8.58 H new ATOM 3194 N ILE B 95 -14.542 -8.426 12.502 1.00 1.44 N ATOM 3195 CA ILE B 95 -15.913 -7.951 12.613 1.00 1.84 C ATOM 3196 C ILE B 95 -16.488 -7.657 11.227 1.00 1.86 C ATOM 3197 O ILE B 95 -17.683 -7.879 11.028 1.00 2.32 O ATOM 3198 CB ILE B 95 -16.022 -6.765 13.589 1.00 2.15 C ATOM 3199 CG1 ILE B 95 -15.493 -7.125 14.992 1.00 2.19 C ATOM 3200 CG2 ILE B 95 -17.464 -6.245 13.684 1.00 3.03 C ATOM 3201 CD1 ILE B 95 -16.196 -8.308 15.670 1.00 2.82 C ATOM 0 H ILE B 95 -13.840 -7.822 12.930 1.00 1.44 H new ATOM 0 HA ILE B 95 -16.528 -8.740 13.046 1.00 1.84 H new ATOM 0 HB ILE B 95 -15.395 -5.970 13.185 1.00 2.15 H new ATOM 0 HG12 ILE B 95 -14.429 -7.350 14.915 1.00 2.19 H new ATOM 0 HG13 ILE B 95 -15.588 -6.250 15.634 1.00 2.19 H new ATOM 0 HG21 ILE B 95 -17.504 -5.408 14.381 1.00 3.03 H new ATOM 0 HG22 ILE B 95 -17.797 -5.914 12.700 1.00 3.03 H new ATOM 0 HG23 ILE B 95 -18.116 -7.044 14.038 1.00 3.03 H new ATOM 0 HD11 ILE B 95 -15.752 -8.482 16.650 1.00 2.82 H new ATOM 0 HD12 ILE B 95 -17.256 -8.083 15.786 1.00 2.82 H new ATOM 0 HD13 ILE B 95 -16.080 -9.201 15.056 1.00 2.82 H new ATOM 3213 N ARG B 96 -15.643 -7.258 10.263 1.00 1.57 N ATOM 3214 CA ARG B 96 -16.046 -6.967 8.888 1.00 1.88 C ATOM 3215 C ARG B 96 -17.307 -6.086 8.834 1.00 2.33 C ATOM 3216 O ARG B 96 -17.587 -5.347 9.776 1.00 2.53 O ATOM 3217 CB ARG B 96 -16.079 -8.245 8.038 1.00 2.32 C ATOM 3218 CG ARG B 96 -16.909 -9.427 8.543 1.00 1.79 C ATOM 3219 CD ARG B 96 -18.416 -9.407 8.263 1.00 2.24 C ATOM 3220 NE ARG B 96 -18.978 -10.740 8.535 1.00 2.95 N ATOM 3221 CZ ARG B 96 -20.252 -11.125 8.349 1.00 3.45 C ATOM 3222 NH1 ARG B 96 -21.173 -10.264 7.907 1.00 3.44 N ATOM 3223 NH2 ARG B 96 -20.599 -12.392 8.605 1.00 4.83 N ATOM 0 H ARG B 96 -14.644 -7.128 10.425 1.00 1.57 H new ATOM 0 HA ARG B 96 -15.284 -6.348 8.414 1.00 1.88 H new ATOM 0 HB2 ARG B 96 -16.449 -7.977 7.048 1.00 2.32 H new ATOM 0 HB3 ARG B 96 -15.052 -8.588 7.913 1.00 2.32 H new ATOM 0 HG2 ARG B 96 -16.498 -10.337 8.106 1.00 1.79 H new ATOM 0 HG3 ARG B 96 -16.769 -9.500 9.621 1.00 1.79 H new ATOM 0 HD2 ARG B 96 -18.904 -8.659 8.888 1.00 2.24 H new ATOM 0 HD3 ARG B 96 -18.601 -9.126 7.226 1.00 2.24 H new ATOM 0 HE ARG B 96 -18.336 -11.442 8.902 1.00 2.95 H new ATOM 0 HH11 ARG B 96 -20.913 -9.298 7.705 1.00 3.44 H new ATOM 0 HH12 ARG B 96 -22.136 -10.572 7.771 1.00 3.44 H new ATOM 0 HH21 ARG B 96 -19.899 -13.055 8.938 1.00 4.83 H new ATOM 0 HH22 ARG B 96 -21.563 -12.694 8.467 1.00 4.83 H new