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 55 SER OG : rot 31:sc= 1 USER MOD Set 1.2: B 85 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0) USER MOD Set 2.1: B 44 GLN : amide:sc= 0 K(o=-0.044,f=-1) USER MOD Set 2.2: B 45 GLN : amide:sc= -0.0443 K(o=-0.044,f=-4.9!) USER MOD Set 3.1: B 39 LYS NZ :NH3+ -173:sc= 1.24 (180deg=0) USER MOD Set 3.2: B 43 THR OG1 : rot 71:sc= 2.08 USER MOD Set 4.1: A 12 SER OG : rot -170:sc= 1.06 USER MOD Set 4.2: B 19 THR OG1 : rot -83:sc= 0.917 USER MOD Set 5.1: A 44 GLN : amide:sc= 0.859 X(o=3.5,f=3.3) USER MOD Set 5.2: A 45 GLN : amide:sc= 1.64 X(o=3.5,f=3.3) USER MOD Set 5.3: B 7 THR OG1 : rot -126:sc= 1.04 USER MOD Set 6.1: A 55 SER OG : rot -58:sc= 1.89 USER MOD Set 6.2: A 85 LYS NZ :NH3+ 173:sc= 1.07 (180deg=-0.139) USER MOD Set 7.1: A 69 SER OG : rot 180:sc= -0.283 USER MOD Set 7.2: A 72 LYS NZ :NH3+ -168:sc= 2.2 (180deg=2.12) USER MOD Set 8.1: A 48 HIS : no HE2:sc= -1.82 K(o=-1.1,f=-19!) USER MOD Set 8.2: A 89 LYS NZ :NH3+ -177:sc= 0.701 (180deg=-0.577) USER MOD Set 9.1: A 36 ASN : amide:sc= 1.57 K(o=2.4,f=-6!) USER MOD Set 9.2: A 39 LYS NZ :NH3+ -160:sc= 1.06 (180deg=0.441) USER MOD Set 9.3: A 67 GLN : amide:sc= -0.256 K(o=2.4,f=-6) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0823 USER MOD Single : A 15 THR OG1 : rot -13:sc= 1.26 USER MOD Single : A 18 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A 19 THR OG1 : rot 83:sc= 1.03 USER MOD Single : A 22 THR OG1 : rot 31:sc= 0.0556 USER MOD Single : A 32 SER OG : rot 160:sc= 0.453 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= -0.142 (180deg=-0.26) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= -2.12! (180deg=-2.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0.426 (180deg=-2.86!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.0273 K(o=-0.027,f=-3.5!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 146:sc=-0.00909 (180deg=-1.08!) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 0.464! (180deg=-1.34!) USER MOD Single : B 12 SER OG : rot 61:sc= 1.14 USER MOD Single : B 15 THR OG1 : rot 78:sc= 1.27 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot -138:sc= 1.22 USER MOD Single : B 30 LYS NZ :NH3+ -173:sc= 2.28 (180deg=2.18) USER MOD Single : B 32 SER OG : rot 53:sc= 0.499 USER MOD Single : B 34 SER OG : rot -79:sc= 1.23 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 48 HIS : no HE2:sc= 0.168 K(o=0.17,f=-2.1) USER MOD Single : B 51 LYS NZ :NH3+ -123:sc= 0.919 (180deg=0.248) USER MOD Single : B 59 LYS NZ :NH3+ -159:sc= 1.11 (180deg=0.538) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0.599) USER MOD Single : B 62 SER OG : rot 73:sc= 1.12 USER MOD Single : B 66 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.3) USER MOD Single : B 67 GLN :FLIP amide:sc= -0.429 F(o=-1.6!,f=-0.43) USER MOD Single : B 69 SER OG : rot -37:sc= 0.943 USER MOD Single : B 72 LYS NZ :NH3+ 158:sc= 1.01 (180deg=0.386) USER MOD Single : B 74 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.1) USER MOD Single : B 76 TYR OH : rot 30:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 156:sc= -0.233 (180deg=-1.95!) USER MOD Single : B 90 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.98) USER MOD Single : B 91 LYS NZ :NH3+ -163:sc= 0.982 (180deg=-0.798) USER MOD Single : B 94 LYS NZ :NH3+ -174:sc= 0.642 (180deg=0.524) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.128 -12.423 8.520 1.00 1.37 N ATOM 41 CA GLU A 4 -15.066 -11.596 7.765 1.00 1.16 C ATOM 42 C GLU A 4 -14.964 -11.947 6.276 1.00 1.10 C ATOM 43 O GLU A 4 -14.038 -12.662 5.890 1.00 1.11 O ATOM 44 CB GLU A 4 -14.795 -10.118 8.052 1.00 1.43 C ATOM 45 CG GLU A 4 -13.613 -9.460 7.331 1.00 2.17 C ATOM 46 CD GLU A 4 -13.564 -7.968 7.650 1.00 3.84 C ATOM 47 OE1 GLU A 4 -14.604 -7.311 7.419 1.00 5.19 O ATOM 48 OE2 GLU A 4 -12.510 -7.532 8.159 1.00 4.52 O ATOM 0 HA GLU A 4 -16.092 -11.794 8.074 1.00 1.16 H new ATOM 0 HB2 GLU A 4 -15.695 -9.557 7.802 1.00 1.43 H new ATOM 0 HB3 GLU A 4 -14.638 -10.007 9.125 1.00 1.43 H new ATOM 0 HG2 GLU A 4 -12.681 -9.935 7.637 1.00 2.17 H new ATOM 0 HG3 GLU A 4 -13.707 -9.606 6.255 1.00 2.17 H new ATOM 55 N PRO A 5 -15.865 -11.458 5.408 1.00 1.16 N ATOM 56 CA PRO A 5 -15.780 -11.713 3.988 1.00 1.23 C ATOM 57 C PRO A 5 -14.769 -10.735 3.383 1.00 1.19 C ATOM 58 O PRO A 5 -15.123 -9.900 2.553 1.00 1.33 O ATOM 59 CB PRO A 5 -17.210 -11.523 3.479 1.00 1.46 C ATOM 60 CG PRO A 5 -17.765 -10.420 4.381 1.00 1.55 C ATOM 61 CD PRO A 5 -16.944 -10.524 5.671 1.00 1.31 C ATOM 0 HA PRO A 5 -15.427 -12.708 3.718 1.00 1.23 H new ATOM 0 HB2 PRO A 5 -17.227 -11.230 2.429 1.00 1.46 H new ATOM 0 HB3 PRO A 5 -17.792 -12.441 3.563 1.00 1.46 H new ATOM 0 HG2 PRO A 5 -17.656 -9.438 3.920 1.00 1.55 H new ATOM 0 HG3 PRO A 5 -18.828 -10.564 4.575 1.00 1.55 H new ATOM 0 HD2 PRO A 5 -16.550 -9.549 5.958 1.00 1.31 H new ATOM 0 HD3 PRO A 5 -17.564 -10.873 6.497 1.00 1.31 H new ATOM 69 N LEU A 6 -13.502 -10.870 3.784 1.00 1.07 N ATOM 70 CA LEU A 6 -12.414 -10.105 3.187 1.00 1.01 C ATOM 71 C LEU A 6 -12.015 -10.745 1.853 1.00 0.94 C ATOM 72 O LEU A 6 -12.495 -11.824 1.499 1.00 1.29 O ATOM 73 CB LEU A 6 -11.228 -9.992 4.164 1.00 1.03 C ATOM 74 CG LEU A 6 -10.298 -11.214 4.281 1.00 1.04 C ATOM 75 CD1 LEU A 6 -9.132 -10.845 5.207 1.00 2.02 C ATOM 76 CD2 LEU A 6 -10.996 -12.458 4.839 1.00 2.16 C ATOM 0 H LEU A 6 -13.208 -11.507 4.524 1.00 1.07 H new ATOM 0 HA LEU A 6 -12.747 -9.087 2.984 1.00 1.01 H new ATOM 0 HB2 LEU A 6 -10.624 -9.135 3.866 1.00 1.03 H new ATOM 0 HB3 LEU A 6 -11.625 -9.773 5.155 1.00 1.03 H new ATOM 0 HG LEU A 6 -9.960 -11.464 3.275 1.00 1.04 H new ATOM 0 HD11 LEU A 6 -8.460 -11.698 5.304 1.00 2.02 H new ATOM 0 HD12 LEU A 6 -8.587 -10.000 4.787 1.00 2.02 H new ATOM 0 HD13 LEU A 6 -9.519 -10.575 6.189 1.00 2.02 H new ATOM 0 HD21 LEU A 6 -10.283 -13.281 4.895 1.00 2.16 H new ATOM 0 HD22 LEU A 6 -11.381 -12.243 5.836 1.00 2.16 H new ATOM 0 HD23 LEU A 6 -11.821 -12.737 4.184 1.00 2.16 H new ATOM 88 N THR A 7 -11.206 -10.048 1.054 1.00 0.77 N ATOM 89 CA THR A 7 -10.832 -10.455 -0.295 1.00 0.81 C ATOM 90 C THR A 7 -9.491 -9.792 -0.624 1.00 0.73 C ATOM 91 O THR A 7 -9.113 -8.835 0.054 1.00 0.86 O ATOM 92 CB THR A 7 -11.953 -10.036 -1.270 1.00 1.14 C ATOM 93 OG1 THR A 7 -13.167 -10.677 -0.935 1.00 1.80 O ATOM 94 CG2 THR A 7 -11.664 -10.373 -2.735 1.00 1.43 C ATOM 0 H THR A 7 -10.784 -9.164 1.337 1.00 0.77 H new ATOM 0 HA THR A 7 -10.714 -11.535 -0.382 1.00 0.81 H new ATOM 0 HB THR A 7 -12.017 -8.953 -1.169 1.00 1.14 H new ATOM 0 HG1 THR A 7 -13.867 -10.399 -1.562 1.00 1.80 H new ATOM 0 HG21 THR A 7 -12.499 -10.047 -3.355 1.00 1.43 H new ATOM 0 HG22 THR A 7 -10.755 -9.863 -3.053 1.00 1.43 H new ATOM 0 HG23 THR A 7 -11.532 -11.450 -2.841 1.00 1.43 H new ATOM 102 N GLU A 8 -8.817 -10.260 -1.680 1.00 0.77 N ATOM 103 CA GLU A 8 -7.440 -9.954 -2.046 1.00 0.83 C ATOM 104 C GLU A 8 -7.059 -8.488 -1.786 1.00 0.81 C ATOM 105 O GLU A 8 -6.077 -8.205 -1.108 1.00 0.83 O ATOM 106 CB GLU A 8 -7.210 -10.340 -3.521 1.00 0.97 C ATOM 107 CG GLU A 8 -7.773 -11.728 -3.879 1.00 1.16 C ATOM 108 CD GLU A 8 -7.238 -12.229 -5.215 1.00 1.87 C ATOM 109 OE1 GLU A 8 -6.157 -12.854 -5.195 1.00 2.97 O ATOM 110 OE2 GLU A 8 -7.892 -11.954 -6.247 1.00 2.74 O ATOM 0 H GLU A 8 -9.252 -10.904 -2.341 1.00 0.77 H new ATOM 0 HA GLU A 8 -6.785 -10.544 -1.405 1.00 0.83 H new ATOM 0 HB2 GLU A 8 -7.673 -9.590 -4.163 1.00 0.97 H new ATOM 0 HB3 GLU A 8 -6.141 -10.323 -3.732 1.00 0.97 H new ATOM 0 HG2 GLU A 8 -7.514 -12.439 -3.094 1.00 1.16 H new ATOM 0 HG3 GLU A 8 -8.861 -11.680 -3.918 1.00 1.16 H new ATOM 117 N LEU A 9 -7.845 -7.542 -2.305 1.00 0.80 N ATOM 118 CA LEU A 9 -7.579 -6.120 -2.112 1.00 0.81 C ATOM 119 C LEU A 9 -7.504 -5.781 -0.615 1.00 0.79 C ATOM 120 O LEU A 9 -6.540 -5.159 -0.172 1.00 0.88 O ATOM 121 CB LEU A 9 -8.646 -5.273 -2.821 1.00 0.86 C ATOM 122 CG LEU A 9 -8.498 -5.183 -4.352 1.00 0.86 C ATOM 123 CD1 LEU A 9 -8.552 -6.519 -5.110 1.00 2.34 C ATOM 124 CD2 LEU A 9 -9.505 -4.184 -4.935 1.00 2.30 C ATOM 0 H LEU A 9 -8.675 -7.740 -2.865 1.00 0.80 H new ATOM 0 HA LEU A 9 -6.612 -5.884 -2.556 1.00 0.81 H new ATOM 0 HB2 LEU A 9 -9.628 -5.686 -2.590 1.00 0.86 H new ATOM 0 HB3 LEU A 9 -8.620 -4.264 -2.409 1.00 0.86 H new ATOM 0 HG LEU A 9 -7.480 -4.826 -4.508 1.00 0.86 H new ATOM 0 HD11 LEU A 9 -8.438 -6.336 -6.178 1.00 2.34 H new ATOM 0 HD12 LEU A 9 -7.746 -7.166 -4.764 1.00 2.34 H new ATOM 0 HD13 LEU A 9 -9.511 -7.004 -4.925 1.00 2.34 H new ATOM 0 HD21 LEU A 9 -9.384 -4.135 -6.017 1.00 2.30 H new ATOM 0 HD22 LEU A 9 -10.518 -4.508 -4.697 1.00 2.30 H new ATOM 0 HD23 LEU A 9 -9.329 -3.198 -4.505 1.00 2.30 H new ATOM 136 N GLU A 10 -8.510 -6.204 0.160 1.00 0.73 N ATOM 137 CA GLU A 10 -8.574 -6.016 1.607 1.00 0.75 C ATOM 138 C GLU A 10 -7.321 -6.637 2.235 1.00 0.73 C ATOM 139 O GLU A 10 -6.604 -6.001 3.012 1.00 0.74 O ATOM 140 CB GLU A 10 -9.843 -6.699 2.161 1.00 0.97 C ATOM 141 CG GLU A 10 -10.472 -6.098 3.432 1.00 1.21 C ATOM 142 CD GLU A 10 -9.520 -5.313 4.320 1.00 2.11 C ATOM 143 OE1 GLU A 10 -9.311 -4.105 4.060 1.00 3.16 O ATOM 144 OE2 GLU A 10 -8.969 -5.890 5.282 1.00 3.10 O ATOM 0 H GLU A 10 -9.320 -6.698 -0.215 1.00 0.73 H new ATOM 0 HA GLU A 10 -8.617 -4.954 1.849 1.00 0.75 H new ATOM 0 HB2 GLU A 10 -10.599 -6.694 1.376 1.00 0.97 H new ATOM 0 HB3 GLU A 10 -9.603 -7.742 2.365 1.00 0.97 H new ATOM 0 HG2 GLU A 10 -11.291 -5.442 3.137 1.00 1.21 H new ATOM 0 HG3 GLU A 10 -10.907 -6.907 4.019 1.00 1.21 H new ATOM 151 N GLU A 11 -7.053 -7.888 1.858 1.00 0.77 N ATOM 152 CA GLU A 11 -5.932 -8.657 2.368 1.00 0.82 C ATOM 153 C GLU A 11 -4.620 -7.888 2.170 1.00 0.86 C ATOM 154 O GLU A 11 -3.821 -7.765 3.096 1.00 0.92 O ATOM 155 CB GLU A 11 -5.909 -10.044 1.716 1.00 0.98 C ATOM 156 CG GLU A 11 -7.161 -10.853 2.090 1.00 2.27 C ATOM 157 CD GLU A 11 -7.314 -12.096 1.225 1.00 3.24 C ATOM 158 OE1 GLU A 11 -6.347 -12.887 1.192 1.00 3.47 O ATOM 159 OE2 GLU A 11 -8.394 -12.226 0.610 1.00 4.44 O ATOM 0 H GLU A 11 -7.620 -8.397 1.180 1.00 0.77 H new ATOM 0 HA GLU A 11 -6.049 -8.807 3.441 1.00 0.82 H new ATOM 0 HB2 GLU A 11 -5.851 -9.939 0.633 1.00 0.98 H new ATOM 0 HB3 GLU A 11 -5.016 -10.583 2.033 1.00 0.98 H new ATOM 0 HG2 GLU A 11 -7.104 -11.145 3.139 1.00 2.27 H new ATOM 0 HG3 GLU A 11 -8.045 -10.224 1.982 1.00 2.27 H new ATOM 166 N SER A 12 -4.411 -7.291 0.992 1.00 0.89 N ATOM 167 CA SER A 12 -3.149 -6.617 0.712 1.00 1.00 C ATOM 168 C SER A 12 -2.946 -5.443 1.671 1.00 0.99 C ATOM 169 O SER A 12 -1.820 -5.078 2.006 1.00 1.29 O ATOM 170 CB SER A 12 -3.116 -6.164 -0.749 1.00 1.07 C ATOM 171 OG SER A 12 -3.300 -7.285 -1.589 1.00 2.09 O ATOM 0 H SER A 12 -5.090 -7.263 0.231 1.00 0.89 H new ATOM 0 HA SER A 12 -2.325 -7.313 0.869 1.00 1.00 H new ATOM 0 HB2 SER A 12 -3.898 -5.426 -0.931 1.00 1.07 H new ATOM 0 HB3 SER A 12 -2.164 -5.681 -0.971 1.00 1.07 H new ATOM 0 HG SER A 12 -3.129 -7.028 -2.519 1.00 2.09 H new ATOM 177 N ILE A 13 -4.053 -4.837 2.099 1.00 0.74 N ATOM 178 CA ILE A 13 -4.066 -3.695 2.987 1.00 0.71 C ATOM 179 C ILE A 13 -3.886 -4.159 4.428 1.00 0.72 C ATOM 180 O ILE A 13 -3.115 -3.543 5.166 1.00 0.71 O ATOM 181 CB ILE A 13 -5.385 -2.942 2.785 1.00 0.66 C ATOM 182 CG1 ILE A 13 -5.460 -2.458 1.328 1.00 0.80 C ATOM 183 CG2 ILE A 13 -5.606 -1.740 3.720 1.00 0.64 C ATOM 184 CD1 ILE A 13 -6.902 -2.203 0.955 1.00 0.57 C ATOM 0 H ILE A 13 -4.987 -5.142 1.825 1.00 0.74 H new ATOM 0 HA ILE A 13 -3.241 -3.018 2.763 1.00 0.71 H new ATOM 0 HB ILE A 13 -6.173 -3.654 3.031 1.00 0.66 H new ATOM 0 HG12 ILE A 13 -4.875 -1.546 1.206 1.00 0.80 H new ATOM 0 HG13 ILE A 13 -5.028 -3.205 0.663 1.00 0.80 H new ATOM 0 HG21 ILE A 13 -6.567 -1.277 3.496 1.00 0.64 H new ATOM 0 HG22 ILE A 13 -5.599 -2.079 4.756 1.00 0.64 H new ATOM 0 HG23 ILE A 13 -4.809 -1.012 3.571 1.00 0.64 H new ATOM 0 HD11 ILE A 13 -6.955 -1.860 -0.078 1.00 0.57 H new ATOM 0 HD12 ILE A 13 -7.474 -3.125 1.061 1.00 0.57 H new ATOM 0 HD13 ILE A 13 -7.319 -1.440 1.613 1.00 0.57 H new ATOM 196 N GLU A 14 -4.626 -5.194 4.863 1.00 0.73 N ATOM 197 CA GLU A 14 -4.529 -5.624 6.255 1.00 0.73 C ATOM 198 C GLU A 14 -3.072 -5.911 6.605 1.00 0.76 C ATOM 199 O GLU A 14 -2.586 -5.490 7.648 1.00 0.79 O ATOM 200 CB GLU A 14 -5.516 -6.733 6.653 1.00 0.77 C ATOM 201 CG GLU A 14 -5.149 -8.154 6.228 1.00 1.67 C ATOM 202 CD GLU A 14 -3.924 -8.723 6.946 1.00 3.12 C ATOM 203 OE1 GLU A 14 -3.805 -8.470 8.166 1.00 3.28 O ATOM 204 OE2 GLU A 14 -3.076 -9.317 6.247 1.00 4.58 O ATOM 0 H GLU A 14 -5.276 -5.729 4.287 1.00 0.73 H new ATOM 0 HA GLU A 14 -4.861 -4.796 6.881 1.00 0.73 H new ATOM 0 HB2 GLU A 14 -5.627 -6.719 7.737 1.00 0.77 H new ATOM 0 HB3 GLU A 14 -6.491 -6.491 6.230 1.00 0.77 H new ATOM 0 HG2 GLU A 14 -6.001 -8.808 6.412 1.00 1.67 H new ATOM 0 HG3 GLU A 14 -4.965 -8.164 5.154 1.00 1.67 H new ATOM 211 N THR A 15 -2.359 -6.547 5.679 1.00 0.79 N ATOM 212 CA THR A 15 -0.983 -6.961 5.877 1.00 0.78 C ATOM 213 C THR A 15 -0.114 -5.780 6.316 1.00 0.69 C ATOM 214 O THR A 15 0.679 -5.924 7.244 1.00 0.77 O ATOM 215 CB THR A 15 -0.472 -7.660 4.612 1.00 0.88 C ATOM 216 OG1 THR A 15 -1.342 -8.727 4.287 1.00 1.06 O ATOM 217 CG2 THR A 15 0.938 -8.227 4.795 1.00 0.91 C ATOM 0 H THR A 15 -2.730 -6.790 4.760 1.00 0.79 H new ATOM 0 HA THR A 15 -0.926 -7.685 6.690 1.00 0.78 H new ATOM 0 HB THR A 15 -0.442 -6.916 3.816 1.00 0.88 H new ATOM 0 HG1 THR A 15 -1.937 -8.906 5.045 1.00 1.06 H new ATOM 0 HG21 THR A 15 1.257 -8.713 3.873 1.00 0.91 H new ATOM 0 HG22 THR A 15 1.627 -7.418 5.036 1.00 0.91 H new ATOM 0 HG23 THR A 15 0.935 -8.955 5.606 1.00 0.91 H new ATOM 225 N VAL A 16 -0.291 -4.595 5.721 1.00 0.60 N ATOM 226 CA VAL A 16 0.450 -3.413 6.129 1.00 0.58 C ATOM 227 C VAL A 16 0.157 -3.091 7.593 1.00 0.56 C ATOM 228 O VAL A 16 1.069 -2.970 8.407 1.00 0.60 O ATOM 229 CB VAL A 16 0.069 -2.224 5.237 1.00 0.61 C ATOM 230 CG1 VAL A 16 0.647 -0.934 5.823 1.00 0.67 C ATOM 231 CG2 VAL A 16 0.577 -2.416 3.805 1.00 0.71 C ATOM 0 H VAL A 16 -0.945 -4.437 4.954 1.00 0.60 H new ATOM 0 HA VAL A 16 1.517 -3.607 6.021 1.00 0.58 H new ATOM 0 HB VAL A 16 -1.019 -2.159 5.204 1.00 0.61 H new ATOM 0 HG11 VAL A 16 0.375 -0.092 5.187 1.00 0.67 H new ATOM 0 HG12 VAL A 16 0.246 -0.778 6.824 1.00 0.67 H new ATOM 0 HG13 VAL A 16 1.733 -1.013 5.875 1.00 0.67 H new ATOM 0 HG21 VAL A 16 0.291 -1.556 3.199 1.00 0.71 H new ATOM 0 HG22 VAL A 16 1.663 -2.508 3.814 1.00 0.71 H new ATOM 0 HG23 VAL A 16 0.139 -3.320 3.382 1.00 0.71 H new ATOM 241 N VAL A 17 -1.118 -2.885 7.920 1.00 0.54 N ATOM 242 CA VAL A 17 -1.513 -2.401 9.237 1.00 0.58 C ATOM 243 C VAL A 17 -1.146 -3.436 10.319 1.00 0.65 C ATOM 244 O VAL A 17 -0.651 -3.085 11.392 1.00 0.79 O ATOM 245 CB VAL A 17 -2.995 -1.980 9.227 1.00 0.57 C ATOM 246 CG1 VAL A 17 -3.263 -0.803 8.278 1.00 0.56 C ATOM 247 CG2 VAL A 17 -3.936 -3.109 8.815 1.00 0.60 C ATOM 0 H VAL A 17 -1.898 -3.048 7.284 1.00 0.54 H new ATOM 0 HA VAL A 17 -0.955 -1.501 9.494 1.00 0.58 H new ATOM 0 HB VAL A 17 -3.195 -1.692 10.259 1.00 0.57 H new ATOM 0 HG11 VAL A 17 -4.322 -0.545 8.308 1.00 0.56 H new ATOM 0 HG12 VAL A 17 -2.671 0.058 8.590 1.00 0.56 H new ATOM 0 HG13 VAL A 17 -2.987 -1.085 7.262 1.00 0.56 H new ATOM 0 HG21 VAL A 17 -4.965 -2.748 8.828 1.00 0.60 H new ATOM 0 HG22 VAL A 17 -3.682 -3.446 7.810 1.00 0.60 H new ATOM 0 HG23 VAL A 17 -3.834 -3.940 9.513 1.00 0.60 H new ATOM 257 N THR A 18 -1.323 -4.718 10.002 1.00 0.64 N ATOM 258 CA THR A 18 -0.817 -5.851 10.755 1.00 0.87 C ATOM 259 C THR A 18 0.685 -5.693 10.974 1.00 0.79 C ATOM 260 O THR A 18 1.162 -5.766 12.105 1.00 0.84 O ATOM 261 CB THR A 18 -1.151 -7.140 9.982 1.00 1.20 C ATOM 262 OG1 THR A 18 -2.488 -7.501 10.264 1.00 2.02 O ATOM 263 CG2 THR A 18 -0.192 -8.286 10.310 1.00 1.06 C ATOM 0 H THR A 18 -1.848 -5.001 9.175 1.00 0.64 H new ATOM 0 HA THR A 18 -1.286 -5.904 11.738 1.00 0.87 H new ATOM 0 HB THR A 18 -1.032 -6.945 8.916 1.00 1.20 H new ATOM 0 HG1 THR A 18 -2.971 -7.648 9.424 1.00 2.02 H new ATOM 0 HG21 THR A 18 -0.473 -9.170 9.738 1.00 1.06 H new ATOM 0 HG22 THR A 18 0.826 -7.994 10.051 1.00 1.06 H new ATOM 0 HG23 THR A 18 -0.245 -8.511 11.375 1.00 1.06 H new ATOM 271 N THR A 19 1.433 -5.489 9.891 1.00 0.72 N ATOM 272 CA THR A 19 2.881 -5.445 9.946 1.00 0.73 C ATOM 273 C THR A 19 3.334 -4.287 10.828 1.00 0.69 C ATOM 274 O THR A 19 4.192 -4.481 11.680 1.00 0.85 O ATOM 275 CB THR A 19 3.442 -5.386 8.525 1.00 0.77 C ATOM 276 OG1 THR A 19 3.208 -6.624 7.896 1.00 1.32 O ATOM 277 CG2 THR A 19 4.941 -5.077 8.492 1.00 0.91 C ATOM 0 H THR A 19 1.048 -5.351 8.957 1.00 0.72 H new ATOM 0 HA THR A 19 3.276 -6.351 10.405 1.00 0.73 H new ATOM 0 HB THR A 19 2.936 -4.574 8.002 1.00 0.77 H new ATOM 0 HG1 THR A 19 2.294 -6.644 7.543 1.00 1.32 H new ATOM 0 HG21 THR A 19 5.284 -5.048 7.458 1.00 0.91 H new ATOM 0 HG22 THR A 19 5.124 -4.111 8.962 1.00 0.91 H new ATOM 0 HG23 THR A 19 5.484 -5.852 9.032 1.00 0.91 H new ATOM 285 N PHE A 20 2.727 -3.105 10.665 1.00 0.67 N ATOM 286 CA PHE A 20 2.934 -1.980 11.571 1.00 0.76 C ATOM 287 C PHE A 20 2.814 -2.455 13.014 1.00 0.92 C ATOM 288 O PHE A 20 3.664 -2.134 13.835 1.00 1.00 O ATOM 289 CB PHE A 20 1.902 -0.870 11.335 1.00 0.88 C ATOM 290 CG PHE A 20 2.240 0.150 10.273 1.00 0.68 C ATOM 291 CD1 PHE A 20 2.838 -0.232 9.059 1.00 1.75 C ATOM 292 CD2 PHE A 20 2.004 1.512 10.536 1.00 1.85 C ATOM 293 CE1 PHE A 20 3.246 0.747 8.141 1.00 1.57 C ATOM 294 CE2 PHE A 20 2.463 2.489 9.645 1.00 2.17 C ATOM 295 CZ PHE A 20 3.073 2.107 8.442 1.00 1.04 C ATOM 0 H PHE A 20 2.081 -2.907 9.901 1.00 0.67 H new ATOM 0 HA PHE A 20 3.930 -1.580 11.379 1.00 0.76 H new ATOM 0 HB2 PHE A 20 0.953 -1.337 11.070 1.00 0.88 H new ATOM 0 HB3 PHE A 20 1.746 -0.343 12.277 1.00 0.88 H new ATOM 0 HD1 PHE A 20 2.983 -1.278 8.834 1.00 1.75 H new ATOM 0 HD2 PHE A 20 1.468 1.804 11.427 1.00 1.85 H new ATOM 0 HE1 PHE A 20 3.693 0.454 7.203 1.00 1.57 H new ATOM 0 HE2 PHE A 20 2.347 3.536 9.884 1.00 2.17 H new ATOM 0 HZ PHE A 20 3.410 2.860 7.746 1.00 1.04 H new ATOM 305 N PHE A 21 1.738 -3.187 13.320 1.00 1.04 N ATOM 306 CA PHE A 21 1.551 -3.777 14.631 1.00 1.23 C ATOM 307 C PHE A 21 2.749 -4.645 15.010 1.00 1.21 C ATOM 308 O PHE A 21 3.373 -4.401 16.039 1.00 1.51 O ATOM 309 CB PHE A 21 0.218 -4.546 14.719 1.00 1.29 C ATOM 310 CG PHE A 21 -0.669 -4.100 15.867 1.00 1.86 C ATOM 311 CD1 PHE A 21 -0.165 -4.087 17.182 1.00 2.23 C ATOM 312 CD2 PHE A 21 -1.991 -3.683 15.622 1.00 3.42 C ATOM 313 CE1 PHE A 21 -0.977 -3.653 18.244 1.00 3.06 C ATOM 314 CE2 PHE A 21 -2.807 -3.261 16.686 1.00 4.23 C ATOM 315 CZ PHE A 21 -2.300 -3.243 17.997 1.00 3.74 C ATOM 0 H PHE A 21 0.982 -3.381 12.664 1.00 1.04 H new ATOM 0 HA PHE A 21 1.492 -2.971 15.362 1.00 1.23 H new ATOM 0 HB2 PHE A 21 -0.325 -4.422 13.782 1.00 1.29 H new ATOM 0 HB3 PHE A 21 0.429 -5.610 14.827 1.00 1.29 H new ATOM 0 HD1 PHE A 21 0.847 -4.411 17.375 1.00 2.23 H new ATOM 0 HD2 PHE A 21 -2.379 -3.687 14.614 1.00 3.42 H new ATOM 0 HE1 PHE A 21 -0.585 -3.634 19.250 1.00 3.06 H new ATOM 0 HE2 PHE A 21 -3.824 -2.950 16.496 1.00 4.23 H new ATOM 0 HZ PHE A 21 -2.926 -2.915 18.814 1.00 3.74 H new ATOM 325 N THR A 22 3.038 -5.679 14.219 1.00 1.07 N ATOM 326 CA THR A 22 3.936 -6.739 14.640 1.00 1.36 C ATOM 327 C THR A 22 4.583 -7.463 13.462 1.00 1.95 C ATOM 328 O THR A 22 3.900 -7.826 12.508 1.00 2.67 O ATOM 329 CB THR A 22 3.134 -7.775 15.447 1.00 2.33 C ATOM 330 OG1 THR A 22 1.964 -8.127 14.733 1.00 2.68 O ATOM 331 CG2 THR A 22 2.735 -7.301 16.848 1.00 4.30 C ATOM 0 H THR A 22 2.658 -5.799 13.280 1.00 1.07 H new ATOM 0 HA THR A 22 4.726 -6.278 15.233 1.00 1.36 H new ATOM 0 HB THR A 22 3.795 -8.632 15.581 1.00 2.33 H new ATOM 0 HG1 THR A 22 2.136 -8.062 13.770 1.00 2.68 H new ATOM 0 HG21 THR A 22 2.173 -8.087 17.352 1.00 4.30 H new ATOM 0 HG22 THR A 22 3.632 -7.070 17.423 1.00 4.30 H new ATOM 0 HG23 THR A 22 2.116 -6.408 16.767 1.00 4.30 H new ATOM 478 N ASP A 31 2.972 4.339 15.704 1.00 1.45 N ATOM 479 CA ASP A 31 2.392 4.016 14.401 1.00 1.47 C ATOM 480 C ASP A 31 3.475 3.453 13.487 1.00 1.63 C ATOM 481 O ASP A 31 3.414 2.285 13.119 1.00 2.09 O ATOM 482 CB ASP A 31 1.615 5.177 13.756 1.00 1.43 C ATOM 483 CG ASP A 31 0.679 4.661 12.663 1.00 2.16 C ATOM 484 OD1 ASP A 31 -0.310 3.983 13.035 1.00 2.93 O ATOM 485 OD2 ASP A 31 0.942 4.937 11.475 1.00 3.17 O ATOM 0 HA ASP A 31 1.632 3.251 14.562 1.00 1.47 H new ATOM 0 HB2 ASP A 31 1.038 5.702 14.517 1.00 1.43 H new ATOM 0 HB3 ASP A 31 2.314 5.898 13.332 1.00 1.43 H new ATOM 490 N SER A 32 4.489 4.265 13.185 1.00 1.51 N ATOM 491 CA SER A 32 5.685 3.837 12.473 1.00 1.58 C ATOM 492 C SER A 32 6.919 4.463 13.133 1.00 1.46 C ATOM 493 O SER A 32 6.847 4.924 14.273 1.00 1.44 O ATOM 494 CB SER A 32 5.560 4.221 10.994 1.00 1.64 C ATOM 495 OG SER A 32 6.568 3.597 10.218 1.00 2.45 O ATOM 0 H SER A 32 4.499 5.254 13.434 1.00 1.51 H new ATOM 0 HA SER A 32 5.796 2.754 12.524 1.00 1.58 H new ATOM 0 HB2 SER A 32 4.578 3.930 10.621 1.00 1.64 H new ATOM 0 HB3 SER A 32 5.633 5.303 10.889 1.00 1.64 H new ATOM 0 HG SER A 32 6.295 3.584 9.277 1.00 2.45 H new ATOM 501 N LEU A 33 8.040 4.459 12.408 1.00 1.54 N ATOM 502 CA LEU A 33 9.339 4.940 12.854 1.00 1.47 C ATOM 503 C LEU A 33 9.464 6.418 12.473 1.00 1.22 C ATOM 504 O LEU A 33 8.461 7.065 12.174 1.00 1.26 O ATOM 505 CB LEU A 33 10.466 4.102 12.214 1.00 1.62 C ATOM 506 CG LEU A 33 10.401 2.577 12.411 1.00 1.74 C ATOM 507 CD1 LEU A 33 10.104 2.175 13.860 1.00 1.93 C ATOM 508 CD2 LEU A 33 9.426 1.904 11.442 1.00 1.69 C ATOM 0 H LEU A 33 8.062 4.103 11.452 1.00 1.54 H new ATOM 0 HA LEU A 33 9.429 4.838 13.935 1.00 1.47 H new ATOM 0 HB2 LEU A 33 10.473 4.305 11.143 1.00 1.62 H new ATOM 0 HB3 LEU A 33 11.418 4.455 12.611 1.00 1.62 H new ATOM 0 HG LEU A 33 11.401 2.211 12.177 1.00 1.74 H new ATOM 0 HD11 LEU A 33 10.070 1.088 13.936 1.00 1.93 H new ATOM 0 HD12 LEU A 33 10.887 2.561 14.512 1.00 1.93 H new ATOM 0 HD13 LEU A 33 9.143 2.590 14.163 1.00 1.93 H new ATOM 0 HD21 LEU A 33 9.417 0.829 11.622 1.00 1.69 H new ATOM 0 HD22 LEU A 33 8.425 2.306 11.596 1.00 1.69 H new ATOM 0 HD23 LEU A 33 9.741 2.097 10.416 1.00 1.69 H new ATOM 520 N SER A 34 10.689 6.948 12.439 1.00 1.07 N ATOM 521 CA SER A 34 10.964 8.259 11.867 1.00 0.85 C ATOM 522 C SER A 34 11.093 8.134 10.349 1.00 0.70 C ATOM 523 O SER A 34 11.203 7.028 9.822 1.00 0.71 O ATOM 524 CB SER A 34 12.196 8.893 12.523 1.00 0.93 C ATOM 525 OG SER A 34 12.108 8.745 13.928 1.00 1.51 O ATOM 0 H SER A 34 11.515 6.477 12.808 1.00 1.07 H new ATOM 0 HA SER A 34 10.133 8.934 12.072 1.00 0.85 H new ATOM 0 HB2 SER A 34 13.104 8.418 12.152 1.00 0.93 H new ATOM 0 HB3 SER A 34 12.259 9.949 12.261 1.00 0.93 H new ATOM 0 HG SER A 34 12.896 9.148 14.349 1.00 1.51 H new ATOM 531 N VAL A 35 11.057 9.252 9.625 1.00 0.64 N ATOM 532 CA VAL A 35 10.859 9.213 8.182 1.00 0.58 C ATOM 533 C VAL A 35 12.125 8.737 7.454 1.00 0.55 C ATOM 534 O VAL A 35 12.105 7.739 6.730 1.00 0.53 O ATOM 535 CB VAL A 35 10.397 10.598 7.721 1.00 0.74 C ATOM 536 CG1 VAL A 35 10.158 10.612 6.218 1.00 0.80 C ATOM 537 CG2 VAL A 35 9.066 10.994 8.374 1.00 0.97 C ATOM 0 H VAL A 35 11.162 10.189 10.014 1.00 0.64 H new ATOM 0 HA VAL A 35 10.088 8.485 7.930 1.00 0.58 H new ATOM 0 HB VAL A 35 11.186 11.294 8.006 1.00 0.74 H new ATOM 0 HG11 VAL A 35 9.830 11.605 5.911 1.00 0.80 H new ATOM 0 HG12 VAL A 35 11.083 10.359 5.700 1.00 0.80 H new ATOM 0 HG13 VAL A 35 9.389 9.882 5.965 1.00 0.80 H new ATOM 0 HG21 VAL A 35 8.769 11.982 8.024 1.00 0.97 H new ATOM 0 HG22 VAL A 35 8.299 10.268 8.105 1.00 0.97 H new ATOM 0 HG23 VAL A 35 9.184 11.013 9.457 1.00 0.97 H new ATOM 547 N ASN A 36 13.235 9.459 7.636 1.00 0.78 N ATOM 548 CA ASN A 36 14.523 9.082 7.055 1.00 0.97 C ATOM 549 C ASN A 36 14.874 7.648 7.477 1.00 0.92 C ATOM 550 O ASN A 36 15.173 6.802 6.638 1.00 0.88 O ATOM 551 CB ASN A 36 15.638 10.064 7.475 1.00 1.35 C ATOM 552 CG ASN A 36 16.264 10.790 6.279 1.00 2.57 C ATOM 553 OD1 ASN A 36 16.579 10.184 5.257 1.00 3.62 O ATOM 554 ND2 ASN A 36 16.456 12.100 6.376 1.00 2.72 N ATOM 0 H ASN A 36 13.264 10.316 8.188 1.00 0.78 H new ATOM 0 HA ASN A 36 14.442 9.128 5.969 1.00 0.97 H new ATOM 0 HB2 ASN A 36 15.228 10.799 8.168 1.00 1.35 H new ATOM 0 HB3 ASN A 36 16.414 9.519 8.012 1.00 1.35 H new ATOM 0 HD21 ASN A 36 16.869 12.614 5.598 1.00 2.72 H new ATOM 0 HD22 ASN A 36 16.191 12.593 7.229 1.00 2.72 H new ATOM 561 N GLU A 37 14.788 7.388 8.788 1.00 1.04 N ATOM 562 CA GLU A 37 14.960 6.075 9.403 1.00 1.17 C ATOM 563 C GLU A 37 14.189 5.022 8.603 1.00 1.01 C ATOM 564 O GLU A 37 14.769 4.091 8.048 1.00 1.12 O ATOM 565 CB GLU A 37 14.475 6.165 10.862 1.00 1.35 C ATOM 566 CG GLU A 37 14.569 4.856 11.659 1.00 1.55 C ATOM 567 CD GLU A 37 16.002 4.389 11.879 1.00 3.08 C ATOM 568 OE1 GLU A 37 16.882 5.273 11.958 1.00 4.18 O ATOM 569 OE2 GLU A 37 16.181 3.159 11.986 1.00 3.79 O ATOM 0 H GLU A 37 14.589 8.118 9.472 1.00 1.04 H new ATOM 0 HA GLU A 37 16.007 5.773 9.399 1.00 1.17 H new ATOM 0 HB2 GLU A 37 15.058 6.929 11.376 1.00 1.35 H new ATOM 0 HB3 GLU A 37 13.438 6.501 10.864 1.00 1.35 H new ATOM 0 HG2 GLU A 37 14.085 4.992 12.626 1.00 1.55 H new ATOM 0 HG3 GLU A 37 14.017 4.077 11.133 1.00 1.55 H new ATOM 576 N PHE A 38 12.869 5.202 8.503 1.00 0.86 N ATOM 577 CA PHE A 38 12.000 4.332 7.734 1.00 0.86 C ATOM 578 C PHE A 38 12.559 4.070 6.334 1.00 0.66 C ATOM 579 O PHE A 38 12.712 2.910 5.961 1.00 0.80 O ATOM 580 CB PHE A 38 10.589 4.915 7.660 1.00 0.92 C ATOM 581 CG PHE A 38 9.749 4.239 6.603 1.00 1.20 C ATOM 582 CD1 PHE A 38 9.250 2.951 6.843 1.00 3.05 C ATOM 583 CD2 PHE A 38 9.587 4.837 5.337 1.00 1.48 C ATOM 584 CE1 PHE A 38 8.551 2.278 5.833 1.00 3.45 C ATOM 585 CE2 PHE A 38 8.844 4.183 4.343 1.00 1.44 C ATOM 586 CZ PHE A 38 8.322 2.905 4.595 1.00 1.99 C ATOM 0 H PHE A 38 12.376 5.968 8.963 1.00 0.86 H new ATOM 0 HA PHE A 38 11.951 3.372 8.247 1.00 0.86 H new ATOM 0 HB2 PHE A 38 10.103 4.811 8.630 1.00 0.92 H new ATOM 0 HB3 PHE A 38 10.649 5.982 7.447 1.00 0.92 H new ATOM 0 HD1 PHE A 38 9.404 2.480 7.803 1.00 3.05 H new ATOM 0 HD2 PHE A 38 10.035 5.798 5.132 1.00 1.48 H new ATOM 0 HE1 PHE A 38 8.187 1.276 6.005 1.00 3.45 H new ATOM 0 HE2 PHE A 38 8.675 4.660 3.389 1.00 1.44 H new ATOM 0 HZ PHE A 38 7.742 2.401 3.836 1.00 1.99 H new ATOM 596 N LYS A 39 12.866 5.123 5.565 1.00 0.49 N ATOM 597 CA LYS A 39 13.452 4.973 4.232 1.00 0.51 C ATOM 598 C LYS A 39 14.639 3.993 4.273 1.00 0.57 C ATOM 599 O LYS A 39 14.748 3.099 3.428 1.00 0.61 O ATOM 600 CB LYS A 39 13.793 6.357 3.645 1.00 0.78 C ATOM 601 CG LYS A 39 14.685 6.326 2.384 1.00 0.92 C ATOM 602 CD LYS A 39 16.172 6.604 2.679 1.00 1.49 C ATOM 603 CE LYS A 39 16.403 8.061 3.129 1.00 2.94 C ATOM 604 NZ LYS A 39 17.715 8.307 3.770 1.00 3.71 N ATOM 0 H LYS A 39 12.716 6.092 5.848 1.00 0.49 H new ATOM 0 HA LYS A 39 12.727 4.527 3.551 1.00 0.51 H new ATOM 0 HB2 LYS A 39 12.863 6.872 3.402 1.00 0.78 H new ATOM 0 HB3 LYS A 39 14.294 6.948 4.412 1.00 0.78 H new ATOM 0 HG2 LYS A 39 14.593 5.350 1.907 1.00 0.92 H new ATOM 0 HG3 LYS A 39 14.319 7.065 1.671 1.00 0.92 H new ATOM 0 HD2 LYS A 39 16.522 5.924 3.455 1.00 1.49 H new ATOM 0 HD3 LYS A 39 16.764 6.401 1.787 1.00 1.49 H new ATOM 0 HE2 LYS A 39 16.309 8.715 2.262 1.00 2.94 H new ATOM 0 HE3 LYS A 39 15.614 8.341 3.827 1.00 2.94 H new ATOM 0 HZ1 LYS A 39 17.668 9.180 4.333 1.00 3.71 H new ATOM 0 HZ2 LYS A 39 17.954 7.507 4.391 1.00 3.71 H new ATOM 0 HZ3 LYS A 39 18.446 8.407 3.037 1.00 3.71 H new ATOM 618 N GLU A 40 15.512 4.150 5.270 1.00 0.71 N ATOM 619 CA GLU A 40 16.696 3.319 5.437 1.00 0.95 C ATOM 620 C GLU A 40 16.359 1.905 5.934 1.00 1.05 C ATOM 621 O GLU A 40 17.111 0.971 5.661 1.00 1.37 O ATOM 622 CB GLU A 40 17.745 4.066 6.275 1.00 1.35 C ATOM 623 CG GLU A 40 18.081 5.362 5.521 1.00 1.47 C ATOM 624 CD GLU A 40 19.133 6.248 6.154 1.00 2.10 C ATOM 625 OE1 GLU A 40 19.930 5.751 6.972 1.00 2.40 O ATOM 626 OE2 GLU A 40 19.106 7.430 5.739 1.00 3.06 O ATOM 0 H GLU A 40 15.412 4.866 5.989 1.00 0.71 H new ATOM 0 HA GLU A 40 17.148 3.142 4.461 1.00 0.95 H new ATOM 0 HB2 GLU A 40 17.358 4.288 7.270 1.00 1.35 H new ATOM 0 HB3 GLU A 40 18.638 3.455 6.409 1.00 1.35 H new ATOM 0 HG2 GLU A 40 18.414 5.098 4.517 1.00 1.47 H new ATOM 0 HG3 GLU A 40 17.165 5.942 5.411 1.00 1.47 H new ATOM 633 N LEU A 41 15.205 1.701 6.577 1.00 0.92 N ATOM 634 CA LEU A 41 14.669 0.355 6.751 1.00 1.07 C ATOM 635 C LEU A 41 14.214 -0.197 5.396 1.00 1.07 C ATOM 636 O LEU A 41 14.715 -1.221 4.945 1.00 1.36 O ATOM 637 CB LEU A 41 13.523 0.312 7.778 1.00 1.08 C ATOM 638 CG LEU A 41 13.999 0.062 9.217 1.00 1.38 C ATOM 639 CD1 LEU A 41 14.894 1.188 9.742 1.00 2.95 C ATOM 640 CD2 LEU A 41 12.776 -0.073 10.132 1.00 1.81 C ATOM 0 H LEU A 41 14.633 2.443 6.980 1.00 0.92 H new ATOM 0 HA LEU A 41 15.465 -0.276 7.148 1.00 1.07 H new ATOM 0 HB2 LEU A 41 12.978 1.256 7.743 1.00 1.08 H new ATOM 0 HB3 LEU A 41 12.821 -0.472 7.495 1.00 1.08 H new ATOM 0 HG LEU A 41 14.590 -0.854 9.214 1.00 1.38 H new ATOM 0 HD11 LEU A 41 15.203 0.962 10.763 1.00 2.95 H new ATOM 0 HD12 LEU A 41 15.776 1.278 9.108 1.00 2.95 H new ATOM 0 HD13 LEU A 41 14.342 2.128 9.730 1.00 2.95 H new ATOM 0 HD21 LEU A 41 13.105 -0.251 11.156 1.00 1.81 H new ATOM 0 HD22 LEU A 41 12.190 0.845 10.094 1.00 1.81 H new ATOM 0 HD23 LEU A 41 12.162 -0.910 9.798 1.00 1.81 H new ATOM 652 N VAL A 42 13.260 0.438 4.714 1.00 0.80 N ATOM 653 CA VAL A 42 12.685 -0.181 3.518 1.00 0.76 C ATOM 654 C VAL A 42 13.737 -0.478 2.444 1.00 0.76 C ATOM 655 O VAL A 42 13.731 -1.578 1.893 1.00 0.86 O ATOM 656 CB VAL A 42 11.419 0.533 3.010 1.00 0.66 C ATOM 657 CG1 VAL A 42 10.283 0.255 3.994 1.00 1.72 C ATOM 658 CG2 VAL A 42 11.606 2.039 2.820 1.00 1.42 C ATOM 0 H VAL A 42 12.878 1.352 4.958 1.00 0.80 H new ATOM 0 HA VAL A 42 12.321 -1.163 3.821 1.00 0.76 H new ATOM 0 HB VAL A 42 11.185 0.138 2.021 1.00 0.66 H new ATOM 0 HG11 VAL A 42 9.376 0.753 3.652 1.00 1.72 H new ATOM 0 HG12 VAL A 42 10.108 -0.819 4.053 1.00 1.72 H new ATOM 0 HG13 VAL A 42 10.555 0.633 4.980 1.00 1.72 H new ATOM 0 HG21 VAL A 42 10.676 2.479 2.461 1.00 1.42 H new ATOM 0 HG22 VAL A 42 11.879 2.495 3.772 1.00 1.42 H new ATOM 0 HG23 VAL A 42 12.397 2.218 2.092 1.00 1.42 H new ATOM 668 N THR A 43 14.695 0.424 2.195 1.00 0.77 N ATOM 669 CA THR A 43 15.779 0.106 1.262 1.00 0.91 C ATOM 670 C THR A 43 16.437 -1.241 1.616 1.00 1.06 C ATOM 671 O THR A 43 16.736 -2.046 0.738 1.00 1.19 O ATOM 672 CB THR A 43 16.792 1.265 1.179 1.00 0.95 C ATOM 673 OG1 THR A 43 17.523 1.212 -0.028 1.00 1.34 O ATOM 674 CG2 THR A 43 17.792 1.258 2.336 1.00 1.02 C ATOM 0 H THR A 43 14.742 1.353 2.613 1.00 0.77 H new ATOM 0 HA THR A 43 15.356 -0.010 0.264 1.00 0.91 H new ATOM 0 HB THR A 43 16.200 2.179 1.230 1.00 0.95 H new ATOM 0 HG1 THR A 43 18.158 1.958 -0.059 1.00 1.34 H new ATOM 0 HG21 THR A 43 18.481 2.096 2.227 1.00 1.02 H new ATOM 0 HG22 THR A 43 17.256 1.350 3.281 1.00 1.02 H new ATOM 0 HG23 THR A 43 18.353 0.323 2.327 1.00 1.02 H new ATOM 682 N GLN A 44 16.610 -1.513 2.915 1.00 1.10 N ATOM 683 CA GLN A 44 17.161 -2.760 3.408 1.00 1.26 C ATOM 684 C GLN A 44 16.154 -3.902 3.212 1.00 1.21 C ATOM 685 O GLN A 44 16.538 -4.980 2.769 1.00 1.29 O ATOM 686 CB GLN A 44 17.552 -2.576 4.882 1.00 1.41 C ATOM 687 CG GLN A 44 18.279 -3.795 5.450 1.00 1.62 C ATOM 688 CD GLN A 44 18.430 -3.714 6.967 1.00 2.00 C ATOM 689 OE1 GLN A 44 19.535 -3.816 7.490 1.00 3.26 O ATOM 690 NE2 GLN A 44 17.328 -3.548 7.697 1.00 2.37 N ATOM 0 H GLN A 44 16.364 -0.857 3.656 1.00 1.10 H new ATOM 0 HA GLN A 44 18.055 -3.030 2.845 1.00 1.26 H new ATOM 0 HB2 GLN A 44 18.191 -1.698 4.978 1.00 1.41 H new ATOM 0 HB3 GLN A 44 16.655 -2.384 5.471 1.00 1.41 H new ATOM 0 HG2 GLN A 44 17.730 -4.699 5.188 1.00 1.62 H new ATOM 0 HG3 GLN A 44 19.264 -3.876 4.991 1.00 1.62 H new ATOM 0 HE21 GLN A 44 16.420 -3.466 7.239 1.00 2.37 H new ATOM 0 HE22 GLN A 44 17.392 -3.503 8.714 1.00 2.37 H new ATOM 699 N GLN A 45 14.879 -3.686 3.558 1.00 1.12 N ATOM 700 CA GLN A 45 13.859 -4.733 3.492 1.00 1.09 C ATOM 701 C GLN A 45 13.540 -5.178 2.063 1.00 0.95 C ATOM 702 O GLN A 45 12.993 -6.270 1.905 1.00 0.98 O ATOM 703 CB GLN A 45 12.545 -4.318 4.165 1.00 1.06 C ATOM 704 CG GLN A 45 12.601 -3.892 5.645 1.00 1.47 C ATOM 705 CD GLN A 45 13.903 -4.198 6.399 1.00 1.70 C ATOM 706 OE1 GLN A 45 14.618 -3.299 6.831 1.00 2.56 O ATOM 707 NE2 GLN A 45 14.225 -5.467 6.616 1.00 2.32 N ATOM 0 H GLN A 45 14.530 -2.787 3.889 1.00 1.12 H new ATOM 0 HA GLN A 45 14.302 -5.569 4.033 1.00 1.09 H new ATOM 0 HB2 GLN A 45 12.122 -3.491 3.594 1.00 1.06 H new ATOM 0 HB3 GLN A 45 11.848 -5.152 4.082 1.00 1.06 H new ATOM 0 HG2 GLN A 45 12.421 -2.818 5.698 1.00 1.47 H new ATOM 0 HG3 GLN A 45 11.780 -4.379 6.171 1.00 1.47 H new ATOM 0 HE21 GLN A 45 13.630 -6.213 6.256 1.00 2.32 H new ATOM 0 HE22 GLN A 45 15.068 -5.696 7.143 1.00 2.32 H new ATOM 716 N LEU A 46 13.843 -4.362 1.046 1.00 0.91 N ATOM 717 CA LEU A 46 13.599 -4.693 -0.359 1.00 0.86 C ATOM 718 C LEU A 46 14.895 -5.133 -1.098 1.00 0.99 C ATOM 719 O LEU A 46 15.206 -4.553 -2.141 1.00 1.38 O ATOM 720 CB LEU A 46 12.983 -3.447 -1.051 1.00 0.92 C ATOM 721 CG LEU A 46 11.514 -3.075 -0.752 1.00 1.03 C ATOM 722 CD1 LEU A 46 11.282 -2.325 0.554 1.00 1.28 C ATOM 723 CD2 LEU A 46 10.950 -2.208 -1.886 1.00 1.71 C ATOM 0 H LEU A 46 14.269 -3.445 1.179 1.00 0.91 H new ATOM 0 HA LEU A 46 12.914 -5.540 -0.403 1.00 0.86 H new ATOM 0 HB2 LEU A 46 13.600 -2.587 -0.790 1.00 0.92 H new ATOM 0 HB3 LEU A 46 13.074 -3.590 -2.128 1.00 0.92 H new ATOM 0 HG LEU A 46 11.006 -4.036 -0.663 1.00 1.03 H new ATOM 0 HD11 LEU A 46 10.219 -2.112 0.668 1.00 1.28 H new ATOM 0 HD12 LEU A 46 11.621 -2.937 1.390 1.00 1.28 H new ATOM 0 HD13 LEU A 46 11.840 -1.389 0.540 1.00 1.28 H new ATOM 0 HD21 LEU A 46 9.914 -1.951 -1.666 1.00 1.71 H new ATOM 0 HD22 LEU A 46 11.540 -1.296 -1.974 1.00 1.71 H new ATOM 0 HD23 LEU A 46 10.995 -2.761 -2.824 1.00 1.71 H new ATOM 735 N PRO A 47 15.649 -6.182 -0.698 1.00 0.90 N ATOM 736 CA PRO A 47 16.984 -6.445 -1.243 1.00 0.98 C ATOM 737 C PRO A 47 16.947 -7.234 -2.562 1.00 1.03 C ATOM 738 O PRO A 47 17.714 -8.181 -2.761 1.00 1.27 O ATOM 739 CB PRO A 47 17.693 -7.227 -0.137 1.00 1.17 C ATOM 740 CG PRO A 47 16.561 -8.115 0.368 1.00 1.21 C ATOM 741 CD PRO A 47 15.384 -7.139 0.368 1.00 0.97 C ATOM 0 HA PRO A 47 17.499 -5.520 -1.503 1.00 0.98 H new ATOM 0 HB2 PRO A 47 18.534 -7.808 -0.517 1.00 1.17 H new ATOM 0 HB3 PRO A 47 18.084 -6.574 0.643 1.00 1.17 H new ATOM 0 HG2 PRO A 47 16.386 -8.969 -0.287 1.00 1.21 H new ATOM 0 HG3 PRO A 47 16.764 -8.513 1.362 1.00 1.21 H new ATOM 0 HD2 PRO A 47 14.444 -7.663 0.196 1.00 0.97 H new ATOM 0 HD3 PRO A 47 15.296 -6.635 1.331 1.00 0.97 H new ATOM 749 N HIS A 48 16.047 -6.860 -3.468 1.00 1.15 N ATOM 750 CA HIS A 48 15.978 -7.405 -4.815 1.00 1.32 C ATOM 751 C HIS A 48 16.964 -6.714 -5.761 1.00 1.45 C ATOM 752 O HIS A 48 18.029 -7.265 -6.028 1.00 2.50 O ATOM 753 CB HIS A 48 14.535 -7.514 -5.317 1.00 1.64 C ATOM 754 CG HIS A 48 13.668 -6.279 -5.336 1.00 1.86 C ATOM 755 ND1 HIS A 48 13.679 -5.201 -4.474 1.00 3.61 N ATOM 756 CD2 HIS A 48 12.525 -6.184 -6.081 1.00 2.48 C ATOM 757 CE1 HIS A 48 12.570 -4.488 -4.712 1.00 4.93 C ATOM 758 NE2 HIS A 48 11.822 -5.052 -5.672 1.00 4.17 N ATOM 0 H HIS A 48 15.333 -6.156 -3.280 1.00 1.15 H new ATOM 0 HA HIS A 48 16.322 -8.439 -4.788 1.00 1.32 H new ATOM 0 HB2 HIS A 48 14.570 -7.906 -6.333 1.00 1.64 H new ATOM 0 HB3 HIS A 48 14.030 -8.260 -4.704 1.00 1.64 H new ATOM 0 HD1 HIS A 48 14.398 -4.987 -3.783 1.00 3.61 H new ATOM 0 HD2 HIS A 48 12.219 -6.871 -6.856 1.00 2.48 H new ATOM 0 HE1 HIS A 48 12.311 -3.575 -4.196 1.00 4.93 H new ATOM 766 N LEU A 49 16.614 -5.527 -6.276 1.00 1.08 N ATOM 767 CA LEU A 49 17.430 -4.794 -7.246 1.00 1.20 C ATOM 768 C LEU A 49 17.869 -3.438 -6.682 1.00 1.13 C ATOM 769 O LEU A 49 19.054 -3.124 -6.702 1.00 1.34 O ATOM 770 CB LEU A 49 16.663 -4.634 -8.574 1.00 1.30 C ATOM 771 CG LEU A 49 17.531 -4.750 -9.840 1.00 1.69 C ATOM 772 CD1 LEU A 49 18.796 -3.884 -9.792 1.00 2.19 C ATOM 773 CD2 LEU A 49 17.905 -6.209 -10.134 1.00 2.76 C ATOM 0 H LEU A 49 15.749 -5.047 -6.027 1.00 1.08 H new ATOM 0 HA LEU A 49 18.335 -5.368 -7.445 1.00 1.20 H new ATOM 0 HB2 LEU A 49 15.879 -5.390 -8.618 1.00 1.30 H new ATOM 0 HB3 LEU A 49 16.169 -3.662 -8.577 1.00 1.30 H new ATOM 0 HG LEU A 49 16.912 -4.369 -10.652 1.00 1.69 H new ATOM 0 HD11 LEU A 49 19.361 -4.014 -10.715 1.00 2.19 H new ATOM 0 HD12 LEU A 49 18.516 -2.836 -9.682 1.00 2.19 H new ATOM 0 HD13 LEU A 49 19.412 -4.186 -8.945 1.00 2.19 H new ATOM 0 HD21 LEU A 49 18.518 -6.253 -11.034 1.00 2.76 H new ATOM 0 HD22 LEU A 49 18.466 -6.617 -9.293 1.00 2.76 H new ATOM 0 HD23 LEU A 49 16.998 -6.794 -10.284 1.00 2.76 H new ATOM 785 N LEU A 50 16.910 -2.637 -6.201 1.00 1.00 N ATOM 786 CA LEU A 50 17.137 -1.303 -5.647 1.00 1.08 C ATOM 787 C LEU A 50 17.784 -0.398 -6.698 1.00 1.08 C ATOM 788 O LEU A 50 18.855 0.169 -6.503 1.00 1.27 O ATOM 789 CB LEU A 50 17.930 -1.378 -4.339 1.00 1.44 C ATOM 790 CG LEU A 50 17.148 -2.153 -3.268 1.00 1.71 C ATOM 791 CD1 LEU A 50 18.134 -2.713 -2.247 1.00 3.58 C ATOM 792 CD2 LEU A 50 16.114 -1.260 -2.575 1.00 2.22 C ATOM 0 H LEU A 50 15.927 -2.910 -6.188 1.00 1.00 H new ATOM 0 HA LEU A 50 16.179 -0.852 -5.389 1.00 1.08 H new ATOM 0 HB2 LEU A 50 18.889 -1.864 -4.518 1.00 1.44 H new ATOM 0 HB3 LEU A 50 18.145 -0.371 -3.981 1.00 1.44 H new ATOM 0 HG LEU A 50 16.605 -2.967 -3.748 1.00 1.71 H new ATOM 0 HD11 LEU A 50 17.590 -3.266 -1.481 1.00 3.58 H new ATOM 0 HD12 LEU A 50 18.836 -3.381 -2.747 1.00 3.58 H new ATOM 0 HD13 LEU A 50 18.682 -1.893 -1.783 1.00 3.58 H new ATOM 0 HD21 LEU A 50 15.578 -1.840 -1.823 1.00 2.22 H new ATOM 0 HD22 LEU A 50 16.620 -0.422 -2.095 1.00 2.22 H new ATOM 0 HD23 LEU A 50 15.407 -0.882 -3.313 1.00 2.22 H new ATOM 804 N LYS A 51 17.117 -0.310 -7.851 1.00 0.96 N ATOM 805 CA LYS A 51 17.559 0.492 -8.988 1.00 1.02 C ATOM 806 C LYS A 51 17.170 1.965 -8.816 1.00 0.96 C ATOM 807 O LYS A 51 17.824 2.851 -9.358 1.00 1.04 O ATOM 808 CB LYS A 51 17.004 -0.113 -10.283 1.00 1.07 C ATOM 809 CG LYS A 51 15.471 -0.055 -10.359 1.00 1.00 C ATOM 810 CD LYS A 51 14.963 1.212 -11.067 1.00 1.16 C ATOM 811 CE LYS A 51 14.767 1.042 -12.576 1.00 1.41 C ATOM 812 NZ LYS A 51 16.054 0.901 -13.288 1.00 2.03 N ATOM 0 H LYS A 51 16.240 -0.803 -8.021 1.00 0.96 H new ATOM 0 HA LYS A 51 18.647 0.472 -9.043 1.00 1.02 H new ATOM 0 HB2 LYS A 51 17.426 0.418 -11.136 1.00 1.07 H new ATOM 0 HB3 LYS A 51 17.328 -1.151 -10.362 1.00 1.07 H new ATOM 0 HG2 LYS A 51 15.103 -0.935 -10.887 1.00 1.00 H new ATOM 0 HG3 LYS A 51 15.059 -0.094 -9.351 1.00 1.00 H new ATOM 0 HD2 LYS A 51 14.016 1.512 -10.619 1.00 1.16 H new ATOM 0 HD3 LYS A 51 15.670 2.023 -10.891 1.00 1.16 H new ATOM 0 HE2 LYS A 51 14.150 0.164 -12.765 1.00 1.41 H new ATOM 0 HE3 LYS A 51 14.226 1.902 -12.971 1.00 1.41 H new ATOM 0 HZ1 LYS A 51 15.891 0.958 -14.314 1.00 2.03 H new ATOM 0 HZ2 LYS A 51 16.698 1.664 -12.996 1.00 2.03 H new ATOM 0 HZ3 LYS A 51 16.480 -0.019 -13.056 1.00 2.03 H new ATOM 826 N ASP A 52 16.041 2.169 -8.135 1.00 0.89 N ATOM 827 CA ASP A 52 15.542 3.356 -7.473 1.00 0.90 C ATOM 828 C ASP A 52 15.947 4.679 -8.122 1.00 0.87 C ATOM 829 O ASP A 52 16.989 5.251 -7.813 1.00 1.13 O ATOM 830 CB ASP A 52 15.828 3.243 -5.966 1.00 1.29 C ATOM 831 CG ASP A 52 15.325 1.932 -5.349 1.00 1.64 C ATOM 832 OD1 ASP A 52 14.885 1.049 -6.128 1.00 2.66 O ATOM 833 OD2 ASP A 52 15.429 1.805 -4.111 1.00 2.10 O ATOM 0 H ASP A 52 15.378 1.402 -8.027 1.00 0.89 H new ATOM 0 HA ASP A 52 14.461 3.394 -7.606 1.00 0.90 H new ATOM 0 HB2 ASP A 52 16.902 3.326 -5.800 1.00 1.29 H new ATOM 0 HB3 ASP A 52 15.360 4.082 -5.451 1.00 1.29 H new ATOM 838 N VAL A 53 15.095 5.163 -9.030 1.00 0.81 N ATOM 839 CA VAL A 53 15.283 6.397 -9.777 1.00 0.93 C ATOM 840 C VAL A 53 13.943 7.136 -9.840 1.00 0.81 C ATOM 841 O VAL A 53 12.882 6.524 -9.695 1.00 1.33 O ATOM 842 CB VAL A 53 15.863 6.061 -11.165 1.00 1.53 C ATOM 843 CG1 VAL A 53 14.898 5.224 -12.020 1.00 1.91 C ATOM 844 CG2 VAL A 53 16.280 7.317 -11.939 1.00 2.28 C ATOM 0 H VAL A 53 14.226 4.685 -9.269 1.00 0.81 H new ATOM 0 HA VAL A 53 15.997 7.061 -9.290 1.00 0.93 H new ATOM 0 HB VAL A 53 16.753 5.462 -10.970 1.00 1.53 H new ATOM 0 HG11 VAL A 53 15.356 5.016 -12.987 1.00 1.91 H new ATOM 0 HG12 VAL A 53 14.682 4.285 -11.511 1.00 1.91 H new ATOM 0 HG13 VAL A 53 13.971 5.777 -12.169 1.00 1.91 H new ATOM 0 HG21 VAL A 53 16.682 7.029 -12.910 1.00 2.28 H new ATOM 0 HG22 VAL A 53 15.412 7.961 -12.082 1.00 2.28 H new ATOM 0 HG23 VAL A 53 17.042 7.855 -11.376 1.00 2.28 H new ATOM 854 N GLY A 54 13.979 8.456 -10.038 1.00 0.85 N ATOM 855 CA GLY A 54 12.786 9.281 -10.153 1.00 1.03 C ATOM 856 C GLY A 54 12.109 9.433 -8.795 1.00 0.95 C ATOM 857 O GLY A 54 12.316 10.431 -8.111 1.00 1.05 O ATOM 0 H GLY A 54 14.849 8.982 -10.123 1.00 0.85 H new ATOM 0 HA2 GLY A 54 13.052 10.263 -10.545 1.00 1.03 H new ATOM 0 HA3 GLY A 54 12.093 8.831 -10.863 1.00 1.03 H new ATOM 861 N SER A 55 11.342 8.424 -8.371 1.00 0.93 N ATOM 862 CA SER A 55 10.714 8.482 -7.057 1.00 0.99 C ATOM 863 C SER A 55 11.726 8.414 -5.915 1.00 0.88 C ATOM 864 O SER A 55 11.412 8.806 -4.795 1.00 0.95 O ATOM 865 CB SER A 55 9.515 7.544 -6.902 1.00 1.19 C ATOM 866 OG SER A 55 8.462 7.984 -7.726 1.00 1.41 O ATOM 0 H SER A 55 11.147 7.578 -8.907 1.00 0.93 H new ATOM 0 HA SER A 55 10.272 9.476 -6.982 1.00 0.99 H new ATOM 0 HB2 SER A 55 9.799 6.526 -7.170 1.00 1.19 H new ATOM 0 HB3 SER A 55 9.191 7.521 -5.862 1.00 1.19 H new ATOM 0 HG SER A 55 8.224 8.905 -7.489 1.00 1.41 H new ATOM 872 N LEU A 56 12.955 7.961 -6.179 1.00 0.80 N ATOM 873 CA LEU A 56 14.042 8.167 -5.236 1.00 0.82 C ATOM 874 C LEU A 56 14.149 9.665 -4.939 1.00 0.80 C ATOM 875 O LEU A 56 13.926 10.095 -3.809 1.00 0.76 O ATOM 876 CB LEU A 56 15.343 7.598 -5.830 1.00 0.94 C ATOM 877 CG LEU A 56 16.623 8.079 -5.124 1.00 1.44 C ATOM 878 CD1 LEU A 56 16.550 7.844 -3.616 1.00 2.12 C ATOM 879 CD2 LEU A 56 17.845 7.351 -5.693 1.00 3.05 C ATOM 0 H LEU A 56 13.214 7.457 -7.027 1.00 0.80 H new ATOM 0 HA LEU A 56 13.855 7.645 -4.297 1.00 0.82 H new ATOM 0 HB2 LEU A 56 15.304 6.510 -5.785 1.00 0.94 H new ATOM 0 HB3 LEU A 56 15.398 7.872 -6.884 1.00 0.94 H new ATOM 0 HG LEU A 56 16.716 9.150 -5.302 1.00 1.44 H new ATOM 0 HD11 LEU A 56 17.470 8.195 -3.148 1.00 2.12 H new ATOM 0 HD12 LEU A 56 15.702 8.390 -3.203 1.00 2.12 H new ATOM 0 HD13 LEU A 56 16.426 6.779 -3.419 1.00 2.12 H new ATOM 0 HD21 LEU A 56 18.745 7.699 -5.186 1.00 3.05 H new ATOM 0 HD22 LEU A 56 17.734 6.278 -5.538 1.00 3.05 H new ATOM 0 HD23 LEU A 56 17.927 7.557 -6.760 1.00 3.05 H new ATOM 891 N ASP A 57 14.437 10.458 -5.974 1.00 0.93 N ATOM 892 CA ASP A 57 14.518 11.909 -5.884 1.00 1.04 C ATOM 893 C ASP A 57 13.246 12.473 -5.246 1.00 1.02 C ATOM 894 O ASP A 57 13.326 13.061 -4.169 1.00 1.04 O ATOM 895 CB ASP A 57 14.794 12.526 -7.265 1.00 1.28 C ATOM 896 CG ASP A 57 14.748 14.046 -7.206 1.00 1.92 C ATOM 897 OD1 ASP A 57 13.637 14.609 -7.097 1.00 2.61 O ATOM 898 OD2 ASP A 57 15.820 14.692 -7.167 1.00 2.68 O ATOM 0 H ASP A 57 14.623 10.099 -6.911 1.00 0.93 H new ATOM 0 HA ASP A 57 15.356 12.178 -5.240 1.00 1.04 H new ATOM 0 HB2 ASP A 57 15.772 12.202 -7.622 1.00 1.28 H new ATOM 0 HB3 ASP A 57 14.057 12.164 -7.982 1.00 1.28 H new ATOM 903 N GLU A 58 12.084 12.257 -5.875 1.00 1.08 N ATOM 904 CA GLU A 58 10.810 12.826 -5.430 1.00 1.24 C ATOM 905 C GLU A 58 10.633 12.590 -3.923 1.00 1.13 C ATOM 906 O GLU A 58 10.387 13.513 -3.141 1.00 1.28 O ATOM 907 CB GLU A 58 9.636 12.215 -6.225 1.00 1.36 C ATOM 908 CG GLU A 58 9.725 12.425 -7.755 1.00 2.32 C ATOM 909 CD GLU A 58 9.038 11.336 -8.583 1.00 3.70 C ATOM 910 OE1 GLU A 58 8.264 10.527 -8.031 1.00 4.49 O ATOM 911 OE2 GLU A 58 9.318 11.234 -9.798 1.00 4.94 O ATOM 0 H GLU A 58 12.003 11.679 -6.712 1.00 1.08 H new ATOM 0 HA GLU A 58 10.817 13.900 -5.616 1.00 1.24 H new ATOM 0 HB2 GLU A 58 9.591 11.146 -6.019 1.00 1.36 H new ATOM 0 HB3 GLU A 58 8.703 12.649 -5.864 1.00 1.36 H new ATOM 0 HG2 GLU A 58 9.280 13.389 -8.004 1.00 2.32 H new ATOM 0 HG3 GLU A 58 10.775 12.475 -8.042 1.00 2.32 H new ATOM 918 N LYS A 59 10.824 11.338 -3.510 1.00 0.94 N ATOM 919 CA LYS A 59 10.597 10.916 -2.147 1.00 0.97 C ATOM 920 C LYS A 59 11.677 11.448 -1.217 1.00 0.94 C ATOM 921 O LYS A 59 11.373 11.749 -0.070 1.00 0.98 O ATOM 922 CB LYS A 59 10.565 9.395 -2.097 1.00 0.91 C ATOM 923 CG LYS A 59 9.946 8.858 -0.811 1.00 0.71 C ATOM 924 CD LYS A 59 9.571 7.382 -0.965 1.00 0.71 C ATOM 925 CE LYS A 59 10.715 6.421 -1.273 1.00 0.79 C ATOM 926 NZ LYS A 59 11.154 6.486 -2.689 1.00 1.00 N ATOM 0 H LYS A 59 11.143 10.589 -4.124 1.00 0.94 H new ATOM 0 HA LYS A 59 9.642 11.319 -1.809 1.00 0.97 H new ATOM 0 HB2 LYS A 59 10.000 9.020 -2.951 1.00 0.91 H new ATOM 0 HB3 LYS A 59 11.581 9.012 -2.193 1.00 0.91 H new ATOM 0 HG2 LYS A 59 10.649 8.975 0.013 1.00 0.71 H new ATOM 0 HG3 LYS A 59 9.059 9.439 -0.558 1.00 0.71 H new ATOM 0 HD2 LYS A 59 9.088 7.054 -0.045 1.00 0.71 H new ATOM 0 HD3 LYS A 59 8.831 7.299 -1.761 1.00 0.71 H new ATOM 0 HE2 LYS A 59 11.560 6.650 -0.624 1.00 0.79 H new ATOM 0 HE3 LYS A 59 10.401 5.403 -1.041 1.00 0.79 H new ATOM 0 HZ1 LYS A 59 11.955 5.838 -2.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 10.367 6.208 -3.310 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 11.449 7.457 -2.917 1.00 1.00 H new ATOM 940 N MET A 60 12.932 11.545 -1.670 1.00 0.95 N ATOM 941 CA MET A 60 14.034 11.997 -0.834 1.00 1.00 C ATOM 942 C MET A 60 13.679 13.351 -0.230 1.00 1.13 C ATOM 943 O MET A 60 13.884 13.573 0.961 1.00 1.18 O ATOM 944 CB MET A 60 15.332 12.052 -1.653 1.00 1.11 C ATOM 945 CG MET A 60 16.531 12.533 -0.828 1.00 1.42 C ATOM 946 SD MET A 60 18.090 12.542 -1.747 1.00 1.70 S ATOM 947 CE MET A 60 19.196 13.197 -0.477 1.00 2.73 C ATOM 0 H MET A 60 13.205 11.312 -2.625 1.00 0.95 H new ATOM 0 HA MET A 60 14.200 11.294 -0.018 1.00 1.00 H new ATOM 0 HB2 MET A 60 15.546 11.061 -2.054 1.00 1.11 H new ATOM 0 HB3 MET A 60 15.192 12.717 -2.505 1.00 1.11 H new ATOM 0 HG2 MET A 60 16.329 13.540 -0.463 1.00 1.42 H new ATOM 0 HG3 MET A 60 16.639 11.892 0.047 1.00 1.42 H new ATOM 0 HE1 MET A 60 20.207 13.269 -0.877 1.00 2.73 H new ATOM 0 HE2 MET A 60 18.855 14.186 -0.173 1.00 2.73 H new ATOM 0 HE3 MET A 60 19.194 12.531 0.386 1.00 2.73 H new ATOM 957 N LYS A 61 13.106 14.238 -1.048 1.00 1.23 N ATOM 958 CA LYS A 61 12.691 15.552 -0.579 1.00 1.42 C ATOM 959 C LYS A 61 11.541 15.359 0.410 1.00 1.48 C ATOM 960 O LYS A 61 11.572 15.881 1.523 1.00 1.66 O ATOM 961 CB LYS A 61 12.289 16.465 -1.752 1.00 1.55 C ATOM 962 CG LYS A 61 13.472 16.922 -2.625 1.00 1.85 C ATOM 963 CD LYS A 61 13.972 15.807 -3.543 1.00 2.28 C ATOM 964 CE LYS A 61 15.122 16.185 -4.483 1.00 3.19 C ATOM 965 NZ LYS A 61 14.667 16.580 -5.828 1.00 3.15 N ATOM 0 H LYS A 61 12.921 14.065 -2.036 1.00 1.23 H new ATOM 0 HA LYS A 61 13.522 16.050 -0.080 1.00 1.42 H new ATOM 0 HB2 LYS A 61 11.570 15.938 -2.379 1.00 1.55 H new ATOM 0 HB3 LYS A 61 11.782 17.345 -1.357 1.00 1.55 H new ATOM 0 HG2 LYS A 61 13.168 17.778 -3.227 1.00 1.85 H new ATOM 0 HG3 LYS A 61 14.288 17.256 -1.984 1.00 1.85 H new ATOM 0 HD2 LYS A 61 14.293 14.969 -2.924 1.00 2.28 H new ATOM 0 HD3 LYS A 61 13.135 15.455 -4.146 1.00 2.28 H new ATOM 0 HE2 LYS A 61 15.688 17.006 -4.042 1.00 3.19 H new ATOM 0 HE3 LYS A 61 15.804 15.339 -4.571 1.00 3.19 H new ATOM 0 HZ1 LYS A 61 15.398 16.337 -6.527 1.00 3.15 H new ATOM 0 HZ2 LYS A 61 13.787 16.077 -6.058 1.00 3.15 H new ATOM 0 HZ3 LYS A 61 14.495 17.605 -5.849 1.00 3.15 H new ATOM 979 N SER A 62 10.544 14.568 0.006 1.00 1.40 N ATOM 980 CA SER A 62 9.384 14.267 0.839 1.00 1.61 C ATOM 981 C SER A 62 9.794 13.728 2.216 1.00 1.74 C ATOM 982 O SER A 62 9.105 13.992 3.199 1.00 2.12 O ATOM 983 CB SER A 62 8.434 13.298 0.124 1.00 1.62 C ATOM 984 OG SER A 62 7.154 13.347 0.725 1.00 2.16 O ATOM 0 H SER A 62 10.521 14.119 -0.910 1.00 1.40 H new ATOM 0 HA SER A 62 8.851 15.203 1.007 1.00 1.61 H new ATOM 0 HB2 SER A 62 8.360 13.560 -0.931 1.00 1.62 H new ATOM 0 HB3 SER A 62 8.830 12.284 0.174 1.00 1.62 H new ATOM 0 HG SER A 62 6.552 12.727 0.263 1.00 2.16 H new ATOM 990 N LEU A 63 10.893 12.971 2.293 1.00 1.50 N ATOM 991 CA LEU A 63 11.458 12.543 3.559 1.00 1.64 C ATOM 992 C LEU A 63 12.102 13.735 4.243 1.00 1.82 C ATOM 993 O LEU A 63 11.693 14.098 5.344 1.00 2.12 O ATOM 994 CB LEU A 63 12.443 11.364 3.400 1.00 1.47 C ATOM 995 CG LEU A 63 11.833 9.968 3.157 1.00 1.69 C ATOM 996 CD1 LEU A 63 10.352 9.941 2.756 1.00 1.94 C ATOM 997 CD2 LEU A 63 12.643 9.271 2.058 1.00 2.20 C ATOM 0 H LEU A 63 11.409 12.643 1.477 1.00 1.50 H new ATOM 0 HA LEU A 63 10.652 12.163 4.188 1.00 1.64 H new ATOM 0 HB2 LEU A 63 13.111 11.591 2.569 1.00 1.47 H new ATOM 0 HB3 LEU A 63 13.058 11.313 4.299 1.00 1.47 H new ATOM 0 HG LEU A 63 11.881 9.460 4.120 1.00 1.69 H new ATOM 0 HD11 LEU A 63 10.033 8.909 2.612 1.00 1.94 H new ATOM 0 HD12 LEU A 63 9.753 10.399 3.543 1.00 1.94 H new ATOM 0 HD13 LEU A 63 10.216 10.496 1.828 1.00 1.94 H new ATOM 0 HD21 LEU A 63 12.227 8.281 1.871 1.00 2.20 H new ATOM 0 HD22 LEU A 63 12.598 9.862 1.143 1.00 2.20 H new ATOM 0 HD23 LEU A 63 13.681 9.174 2.377 1.00 2.20 H new ATOM 1009 N ASP A 64 13.100 14.333 3.591 1.00 1.72 N ATOM 1010 CA ASP A 64 13.957 15.356 4.169 1.00 1.94 C ATOM 1011 C ASP A 64 13.165 16.411 4.945 1.00 2.15 C ATOM 1012 O ASP A 64 13.442 16.646 6.123 1.00 2.49 O ATOM 1013 CB ASP A 64 14.783 16.002 3.053 1.00 1.88 C ATOM 1014 CG ASP A 64 15.685 17.089 3.613 1.00 2.23 C ATOM 1015 OD1 ASP A 64 16.757 16.715 4.133 1.00 2.43 O ATOM 1016 OD2 ASP A 64 15.280 18.266 3.507 1.00 3.21 O ATOM 0 H ASP A 64 13.336 14.111 2.624 1.00 1.72 H new ATOM 0 HA ASP A 64 14.619 14.880 4.892 1.00 1.94 H new ATOM 0 HB2 ASP A 64 15.386 15.243 2.554 1.00 1.88 H new ATOM 0 HB3 ASP A 64 14.118 16.426 2.301 1.00 1.88 H new ATOM 1021 N VAL A 65 12.163 17.005 4.283 1.00 1.99 N ATOM 1022 CA VAL A 65 11.549 18.279 4.683 1.00 1.99 C ATOM 1023 C VAL A 65 11.285 18.369 6.178 1.00 2.06 C ATOM 1024 O VAL A 65 11.665 19.331 6.841 1.00 2.20 O ATOM 1025 CB VAL A 65 10.248 18.560 3.910 1.00 2.00 C ATOM 1026 CG1 VAL A 65 10.628 18.959 2.495 1.00 2.23 C ATOM 1027 CG2 VAL A 65 9.251 17.392 3.847 1.00 3.47 C ATOM 0 H VAL A 65 11.749 16.607 3.440 1.00 1.99 H new ATOM 0 HA VAL A 65 12.284 19.043 4.428 1.00 1.99 H new ATOM 0 HB VAL A 65 9.730 19.348 4.456 1.00 2.00 H new ATOM 0 HG11 VAL A 65 9.725 19.165 1.920 1.00 2.23 H new ATOM 0 HG12 VAL A 65 11.252 19.852 2.524 1.00 2.23 H new ATOM 0 HG13 VAL A 65 11.180 18.146 2.024 1.00 2.23 H new ATOM 0 HG21 VAL A 65 8.371 17.695 3.281 1.00 3.47 H new ATOM 0 HG22 VAL A 65 9.721 16.539 3.358 1.00 3.47 H new ATOM 0 HG23 VAL A 65 8.954 17.113 4.858 1.00 3.47 H new ATOM 1037 N ASN A 66 10.600 17.351 6.683 1.00 1.99 N ATOM 1038 CA ASN A 66 10.389 17.177 8.118 1.00 1.96 C ATOM 1039 C ASN A 66 10.676 15.731 8.498 1.00 1.54 C ATOM 1040 O ASN A 66 9.856 15.077 9.146 1.00 1.44 O ATOM 1041 CB ASN A 66 8.954 17.570 8.510 1.00 2.26 C ATOM 1042 CG ASN A 66 8.680 19.060 8.332 1.00 2.85 C ATOM 1043 OD1 ASN A 66 8.787 19.835 9.275 1.00 3.29 O ATOM 1044 ND2 ASN A 66 8.295 19.477 7.127 1.00 3.69 N ATOM 0 H ASN A 66 10.174 16.622 6.111 1.00 1.99 H new ATOM 0 HA ASN A 66 11.071 17.831 8.661 1.00 1.96 H new ATOM 0 HB2 ASN A 66 8.248 17.001 7.905 1.00 2.26 H new ATOM 0 HB3 ASN A 66 8.778 17.294 9.550 1.00 2.26 H new ATOM 0 HD21 ASN A 66 8.081 20.462 6.973 1.00 3.69 H new ATOM 0 HD22 ASN A 66 8.214 18.811 6.359 1.00 3.69 H new ATOM 1051 N GLN A 67 11.881 15.248 8.177 1.00 1.41 N ATOM 1052 CA GLN A 67 12.205 13.849 8.422 1.00 1.14 C ATOM 1053 C GLN A 67 12.149 13.462 9.895 1.00 1.07 C ATOM 1054 O GLN A 67 11.977 12.289 10.230 1.00 1.01 O ATOM 1055 CB GLN A 67 13.580 13.478 7.872 1.00 1.25 C ATOM 1056 CG GLN A 67 14.708 14.399 8.381 1.00 1.53 C ATOM 1057 CD GLN A 67 15.608 13.708 9.404 1.00 2.08 C ATOM 1058 OE1 GLN A 67 16.501 12.961 9.022 1.00 2.72 O ATOM 1059 NE2 GLN A 67 15.395 13.926 10.696 1.00 3.26 N ATOM 0 H GLN A 67 12.631 15.796 7.756 1.00 1.41 H new ATOM 0 HA GLN A 67 11.432 13.291 7.894 1.00 1.14 H new ATOM 0 HB2 GLN A 67 13.808 12.448 8.148 1.00 1.25 H new ATOM 0 HB3 GLN A 67 13.551 13.518 6.783 1.00 1.25 H new ATOM 0 HG2 GLN A 67 15.311 14.731 7.536 1.00 1.53 H new ATOM 0 HG3 GLN A 67 14.270 15.291 8.830 1.00 1.53 H new ATOM 0 HE21 GLN A 67 14.646 14.552 10.991 1.00 3.26 H new ATOM 0 HE22 GLN A 67 15.981 13.468 11.394 1.00 3.26 H new ATOM 1068 N ASP A 68 12.385 14.458 10.749 1.00 1.22 N ATOM 1069 CA ASP A 68 12.455 14.301 12.187 1.00 1.19 C ATOM 1070 C ASP A 68 11.093 13.919 12.771 1.00 1.21 C ATOM 1071 O ASP A 68 11.025 13.238 13.793 1.00 1.37 O ATOM 1072 CB ASP A 68 12.961 15.616 12.786 1.00 1.35 C ATOM 1073 CG ASP A 68 13.111 15.504 14.294 1.00 2.09 C ATOM 1074 OD1 ASP A 68 14.083 14.835 14.706 1.00 2.66 O ATOM 1075 OD2 ASP A 68 12.266 16.102 14.993 1.00 3.08 O ATOM 0 H ASP A 68 12.536 15.419 10.443 1.00 1.22 H new ATOM 0 HA ASP A 68 13.141 13.491 12.435 1.00 1.19 H new ATOM 0 HB2 ASP A 68 13.920 15.878 12.340 1.00 1.35 H new ATOM 0 HB3 ASP A 68 12.267 16.421 12.545 1.00 1.35 H new ATOM 1080 N SER A 69 9.996 14.325 12.113 1.00 1.24 N ATOM 1081 CA SER A 69 8.677 13.879 12.535 1.00 1.41 C ATOM 1082 C SER A 69 8.601 12.363 12.367 1.00 1.40 C ATOM 1083 O SER A 69 9.403 11.762 11.652 1.00 2.34 O ATOM 1084 CB SER A 69 7.579 14.591 11.729 1.00 1.68 C ATOM 1085 OG SER A 69 6.284 14.260 12.217 1.00 3.14 O ATOM 0 H SER A 69 10.003 14.948 11.305 1.00 1.24 H new ATOM 0 HA SER A 69 8.516 14.132 13.583 1.00 1.41 H new ATOM 0 HB2 SER A 69 7.726 15.670 11.784 1.00 1.68 H new ATOM 0 HB3 SER A 69 7.657 14.312 10.678 1.00 1.68 H new ATOM 0 HG SER A 69 5.605 14.728 11.687 1.00 3.14 H new ATOM 1091 N GLU A 70 7.620 11.727 13.004 1.00 1.30 N ATOM 1092 CA GLU A 70 7.407 10.316 12.767 1.00 1.17 C ATOM 1093 C GLU A 70 6.812 10.129 11.389 1.00 1.12 C ATOM 1094 O GLU A 70 6.276 11.055 10.773 1.00 1.26 O ATOM 1095 CB GLU A 70 6.513 9.620 13.799 1.00 1.45 C ATOM 1096 CG GLU A 70 6.392 10.377 15.110 1.00 1.90 C ATOM 1097 CD GLU A 70 5.260 11.394 15.050 1.00 2.21 C ATOM 1098 OE1 GLU A 70 5.427 12.425 14.357 1.00 2.98 O ATOM 1099 OE2 GLU A 70 4.192 11.053 15.602 1.00 3.03 O ATOM 0 H GLU A 70 6.979 12.159 13.670 1.00 1.30 H new ATOM 0 HA GLU A 70 8.387 9.846 12.854 1.00 1.17 H new ATOM 0 HB2 GLU A 70 5.518 9.486 13.374 1.00 1.45 H new ATOM 0 HB3 GLU A 70 6.911 8.625 13.999 1.00 1.45 H new ATOM 0 HG2 GLU A 70 6.212 9.675 15.924 1.00 1.90 H new ATOM 0 HG3 GLU A 70 7.331 10.885 15.329 1.00 1.90 H new ATOM 1106 N LEU A 71 6.798 8.874 10.993 1.00 1.20 N ATOM 1107 CA LEU A 71 6.050 8.401 9.850 1.00 1.30 C ATOM 1108 C LEU A 71 4.720 7.856 10.364 1.00 1.15 C ATOM 1109 O LEU A 71 4.612 7.478 11.531 1.00 1.15 O ATOM 1110 CB LEU A 71 6.895 7.367 9.104 1.00 1.65 C ATOM 1111 CG LEU A 71 6.242 6.861 7.811 1.00 1.39 C ATOM 1112 CD1 LEU A 71 6.073 7.983 6.779 1.00 1.55 C ATOM 1113 CD2 LEU A 71 7.169 5.807 7.221 1.00 2.50 C ATOM 0 H LEU A 71 7.319 8.138 11.469 1.00 1.20 H new ATOM 0 HA LEU A 71 5.828 9.192 9.133 1.00 1.30 H new ATOM 0 HB2 LEU A 71 7.864 7.805 8.865 1.00 1.65 H new ATOM 0 HB3 LEU A 71 7.083 6.519 9.763 1.00 1.65 H new ATOM 0 HG LEU A 71 5.253 6.466 8.044 1.00 1.39 H new ATOM 0 HD11 LEU A 71 5.607 7.582 5.879 1.00 1.55 H new ATOM 0 HD12 LEU A 71 5.442 8.768 7.195 1.00 1.55 H new ATOM 0 HD13 LEU A 71 7.050 8.397 6.529 1.00 1.55 H new ATOM 0 HD21 LEU A 71 6.739 5.421 6.297 1.00 2.50 H new ATOM 0 HD22 LEU A 71 8.141 6.254 7.010 1.00 2.50 H new ATOM 0 HD23 LEU A 71 7.292 4.991 7.933 1.00 2.50 H new ATOM 1125 N LYS A 72 3.695 7.863 9.511 1.00 1.07 N ATOM 1126 CA LYS A 72 2.367 7.375 9.825 1.00 0.95 C ATOM 1127 C LYS A 72 1.877 6.568 8.620 1.00 0.80 C ATOM 1128 O LYS A 72 2.323 6.827 7.500 1.00 0.69 O ATOM 1129 CB LYS A 72 1.418 8.545 10.146 1.00 1.04 C ATOM 1130 CG LYS A 72 1.861 9.415 11.338 1.00 1.20 C ATOM 1131 CD LYS A 72 2.735 10.630 10.960 1.00 2.00 C ATOM 1132 CE LYS A 72 3.200 11.353 12.238 1.00 2.43 C ATOM 1133 NZ LYS A 72 4.261 12.359 11.999 1.00 3.33 N ATOM 0 H LYS A 72 3.776 8.220 8.559 1.00 1.07 H new ATOM 0 HA LYS A 72 2.389 6.741 10.711 1.00 0.95 H new ATOM 0 HB2 LYS A 72 1.330 9.178 9.263 1.00 1.04 H new ATOM 0 HB3 LYS A 72 0.425 8.145 10.353 1.00 1.04 H new ATOM 0 HG2 LYS A 72 0.973 9.772 11.860 1.00 1.20 H new ATOM 0 HG3 LYS A 72 2.414 8.791 12.040 1.00 1.20 H new ATOM 0 HD2 LYS A 72 3.599 10.303 10.381 1.00 2.00 H new ATOM 0 HD3 LYS A 72 2.169 11.315 10.329 1.00 2.00 H new ATOM 0 HE2 LYS A 72 2.343 11.844 12.700 1.00 2.43 H new ATOM 0 HE3 LYS A 72 3.566 10.614 12.951 1.00 2.43 H new ATOM 0 HZ1 LYS A 72 4.667 12.658 12.909 1.00 3.33 H new ATOM 0 HZ2 LYS A 72 5.007 11.942 11.407 1.00 3.33 H new ATOM 0 HZ3 LYS A 72 3.854 13.184 11.514 1.00 3.33 H new ATOM 1147 N PHE A 73 0.992 5.590 8.847 1.00 0.85 N ATOM 1148 CA PHE A 73 0.550 4.624 7.840 1.00 0.79 C ATOM 1149 C PHE A 73 0.155 5.273 6.510 1.00 0.61 C ATOM 1150 O PHE A 73 0.486 4.764 5.444 1.00 0.51 O ATOM 1151 CB PHE A 73 -0.551 3.707 8.401 1.00 1.02 C ATOM 1152 CG PHE A 73 -1.877 4.393 8.662 1.00 0.88 C ATOM 1153 CD1 PHE A 73 -2.129 4.984 9.914 1.00 1.77 C ATOM 1154 CD2 PHE A 73 -2.765 4.613 7.595 1.00 2.50 C ATOM 1155 CE1 PHE A 73 -3.214 5.863 10.073 1.00 2.15 C ATOM 1156 CE2 PHE A 73 -3.800 5.548 7.734 1.00 3.31 C ATOM 1157 CZ PHE A 73 -4.038 6.162 8.977 1.00 2.65 C ATOM 0 H PHE A 73 0.555 5.447 9.757 1.00 0.85 H new ATOM 0 HA PHE A 73 1.411 3.999 7.604 1.00 0.79 H new ATOM 0 HB2 PHE A 73 -0.713 2.887 7.701 1.00 1.02 H new ATOM 0 HB3 PHE A 73 -0.197 3.265 9.332 1.00 1.02 H new ATOM 0 HD1 PHE A 73 -1.488 4.762 10.754 1.00 1.77 H new ATOM 0 HD2 PHE A 73 -2.650 4.064 6.672 1.00 2.50 H new ATOM 0 HE1 PHE A 73 -3.413 6.308 11.037 1.00 2.15 H new ATOM 0 HE2 PHE A 73 -4.417 5.798 6.884 1.00 3.31 H new ATOM 0 HZ PHE A 73 -4.853 6.862 9.088 1.00 2.65 H new ATOM 1167 N ASN A 74 -0.565 6.391 6.578 1.00 0.69 N ATOM 1168 CA ASN A 74 -1.013 7.152 5.417 1.00 0.72 C ATOM 1169 C ASN A 74 0.173 7.588 4.547 1.00 0.59 C ATOM 1170 O ASN A 74 0.253 7.200 3.382 1.00 0.66 O ATOM 1171 CB ASN A 74 -1.887 8.338 5.858 1.00 1.00 C ATOM 1172 CG ASN A 74 -1.325 9.046 7.087 1.00 2.51 C ATOM 1173 OD1 ASN A 74 -0.412 9.854 6.990 1.00 3.11 O ATOM 1174 ND2 ASN A 74 -1.818 8.698 8.274 1.00 4.14 N ATOM 0 H ASN A 74 -0.859 6.801 7.464 1.00 0.69 H new ATOM 0 HA ASN A 74 -1.632 6.507 4.794 1.00 0.72 H new ATOM 0 HB2 ASN A 74 -1.970 9.050 5.037 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -2.895 7.983 6.075 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -1.434 9.107 9.126 1.00 4.14 H new ATOM 0 HD22 ASN A 74 -2.580 8.022 8.332 1.00 4.14 H new ATOM 1181 N GLU A 75 1.101 8.373 5.102 1.00 0.55 N ATOM 1182 CA GLU A 75 2.303 8.791 4.394 1.00 0.52 C ATOM 1183 C GLU A 75 3.108 7.581 3.921 1.00 0.45 C ATOM 1184 O GLU A 75 3.470 7.494 2.746 1.00 0.48 O ATOM 1185 CB GLU A 75 3.167 9.682 5.299 1.00 0.71 C ATOM 1186 CG GLU A 75 2.583 11.086 5.499 1.00 1.27 C ATOM 1187 CD GLU A 75 2.594 11.922 4.226 1.00 2.41 C ATOM 1188 OE1 GLU A 75 3.111 11.460 3.188 1.00 3.78 O ATOM 1189 OE2 GLU A 75 2.047 13.043 4.241 1.00 3.05 O ATOM 0 H GLU A 75 1.035 8.733 6.054 1.00 0.55 H new ATOM 0 HA GLU A 75 2.001 9.362 3.516 1.00 0.52 H new ATOM 0 HB2 GLU A 75 3.280 9.201 6.270 1.00 0.71 H new ATOM 0 HB3 GLU A 75 4.164 9.768 4.868 1.00 0.71 H new ATOM 0 HG2 GLU A 75 1.559 10.999 5.861 1.00 1.27 H new ATOM 0 HG3 GLU A 75 3.152 11.603 6.272 1.00 1.27 H new ATOM 1196 N TYR A 76 3.378 6.646 4.842 1.00 0.44 N ATOM 1197 CA TYR A 76 4.054 5.389 4.538 1.00 0.45 C ATOM 1198 C TYR A 76 3.527 4.834 3.223 1.00 0.41 C ATOM 1199 O TYR A 76 4.305 4.563 2.311 1.00 0.41 O ATOM 1200 CB TYR A 76 3.828 4.387 5.675 1.00 0.53 C ATOM 1201 CG TYR A 76 3.964 2.924 5.284 1.00 0.78 C ATOM 1202 CD1 TYR A 76 2.850 2.196 4.824 1.00 2.15 C ATOM 1203 CD2 TYR A 76 5.196 2.275 5.434 1.00 1.60 C ATOM 1204 CE1 TYR A 76 3.013 0.879 4.368 1.00 2.48 C ATOM 1205 CE2 TYR A 76 5.351 0.942 5.013 1.00 1.69 C ATOM 1206 CZ TYR A 76 4.260 0.247 4.467 1.00 1.56 C ATOM 1207 OH TYR A 76 4.397 -1.042 4.044 1.00 2.00 O ATOM 0 H TYR A 76 3.129 6.747 5.826 1.00 0.44 H new ATOM 0 HA TYR A 76 5.125 5.565 4.442 1.00 0.45 H new ATOM 0 HB2 TYR A 76 4.539 4.601 6.473 1.00 0.53 H new ATOM 0 HB3 TYR A 76 2.831 4.546 6.085 1.00 0.53 H new ATOM 0 HD1 TYR A 76 1.871 2.651 4.822 1.00 2.15 H new ATOM 0 HD2 TYR A 76 6.030 2.800 5.875 1.00 1.60 H new ATOM 0 HE1 TYR A 76 2.174 0.350 3.939 1.00 2.48 H new ATOM 0 HE2 TYR A 76 6.309 0.453 5.110 1.00 1.69 H new ATOM 0 HH TYR A 76 5.323 -1.334 4.179 1.00 2.00 H new ATOM 1217 N TRP A 77 2.204 4.682 3.141 1.00 0.41 N ATOM 1218 CA TRP A 77 1.552 4.131 1.976 1.00 0.41 C ATOM 1219 C TRP A 77 2.077 4.739 0.673 1.00 0.40 C ATOM 1220 O TRP A 77 2.803 4.076 -0.066 1.00 0.41 O ATOM 1221 CB TRP A 77 0.033 4.250 2.122 1.00 0.43 C ATOM 1222 CG TRP A 77 -0.624 2.985 1.750 1.00 0.44 C ATOM 1223 CD1 TRP A 77 -0.883 2.638 0.484 1.00 0.48 C ATOM 1224 CD2 TRP A 77 -1.156 1.924 2.590 1.00 0.43 C ATOM 1225 NE1 TRP A 77 -1.434 1.387 0.464 1.00 0.51 N ATOM 1226 CE2 TRP A 77 -1.692 0.922 1.735 1.00 0.48 C ATOM 1227 CE3 TRP A 77 -1.353 1.756 3.975 1.00 0.41 C ATOM 1228 CZ2 TRP A 77 -2.366 -0.202 2.226 1.00 0.50 C ATOM 1229 CZ3 TRP A 77 -2.060 0.641 4.455 1.00 0.42 C ATOM 1230 CH2 TRP A 77 -2.496 -0.370 3.606 1.00 0.47 C ATOM 0 H TRP A 77 1.562 4.942 3.890 1.00 0.41 H new ATOM 0 HA TRP A 77 1.797 3.071 1.913 1.00 0.41 H new ATOM 0 HB2 TRP A 77 -0.220 4.509 3.150 1.00 0.43 H new ATOM 0 HB3 TRP A 77 -0.336 5.058 1.490 1.00 0.43 H new ATOM 0 HD1 TRP A 77 -0.688 3.249 -0.385 1.00 0.48 H new ATOM 0 HE1 TRP A 77 -1.630 0.862 -0.388 1.00 0.51 H new ATOM 0 HE3 TRP A 77 -0.960 2.485 4.668 1.00 0.41 H new ATOM 0 HZ2 TRP A 77 -2.781 -0.931 1.545 1.00 0.50 H new ATOM 0 HZ3 TRP A 77 -2.270 0.567 5.512 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -2.930 -1.273 4.009 1.00 0.47 H new ATOM 1241 N ARG A 78 1.727 5.990 0.369 1.00 0.42 N ATOM 1242 CA ARG A 78 2.221 6.641 -0.833 1.00 0.49 C ATOM 1243 C ARG A 78 3.754 6.536 -0.980 1.00 0.45 C ATOM 1244 O ARG A 78 4.218 6.318 -2.094 1.00 0.52 O ATOM 1245 CB ARG A 78 1.699 8.077 -0.932 1.00 0.71 C ATOM 1246 CG ARG A 78 2.129 9.034 0.186 1.00 1.22 C ATOM 1247 CD ARG A 78 1.455 10.379 -0.098 1.00 1.52 C ATOM 1248 NE ARG A 78 1.845 11.429 0.859 1.00 2.14 N ATOM 1249 CZ ARG A 78 1.587 12.739 0.707 1.00 2.80 C ATOM 1250 NH1 ARG A 78 0.986 13.171 -0.409 1.00 3.42 N ATOM 1251 NH2 ARG A 78 1.912 13.617 1.656 1.00 3.64 N ATOM 0 H ARG A 78 1.107 6.565 0.939 1.00 0.42 H new ATOM 0 HA ARG A 78 1.820 6.099 -1.690 1.00 0.49 H new ATOM 0 HB2 ARG A 78 2.025 8.495 -1.884 1.00 0.71 H new ATOM 0 HB3 ARG A 78 0.610 8.044 -0.955 1.00 0.71 H new ATOM 0 HG2 ARG A 78 1.829 8.649 1.161 1.00 1.22 H new ATOM 0 HG3 ARG A 78 3.213 9.142 0.206 1.00 1.22 H new ATOM 0 HD2 ARG A 78 1.710 10.702 -1.107 1.00 1.52 H new ATOM 0 HD3 ARG A 78 0.373 10.251 -0.068 1.00 1.52 H new ATOM 0 HE ARG A 78 2.348 11.141 1.698 1.00 2.14 H new ATOM 0 HH11 ARG A 78 0.726 12.507 -1.138 1.00 3.42 H new ATOM 0 HH12 ARG A 78 0.788 14.164 -0.530 1.00 3.42 H new ATOM 0 HH21 ARG A 78 2.363 13.298 2.513 1.00 3.64 H new ATOM 0 HH22 ARG A 78 1.709 14.608 1.525 1.00 3.64 H new ATOM 1265 N LEU A 79 4.545 6.621 0.102 1.00 0.43 N ATOM 1266 CA LEU A 79 6.000 6.435 -0.001 1.00 0.45 C ATOM 1267 C LEU A 79 6.375 5.041 -0.535 1.00 0.44 C ATOM 1268 O LEU A 79 7.273 4.927 -1.371 1.00 0.52 O ATOM 1269 CB LEU A 79 6.722 6.700 1.332 1.00 0.50 C ATOM 1270 CG LEU A 79 7.028 8.179 1.665 1.00 0.58 C ATOM 1271 CD1 LEU A 79 5.975 9.203 1.224 1.00 0.68 C ATOM 1272 CD2 LEU A 79 7.231 8.304 3.179 1.00 0.83 C ATOM 0 H LEU A 79 4.207 6.814 1.045 1.00 0.43 H new ATOM 0 HA LEU A 79 6.339 7.178 -0.723 1.00 0.45 H new ATOM 0 HB2 LEU A 79 6.115 6.287 2.138 1.00 0.50 H new ATOM 0 HB3 LEU A 79 7.663 6.149 1.327 1.00 0.50 H new ATOM 0 HG LEU A 79 7.920 8.425 1.089 1.00 0.58 H new ATOM 0 HD11 LEU A 79 6.298 10.204 1.511 1.00 0.68 H new ATOM 0 HD12 LEU A 79 5.854 9.157 0.142 1.00 0.68 H new ATOM 0 HD13 LEU A 79 5.024 8.977 1.705 1.00 0.68 H new ATOM 0 HD21 LEU A 79 7.448 9.342 3.433 1.00 0.83 H new ATOM 0 HD22 LEU A 79 6.325 7.986 3.695 1.00 0.83 H new ATOM 0 HD23 LEU A 79 8.065 7.673 3.488 1.00 0.83 H new ATOM 1284 N ILE A 80 5.741 3.957 -0.073 1.00 0.42 N ATOM 1285 CA ILE A 80 6.034 2.651 -0.670 1.00 0.43 C ATOM 1286 C ILE A 80 5.420 2.562 -2.080 1.00 0.43 C ATOM 1287 O ILE A 80 5.925 1.841 -2.938 1.00 0.45 O ATOM 1288 CB ILE A 80 5.714 1.451 0.250 1.00 0.45 C ATOM 1289 CG1 ILE A 80 4.289 0.970 0.005 1.00 0.64 C ATOM 1290 CG2 ILE A 80 5.924 1.775 1.723 1.00 0.43 C ATOM 1291 CD1 ILE A 80 3.714 -0.115 0.916 1.00 0.44 C ATOM 0 H ILE A 80 5.052 3.954 0.679 1.00 0.42 H new ATOM 0 HA ILE A 80 7.115 2.575 -0.787 1.00 0.43 H new ATOM 0 HB ILE A 80 6.413 0.653 -0.000 1.00 0.45 H new ATOM 0 HG12 ILE A 80 3.632 1.837 0.068 1.00 0.64 H new ATOM 0 HG13 ILE A 80 4.235 0.604 -1.020 1.00 0.64 H new ATOM 0 HG21 ILE A 80 5.685 0.899 2.326 1.00 0.43 H new ATOM 0 HG22 ILE A 80 6.964 2.057 1.889 1.00 0.43 H new ATOM 0 HG23 ILE A 80 5.273 2.601 2.010 1.00 0.43 H new ATOM 0 HD11 ILE A 80 2.693 -0.344 0.610 1.00 0.44 H new ATOM 0 HD12 ILE A 80 4.326 -1.014 0.842 1.00 0.44 H new ATOM 0 HD13 ILE A 80 3.713 0.239 1.947 1.00 0.44 H new ATOM 1303 N GLY A 81 4.345 3.311 -2.343 1.00 0.44 N ATOM 1304 CA GLY A 81 3.828 3.504 -3.694 1.00 0.47 C ATOM 1305 C GLY A 81 4.936 4.008 -4.619 1.00 0.48 C ATOM 1306 O GLY A 81 5.235 3.411 -5.656 1.00 0.60 O ATOM 0 H GLY A 81 3.812 3.799 -1.623 1.00 0.44 H new ATOM 0 HA2 GLY A 81 3.426 2.565 -4.075 1.00 0.47 H new ATOM 0 HA3 GLY A 81 3.006 4.219 -3.677 1.00 0.47 H new ATOM 1310 N GLU A 82 5.580 5.095 -4.197 1.00 0.45 N ATOM 1311 CA GLU A 82 6.793 5.609 -4.799 1.00 0.54 C ATOM 1312 C GLU A 82 7.819 4.481 -4.951 1.00 0.51 C ATOM 1313 O GLU A 82 8.285 4.265 -6.065 1.00 0.59 O ATOM 1314 CB GLU A 82 7.307 6.790 -3.971 1.00 0.63 C ATOM 1315 CG GLU A 82 6.641 8.116 -4.352 1.00 0.90 C ATOM 1316 CD GLU A 82 7.202 9.250 -3.503 1.00 1.97 C ATOM 1317 OE1 GLU A 82 7.071 9.144 -2.264 1.00 2.85 O ATOM 1318 OE2 GLU A 82 7.794 10.173 -4.098 1.00 2.86 O ATOM 0 H GLU A 82 5.258 5.652 -3.405 1.00 0.45 H new ATOM 0 HA GLU A 82 6.596 5.984 -5.804 1.00 0.54 H new ATOM 0 HB2 GLU A 82 7.131 6.591 -2.914 1.00 0.63 H new ATOM 0 HB3 GLU A 82 8.385 6.879 -4.103 1.00 0.63 H new ATOM 0 HG2 GLU A 82 6.809 8.325 -5.408 1.00 0.90 H new ATOM 0 HG3 GLU A 82 5.563 8.044 -4.209 1.00 0.90 H new ATOM 1325 N LEU A 83 8.124 3.713 -3.891 1.00 0.45 N ATOM 1326 CA LEU A 83 9.024 2.561 -4.040 1.00 0.46 C ATOM 1327 C LEU A 83 8.620 1.661 -5.214 1.00 0.53 C ATOM 1328 O LEU A 83 9.469 1.338 -6.040 1.00 0.60 O ATOM 1329 CB LEU A 83 9.185 1.710 -2.772 1.00 0.56 C ATOM 1330 CG LEU A 83 9.872 2.414 -1.596 1.00 1.55 C ATOM 1331 CD1 LEU A 83 9.878 1.448 -0.410 1.00 2.85 C ATOM 1332 CD2 LEU A 83 11.324 2.803 -1.909 1.00 2.27 C ATOM 0 H LEU A 83 7.771 3.864 -2.946 1.00 0.45 H new ATOM 0 HA LEU A 83 9.996 3.011 -4.244 1.00 0.46 H new ATOM 0 HB2 LEU A 83 8.198 1.377 -2.449 1.00 0.56 H new ATOM 0 HB3 LEU A 83 9.756 0.816 -3.024 1.00 0.56 H new ATOM 0 HG LEU A 83 9.323 3.331 -1.382 1.00 1.55 H new ATOM 0 HD11 LEU A 83 10.362 1.923 0.444 1.00 2.85 H new ATOM 0 HD12 LEU A 83 8.853 1.188 -0.147 1.00 2.85 H new ATOM 0 HD13 LEU A 83 10.424 0.544 -0.680 1.00 2.85 H new ATOM 0 HD21 LEU A 83 11.763 3.298 -1.043 1.00 2.27 H new ATOM 0 HD22 LEU A 83 11.898 1.907 -2.144 1.00 2.27 H new ATOM 0 HD23 LEU A 83 11.343 3.481 -2.762 1.00 2.27 H new ATOM 1344 N ALA A 84 7.351 1.254 -5.322 1.00 0.57 N ATOM 1345 CA ALA A 84 6.903 0.493 -6.488 1.00 0.75 C ATOM 1346 C ALA A 84 7.212 1.219 -7.810 1.00 0.87 C ATOM 1347 O ALA A 84 7.620 0.590 -8.785 1.00 1.12 O ATOM 1348 CB ALA A 84 5.415 0.153 -6.361 1.00 0.76 C ATOM 0 H ALA A 84 6.627 1.436 -4.627 1.00 0.57 H new ATOM 0 HA ALA A 84 7.466 -0.440 -6.514 1.00 0.75 H new ATOM 0 HB1 ALA A 84 5.095 -0.413 -7.236 1.00 0.76 H new ATOM 0 HB2 ALA A 84 5.253 -0.444 -5.463 1.00 0.76 H new ATOM 0 HB3 ALA A 84 4.836 1.074 -6.293 1.00 0.76 H new ATOM 1354 N LYS A 85 7.008 2.540 -7.864 1.00 0.82 N ATOM 1355 CA LYS A 85 7.295 3.364 -9.040 1.00 1.05 C ATOM 1356 C LYS A 85 8.800 3.396 -9.371 1.00 1.05 C ATOM 1357 O LYS A 85 9.173 3.354 -10.548 1.00 1.33 O ATOM 1358 CB LYS A 85 6.657 4.749 -8.837 1.00 1.21 C ATOM 1359 CG LYS A 85 6.514 5.593 -10.115 1.00 1.34 C ATOM 1360 CD LYS A 85 7.761 6.454 -10.397 1.00 1.85 C ATOM 1361 CE LYS A 85 7.423 7.959 -10.484 1.00 2.26 C ATOM 1362 NZ LYS A 85 8.607 8.801 -10.216 1.00 3.04 N ATOM 0 H LYS A 85 6.633 3.073 -7.079 1.00 0.82 H new ATOM 0 HA LYS A 85 6.844 2.922 -9.928 1.00 1.05 H new ATOM 0 HB2 LYS A 85 5.669 4.616 -8.395 1.00 1.21 H new ATOM 0 HB3 LYS A 85 7.256 5.306 -8.117 1.00 1.21 H new ATOM 0 HG2 LYS A 85 6.333 4.933 -10.964 1.00 1.34 H new ATOM 0 HG3 LYS A 85 5.642 6.241 -10.023 1.00 1.34 H new ATOM 0 HD2 LYS A 85 8.497 6.294 -9.609 1.00 1.85 H new ATOM 0 HD3 LYS A 85 8.219 6.132 -11.332 1.00 1.85 H new ATOM 0 HE2 LYS A 85 7.031 8.187 -11.475 1.00 2.26 H new ATOM 0 HE3 LYS A 85 6.637 8.198 -9.767 1.00 2.26 H new ATOM 0 HZ1 LYS A 85 8.373 9.798 -10.399 1.00 3.04 H new ATOM 0 HZ2 LYS A 85 8.895 8.689 -9.223 1.00 3.04 H new ATOM 0 HZ3 LYS A 85 9.388 8.510 -10.838 1.00 3.04 H new ATOM 1376 N GLU A 86 9.648 3.457 -8.338 1.00 0.76 N ATOM 1377 CA GLU A 86 11.093 3.257 -8.398 1.00 0.66 C ATOM 1378 C GLU A 86 11.399 1.843 -8.903 1.00 0.67 C ATOM 1379 O GLU A 86 11.746 1.651 -10.067 1.00 0.77 O ATOM 1380 CB GLU A 86 11.694 3.468 -6.990 1.00 0.62 C ATOM 1381 CG GLU A 86 12.133 4.904 -6.686 1.00 1.00 C ATOM 1382 CD GLU A 86 11.787 5.274 -5.249 1.00 1.22 C ATOM 1383 OE1 GLU A 86 10.614 5.623 -4.999 1.00 1.70 O ATOM 1384 OE2 GLU A 86 12.675 5.263 -4.370 1.00 2.32 O ATOM 0 H GLU A 86 9.325 3.658 -7.392 1.00 0.76 H new ATOM 0 HA GLU A 86 11.537 3.976 -9.087 1.00 0.66 H new ATOM 0 HB2 GLU A 86 10.957 3.163 -6.247 1.00 0.62 H new ATOM 0 HB3 GLU A 86 12.554 2.808 -6.875 1.00 0.62 H new ATOM 0 HG2 GLU A 86 13.207 5.004 -6.845 1.00 1.00 H new ATOM 0 HG3 GLU A 86 11.643 5.594 -7.373 1.00 1.00 H new ATOM 1391 N ILE A 87 11.338 0.856 -8.010 1.00 0.66 N ATOM 1392 CA ILE A 87 11.913 -0.457 -8.198 1.00 0.77 C ATOM 1393 C ILE A 87 10.972 -1.330 -9.028 1.00 0.76 C ATOM 1394 O ILE A 87 10.065 -2.002 -8.533 1.00 0.77 O ATOM 1395 CB ILE A 87 12.335 -1.031 -6.832 1.00 0.96 C ATOM 1396 CG1 ILE A 87 13.500 -2.026 -6.959 1.00 1.43 C ATOM 1397 CG2 ILE A 87 11.190 -1.582 -5.973 1.00 1.07 C ATOM 1398 CD1 ILE A 87 13.259 -3.171 -7.950 1.00 1.17 C ATOM 0 H ILE A 87 10.870 0.961 -7.110 1.00 0.66 H new ATOM 0 HA ILE A 87 12.830 -0.413 -8.786 1.00 0.77 H new ATOM 0 HB ILE A 87 12.693 -0.166 -6.274 1.00 0.96 H new ATOM 0 HG12 ILE A 87 14.394 -1.481 -7.264 1.00 1.43 H new ATOM 0 HG13 ILE A 87 13.706 -2.451 -5.977 1.00 1.43 H new ATOM 0 HG21 ILE A 87 11.591 -1.962 -5.033 1.00 1.07 H new ATOM 0 HG22 ILE A 87 10.474 -0.786 -5.767 1.00 1.07 H new ATOM 0 HG23 ILE A 87 10.690 -2.390 -6.508 1.00 1.07 H new ATOM 0 HD11 ILE A 87 14.133 -3.822 -7.973 1.00 1.17 H new ATOM 0 HD12 ILE A 87 12.387 -3.745 -7.637 1.00 1.17 H new ATOM 0 HD13 ILE A 87 13.085 -2.761 -8.945 1.00 1.17 H new ATOM 1410 N ARG A 88 11.234 -1.364 -10.333 1.00 0.88 N ATOM 1411 CA ARG A 88 10.419 -2.112 -11.269 1.00 1.02 C ATOM 1412 C ARG A 88 10.855 -3.573 -11.189 1.00 1.13 C ATOM 1413 O ARG A 88 11.694 -4.033 -11.962 1.00 1.42 O ATOM 1414 CB ARG A 88 10.546 -1.508 -12.674 1.00 1.23 C ATOM 1415 CG ARG A 88 10.084 -0.045 -12.622 1.00 1.97 C ATOM 1416 CD ARG A 88 10.066 0.632 -13.990 1.00 1.99 C ATOM 1417 NE ARG A 88 9.796 2.068 -13.814 1.00 3.14 N ATOM 1418 CZ ARG A 88 9.733 2.967 -14.809 1.00 3.67 C ATOM 1419 NH1 ARG A 88 9.874 2.564 -16.078 1.00 3.11 N ATOM 1420 NH2 ARG A 88 9.537 4.257 -14.524 1.00 5.16 N ATOM 0 H ARG A 88 12.017 -0.873 -10.764 1.00 0.88 H new ATOM 0 HA ARG A 88 9.359 -2.058 -11.022 1.00 1.02 H new ATOM 0 HB2 ARG A 88 11.578 -1.567 -13.019 1.00 1.23 H new ATOM 0 HB3 ARG A 88 9.940 -2.071 -13.384 1.00 1.23 H new ATOM 0 HG2 ARG A 88 9.084 -0.002 -12.190 1.00 1.97 H new ATOM 0 HG3 ARG A 88 10.743 0.513 -11.957 1.00 1.97 H new ATOM 0 HD2 ARG A 88 11.022 0.488 -14.493 1.00 1.99 H new ATOM 0 HD3 ARG A 88 9.302 0.181 -14.623 1.00 1.99 H new ATOM 0 HE ARG A 88 9.645 2.406 -12.864 1.00 3.14 H new ATOM 0 HH11 ARG A 88 10.029 1.577 -16.286 1.00 3.11 H new ATOM 0 HH12 ARG A 88 9.827 3.244 -16.837 1.00 3.11 H new ATOM 0 HH21 ARG A 88 9.436 4.555 -13.554 1.00 5.16 H new ATOM 0 HH22 ARG A 88 9.488 4.944 -15.276 1.00 5.16 H new ATOM 1434 N LYS A 89 10.273 -4.263 -10.204 1.00 1.08 N ATOM 1435 CA LYS A 89 10.432 -5.681 -9.907 1.00 1.23 C ATOM 1436 C LYS A 89 10.499 -6.485 -11.205 1.00 1.65 C ATOM 1437 O LYS A 89 9.550 -6.497 -11.985 1.00 1.95 O ATOM 1438 CB LYS A 89 9.254 -6.110 -9.019 1.00 1.29 C ATOM 1439 CG LYS A 89 9.443 -5.565 -7.594 1.00 1.38 C ATOM 1440 CD LYS A 89 8.132 -5.191 -6.893 1.00 1.48 C ATOM 1441 CE LYS A 89 8.353 -4.510 -5.527 1.00 1.97 C ATOM 1442 NZ LYS A 89 9.244 -5.261 -4.615 1.00 3.07 N ATOM 0 H LYS A 89 9.635 -3.810 -9.550 1.00 1.08 H new ATOM 0 HA LYS A 89 11.364 -5.869 -9.375 1.00 1.23 H new ATOM 0 HB2 LYS A 89 8.318 -5.739 -9.438 1.00 1.29 H new ATOM 0 HB3 LYS A 89 9.183 -7.197 -8.995 1.00 1.29 H new ATOM 0 HG2 LYS A 89 9.963 -6.313 -6.996 1.00 1.38 H new ATOM 0 HG3 LYS A 89 10.086 -4.686 -7.634 1.00 1.38 H new ATOM 0 HD2 LYS A 89 7.559 -4.524 -7.537 1.00 1.48 H new ATOM 0 HD3 LYS A 89 7.532 -6.090 -6.752 1.00 1.48 H new ATOM 0 HE2 LYS A 89 8.772 -3.517 -5.691 1.00 1.97 H new ATOM 0 HE3 LYS A 89 7.387 -4.372 -5.041 1.00 1.97 H new ATOM 0 HZ1 LYS A 89 9.303 -4.767 -3.702 1.00 3.07 H new ATOM 0 HZ2 LYS A 89 8.863 -6.217 -4.467 1.00 3.07 H new ATOM 0 HZ3 LYS A 89 10.193 -5.328 -5.034 1.00 3.07 H new ATOM 1456 N LYS A 90 11.656 -7.114 -11.441 1.00 2.33 N ATOM 1457 CA LYS A 90 12.036 -7.645 -12.743 1.00 3.04 C ATOM 1458 C LYS A 90 10.995 -8.602 -13.325 1.00 2.65 C ATOM 1459 O LYS A 90 10.804 -8.613 -14.540 1.00 3.42 O ATOM 1460 CB LYS A 90 13.428 -8.299 -12.668 1.00 4.00 C ATOM 1461 CG LYS A 90 14.527 -7.453 -13.334 1.00 5.16 C ATOM 1462 CD LYS A 90 14.340 -7.208 -14.845 1.00 5.05 C ATOM 1463 CE LYS A 90 14.170 -8.506 -15.650 1.00 5.43 C ATOM 1464 NZ LYS A 90 13.969 -8.246 -17.090 1.00 5.97 N ATOM 0 H LYS A 90 12.360 -7.268 -10.719 1.00 2.33 H new ATOM 0 HA LYS A 90 12.082 -6.803 -13.433 1.00 3.04 H new ATOM 0 HB2 LYS A 90 13.689 -8.466 -11.623 1.00 4.00 H new ATOM 0 HB3 LYS A 90 13.390 -9.277 -13.147 1.00 4.00 H new ATOM 0 HG2 LYS A 90 14.577 -6.488 -12.829 1.00 5.16 H new ATOM 0 HG3 LYS A 90 15.487 -7.945 -13.178 1.00 5.16 H new ATOM 0 HD2 LYS A 90 13.466 -6.575 -14.999 1.00 5.05 H new ATOM 0 HD3 LYS A 90 15.201 -6.661 -15.228 1.00 5.05 H new ATOM 0 HE2 LYS A 90 15.051 -9.133 -15.515 1.00 5.43 H new ATOM 0 HE3 LYS A 90 13.319 -9.064 -15.261 1.00 5.43 H new ATOM 0 HZ1 LYS A 90 13.859 -9.149 -17.594 1.00 5.97 H new ATOM 0 HZ2 LYS A 90 13.114 -7.669 -17.223 1.00 5.97 H new ATOM 0 HZ3 LYS A 90 14.793 -7.736 -17.469 1.00 5.97 H new ATOM 1478 N LYS A 91 10.354 -9.404 -12.470 1.00 2.12 N ATOM 1479 CA LYS A 91 9.210 -10.215 -12.859 1.00 2.15 C ATOM 1480 C LYS A 91 8.443 -10.667 -11.605 1.00 2.04 C ATOM 1481 O LYS A 91 7.291 -10.281 -11.426 1.00 2.66 O ATOM 1482 CB LYS A 91 9.712 -11.405 -13.709 1.00 2.78 C ATOM 1483 CG LYS A 91 8.645 -12.468 -13.987 1.00 3.17 C ATOM 1484 CD LYS A 91 7.665 -12.164 -15.124 1.00 3.52 C ATOM 1485 CE LYS A 91 6.272 -12.753 -14.818 1.00 4.51 C ATOM 1486 NZ LYS A 91 6.312 -14.120 -14.247 1.00 5.28 N ATOM 0 H LYS A 91 10.618 -9.505 -11.490 1.00 2.12 H new ATOM 0 HA LYS A 91 8.513 -9.638 -13.466 1.00 2.15 H new ATOM 0 HB2 LYS A 91 10.088 -11.026 -14.659 1.00 2.78 H new ATOM 0 HB3 LYS A 91 10.553 -11.874 -13.198 1.00 2.78 H new ATOM 0 HG2 LYS A 91 9.149 -13.408 -14.212 1.00 3.17 H new ATOM 0 HG3 LYS A 91 8.071 -12.624 -13.073 1.00 3.17 H new ATOM 0 HD2 LYS A 91 7.586 -11.086 -15.264 1.00 3.52 H new ATOM 0 HD3 LYS A 91 8.044 -12.580 -16.058 1.00 3.52 H new ATOM 0 HE2 LYS A 91 5.754 -12.094 -14.121 1.00 4.51 H new ATOM 0 HE3 LYS A 91 5.685 -12.770 -15.737 1.00 4.51 H new ATOM 0 HZ1 LYS A 91 5.531 -14.236 -13.570 1.00 5.28 H new ATOM 0 HZ2 LYS A 91 6.215 -14.818 -15.011 1.00 5.28 H new ATOM 0 HZ3 LYS A 91 7.218 -14.266 -13.758 1.00 5.28 H new ATOM 1500 N ASP A 92 9.085 -11.471 -10.748 1.00 1.93 N ATOM 1501 CA ASP A 92 8.444 -12.221 -9.660 1.00 2.48 C ATOM 1502 C ASP A 92 9.390 -12.167 -8.458 1.00 2.04 C ATOM 1503 O ASP A 92 10.088 -13.139 -8.183 1.00 2.58 O ATOM 1504 CB ASP A 92 8.216 -13.705 -10.048 1.00 3.37 C ATOM 1505 CG ASP A 92 7.322 -13.978 -11.249 1.00 4.33 C ATOM 1506 OD1 ASP A 92 6.263 -13.343 -11.417 1.00 5.65 O ATOM 1507 OD2 ASP A 92 7.736 -14.768 -12.126 1.00 4.46 O ATOM 0 H ASP A 92 10.093 -11.622 -10.793 1.00 1.93 H new ATOM 0 HA ASP A 92 7.472 -11.781 -9.440 1.00 2.48 H new ATOM 0 HB2 ASP A 92 9.189 -14.158 -10.241 1.00 3.37 H new ATOM 0 HB3 ASP A 92 7.791 -14.219 -9.186 1.00 3.37 H new ATOM 1512 N LEU A 93 9.494 -11.014 -7.789 1.00 1.58 N ATOM 1513 CA LEU A 93 10.687 -10.705 -7.002 1.00 1.17 C ATOM 1514 C LEU A 93 11.141 -11.769 -5.994 1.00 1.08 C ATOM 1515 O LEU A 93 12.347 -11.934 -5.853 1.00 1.17 O ATOM 1516 CB LEU A 93 10.719 -9.277 -6.448 1.00 1.91 C ATOM 1517 CG LEU A 93 9.649 -8.824 -5.446 1.00 1.89 C ATOM 1518 CD1 LEU A 93 8.266 -8.743 -6.096 1.00 2.20 C ATOM 1519 CD2 LEU A 93 9.623 -9.618 -4.136 1.00 3.23 C ATOM 0 H LEU A 93 8.776 -10.290 -7.777 1.00 1.58 H new ATOM 0 HA LEU A 93 11.472 -10.748 -7.757 1.00 1.17 H new ATOM 0 HB2 LEU A 93 11.690 -9.134 -5.974 1.00 1.91 H new ATOM 0 HB3 LEU A 93 10.676 -8.597 -7.299 1.00 1.91 H new ATOM 0 HG LEU A 93 9.945 -7.817 -5.151 1.00 1.89 H new ATOM 0 HD11 LEU A 93 7.534 -8.419 -5.356 1.00 2.20 H new ATOM 0 HD12 LEU A 93 8.292 -8.028 -6.918 1.00 2.20 H new ATOM 0 HD13 LEU A 93 7.985 -9.725 -6.478 1.00 2.20 H new ATOM 0 HD21 LEU A 93 8.836 -9.228 -3.490 1.00 3.23 H new ATOM 0 HD22 LEU A 93 9.429 -10.669 -4.351 1.00 3.23 H new ATOM 0 HD23 LEU A 93 10.586 -9.523 -3.634 1.00 3.23 H new ATOM 1531 N LYS A 94 10.234 -12.531 -5.360 1.00 1.19 N ATOM 1532 CA LYS A 94 10.629 -13.592 -4.425 1.00 1.16 C ATOM 1533 C LYS A 94 11.629 -14.580 -5.045 1.00 1.16 C ATOM 1534 O LYS A 94 12.352 -15.258 -4.321 1.00 1.26 O ATOM 1535 CB LYS A 94 9.427 -14.382 -3.880 1.00 1.35 C ATOM 1536 CG LYS A 94 8.423 -13.565 -3.058 1.00 1.60 C ATOM 1537 CD LYS A 94 7.656 -14.538 -2.144 1.00 1.90 C ATOM 1538 CE LYS A 94 6.506 -13.876 -1.372 1.00 2.46 C ATOM 1539 NZ LYS A 94 5.336 -13.612 -2.227 1.00 2.57 N ATOM 0 H LYS A 94 9.226 -12.431 -5.479 1.00 1.19 H new ATOM 0 HA LYS A 94 11.110 -13.069 -3.599 1.00 1.16 H new ATOM 0 HB2 LYS A 94 8.900 -14.835 -4.720 1.00 1.35 H new ATOM 0 HB3 LYS A 94 9.800 -15.198 -3.260 1.00 1.35 H new ATOM 0 HG2 LYS A 94 8.940 -12.811 -2.464 1.00 1.60 H new ATOM 0 HG3 LYS A 94 7.733 -13.035 -3.715 1.00 1.60 H new ATOM 0 HD2 LYS A 94 7.256 -15.352 -2.748 1.00 1.90 H new ATOM 0 HD3 LYS A 94 8.353 -14.981 -1.433 1.00 1.90 H new ATOM 0 HE2 LYS A 94 6.210 -14.520 -0.544 1.00 2.46 H new ATOM 0 HE3 LYS A 94 6.855 -12.939 -0.938 1.00 2.46 H new ATOM 0 HZ1 LYS A 94 4.696 -12.949 -1.745 1.00 2.57 H new ATOM 0 HZ2 LYS A 94 5.650 -13.197 -3.127 1.00 2.57 H new ATOM 0 HZ3 LYS A 94 4.834 -14.504 -2.414 1.00 2.57 H new ATOM 1553 N ILE A 95 11.689 -14.671 -6.377 1.00 1.19 N ATOM 1554 CA ILE A 95 12.690 -15.456 -7.079 1.00 1.32 C ATOM 1555 C ILE A 95 14.125 -15.105 -6.655 1.00 1.38 C ATOM 1556 O ILE A 95 15.039 -15.907 -6.844 1.00 1.56 O ATOM 1557 CB ILE A 95 12.460 -15.281 -8.590 1.00 1.36 C ATOM 1558 CG1 ILE A 95 13.086 -16.432 -9.384 1.00 1.66 C ATOM 1559 CG2 ILE A 95 12.969 -13.918 -9.089 1.00 2.05 C ATOM 1560 CD1 ILE A 95 12.628 -16.392 -10.843 1.00 1.81 C ATOM 0 H ILE A 95 11.035 -14.195 -6.998 1.00 1.19 H new ATOM 0 HA ILE A 95 12.577 -16.507 -6.813 1.00 1.32 H new ATOM 0 HB ILE A 95 11.383 -15.307 -8.759 1.00 1.36 H new ATOM 0 HG12 ILE A 95 14.173 -16.365 -9.337 1.00 1.66 H new ATOM 0 HG13 ILE A 95 12.806 -17.385 -8.935 1.00 1.66 H new ATOM 0 HG21 ILE A 95 12.789 -13.832 -10.161 1.00 2.05 H new ATOM 0 HG22 ILE A 95 12.442 -13.119 -8.567 1.00 2.05 H new ATOM 0 HG23 ILE A 95 14.038 -13.835 -8.893 1.00 2.05 H new ATOM 0 HD11 ILE A 95 13.083 -17.217 -11.390 1.00 1.81 H new ATOM 0 HD12 ILE A 95 11.543 -16.483 -10.886 1.00 1.81 H new ATOM 0 HD13 ILE A 95 12.931 -15.447 -11.294 1.00 1.81 H new ATOM 1572 N ARG A 96 14.347 -13.910 -6.095 1.00 1.33 N ATOM 1573 CA ARG A 96 15.568 -13.504 -5.412 1.00 1.51 C ATOM 1574 C ARG A 96 16.658 -13.084 -6.393 1.00 1.71 C ATOM 1575 O ARG A 96 17.288 -12.042 -6.195 1.00 2.20 O ATOM 1576 CB ARG A 96 16.051 -14.592 -4.431 1.00 1.82 C ATOM 1577 CG ARG A 96 16.818 -13.996 -3.246 1.00 1.95 C ATOM 1578 CD ARG A 96 18.285 -13.631 -3.510 1.00 2.53 C ATOM 1579 NE ARG A 96 18.710 -12.561 -2.595 1.00 3.21 N ATOM 1580 CZ ARG A 96 18.399 -11.257 -2.713 1.00 4.13 C ATOM 1581 NH1 ARG A 96 17.807 -10.758 -3.802 1.00 4.63 N ATOM 1582 NH2 ARG A 96 18.710 -10.415 -1.725 1.00 5.37 N ATOM 0 H ARG A 96 13.645 -13.170 -6.110 1.00 1.33 H new ATOM 0 HA ARG A 96 15.332 -12.621 -4.819 1.00 1.51 H new ATOM 0 HB2 ARG A 96 15.193 -15.154 -4.062 1.00 1.82 H new ATOM 0 HB3 ARG A 96 16.692 -15.298 -4.959 1.00 1.82 H new ATOM 0 HG2 ARG A 96 16.295 -13.099 -2.914 1.00 1.95 H new ATOM 0 HG3 ARG A 96 16.784 -14.708 -2.421 1.00 1.95 H new ATOM 0 HD2 ARG A 96 18.917 -14.509 -3.374 1.00 2.53 H new ATOM 0 HD3 ARG A 96 18.407 -13.307 -4.543 1.00 2.53 H new ATOM 0 HE ARG A 96 19.291 -12.831 -1.802 1.00 3.21 H new ATOM 0 HH11 ARG A 96 17.574 -11.372 -4.583 1.00 4.63 H new ATOM 0 HH12 ARG A 96 17.588 -9.763 -3.853 1.00 4.63 H new ATOM 0 HH21 ARG A 96 19.180 -10.761 -0.889 1.00 5.37 H new ATOM 0 HH22 ARG A 96 18.478 -9.425 -1.806 1.00 5.37 H new ATOM 1681 N GLU B 4 12.098 -15.100 0.414 1.00 2.04 N ATOM 1682 CA GLU B 4 13.410 -14.628 -0.026 1.00 1.67 C ATOM 1683 C GLU B 4 13.954 -13.892 1.214 1.00 1.70 C ATOM 1684 O GLU B 4 13.232 -13.830 2.212 1.00 2.38 O ATOM 1685 CB GLU B 4 13.365 -13.838 -1.362 1.00 1.60 C ATOM 1686 CG GLU B 4 13.163 -12.309 -1.289 1.00 1.90 C ATOM 1687 CD GLU B 4 14.122 -11.512 -2.174 1.00 2.47 C ATOM 1688 OE1 GLU B 4 15.219 -11.164 -1.680 1.00 3.50 O ATOM 1689 OE2 GLU B 4 13.755 -11.268 -3.339 1.00 2.82 O ATOM 0 HA GLU B 4 14.096 -15.422 -0.319 1.00 1.67 H new ATOM 0 HB2 GLU B 4 14.297 -14.027 -1.894 1.00 1.60 H new ATOM 0 HB3 GLU B 4 12.561 -14.253 -1.969 1.00 1.60 H new ATOM 0 HG2 GLU B 4 12.138 -12.074 -1.578 1.00 1.90 H new ATOM 0 HG3 GLU B 4 13.285 -11.986 -0.255 1.00 1.90 H new ATOM 1696 N PRO B 5 15.165 -13.320 1.252 1.00 1.54 N ATOM 1697 CA PRO B 5 15.536 -12.438 2.353 1.00 1.76 C ATOM 1698 C PRO B 5 14.746 -11.102 2.352 1.00 1.61 C ATOM 1699 O PRO B 5 15.335 -10.052 2.595 1.00 1.82 O ATOM 1700 CB PRO B 5 17.053 -12.258 2.206 1.00 2.33 C ATOM 1701 CG PRO B 5 17.272 -12.388 0.701 1.00 2.17 C ATOM 1702 CD PRO B 5 16.242 -13.440 0.289 1.00 1.72 C ATOM 0 HA PRO B 5 15.279 -12.864 3.323 1.00 1.76 H new ATOM 0 HB2 PRO B 5 17.382 -11.288 2.579 1.00 2.33 H new ATOM 0 HB3 PRO B 5 17.605 -13.017 2.761 1.00 2.33 H new ATOM 0 HG2 PRO B 5 17.108 -11.441 0.187 1.00 2.17 H new ATOM 0 HG3 PRO B 5 18.288 -12.706 0.468 1.00 2.17 H new ATOM 0 HD2 PRO B 5 15.884 -13.264 -0.725 1.00 1.72 H new ATOM 0 HD3 PRO B 5 16.674 -14.441 0.305 1.00 1.72 H new ATOM 1710 N LEU B 6 13.420 -11.122 2.136 1.00 1.47 N ATOM 1711 CA LEU B 6 12.537 -9.960 2.185 1.00 1.51 C ATOM 1712 C LEU B 6 11.821 -9.940 3.525 1.00 1.37 C ATOM 1713 O LEU B 6 11.566 -10.995 4.100 1.00 1.44 O ATOM 1714 CB LEU B 6 11.508 -9.947 1.034 1.00 1.55 C ATOM 1715 CG LEU B 6 10.244 -10.826 1.184 1.00 1.49 C ATOM 1716 CD1 LEU B 6 9.289 -10.566 0.013 1.00 1.99 C ATOM 1717 CD2 LEU B 6 10.533 -12.325 1.227 1.00 2.56 C ATOM 0 H LEU B 6 12.922 -11.984 1.915 1.00 1.47 H new ATOM 0 HA LEU B 6 13.151 -9.068 2.066 1.00 1.51 H new ATOM 0 HB2 LEU B 6 11.184 -8.917 0.887 1.00 1.55 H new ATOM 0 HB3 LEU B 6 12.022 -10.253 0.123 1.00 1.55 H new ATOM 0 HG LEU B 6 9.803 -10.546 2.141 1.00 1.49 H new ATOM 0 HD11 LEU B 6 8.400 -11.188 0.123 1.00 1.99 H new ATOM 0 HD12 LEU B 6 8.999 -9.515 0.007 1.00 1.99 H new ATOM 0 HD13 LEU B 6 9.788 -10.810 -0.925 1.00 1.99 H new ATOM 0 HD21 LEU B 6 9.597 -12.873 1.333 1.00 2.56 H new ATOM 0 HD22 LEU B 6 11.027 -12.627 0.304 1.00 2.56 H new ATOM 0 HD23 LEU B 6 11.181 -12.546 2.075 1.00 2.56 H new ATOM 1729 N THR B 7 11.467 -8.751 4.005 1.00 1.41 N ATOM 1730 CA THR B 7 10.679 -8.583 5.219 1.00 1.28 C ATOM 1731 C THR B 7 9.240 -8.226 4.855 1.00 1.13 C ATOM 1732 O THR B 7 8.985 -7.767 3.742 1.00 1.23 O ATOM 1733 CB THR B 7 11.337 -7.505 6.082 1.00 1.38 C ATOM 1734 OG1 THR B 7 12.728 -7.748 6.110 1.00 1.90 O ATOM 1735 CG2 THR B 7 10.811 -7.470 7.518 1.00 1.26 C ATOM 0 H THR B 7 11.722 -7.871 3.557 1.00 1.41 H new ATOM 0 HA THR B 7 10.647 -9.511 5.791 1.00 1.28 H new ATOM 0 HB THR B 7 11.099 -6.539 5.636 1.00 1.38 H new ATOM 0 HG1 THR B 7 13.032 -7.799 7.040 1.00 1.90 H new ATOM 0 HG21 THR B 7 11.321 -6.683 8.073 1.00 1.26 H new ATOM 0 HG22 THR B 7 9.739 -7.271 7.508 1.00 1.26 H new ATOM 0 HG23 THR B 7 10.998 -8.431 7.997 1.00 1.26 H new ATOM 1743 N GLU B 8 8.326 -8.373 5.817 1.00 1.06 N ATOM 1744 CA GLU B 8 6.915 -8.017 5.725 1.00 1.10 C ATOM 1745 C GLU B 8 6.669 -6.714 4.950 1.00 1.13 C ATOM 1746 O GLU B 8 5.703 -6.618 4.198 1.00 1.22 O ATOM 1747 CB GLU B 8 6.322 -7.855 7.134 1.00 1.23 C ATOM 1748 CG GLU B 8 6.396 -9.082 8.052 1.00 1.63 C ATOM 1749 CD GLU B 8 7.760 -9.229 8.696 1.00 2.43 C ATOM 1750 OE1 GLU B 8 7.982 -8.625 9.765 1.00 3.43 O ATOM 1751 OE2 GLU B 8 8.573 -9.937 8.060 1.00 3.17 O ATOM 0 H GLU B 8 8.567 -8.765 6.728 1.00 1.06 H new ATOM 0 HA GLU B 8 6.432 -8.829 5.181 1.00 1.10 H new ATOM 0 HB2 GLU B 8 6.834 -7.029 7.627 1.00 1.23 H new ATOM 0 HB3 GLU B 8 5.276 -7.567 7.033 1.00 1.23 H new ATOM 0 HG2 GLU B 8 5.636 -9.000 8.829 1.00 1.63 H new ATOM 0 HG3 GLU B 8 6.168 -9.979 7.477 1.00 1.63 H new ATOM 1758 N LEU B 9 7.513 -5.694 5.148 1.00 1.12 N ATOM 1759 CA LEU B 9 7.339 -4.406 4.488 1.00 1.23 C ATOM 1760 C LEU B 9 7.400 -4.591 2.967 1.00 1.34 C ATOM 1761 O LEU B 9 6.403 -4.366 2.281 1.00 1.39 O ATOM 1762 CB LEU B 9 8.401 -3.401 4.969 1.00 1.29 C ATOM 1763 CG LEU B 9 8.309 -2.948 6.439 1.00 1.23 C ATOM 1764 CD1 LEU B 9 6.955 -2.316 6.779 1.00 1.81 C ATOM 1765 CD2 LEU B 9 8.650 -4.045 7.453 1.00 1.88 C ATOM 0 H LEU B 9 8.325 -5.742 5.764 1.00 1.12 H new ATOM 0 HA LEU B 9 6.361 -4.001 4.749 1.00 1.23 H new ATOM 0 HB2 LEU B 9 9.385 -3.843 4.810 1.00 1.29 H new ATOM 0 HB3 LEU B 9 8.343 -2.516 4.336 1.00 1.29 H new ATOM 0 HG LEU B 9 9.080 -2.182 6.529 1.00 1.23 H new ATOM 0 HD11 LEU B 9 6.946 -2.016 7.827 1.00 1.81 H new ATOM 0 HD12 LEU B 9 6.794 -1.441 6.149 1.00 1.81 H new ATOM 0 HD13 LEU B 9 6.161 -3.041 6.603 1.00 1.81 H new ATOM 0 HD21 LEU B 9 8.562 -3.646 8.464 1.00 1.88 H new ATOM 0 HD22 LEU B 9 7.961 -4.880 7.331 1.00 1.88 H new ATOM 0 HD23 LEU B 9 9.671 -4.390 7.287 1.00 1.88 H new ATOM 1777 N GLU B 10 8.541 -5.062 2.448 1.00 1.43 N ATOM 1778 CA GLU B 10 8.660 -5.470 1.046 1.00 1.46 C ATOM 1779 C GLU B 10 7.513 -6.412 0.675 1.00 1.43 C ATOM 1780 O GLU B 10 6.810 -6.208 -0.316 1.00 1.47 O ATOM 1781 CB GLU B 10 10.036 -6.105 0.809 1.00 1.40 C ATOM 1782 CG GLU B 10 10.254 -6.808 -0.549 1.00 1.23 C ATOM 1783 CD GLU B 10 10.099 -5.986 -1.827 1.00 1.89 C ATOM 1784 OE1 GLU B 10 9.066 -5.309 -2.020 1.00 2.52 O ATOM 1785 OE2 GLU B 10 10.997 -6.058 -2.691 1.00 3.12 O ATOM 0 H GLU B 10 9.401 -5.170 2.985 1.00 1.43 H new ATOM 0 HA GLU B 10 8.583 -4.598 0.396 1.00 1.46 H new ATOM 0 HB2 GLU B 10 10.792 -5.327 0.914 1.00 1.40 H new ATOM 0 HB3 GLU B 10 10.215 -6.832 1.601 1.00 1.40 H new ATOM 0 HG2 GLU B 10 11.259 -7.231 -0.546 1.00 1.23 H new ATOM 0 HG3 GLU B 10 9.557 -7.644 -0.606 1.00 1.23 H new ATOM 1792 N GLU B 11 7.270 -7.424 1.509 1.00 1.41 N ATOM 1793 CA GLU B 11 6.243 -8.403 1.194 1.00 1.43 C ATOM 1794 C GLU B 11 4.848 -7.768 1.052 1.00 1.34 C ATOM 1795 O GLU B 11 3.997 -8.288 0.330 1.00 1.37 O ATOM 1796 CB GLU B 11 6.297 -9.584 2.169 1.00 1.49 C ATOM 1797 CG GLU B 11 5.682 -10.852 1.551 1.00 1.64 C ATOM 1798 CD GLU B 11 6.159 -12.116 2.252 1.00 2.08 C ATOM 1799 OE1 GLU B 11 6.393 -12.032 3.476 1.00 2.92 O ATOM 1800 OE2 GLU B 11 6.319 -13.135 1.543 1.00 2.60 O ATOM 0 H GLU B 11 7.762 -7.581 2.389 1.00 1.41 H new ATOM 0 HA GLU B 11 6.456 -8.812 0.207 1.00 1.43 H new ATOM 0 HB2 GLU B 11 7.332 -9.779 2.449 1.00 1.49 H new ATOM 0 HB3 GLU B 11 5.762 -9.327 3.084 1.00 1.49 H new ATOM 0 HG2 GLU B 11 4.595 -10.793 1.609 1.00 1.64 H new ATOM 0 HG3 GLU B 11 5.942 -10.903 0.494 1.00 1.64 H new ATOM 1807 N SER B 12 4.600 -6.602 1.660 1.00 1.32 N ATOM 1808 CA SER B 12 3.308 -5.953 1.490 1.00 1.28 C ATOM 1809 C SER B 12 3.223 -5.413 0.064 1.00 1.19 C ATOM 1810 O SER B 12 2.181 -5.465 -0.589 1.00 1.25 O ATOM 1811 CB SER B 12 3.139 -4.833 2.520 1.00 1.41 C ATOM 1812 OG SER B 12 3.253 -5.351 3.832 1.00 2.12 O ATOM 0 H SER B 12 5.261 -6.105 2.257 1.00 1.32 H new ATOM 0 HA SER B 12 2.501 -6.668 1.651 1.00 1.28 H new ATOM 0 HB2 SER B 12 3.894 -4.064 2.358 1.00 1.41 H new ATOM 0 HB3 SER B 12 2.167 -4.357 2.393 1.00 1.41 H new ATOM 0 HG SER B 12 4.140 -5.751 3.950 1.00 2.12 H new ATOM 1818 N ILE B 13 4.350 -4.897 -0.423 1.00 1.10 N ATOM 1819 CA ILE B 13 4.448 -4.280 -1.725 1.00 1.06 C ATOM 1820 C ILE B 13 4.302 -5.364 -2.781 1.00 1.05 C ATOM 1821 O ILE B 13 3.480 -5.229 -3.688 1.00 0.99 O ATOM 1822 CB ILE B 13 5.781 -3.521 -1.844 1.00 1.08 C ATOM 1823 CG1 ILE B 13 5.888 -2.505 -0.700 1.00 1.20 C ATOM 1824 CG2 ILE B 13 5.977 -2.802 -3.187 1.00 1.06 C ATOM 1825 CD1 ILE B 13 7.304 -1.979 -0.604 1.00 1.22 C ATOM 0 H ILE B 13 5.230 -4.901 0.092 1.00 1.10 H new ATOM 0 HA ILE B 13 3.653 -3.548 -1.872 1.00 1.06 H new ATOM 0 HB ILE B 13 6.569 -4.272 -1.784 1.00 1.08 H new ATOM 0 HG12 ILE B 13 5.196 -1.680 -0.870 1.00 1.20 H new ATOM 0 HG13 ILE B 13 5.601 -2.974 0.241 1.00 1.20 H new ATOM 0 HG21 ILE B 13 6.940 -2.292 -3.189 1.00 1.06 H new ATOM 0 HG22 ILE B 13 5.950 -3.531 -3.997 1.00 1.06 H new ATOM 0 HG23 ILE B 13 5.180 -2.072 -3.329 1.00 1.06 H new ATOM 0 HD11 ILE B 13 7.370 -1.258 0.211 1.00 1.22 H new ATOM 0 HD12 ILE B 13 7.987 -2.806 -0.413 1.00 1.22 H new ATOM 0 HD13 ILE B 13 7.576 -1.493 -1.541 1.00 1.22 H new ATOM 1837 N GLU B 14 5.089 -6.441 -2.657 1.00 1.16 N ATOM 1838 CA GLU B 14 5.009 -7.538 -3.608 1.00 1.19 C ATOM 1839 C GLU B 14 3.579 -8.094 -3.663 1.00 1.19 C ATOM 1840 O GLU B 14 3.047 -8.332 -4.745 1.00 1.18 O ATOM 1841 CB GLU B 14 6.118 -8.569 -3.386 1.00 1.42 C ATOM 1842 CG GLU B 14 5.886 -9.560 -2.255 1.00 1.41 C ATOM 1843 CD GLU B 14 5.230 -10.839 -2.731 1.00 2.03 C ATOM 1844 OE1 GLU B 14 5.791 -11.486 -3.644 1.00 2.47 O ATOM 1845 OE2 GLU B 14 4.259 -11.293 -2.090 1.00 3.08 O ATOM 0 H GLU B 14 5.777 -6.568 -1.915 1.00 1.16 H new ATOM 0 HA GLU B 14 5.209 -7.167 -4.613 1.00 1.19 H new ATOM 0 HB2 GLU B 14 6.258 -9.129 -4.311 1.00 1.42 H new ATOM 0 HB3 GLU B 14 7.049 -8.037 -3.192 1.00 1.42 H new ATOM 0 HG2 GLU B 14 6.839 -9.798 -1.783 1.00 1.41 H new ATOM 0 HG3 GLU B 14 5.260 -9.096 -1.492 1.00 1.41 H new ATOM 1852 N THR B 15 2.924 -8.207 -2.503 1.00 1.24 N ATOM 1853 CA THR B 15 1.524 -8.601 -2.419 1.00 1.28 C ATOM 1854 C THR B 15 0.647 -7.624 -3.213 1.00 1.21 C ATOM 1855 O THR B 15 -0.084 -8.049 -4.106 1.00 1.23 O ATOM 1856 CB THR B 15 1.070 -8.757 -0.957 1.00 1.39 C ATOM 1857 OG1 THR B 15 1.832 -9.766 -0.331 1.00 1.44 O ATOM 1858 CG2 THR B 15 -0.394 -9.196 -0.871 1.00 1.42 C ATOM 0 H THR B 15 3.356 -8.026 -1.597 1.00 1.24 H new ATOM 0 HA THR B 15 1.409 -9.584 -2.876 1.00 1.28 H new ATOM 0 HB THR B 15 1.200 -7.789 -0.473 1.00 1.39 H new ATOM 0 HG1 THR B 15 2.713 -9.410 -0.092 1.00 1.44 H new ATOM 0 HG21 THR B 15 -0.683 -9.297 0.175 1.00 1.42 H new ATOM 0 HG22 THR B 15 -1.026 -8.450 -1.352 1.00 1.42 H new ATOM 0 HG23 THR B 15 -0.517 -10.155 -1.375 1.00 1.42 H new ATOM 1866 N VAL B 16 0.717 -6.316 -2.938 1.00 1.15 N ATOM 1867 CA VAL B 16 -0.074 -5.346 -3.680 1.00 1.09 C ATOM 1868 C VAL B 16 0.138 -5.499 -5.190 1.00 1.04 C ATOM 1869 O VAL B 16 -0.834 -5.562 -5.942 1.00 1.08 O ATOM 1870 CB VAL B 16 0.235 -3.921 -3.199 1.00 1.05 C ATOM 1871 CG1 VAL B 16 -0.310 -2.905 -4.204 1.00 1.01 C ATOM 1872 CG2 VAL B 16 -0.392 -3.633 -1.830 1.00 1.15 C ATOM 0 H VAL B 16 1.310 -5.914 -2.212 1.00 1.15 H new ATOM 0 HA VAL B 16 -1.129 -5.539 -3.486 1.00 1.09 H new ATOM 0 HB VAL B 16 1.318 -3.836 -3.112 1.00 1.05 H new ATOM 0 HG11 VAL B 16 -0.088 -1.896 -3.858 1.00 1.01 H new ATOM 0 HG12 VAL B 16 0.158 -3.067 -5.175 1.00 1.01 H new ATOM 0 HG13 VAL B 16 -1.389 -3.028 -4.297 1.00 1.01 H new ATOM 0 HG21 VAL B 16 -0.150 -2.615 -1.526 1.00 1.15 H new ATOM 0 HG22 VAL B 16 -1.474 -3.745 -1.895 1.00 1.15 H new ATOM 0 HG23 VAL B 16 0.002 -4.335 -1.095 1.00 1.15 H new ATOM 1882 N VAL B 17 1.383 -5.546 -5.671 1.00 0.97 N ATOM 1883 CA VAL B 17 1.580 -5.709 -7.110 1.00 0.92 C ATOM 1884 C VAL B 17 1.028 -7.053 -7.608 1.00 0.99 C ATOM 1885 O VAL B 17 0.458 -7.110 -8.698 1.00 1.02 O ATOM 1886 CB VAL B 17 3.011 -5.410 -7.581 1.00 0.76 C ATOM 1887 CG1 VAL B 17 3.405 -3.964 -7.262 1.00 1.05 C ATOM 1888 CG2 VAL B 17 4.025 -6.346 -6.943 1.00 0.77 C ATOM 0 H VAL B 17 2.234 -5.477 -5.113 1.00 0.97 H new ATOM 0 HA VAL B 17 0.984 -4.934 -7.592 1.00 0.92 H new ATOM 0 HB VAL B 17 3.020 -5.564 -8.660 1.00 0.76 H new ATOM 0 HG11 VAL B 17 4.423 -3.780 -7.606 1.00 1.05 H new ATOM 0 HG12 VAL B 17 2.722 -3.281 -7.767 1.00 1.05 H new ATOM 0 HG13 VAL B 17 3.351 -3.801 -6.186 1.00 1.05 H new ATOM 0 HG21 VAL B 17 5.024 -6.100 -7.303 1.00 0.77 H new ATOM 0 HG22 VAL B 17 3.992 -6.234 -5.859 1.00 0.77 H new ATOM 0 HG23 VAL B 17 3.787 -7.376 -7.208 1.00 0.77 H new ATOM 1898 N THR B 18 1.129 -8.114 -6.797 1.00 1.10 N ATOM 1899 CA THR B 18 0.438 -9.374 -7.057 1.00 1.28 C ATOM 1900 C THR B 18 -1.040 -9.102 -7.323 1.00 1.20 C ATOM 1901 O THR B 18 -1.609 -9.660 -8.256 1.00 1.27 O ATOM 1902 CB THR B 18 0.643 -10.388 -5.906 1.00 1.60 C ATOM 1903 OG1 THR B 18 1.349 -11.512 -6.393 1.00 1.87 O ATOM 1904 CG2 THR B 18 -0.654 -10.883 -5.240 1.00 1.78 C ATOM 0 H THR B 18 1.691 -8.119 -5.946 1.00 1.10 H new ATOM 0 HA THR B 18 0.870 -9.833 -7.946 1.00 1.28 H new ATOM 0 HB THR B 18 1.199 -9.849 -5.139 1.00 1.60 H new ATOM 0 HG1 THR B 18 1.482 -12.155 -5.666 1.00 1.87 H new ATOM 0 HG21 THR B 18 -0.409 -11.589 -4.446 1.00 1.78 H new ATOM 0 HG22 THR B 18 -1.193 -10.035 -4.818 1.00 1.78 H new ATOM 0 HG23 THR B 18 -1.280 -11.376 -5.984 1.00 1.78 H new ATOM 1912 N THR B 19 -1.676 -8.251 -6.518 1.00 1.15 N ATOM 1913 CA THR B 19 -3.094 -7.992 -6.649 1.00 1.17 C ATOM 1914 C THR B 19 -3.438 -7.502 -8.068 1.00 0.98 C ATOM 1915 O THR B 19 -4.431 -7.937 -8.642 1.00 1.03 O ATOM 1916 CB THR B 19 -3.542 -7.051 -5.532 1.00 1.35 C ATOM 1917 OG1 THR B 19 -3.038 -7.491 -4.287 1.00 1.88 O ATOM 1918 CG2 THR B 19 -5.065 -6.952 -5.451 1.00 1.27 C ATOM 0 H THR B 19 -1.221 -7.731 -5.767 1.00 1.15 H new ATOM 0 HA THR B 19 -3.660 -8.915 -6.527 1.00 1.17 H new ATOM 0 HB THR B 19 -3.145 -6.063 -5.764 1.00 1.35 H new ATOM 0 HG1 THR B 19 -3.625 -8.186 -3.924 1.00 1.88 H new ATOM 0 HG21 THR B 19 -5.343 -6.274 -4.644 1.00 1.27 H new ATOM 0 HG22 THR B 19 -5.456 -6.573 -6.395 1.00 1.27 H new ATOM 0 HG23 THR B 19 -5.484 -7.939 -5.255 1.00 1.27 H new ATOM 1926 N PHE B 20 -2.597 -6.671 -8.699 1.00 0.89 N ATOM 1927 CA PHE B 20 -2.823 -6.303 -10.103 1.00 0.93 C ATOM 1928 C PHE B 20 -2.867 -7.525 -11.031 1.00 1.14 C ATOM 1929 O PHE B 20 -3.539 -7.492 -12.059 1.00 1.34 O ATOM 1930 CB PHE B 20 -1.760 -5.316 -10.608 1.00 0.95 C ATOM 1931 CG PHE B 20 -1.677 -4.017 -9.831 1.00 0.98 C ATOM 1932 CD1 PHE B 20 -2.818 -3.210 -9.669 1.00 1.16 C ATOM 1933 CD2 PHE B 20 -0.444 -3.586 -9.313 1.00 2.11 C ATOM 1934 CE1 PHE B 20 -2.741 -2.033 -8.907 1.00 1.18 C ATOM 1935 CE2 PHE B 20 -0.391 -2.471 -8.460 1.00 2.19 C ATOM 1936 CZ PHE B 20 -1.541 -1.689 -8.258 1.00 1.17 C ATOM 0 H PHE B 20 -1.772 -6.249 -8.272 1.00 0.89 H new ATOM 0 HA PHE B 20 -3.800 -5.820 -10.130 1.00 0.93 H new ATOM 0 HB2 PHE B 20 -0.786 -5.805 -10.576 1.00 0.95 H new ATOM 0 HB3 PHE B 20 -1.966 -5.085 -11.653 1.00 0.95 H new ATOM 0 HD1 PHE B 20 -3.752 -3.495 -10.130 1.00 1.16 H new ATOM 0 HD2 PHE B 20 0.463 -4.112 -9.571 1.00 2.11 H new ATOM 0 HE1 PHE B 20 -3.605 -1.391 -8.819 1.00 1.18 H new ATOM 0 HE2 PHE B 20 0.532 -2.215 -7.960 1.00 2.19 H new ATOM 0 HZ PHE B 20 -1.504 -0.828 -7.607 1.00 1.17 H new ATOM 1946 N PHE B 21 -2.135 -8.595 -10.700 1.00 1.23 N ATOM 1947 CA PHE B 21 -2.110 -9.825 -11.481 1.00 1.53 C ATOM 1948 C PHE B 21 -3.520 -10.409 -11.616 1.00 1.32 C ATOM 1949 O PHE B 21 -3.897 -10.857 -12.699 1.00 1.62 O ATOM 1950 CB PHE B 21 -1.150 -10.857 -10.863 1.00 1.90 C ATOM 1951 CG PHE B 21 -0.720 -11.973 -11.799 1.00 2.45 C ATOM 1952 CD1 PHE B 21 -1.580 -13.063 -12.044 1.00 3.26 C ATOM 1953 CD2 PHE B 21 0.580 -11.980 -12.341 1.00 3.16 C ATOM 1954 CE1 PHE B 21 -1.166 -14.119 -12.875 1.00 4.08 C ATOM 1955 CE2 PHE B 21 1.013 -13.063 -13.127 1.00 3.87 C ATOM 1956 CZ PHE B 21 0.131 -14.118 -13.421 1.00 4.12 C ATOM 0 H PHE B 21 -1.539 -8.626 -9.873 1.00 1.23 H new ATOM 0 HA PHE B 21 -1.742 -9.581 -12.478 1.00 1.53 H new ATOM 0 HB2 PHE B 21 -0.260 -10.337 -10.509 1.00 1.90 H new ATOM 0 HB3 PHE B 21 -1.629 -11.300 -9.990 1.00 1.90 H new ATOM 0 HD1 PHE B 21 -2.560 -13.087 -11.592 1.00 3.26 H new ATOM 0 HD2 PHE B 21 1.246 -11.151 -12.152 1.00 3.16 H new ATOM 0 HE1 PHE B 21 -1.844 -14.931 -13.094 1.00 4.08 H new ATOM 0 HE2 PHE B 21 2.024 -13.084 -13.505 1.00 3.87 H new ATOM 0 HZ PHE B 21 0.448 -14.925 -14.064 1.00 4.12 H new ATOM 1966 N THR B 22 -4.280 -10.415 -10.519 1.00 1.19 N ATOM 1967 CA THR B 22 -5.614 -11.004 -10.439 1.00 1.39 C ATOM 1968 C THR B 22 -6.618 -9.965 -10.959 1.00 1.51 C ATOM 1969 O THR B 22 -7.261 -9.234 -10.209 1.00 2.10 O ATOM 1970 CB THR B 22 -5.881 -11.557 -9.017 1.00 2.04 C ATOM 1971 OG1 THR B 22 -7.231 -11.944 -8.850 1.00 3.70 O ATOM 1972 CG2 THR B 22 -5.468 -10.610 -7.890 1.00 3.30 C ATOM 0 H THR B 22 -3.974 -9.999 -9.639 1.00 1.19 H new ATOM 0 HA THR B 22 -5.720 -11.882 -11.076 1.00 1.39 H new ATOM 0 HB THR B 22 -5.241 -12.436 -8.938 1.00 2.04 H new ATOM 0 HG1 THR B 22 -7.550 -11.647 -7.972 1.00 3.70 H new ATOM 0 HG21 THR B 22 -5.688 -11.072 -6.928 1.00 3.30 H new ATOM 0 HG22 THR B 22 -4.399 -10.407 -7.959 1.00 3.30 H new ATOM 0 HG23 THR B 22 -6.022 -9.675 -7.979 1.00 3.30 H new ATOM 2097 N LYS B 30 -2.524 -3.561 -17.492 1.00 1.57 N ATOM 2098 CA LYS B 30 -1.455 -2.699 -17.980 1.00 1.67 C ATOM 2099 C LYS B 30 -0.636 -2.160 -16.805 1.00 1.64 C ATOM 2100 O LYS B 30 0.576 -2.343 -16.750 1.00 2.38 O ATOM 2101 CB LYS B 30 -2.040 -1.586 -18.859 1.00 2.26 C ATOM 2102 CG LYS B 30 -0.934 -0.876 -19.654 1.00 3.43 C ATOM 2103 CD LYS B 30 -1.504 0.076 -20.716 1.00 4.01 C ATOM 2104 CE LYS B 30 -2.432 1.156 -20.146 1.00 3.94 C ATOM 2105 NZ LYS B 30 -1.760 2.056 -19.189 1.00 5.09 N ATOM 0 HA LYS B 30 -0.771 -3.273 -18.605 1.00 1.67 H new ATOM 0 HB2 LYS B 30 -2.774 -2.008 -19.546 1.00 2.26 H new ATOM 0 HB3 LYS B 30 -2.566 -0.863 -18.235 1.00 2.26 H new ATOM 0 HG2 LYS B 30 -0.299 -0.315 -18.968 1.00 3.43 H new ATOM 0 HG3 LYS B 30 -0.301 -1.620 -20.138 1.00 3.43 H new ATOM 0 HD2 LYS B 30 -0.678 0.559 -21.238 1.00 4.01 H new ATOM 0 HD3 LYS B 30 -2.052 -0.507 -21.456 1.00 4.01 H new ATOM 0 HE2 LYS B 30 -2.838 1.747 -20.967 1.00 3.94 H new ATOM 0 HE3 LYS B 30 -3.276 0.676 -19.651 1.00 3.94 H new ATOM 0 HZ1 LYS B 30 -2.463 2.685 -18.752 1.00 5.09 H new ATOM 0 HZ2 LYS B 30 -1.294 1.492 -18.450 1.00 5.09 H new ATOM 0 HZ3 LYS B 30 -1.049 2.626 -19.689 1.00 5.09 H new ATOM 2119 N ASP B 31 -1.329 -1.487 -15.879 1.00 1.23 N ATOM 2120 CA ASP B 31 -0.752 -0.774 -14.743 1.00 1.24 C ATOM 2121 C ASP B 31 -1.587 -1.097 -13.509 1.00 1.25 C ATOM 2122 O ASP B 31 -1.112 -1.693 -12.545 1.00 1.76 O ATOM 2123 CB ASP B 31 -0.788 0.745 -14.994 1.00 1.33 C ATOM 2124 CG ASP B 31 0.209 1.201 -16.044 1.00 2.07 C ATOM 2125 OD1 ASP B 31 1.377 1.424 -15.661 1.00 2.51 O ATOM 2126 OD2 ASP B 31 -0.236 1.354 -17.205 1.00 3.34 O ATOM 0 H ASP B 31 -2.347 -1.424 -15.905 1.00 1.23 H new ATOM 0 HA ASP B 31 0.284 -1.081 -14.602 1.00 1.24 H new ATOM 0 HB2 ASP B 31 -1.792 1.031 -15.307 1.00 1.33 H new ATOM 0 HB3 ASP B 31 -0.585 1.266 -14.059 1.00 1.33 H new ATOM 2131 N SER B 32 -2.848 -0.673 -13.563 1.00 1.00 N ATOM 2132 CA SER B 32 -3.899 -0.952 -12.609 1.00 1.06 C ATOM 2133 C SER B 32 -5.207 -0.981 -13.409 1.00 1.14 C ATOM 2134 O SER B 32 -5.197 -1.342 -14.587 1.00 1.24 O ATOM 2135 CB SER B 32 -3.859 0.127 -11.517 1.00 1.00 C ATOM 2136 OG SER B 32 -4.860 -0.070 -10.536 1.00 1.62 O ATOM 0 H SER B 32 -3.176 -0.086 -14.330 1.00 1.00 H new ATOM 0 HA SER B 32 -3.790 -1.908 -12.096 1.00 1.06 H new ATOM 0 HB2 SER B 32 -2.879 0.123 -11.040 1.00 1.00 H new ATOM 0 HB3 SER B 32 -3.987 1.109 -11.973 1.00 1.00 H new ATOM 0 HG SER B 32 -4.801 -0.984 -10.188 1.00 1.62 H new ATOM 2142 N LEU B 33 -6.316 -0.603 -12.774 1.00 1.16 N ATOM 2143 CA LEU B 33 -7.645 -0.553 -13.363 1.00 1.22 C ATOM 2144 C LEU B 33 -7.881 0.848 -13.959 1.00 1.19 C ATOM 2145 O LEU B 33 -6.931 1.540 -14.330 1.00 1.32 O ATOM 2146 CB LEU B 33 -8.690 -0.938 -12.292 1.00 1.21 C ATOM 2147 CG LEU B 33 -8.504 -2.301 -11.593 1.00 1.34 C ATOM 2148 CD1 LEU B 33 -8.295 -3.439 -12.597 1.00 1.97 C ATOM 2149 CD2 LEU B 33 -7.411 -2.313 -10.518 1.00 1.49 C ATOM 0 H LEU B 33 -6.308 -0.312 -11.796 1.00 1.16 H new ATOM 0 HA LEU B 33 -7.741 -1.270 -14.178 1.00 1.22 H new ATOM 0 HB2 LEU B 33 -8.693 -0.162 -11.527 1.00 1.21 H new ATOM 0 HB3 LEU B 33 -9.674 -0.928 -12.760 1.00 1.21 H new ATOM 0 HG LEU B 33 -9.444 -2.472 -11.068 1.00 1.34 H new ATOM 0 HD11 LEU B 33 -8.169 -4.379 -12.060 1.00 1.97 H new ATOM 0 HD12 LEU B 33 -9.163 -3.510 -13.253 1.00 1.97 H new ATOM 0 HD13 LEU B 33 -7.405 -3.239 -13.193 1.00 1.97 H new ATOM 0 HD21 LEU B 33 -7.346 -3.308 -10.077 1.00 1.49 H new ATOM 0 HD22 LEU B 33 -6.454 -2.053 -10.970 1.00 1.49 H new ATOM 0 HD23 LEU B 33 -7.656 -1.587 -9.742 1.00 1.49 H new ATOM 2161 N SER B 34 -9.140 1.288 -14.022 1.00 1.17 N ATOM 2162 CA SER B 34 -9.506 2.675 -14.246 1.00 1.13 C ATOM 2163 C SER B 34 -10.002 3.248 -12.915 1.00 0.99 C ATOM 2164 O SER B 34 -10.321 2.511 -11.977 1.00 0.98 O ATOM 2165 CB SER B 34 -10.504 2.774 -15.402 1.00 1.30 C ATOM 2166 OG SER B 34 -11.011 4.088 -15.504 1.00 1.67 O ATOM 0 H SER B 34 -9.945 0.671 -13.916 1.00 1.17 H new ATOM 0 HA SER B 34 -8.656 3.281 -14.560 1.00 1.13 H new ATOM 0 HB2 SER B 34 -10.018 2.492 -16.336 1.00 1.30 H new ATOM 0 HB3 SER B 34 -11.323 2.073 -15.244 1.00 1.30 H new ATOM 0 HG SER B 34 -11.706 4.224 -14.827 1.00 1.67 H new ATOM 2172 N VAL B 35 -9.939 4.574 -12.798 1.00 0.97 N ATOM 2173 CA VAL B 35 -9.896 5.272 -11.523 1.00 0.90 C ATOM 2174 C VAL B 35 -11.262 5.239 -10.833 1.00 0.81 C ATOM 2175 O VAL B 35 -11.360 4.962 -9.638 1.00 0.71 O ATOM 2176 CB VAL B 35 -9.417 6.705 -11.786 1.00 1.01 C ATOM 2177 CG1 VAL B 35 -9.283 7.514 -10.504 1.00 0.96 C ATOM 2178 CG2 VAL B 35 -8.073 6.759 -12.516 1.00 1.20 C ATOM 0 H VAL B 35 -9.916 5.200 -13.603 1.00 0.97 H new ATOM 0 HA VAL B 35 -9.202 4.779 -10.843 1.00 0.90 H new ATOM 0 HB VAL B 35 -10.190 7.139 -12.420 1.00 1.01 H new ATOM 0 HG11 VAL B 35 -8.941 8.521 -10.743 1.00 0.96 H new ATOM 0 HG12 VAL B 35 -10.251 7.568 -10.005 1.00 0.96 H new ATOM 0 HG13 VAL B 35 -8.561 7.033 -9.844 1.00 0.96 H new ATOM 0 HG21 VAL B 35 -7.786 7.799 -12.674 1.00 1.20 H new ATOM 0 HG22 VAL B 35 -7.312 6.260 -11.915 1.00 1.20 H new ATOM 0 HG23 VAL B 35 -8.162 6.257 -13.479 1.00 1.20 H new ATOM 2188 N ASN B 36 -12.318 5.539 -11.588 1.00 0.94 N ATOM 2189 CA ASN B 36 -13.687 5.534 -11.094 1.00 0.99 C ATOM 2190 C ASN B 36 -14.037 4.136 -10.588 1.00 0.93 C ATOM 2191 O ASN B 36 -14.382 3.936 -9.424 1.00 0.92 O ATOM 2192 CB ASN B 36 -14.643 5.956 -12.220 1.00 1.31 C ATOM 2193 CG ASN B 36 -15.937 6.510 -11.640 1.00 2.14 C ATOM 2194 OD1 ASN B 36 -16.844 5.763 -11.297 1.00 3.10 O ATOM 2195 ND2 ASN B 36 -16.027 7.832 -11.508 1.00 2.45 N ATOM 0 H ASN B 36 -12.242 5.795 -12.572 1.00 0.94 H new ATOM 0 HA ASN B 36 -13.786 6.242 -10.271 1.00 0.99 H new ATOM 0 HB2 ASN B 36 -14.166 6.710 -12.847 1.00 1.31 H new ATOM 0 HB3 ASN B 36 -14.861 5.101 -12.860 1.00 1.31 H new ATOM 0 HD21 ASN B 36 -16.869 8.249 -11.112 1.00 2.45 H new ATOM 0 HD22 ASN B 36 -15.254 8.428 -11.803 1.00 2.45 H new ATOM 2202 N GLU B 37 -13.871 3.171 -11.490 1.00 0.98 N ATOM 2203 CA GLU B 37 -14.123 1.756 -11.327 1.00 1.02 C ATOM 2204 C GLU B 37 -13.426 1.269 -10.060 1.00 0.96 C ATOM 2205 O GLU B 37 -14.051 0.682 -9.179 1.00 1.01 O ATOM 2206 CB GLU B 37 -13.605 1.021 -12.577 1.00 1.16 C ATOM 2207 CG GLU B 37 -14.335 1.406 -13.879 1.00 1.88 C ATOM 2208 CD GLU B 37 -13.935 2.737 -14.522 1.00 3.32 C ATOM 2209 OE1 GLU B 37 -13.023 3.412 -13.988 1.00 4.64 O ATOM 2210 OE2 GLU B 37 -14.539 3.062 -15.562 1.00 4.08 O ATOM 0 H GLU B 37 -13.529 3.385 -12.427 1.00 0.98 H new ATOM 0 HA GLU B 37 -15.189 1.556 -11.223 1.00 1.02 H new ATOM 0 HB2 GLU B 37 -12.542 1.230 -12.694 1.00 1.16 H new ATOM 0 HB3 GLU B 37 -13.704 -0.053 -12.421 1.00 1.16 H new ATOM 0 HG2 GLU B 37 -14.172 0.613 -14.608 1.00 1.88 H new ATOM 0 HG3 GLU B 37 -15.405 1.435 -13.674 1.00 1.88 H new ATOM 2217 N PHE B 38 -12.126 1.554 -9.956 1.00 0.89 N ATOM 2218 CA PHE B 38 -11.345 1.290 -8.760 1.00 0.80 C ATOM 2219 C PHE B 38 -12.090 1.658 -7.466 1.00 0.80 C ATOM 2220 O PHE B 38 -12.073 0.857 -6.532 1.00 0.77 O ATOM 2221 CB PHE B 38 -9.986 1.986 -8.872 1.00 0.73 C ATOM 2222 CG PHE B 38 -9.309 2.242 -7.543 1.00 0.79 C ATOM 2223 CD1 PHE B 38 -8.532 1.239 -6.938 1.00 2.15 C ATOM 2224 CD2 PHE B 38 -9.566 3.443 -6.858 1.00 2.16 C ATOM 2225 CE1 PHE B 38 -7.962 1.465 -5.674 1.00 2.18 C ATOM 2226 CE2 PHE B 38 -9.092 3.618 -5.549 1.00 2.41 C ATOM 2227 CZ PHE B 38 -8.262 2.643 -4.969 1.00 1.38 C ATOM 0 H PHE B 38 -11.587 1.979 -10.711 1.00 0.89 H new ATOM 0 HA PHE B 38 -11.180 0.215 -8.692 1.00 0.80 H new ATOM 0 HB2 PHE B 38 -9.328 1.376 -9.491 1.00 0.73 H new ATOM 0 HB3 PHE B 38 -10.119 2.937 -9.389 1.00 0.73 H new ATOM 0 HD1 PHE B 38 -8.374 0.298 -7.443 1.00 2.15 H new ATOM 0 HD2 PHE B 38 -10.128 4.230 -7.339 1.00 2.16 H new ATOM 0 HE1 PHE B 38 -7.293 0.734 -5.244 1.00 2.18 H new ATOM 0 HE2 PHE B 38 -9.364 4.500 -4.988 1.00 2.41 H new ATOM 0 HZ PHE B 38 -7.855 2.799 -3.981 1.00 1.38 H new ATOM 2237 N LYS B 39 -12.745 2.830 -7.392 1.00 0.91 N ATOM 2238 CA LYS B 39 -13.470 3.229 -6.184 1.00 0.98 C ATOM 2239 C LYS B 39 -14.484 2.138 -5.831 1.00 1.05 C ATOM 2240 O LYS B 39 -14.555 1.683 -4.683 1.00 1.12 O ATOM 2241 CB LYS B 39 -14.135 4.620 -6.331 1.00 1.18 C ATOM 2242 CG LYS B 39 -14.405 5.305 -4.970 1.00 1.00 C ATOM 2243 CD LYS B 39 -15.668 4.834 -4.214 1.00 2.24 C ATOM 2244 CE LYS B 39 -15.611 5.254 -2.729 1.00 3.25 C ATOM 2245 NZ LYS B 39 -16.645 4.608 -1.882 1.00 4.77 N ATOM 0 H LYS B 39 -12.784 3.510 -8.151 1.00 0.91 H new ATOM 0 HA LYS B 39 -12.760 3.333 -5.364 1.00 0.98 H new ATOM 0 HB2 LYS B 39 -13.493 5.262 -6.934 1.00 1.18 H new ATOM 0 HB3 LYS B 39 -15.076 4.512 -6.871 1.00 1.18 H new ATOM 0 HG2 LYS B 39 -13.540 5.145 -4.327 1.00 1.00 H new ATOM 0 HG3 LYS B 39 -14.484 6.379 -5.136 1.00 1.00 H new ATOM 0 HD2 LYS B 39 -16.556 5.258 -4.682 1.00 2.24 H new ATOM 0 HD3 LYS B 39 -15.757 3.750 -4.286 1.00 2.24 H new ATOM 0 HE2 LYS B 39 -14.626 5.012 -2.331 1.00 3.25 H new ATOM 0 HE3 LYS B 39 -15.725 6.336 -2.663 1.00 3.25 H new ATOM 0 HZ1 LYS B 39 -16.623 5.024 -0.929 1.00 4.77 H new ATOM 0 HZ2 LYS B 39 -17.583 4.759 -2.304 1.00 4.77 H new ATOM 0 HZ3 LYS B 39 -16.454 3.588 -1.819 1.00 4.77 H new ATOM 2259 N GLU B 40 -15.268 1.713 -6.821 1.00 1.10 N ATOM 2260 CA GLU B 40 -16.258 0.670 -6.639 1.00 1.22 C ATOM 2261 C GLU B 40 -15.588 -0.641 -6.236 1.00 1.11 C ATOM 2262 O GLU B 40 -16.016 -1.260 -5.267 1.00 1.18 O ATOM 2263 CB GLU B 40 -17.123 0.521 -7.892 1.00 1.45 C ATOM 2264 CG GLU B 40 -17.827 1.844 -8.222 1.00 1.61 C ATOM 2265 CD GLU B 40 -18.978 1.630 -9.196 1.00 2.20 C ATOM 2266 OE1 GLU B 40 -18.879 0.670 -9.990 1.00 3.09 O ATOM 2267 OE2 GLU B 40 -19.948 2.411 -9.101 1.00 2.53 O ATOM 0 H GLU B 40 -15.229 2.087 -7.769 1.00 1.10 H new ATOM 0 HA GLU B 40 -16.924 0.953 -5.824 1.00 1.22 H new ATOM 0 HB2 GLU B 40 -16.503 0.213 -8.734 1.00 1.45 H new ATOM 0 HB3 GLU B 40 -17.864 -0.263 -7.738 1.00 1.45 H new ATOM 0 HG2 GLU B 40 -18.203 2.297 -7.305 1.00 1.61 H new ATOM 0 HG3 GLU B 40 -17.109 2.543 -8.652 1.00 1.61 H new ATOM 2274 N LEU B 41 -14.524 -1.051 -6.932 1.00 1.00 N ATOM 2275 CA LEU B 41 -13.788 -2.263 -6.576 1.00 0.97 C ATOM 2276 C LEU B 41 -13.370 -2.229 -5.097 1.00 0.84 C ATOM 2277 O LEU B 41 -13.734 -3.129 -4.342 1.00 0.88 O ATOM 2278 CB LEU B 41 -12.592 -2.493 -7.517 1.00 1.04 C ATOM 2279 CG LEU B 41 -12.903 -3.242 -8.831 1.00 1.12 C ATOM 2280 CD1 LEU B 41 -13.115 -4.744 -8.608 1.00 2.18 C ATOM 2281 CD2 LEU B 41 -14.098 -2.680 -9.609 1.00 2.16 C ATOM 0 H LEU B 41 -14.154 -0.560 -7.746 1.00 1.00 H new ATOM 0 HA LEU B 41 -14.452 -3.117 -6.706 1.00 0.97 H new ATOM 0 HB2 LEU B 41 -12.160 -1.524 -7.767 1.00 1.04 H new ATOM 0 HB3 LEU B 41 -11.830 -3.052 -6.974 1.00 1.04 H new ATOM 0 HG LEU B 41 -12.012 -3.083 -9.439 1.00 1.12 H new ATOM 0 HD11 LEU B 41 -13.331 -5.226 -9.561 1.00 2.18 H new ATOM 0 HD12 LEU B 41 -12.213 -5.179 -8.177 1.00 2.18 H new ATOM 0 HD13 LEU B 41 -13.952 -4.896 -7.927 1.00 2.18 H new ATOM 0 HD21 LEU B 41 -14.247 -3.263 -10.518 1.00 2.16 H new ATOM 0 HD22 LEU B 41 -14.994 -2.736 -8.990 1.00 2.16 H new ATOM 0 HD23 LEU B 41 -13.904 -1.640 -9.873 1.00 2.16 H new ATOM 2293 N VAL B 42 -12.657 -1.195 -4.632 1.00 0.77 N ATOM 2294 CA VAL B 42 -12.274 -1.153 -3.217 1.00 0.79 C ATOM 2295 C VAL B 42 -13.516 -1.147 -2.312 1.00 0.84 C ATOM 2296 O VAL B 42 -13.565 -1.885 -1.330 1.00 0.93 O ATOM 2297 CB VAL B 42 -11.273 -0.026 -2.882 1.00 0.85 C ATOM 2298 CG1 VAL B 42 -9.964 -0.229 -3.647 1.00 1.55 C ATOM 2299 CG2 VAL B 42 -11.796 1.393 -3.119 1.00 1.64 C ATOM 0 H VAL B 42 -12.343 -0.403 -5.193 1.00 0.77 H new ATOM 0 HA VAL B 42 -11.725 -2.072 -3.010 1.00 0.79 H new ATOM 0 HB VAL B 42 -11.108 -0.105 -1.808 1.00 0.85 H new ATOM 0 HG11 VAL B 42 -9.270 0.574 -3.399 1.00 1.55 H new ATOM 0 HG12 VAL B 42 -9.525 -1.187 -3.369 1.00 1.55 H new ATOM 0 HG13 VAL B 42 -10.163 -0.219 -4.719 1.00 1.55 H new ATOM 0 HG21 VAL B 42 -11.023 2.115 -2.856 1.00 1.64 H new ATOM 0 HG22 VAL B 42 -12.061 1.512 -4.170 1.00 1.64 H new ATOM 0 HG23 VAL B 42 -12.677 1.564 -2.501 1.00 1.64 H new ATOM 2309 N THR B 43 -14.540 -0.356 -2.652 1.00 0.93 N ATOM 2310 CA THR B 43 -15.794 -0.324 -1.899 1.00 1.14 C ATOM 2311 C THR B 43 -16.376 -1.739 -1.740 1.00 1.11 C ATOM 2312 O THR B 43 -16.786 -2.122 -0.646 1.00 1.23 O ATOM 2313 CB THR B 43 -16.775 0.661 -2.560 1.00 1.47 C ATOM 2314 OG1 THR B 43 -16.223 1.969 -2.524 1.00 2.18 O ATOM 2315 CG2 THR B 43 -18.160 0.678 -1.908 1.00 1.84 C ATOM 0 H THR B 43 -14.521 0.276 -3.453 1.00 0.93 H new ATOM 0 HA THR B 43 -15.604 0.039 -0.889 1.00 1.14 H new ATOM 0 HB THR B 43 -16.916 0.321 -3.586 1.00 1.47 H new ATOM 0 HG1 THR B 43 -15.474 2.025 -3.153 1.00 2.18 H new ATOM 0 HG21 THR B 43 -18.797 1.395 -2.426 1.00 1.84 H new ATOM 0 HG22 THR B 43 -18.604 -0.315 -1.972 1.00 1.84 H new ATOM 0 HG23 THR B 43 -18.066 0.967 -0.861 1.00 1.84 H new ATOM 2323 N GLN B 44 -16.400 -2.521 -2.823 1.00 1.09 N ATOM 2324 CA GLN B 44 -16.869 -3.899 -2.812 1.00 1.14 C ATOM 2325 C GLN B 44 -15.960 -4.769 -1.939 1.00 1.05 C ATOM 2326 O GLN B 44 -16.439 -5.492 -1.071 1.00 1.09 O ATOM 2327 CB GLN B 44 -16.892 -4.447 -4.243 1.00 1.25 C ATOM 2328 CG GLN B 44 -17.945 -3.792 -5.145 1.00 1.65 C ATOM 2329 CD GLN B 44 -17.622 -4.036 -6.619 1.00 2.47 C ATOM 2330 OE1 GLN B 44 -16.907 -4.973 -6.962 1.00 3.50 O ATOM 2331 NE2 GLN B 44 -18.140 -3.192 -7.509 1.00 2.96 N ATOM 0 H GLN B 44 -16.089 -2.205 -3.742 1.00 1.09 H new ATOM 0 HA GLN B 44 -17.877 -3.922 -2.397 1.00 1.14 H new ATOM 0 HB2 GLN B 44 -15.908 -4.307 -4.690 1.00 1.25 H new ATOM 0 HB3 GLN B 44 -17.076 -5.521 -4.207 1.00 1.25 H new ATOM 0 HG2 GLN B 44 -18.931 -4.194 -4.912 1.00 1.65 H new ATOM 0 HG3 GLN B 44 -17.983 -2.721 -4.949 1.00 1.65 H new ATOM 0 HE21 GLN B 44 -18.731 -2.421 -7.197 1.00 2.96 H new ATOM 0 HE22 GLN B 44 -17.946 -3.316 -8.503 1.00 2.96 H new ATOM 2340 N GLN B 45 -14.651 -4.735 -2.207 1.00 0.98 N ATOM 2341 CA GLN B 45 -13.683 -5.634 -1.593 1.00 0.96 C ATOM 2342 C GLN B 45 -13.474 -5.355 -0.104 1.00 0.88 C ATOM 2343 O GLN B 45 -13.047 -6.259 0.612 1.00 0.91 O ATOM 2344 CB GLN B 45 -12.340 -5.568 -2.324 1.00 0.99 C ATOM 2345 CG GLN B 45 -12.239 -6.496 -3.543 1.00 0.97 C ATOM 2346 CD GLN B 45 -13.150 -6.119 -4.708 1.00 1.09 C ATOM 2347 OE1 GLN B 45 -12.708 -5.480 -5.656 1.00 1.61 O ATOM 2348 NE2 GLN B 45 -14.410 -6.543 -4.680 1.00 1.85 N ATOM 0 H GLN B 45 -14.235 -4.074 -2.863 1.00 0.98 H new ATOM 0 HA GLN B 45 -14.099 -6.637 -1.682 1.00 0.96 H new ATOM 0 HB2 GLN B 45 -12.166 -4.542 -2.648 1.00 0.99 H new ATOM 0 HB3 GLN B 45 -11.545 -5.821 -1.623 1.00 0.99 H new ATOM 0 HG2 GLN B 45 -11.207 -6.502 -3.894 1.00 0.97 H new ATOM 0 HG3 GLN B 45 -12.475 -7.513 -3.229 1.00 0.97 H new ATOM 0 HE21 GLN B 45 -14.752 -7.073 -3.878 1.00 1.85 H new ATOM 0 HE22 GLN B 45 -15.034 -6.338 -5.460 1.00 1.85 H new ATOM 2357 N LEU B 46 -13.757 -4.137 0.369 1.00 0.83 N ATOM 2358 CA LEU B 46 -13.650 -3.782 1.779 1.00 0.78 C ATOM 2359 C LEU B 46 -15.046 -3.594 2.400 1.00 0.77 C ATOM 2360 O LEU B 46 -15.343 -2.491 2.867 1.00 0.81 O ATOM 2361 CB LEU B 46 -12.790 -2.507 1.916 1.00 0.79 C ATOM 2362 CG LEU B 46 -11.285 -2.706 1.641 1.00 0.94 C ATOM 2363 CD1 LEU B 46 -10.910 -2.642 0.157 1.00 1.18 C ATOM 2364 CD2 LEU B 46 -10.493 -1.627 2.384 1.00 1.42 C ATOM 0 H LEU B 46 -14.069 -3.368 -0.224 1.00 0.83 H new ATOM 0 HA LEU B 46 -13.164 -4.591 2.324 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -13.173 -1.752 1.229 1.00 0.79 H new ATOM 0 HB3 LEU B 46 -12.911 -2.111 2.924 1.00 0.79 H new ATOM 0 HG LEU B 46 -11.041 -3.709 1.991 1.00 0.94 H new ATOM 0 HD11 LEU B 46 -9.836 -2.791 0.046 1.00 1.18 H new ATOM 0 HD12 LEU B 46 -11.442 -3.422 -0.387 1.00 1.18 H new ATOM 0 HD13 LEU B 46 -11.185 -1.667 -0.246 1.00 1.18 H new ATOM 0 HD21 LEU B 46 -9.428 -1.762 2.194 1.00 1.42 H new ATOM 0 HD22 LEU B 46 -10.802 -0.642 2.034 1.00 1.42 H new ATOM 0 HD23 LEU B 46 -10.684 -1.708 3.454 1.00 1.42 H new ATOM 2376 N PRO B 47 -15.902 -4.633 2.495 1.00 0.79 N ATOM 2377 CA PRO B 47 -17.326 -4.490 2.795 1.00 0.84 C ATOM 2378 C PRO B 47 -17.607 -4.305 4.297 1.00 0.99 C ATOM 2379 O PRO B 47 -18.530 -4.920 4.844 1.00 1.25 O ATOM 2380 CB PRO B 47 -17.946 -5.787 2.261 1.00 0.98 C ATOM 2381 CG PRO B 47 -16.864 -6.810 2.604 1.00 0.98 C ATOM 2382 CD PRO B 47 -15.608 -6.034 2.222 1.00 0.84 C ATOM 0 HA PRO B 47 -17.747 -3.595 2.336 1.00 0.84 H new ATOM 0 HB2 PRO B 47 -18.895 -6.017 2.745 1.00 0.98 H new ATOM 0 HB3 PRO B 47 -18.138 -5.738 1.189 1.00 0.98 H new ATOM 0 HG2 PRO B 47 -16.875 -7.086 3.658 1.00 0.98 H new ATOM 0 HG3 PRO B 47 -16.970 -7.732 2.032 1.00 0.98 H new ATOM 0 HD2 PRO B 47 -14.749 -6.372 2.802 1.00 0.84 H new ATOM 0 HD3 PRO B 47 -15.362 -6.183 1.171 1.00 0.84 H new ATOM 2390 N HIS B 48 -16.840 -3.443 4.966 1.00 1.33 N ATOM 2391 CA HIS B 48 -17.005 -3.137 6.376 1.00 1.56 C ATOM 2392 C HIS B 48 -18.151 -2.125 6.499 1.00 1.83 C ATOM 2393 O HIS B 48 -19.251 -2.436 6.960 1.00 2.69 O ATOM 2394 CB HIS B 48 -15.698 -2.577 6.970 1.00 1.89 C ATOM 2395 CG HIS B 48 -14.433 -3.285 6.554 1.00 1.80 C ATOM 2396 ND1 HIS B 48 -13.758 -3.062 5.375 1.00 3.44 N ATOM 2397 CD2 HIS B 48 -13.603 -4.005 7.375 1.00 2.27 C ATOM 2398 CE1 HIS B 48 -12.549 -3.640 5.482 1.00 4.42 C ATOM 2399 NE2 HIS B 48 -12.401 -4.202 6.690 1.00 3.70 N ATOM 0 H HIS B 48 -16.074 -2.931 4.529 1.00 1.33 H new ATOM 0 HA HIS B 48 -17.244 -4.040 6.938 1.00 1.56 H new ATOM 0 HB2 HIS B 48 -15.614 -1.527 6.689 1.00 1.89 H new ATOM 0 HB3 HIS B 48 -15.771 -2.611 8.057 1.00 1.89 H new ATOM 0 HD1 HIS B 48 -14.111 -2.551 4.566 1.00 3.44 H new ATOM 0 HD2 HIS B 48 -13.836 -4.356 8.370 1.00 2.27 H new ATOM 0 HE1 HIS B 48 -11.801 -3.650 4.703 1.00 4.42 H new ATOM 2407 N LEU B 49 -17.911 -0.883 6.064 1.00 1.72 N ATOM 2408 CA LEU B 49 -18.831 0.226 6.278 1.00 1.85 C ATOM 2409 C LEU B 49 -18.628 1.324 5.237 1.00 1.69 C ATOM 2410 O LEU B 49 -19.613 1.760 4.654 1.00 1.92 O ATOM 2411 CB LEU B 49 -18.711 0.728 7.731 1.00 1.95 C ATOM 2412 CG LEU B 49 -19.885 1.610 8.197 1.00 2.47 C ATOM 2413 CD1 LEU B 49 -20.042 1.485 9.718 1.00 2.31 C ATOM 2414 CD2 LEU B 49 -19.677 3.091 7.863 1.00 3.75 C ATOM 0 H LEU B 49 -17.068 -0.624 5.552 1.00 1.72 H new ATOM 0 HA LEU B 49 -19.856 -0.119 6.140 1.00 1.85 H new ATOM 0 HB2 LEU B 49 -18.633 -0.133 8.395 1.00 1.95 H new ATOM 0 HB3 LEU B 49 -17.785 1.294 7.832 1.00 1.95 H new ATOM 0 HG LEU B 49 -20.774 1.261 7.671 1.00 2.47 H new ATOM 0 HD11 LEU B 49 -20.872 2.108 10.051 1.00 2.31 H new ATOM 0 HD12 LEU B 49 -20.241 0.446 9.979 1.00 2.31 H new ATOM 0 HD13 LEU B 49 -19.124 1.812 10.207 1.00 2.31 H new ATOM 0 HD21 LEU B 49 -20.534 3.667 8.213 1.00 3.75 H new ATOM 0 HD22 LEU B 49 -18.773 3.451 8.353 1.00 3.75 H new ATOM 0 HD23 LEU B 49 -19.577 3.210 6.784 1.00 3.75 H new ATOM 2426 N LEU B 50 -17.379 1.762 5.016 1.00 1.46 N ATOM 2427 CA LEU B 50 -17.057 2.909 4.168 1.00 1.53 C ATOM 2428 C LEU B 50 -17.562 4.156 4.888 1.00 1.45 C ATOM 2429 O LEU B 50 -18.512 4.825 4.494 1.00 1.67 O ATOM 2430 CB LEU B 50 -17.530 2.773 2.706 1.00 2.03 C ATOM 2431 CG LEU B 50 -16.711 1.796 1.843 1.00 2.16 C ATOM 2432 CD1 LEU B 50 -15.233 2.187 1.713 1.00 3.77 C ATOM 2433 CD2 LEU B 50 -16.839 0.337 2.296 1.00 2.05 C ATOM 0 H LEU B 50 -16.557 1.321 5.429 1.00 1.46 H new ATOM 0 HA LEU B 50 -15.977 2.979 4.037 1.00 1.53 H new ATOM 0 HB2 LEU B 50 -18.571 2.449 2.706 1.00 2.03 H new ATOM 0 HB3 LEU B 50 -17.503 3.757 2.238 1.00 2.03 H new ATOM 0 HG LEU B 50 -17.158 1.876 0.852 1.00 2.16 H new ATOM 0 HD11 LEU B 50 -14.716 1.455 1.092 1.00 3.77 H new ATOM 0 HD12 LEU B 50 -15.156 3.172 1.253 1.00 3.77 H new ATOM 0 HD13 LEU B 50 -14.775 2.212 2.702 1.00 3.77 H new ATOM 0 HD21 LEU B 50 -16.238 -0.300 1.647 1.00 2.05 H new ATOM 0 HD22 LEU B 50 -16.487 0.243 3.323 1.00 2.05 H new ATOM 0 HD23 LEU B 50 -17.883 0.029 2.240 1.00 2.05 H new ATOM 2445 N LYS B 51 -16.909 4.400 6.025 1.00 1.20 N ATOM 2446 CA LYS B 51 -17.173 5.509 6.923 1.00 1.23 C ATOM 2447 C LYS B 51 -16.848 6.848 6.270 1.00 1.28 C ATOM 2448 O LYS B 51 -17.307 7.884 6.754 1.00 1.63 O ATOM 2449 CB LYS B 51 -16.348 5.305 8.192 1.00 1.26 C ATOM 2450 CG LYS B 51 -14.843 5.439 7.923 1.00 1.34 C ATOM 2451 CD LYS B 51 -14.297 6.882 7.922 1.00 1.68 C ATOM 2452 CE LYS B 51 -14.667 7.707 9.155 1.00 2.00 C ATOM 2453 NZ LYS B 51 -15.807 8.619 8.876 1.00 3.13 N ATOM 0 H LYS B 51 -16.151 3.801 6.353 1.00 1.20 H new ATOM 0 HA LYS B 51 -18.235 5.531 7.168 1.00 1.23 H new ATOM 0 HB2 LYS B 51 -16.649 6.036 8.942 1.00 1.26 H new ATOM 0 HB3 LYS B 51 -16.557 4.319 8.606 1.00 1.26 H new ATOM 0 HG2 LYS B 51 -14.304 4.865 8.677 1.00 1.34 H new ATOM 0 HG3 LYS B 51 -14.622 4.984 6.957 1.00 1.34 H new ATOM 0 HD2 LYS B 51 -13.211 6.845 7.839 1.00 1.68 H new ATOM 0 HD3 LYS B 51 -14.667 7.395 7.034 1.00 1.68 H new ATOM 0 HE2 LYS B 51 -14.926 7.039 9.977 1.00 2.00 H new ATOM 0 HE3 LYS B 51 -13.804 8.289 9.477 1.00 2.00 H new ATOM 0 HZ1 LYS B 51 -15.525 9.599 9.078 1.00 3.13 H new ATOM 0 HZ2 LYS B 51 -16.081 8.537 7.876 1.00 3.13 H new ATOM 0 HZ3 LYS B 51 -16.614 8.360 9.478 1.00 3.13 H new ATOM 2467 N ASP B 52 -15.920 6.814 5.310 1.00 1.17 N ATOM 2468 CA ASP B 52 -15.646 7.807 4.288 1.00 1.29 C ATOM 2469 C ASP B 52 -15.533 9.227 4.857 1.00 1.21 C ATOM 2470 O ASP B 52 -16.474 10.014 4.838 1.00 1.63 O ATOM 2471 CB ASP B 52 -16.642 7.612 3.137 1.00 1.98 C ATOM 2472 CG ASP B 52 -16.355 6.320 2.341 1.00 2.31 C ATOM 2473 OD1 ASP B 52 -15.660 5.447 2.914 1.00 2.51 O ATOM 2474 OD2 ASP B 52 -16.797 6.210 1.170 1.00 3.47 O ATOM 0 H ASP B 52 -15.289 6.016 5.228 1.00 1.17 H new ATOM 0 HA ASP B 52 -14.652 7.658 3.865 1.00 1.29 H new ATOM 0 HB2 ASP B 52 -17.656 7.575 3.536 1.00 1.98 H new ATOM 0 HB3 ASP B 52 -16.595 8.470 2.466 1.00 1.98 H new ATOM 2479 N VAL B 53 -14.344 9.532 5.391 1.00 1.12 N ATOM 2480 CA VAL B 53 -13.992 10.827 5.965 1.00 1.33 C ATOM 2481 C VAL B 53 -13.537 11.779 4.850 1.00 1.67 C ATOM 2482 O VAL B 53 -13.445 11.375 3.697 1.00 3.07 O ATOM 2483 CB VAL B 53 -12.952 10.616 7.091 1.00 2.89 C ATOM 2484 CG1 VAL B 53 -11.508 10.474 6.589 1.00 4.82 C ATOM 2485 CG2 VAL B 53 -13.007 11.701 8.175 1.00 3.24 C ATOM 0 H VAL B 53 -13.579 8.859 5.435 1.00 1.12 H new ATOM 0 HA VAL B 53 -14.854 11.305 6.430 1.00 1.33 H new ATOM 0 HB VAL B 53 -13.247 9.664 7.533 1.00 2.89 H new ATOM 0 HG11 VAL B 53 -10.840 10.329 7.438 1.00 4.82 H new ATOM 0 HG12 VAL B 53 -11.438 9.615 5.922 1.00 4.82 H new ATOM 0 HG13 VAL B 53 -11.220 11.377 6.050 1.00 4.82 H new ATOM 0 HG21 VAL B 53 -12.253 11.495 8.935 1.00 3.24 H new ATOM 0 HG22 VAL B 53 -12.812 12.675 7.725 1.00 3.24 H new ATOM 0 HG23 VAL B 53 -13.995 11.705 8.636 1.00 3.24 H new ATOM 2495 N GLY B 54 -13.221 13.037 5.168 1.00 1.46 N ATOM 2496 CA GLY B 54 -12.788 14.045 4.198 1.00 2.38 C ATOM 2497 C GLY B 54 -11.628 13.634 3.271 1.00 1.87 C ATOM 2498 O GLY B 54 -11.401 14.273 2.247 1.00 2.11 O ATOM 0 H GLY B 54 -13.260 13.389 6.124 1.00 1.46 H new ATOM 0 HA2 GLY B 54 -13.643 14.316 3.579 1.00 2.38 H new ATOM 0 HA3 GLY B 54 -12.492 14.941 4.743 1.00 2.38 H new ATOM 2502 N SER B 55 -10.880 12.577 3.603 1.00 1.43 N ATOM 2503 CA SER B 55 -9.855 12.055 2.706 1.00 1.11 C ATOM 2504 C SER B 55 -10.486 11.173 1.629 1.00 0.99 C ATOM 2505 O SER B 55 -10.002 11.160 0.500 1.00 1.15 O ATOM 2506 CB SER B 55 -8.746 11.355 3.491 1.00 1.25 C ATOM 2507 OG SER B 55 -7.906 12.336 4.077 1.00 1.89 O ATOM 0 H SER B 55 -10.968 12.071 4.484 1.00 1.43 H new ATOM 0 HA SER B 55 -9.377 12.885 2.186 1.00 1.11 H new ATOM 0 HB2 SER B 55 -9.176 10.717 4.263 1.00 1.25 H new ATOM 0 HB3 SER B 55 -8.167 10.709 2.831 1.00 1.25 H new ATOM 0 HG SER B 55 -8.432 13.137 4.282 1.00 1.89 H new ATOM 2513 N LEU B 56 -11.615 10.520 1.927 1.00 0.95 N ATOM 2514 CA LEU B 56 -12.472 10.005 0.877 1.00 1.14 C ATOM 2515 C LEU B 56 -12.838 11.172 -0.021 1.00 1.11 C ATOM 2516 O LEU B 56 -12.615 11.074 -1.211 1.00 1.13 O ATOM 2517 CB LEU B 56 -13.746 9.353 1.421 1.00 1.47 C ATOM 2518 CG LEU B 56 -14.449 8.422 0.415 1.00 2.72 C ATOM 2519 CD1 LEU B 56 -14.729 8.997 -0.975 1.00 3.50 C ATOM 2520 CD2 LEU B 56 -13.756 7.061 0.296 1.00 3.87 C ATOM 0 H LEU B 56 -11.945 10.342 2.876 1.00 0.95 H new ATOM 0 HA LEU B 56 -11.935 9.227 0.334 1.00 1.14 H new ATOM 0 HB2 LEU B 56 -13.497 8.783 2.316 1.00 1.47 H new ATOM 0 HB3 LEU B 56 -14.442 10.135 1.725 1.00 1.47 H new ATOM 0 HG LEU B 56 -15.433 8.298 0.867 1.00 2.72 H new ATOM 0 HD11 LEU B 56 -15.226 8.244 -1.587 1.00 3.50 H new ATOM 0 HD12 LEU B 56 -15.372 9.873 -0.884 1.00 3.50 H new ATOM 0 HD13 LEU B 56 -13.789 9.285 -1.446 1.00 3.50 H new ATOM 0 HD21 LEU B 56 -14.290 6.442 -0.425 1.00 3.87 H new ATOM 0 HD22 LEU B 56 -12.729 7.204 -0.039 1.00 3.87 H new ATOM 0 HD23 LEU B 56 -13.755 6.567 1.268 1.00 3.87 H new ATOM 2532 N ASP B 57 -13.372 12.272 0.522 1.00 1.27 N ATOM 2533 CA ASP B 57 -13.744 13.420 -0.304 1.00 1.52 C ATOM 2534 C ASP B 57 -12.582 13.837 -1.219 1.00 1.34 C ATOM 2535 O ASP B 57 -12.729 13.819 -2.439 1.00 1.45 O ATOM 2536 CB ASP B 57 -14.270 14.575 0.554 1.00 1.91 C ATOM 2537 CG ASP B 57 -14.351 15.856 -0.254 1.00 2.51 C ATOM 2538 OD1 ASP B 57 -15.113 15.909 -1.244 1.00 3.75 O ATOM 2539 OD2 ASP B 57 -13.597 16.802 0.061 1.00 2.78 O ATOM 0 H ASP B 57 -13.554 12.389 1.519 1.00 1.27 H new ATOM 0 HA ASP B 57 -14.566 13.124 -0.956 1.00 1.52 H new ATOM 0 HB2 ASP B 57 -15.256 14.324 0.944 1.00 1.91 H new ATOM 0 HB3 ASP B 57 -13.615 14.723 1.413 1.00 1.91 H new ATOM 2544 N GLU B 58 -11.409 14.138 -0.653 1.00 1.22 N ATOM 2545 CA GLU B 58 -10.171 14.351 -1.410 1.00 1.22 C ATOM 2546 C GLU B 58 -10.006 13.316 -2.539 1.00 0.97 C ATOM 2547 O GLU B 58 -9.789 13.649 -3.705 1.00 1.10 O ATOM 2548 CB GLU B 58 -8.971 14.340 -0.449 1.00 1.32 C ATOM 2549 CG GLU B 58 -7.705 14.937 -1.080 1.00 2.14 C ATOM 2550 CD GLU B 58 -7.821 16.444 -1.270 1.00 3.49 C ATOM 2551 OE1 GLU B 58 -7.473 17.159 -0.307 1.00 3.74 O ATOM 2552 OE2 GLU B 58 -8.267 16.850 -2.366 1.00 5.01 O ATOM 0 H GLU B 58 -11.291 14.242 0.355 1.00 1.22 H new ATOM 0 HA GLU B 58 -10.223 15.327 -1.893 1.00 1.22 H new ATOM 0 HB2 GLU B 58 -9.225 14.902 0.450 1.00 1.32 H new ATOM 0 HB3 GLU B 58 -8.769 13.315 -0.137 1.00 1.32 H new ATOM 0 HG2 GLU B 58 -6.845 14.716 -0.447 1.00 2.14 H new ATOM 0 HG3 GLU B 58 -7.522 14.463 -2.044 1.00 2.14 H new ATOM 2559 N LYS B 59 -10.150 12.036 -2.206 1.00 0.76 N ATOM 2560 CA LYS B 59 -10.053 10.951 -3.167 1.00 0.70 C ATOM 2561 C LYS B 59 -11.178 11.038 -4.209 1.00 0.80 C ATOM 2562 O LYS B 59 -10.962 10.773 -5.385 1.00 0.98 O ATOM 2563 CB LYS B 59 -10.033 9.615 -2.412 1.00 0.77 C ATOM 2564 CG LYS B 59 -9.435 8.478 -3.244 1.00 0.95 C ATOM 2565 CD LYS B 59 -8.917 7.360 -2.328 1.00 0.95 C ATOM 2566 CE LYS B 59 -9.988 6.503 -1.661 1.00 1.12 C ATOM 2567 NZ LYS B 59 -9.504 6.004 -0.359 1.00 2.36 N ATOM 0 H LYS B 59 -10.339 11.725 -1.253 1.00 0.76 H new ATOM 0 HA LYS B 59 -9.123 11.030 -3.729 1.00 0.70 H new ATOM 0 HB2 LYS B 59 -9.458 9.730 -1.493 1.00 0.77 H new ATOM 0 HB3 LYS B 59 -11.050 9.351 -2.121 1.00 0.77 H new ATOM 0 HG2 LYS B 59 -10.189 8.080 -3.923 1.00 0.95 H new ATOM 0 HG3 LYS B 59 -8.620 8.859 -3.860 1.00 0.95 H new ATOM 0 HD2 LYS B 59 -8.268 6.708 -2.912 1.00 0.95 H new ATOM 0 HD3 LYS B 59 -8.300 7.809 -1.550 1.00 0.95 H new ATOM 0 HE2 LYS B 59 -10.896 7.088 -1.519 1.00 1.12 H new ATOM 0 HE3 LYS B 59 -10.247 5.664 -2.307 1.00 1.12 H new ATOM 0 HZ1 LYS B 59 -10.055 5.167 -0.081 1.00 2.36 H new ATOM 0 HZ2 LYS B 59 -8.499 5.747 -0.438 1.00 2.36 H new ATOM 0 HZ3 LYS B 59 -9.616 6.746 0.361 1.00 2.36 H new ATOM 2581 N MET B 60 -12.379 11.429 -3.795 1.00 0.79 N ATOM 2582 CA MET B 60 -13.557 11.516 -4.628 1.00 0.94 C ATOM 2583 C MET B 60 -13.329 12.582 -5.685 1.00 0.99 C ATOM 2584 O MET B 60 -13.533 12.293 -6.859 1.00 1.04 O ATOM 2585 CB MET B 60 -14.801 11.787 -3.772 1.00 1.11 C ATOM 2586 CG MET B 60 -16.099 11.522 -4.542 1.00 1.51 C ATOM 2587 SD MET B 60 -17.589 11.694 -3.529 1.00 2.74 S ATOM 2588 CE MET B 60 -18.849 11.249 -4.742 1.00 3.73 C ATOM 0 H MET B 60 -12.558 11.704 -2.829 1.00 0.79 H new ATOM 0 HA MET B 60 -13.736 10.568 -5.135 1.00 0.94 H new ATOM 0 HB2 MET B 60 -14.773 11.158 -2.883 1.00 1.11 H new ATOM 0 HB3 MET B 60 -14.787 12.822 -3.431 1.00 1.11 H new ATOM 0 HG2 MET B 60 -16.160 12.212 -5.384 1.00 1.51 H new ATOM 0 HG3 MET B 60 -16.066 10.515 -4.957 1.00 1.51 H new ATOM 0 HE1 MET B 60 -19.835 11.304 -4.280 1.00 3.73 H new ATOM 0 HE2 MET B 60 -18.804 11.940 -5.583 1.00 3.73 H new ATOM 0 HE3 MET B 60 -18.670 10.234 -5.097 1.00 3.73 H new ATOM 2598 N LYS B 61 -12.857 13.780 -5.307 1.00 1.03 N ATOM 2599 CA LYS B 61 -12.492 14.745 -6.345 1.00 1.21 C ATOM 2600 C LYS B 61 -11.324 14.208 -7.175 1.00 1.11 C ATOM 2601 O LYS B 61 -11.364 14.287 -8.401 1.00 1.23 O ATOM 2602 CB LYS B 61 -12.314 16.207 -5.888 1.00 1.53 C ATOM 2603 CG LYS B 61 -11.551 16.441 -4.583 1.00 1.46 C ATOM 2604 CD LYS B 61 -12.525 16.569 -3.406 1.00 2.28 C ATOM 2605 CE LYS B 61 -13.069 17.990 -3.247 1.00 2.79 C ATOM 2606 NZ LYS B 61 -14.019 18.071 -2.123 1.00 3.59 N ATOM 0 H LYS B 61 -12.725 14.089 -4.344 1.00 1.03 H new ATOM 0 HA LYS B 61 -13.367 14.832 -6.989 1.00 1.21 H new ATOM 0 HB2 LYS B 61 -11.801 16.749 -6.682 1.00 1.53 H new ATOM 0 HB3 LYS B 61 -13.304 16.652 -5.786 1.00 1.53 H new ATOM 0 HG2 LYS B 61 -10.862 15.615 -4.405 1.00 1.46 H new ATOM 0 HG3 LYS B 61 -10.949 17.346 -4.664 1.00 1.46 H new ATOM 0 HD2 LYS B 61 -13.357 15.879 -3.550 1.00 2.28 H new ATOM 0 HD3 LYS B 61 -12.020 16.272 -2.487 1.00 2.28 H new ATOM 0 HE2 LYS B 61 -12.244 18.682 -3.080 1.00 2.79 H new ATOM 0 HE3 LYS B 61 -13.563 18.299 -4.168 1.00 2.79 H new ATOM 0 HZ1 LYS B 61 -14.499 18.993 -2.140 1.00 3.59 H new ATOM 0 HZ2 LYS B 61 -14.724 17.312 -2.209 1.00 3.59 H new ATOM 0 HZ3 LYS B 61 -13.505 17.965 -1.225 1.00 3.59 H new ATOM 2620 N SER B 62 -10.313 13.608 -6.534 1.00 1.00 N ATOM 2621 CA SER B 62 -9.210 12.980 -7.267 1.00 1.02 C ATOM 2622 C SER B 62 -9.725 12.038 -8.374 1.00 1.05 C ATOM 2623 O SER B 62 -9.157 12.019 -9.462 1.00 1.21 O ATOM 2624 CB SER B 62 -8.233 12.265 -6.317 1.00 1.01 C ATOM 2625 OG SER B 62 -7.005 11.964 -6.963 1.00 1.60 O ATOM 0 H SER B 62 -10.237 13.545 -5.519 1.00 1.00 H new ATOM 0 HA SER B 62 -8.653 13.777 -7.759 1.00 1.02 H new ATOM 0 HB2 SER B 62 -8.043 12.894 -5.448 1.00 1.01 H new ATOM 0 HB3 SER B 62 -8.688 11.345 -5.951 1.00 1.01 H new ATOM 0 HG SER B 62 -6.490 12.788 -7.087 1.00 1.60 H new ATOM 2631 N LEU B 63 -10.781 11.260 -8.106 1.00 0.98 N ATOM 2632 CA LEU B 63 -11.429 10.422 -9.112 1.00 1.06 C ATOM 2633 C LEU B 63 -12.252 11.273 -10.093 1.00 1.17 C ATOM 2634 O LEU B 63 -12.170 11.078 -11.304 1.00 1.32 O ATOM 2635 CB LEU B 63 -12.289 9.323 -8.445 1.00 1.08 C ATOM 2636 CG LEU B 63 -11.556 8.114 -7.823 1.00 1.13 C ATOM 2637 CD1 LEU B 63 -10.083 8.304 -7.420 1.00 1.17 C ATOM 2638 CD2 LEU B 63 -12.323 7.674 -6.574 1.00 1.41 C ATOM 0 H LEU B 63 -11.208 11.197 -7.182 1.00 0.98 H new ATOM 0 HA LEU B 63 -10.652 9.922 -9.690 1.00 1.06 H new ATOM 0 HB2 LEU B 63 -12.885 9.793 -7.662 1.00 1.08 H new ATOM 0 HB3 LEU B 63 -12.986 8.944 -9.192 1.00 1.08 H new ATOM 0 HG LEU B 63 -11.534 7.378 -8.627 1.00 1.13 H new ATOM 0 HD11 LEU B 63 -9.698 7.375 -6.998 1.00 1.17 H new ATOM 0 HD12 LEU B 63 -9.497 8.574 -8.299 1.00 1.17 H new ATOM 0 HD13 LEU B 63 -10.009 9.098 -6.677 1.00 1.17 H new ATOM 0 HD21 LEU B 63 -11.820 6.820 -6.120 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -12.358 8.497 -5.860 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -13.339 7.391 -6.851 1.00 1.41 H new ATOM 2650 N ASP B 64 -13.071 12.197 -9.590 1.00 1.15 N ATOM 2651 CA ASP B 64 -14.017 12.983 -10.378 1.00 1.32 C ATOM 2652 C ASP B 64 -13.334 13.800 -11.480 1.00 1.27 C ATOM 2653 O ASP B 64 -13.836 13.864 -12.600 1.00 1.32 O ATOM 2654 CB ASP B 64 -14.806 13.906 -9.448 1.00 1.43 C ATOM 2655 CG ASP B 64 -15.912 14.630 -10.196 1.00 1.70 C ATOM 2656 OD1 ASP B 64 -16.927 13.960 -10.486 1.00 2.60 O ATOM 2657 OD2 ASP B 64 -15.729 15.842 -10.439 1.00 1.52 O ATOM 0 H ASP B 64 -13.094 12.425 -8.596 1.00 1.15 H new ATOM 0 HA ASP B 64 -14.690 12.286 -10.877 1.00 1.32 H new ATOM 0 HB2 ASP B 64 -15.236 13.323 -8.633 1.00 1.43 H new ATOM 0 HB3 ASP B 64 -14.132 14.634 -8.997 1.00 1.43 H new ATOM 2662 N VAL B 65 -12.185 14.408 -11.163 1.00 1.18 N ATOM 2663 CA VAL B 65 -11.466 15.317 -12.058 1.00 1.15 C ATOM 2664 C VAL B 65 -11.273 14.710 -13.445 1.00 1.14 C ATOM 2665 O VAL B 65 -11.706 15.276 -14.445 1.00 1.25 O ATOM 2666 CB VAL B 65 -10.110 15.692 -11.434 1.00 1.11 C ATOM 2667 CG1 VAL B 65 -9.157 16.398 -12.409 1.00 1.55 C ATOM 2668 CG2 VAL B 65 -10.345 16.641 -10.265 1.00 1.56 C ATOM 0 H VAL B 65 -11.723 14.279 -10.263 1.00 1.18 H new ATOM 0 HA VAL B 65 -12.067 16.218 -12.183 1.00 1.15 H new ATOM 0 HB VAL B 65 -9.646 14.754 -11.128 1.00 1.11 H new ATOM 0 HG11 VAL B 65 -8.222 16.632 -11.899 1.00 1.55 H new ATOM 0 HG12 VAL B 65 -8.954 15.744 -13.257 1.00 1.55 H new ATOM 0 HG13 VAL B 65 -9.617 17.320 -12.764 1.00 1.55 H new ATOM 0 HG21 VAL B 65 -9.388 16.911 -9.818 1.00 1.56 H new ATOM 0 HG22 VAL B 65 -10.846 17.541 -10.622 1.00 1.56 H new ATOM 0 HG23 VAL B 65 -10.969 16.151 -9.518 1.00 1.56 H new ATOM 2678 N ASN B 66 -10.557 13.585 -13.495 1.00 1.04 N ATOM 2679 CA ASN B 66 -10.240 12.919 -14.762 1.00 1.06 C ATOM 2680 C ASN B 66 -10.105 11.408 -14.579 1.00 1.11 C ATOM 2681 O ASN B 66 -9.057 10.825 -14.868 1.00 1.12 O ATOM 2682 CB ASN B 66 -8.974 13.535 -15.388 1.00 1.03 C ATOM 2683 CG ASN B 66 -8.941 13.331 -16.900 1.00 2.09 C ATOM 2684 OD1 ASN B 66 -9.082 14.283 -17.663 1.00 2.51 O ATOM 2685 ND2 ASN B 66 -8.748 12.095 -17.332 1.00 3.70 N ATOM 0 H ASN B 66 -10.184 13.114 -12.671 1.00 1.04 H new ATOM 0 HA ASN B 66 -11.068 13.080 -15.452 1.00 1.06 H new ATOM 0 HB2 ASN B 66 -8.937 14.601 -15.163 1.00 1.03 H new ATOM 0 HB3 ASN B 66 -8.089 13.084 -14.940 1.00 1.03 H new ATOM 0 HD21 ASN B 66 -8.712 11.905 -18.333 1.00 3.70 H new ATOM 0 HD22 ASN B 66 -8.635 11.333 -16.664 1.00 3.70 H new ATOM 2692 N GLN B 67 -11.171 10.761 -14.106 1.00 1.20 N ATOM 2693 CA GLN B 67 -11.192 9.326 -13.841 1.00 1.24 C ATOM 2694 C GLN B 67 -10.669 8.513 -15.023 1.00 1.41 C ATOM 2695 O GLN B 67 -9.976 7.510 -14.862 1.00 1.58 O ATOM 2696 CB GLN B 67 -12.586 8.795 -13.464 1.00 1.46 C ATOM 2697 CG GLN B 67 -13.745 9.081 -14.444 1.00 1.84 C ATOM 2698 CD GLN B 67 -14.250 10.522 -14.473 1.00 1.86 C ATOM 2699 OE1 GLN B 67 -14.015 11.284 -13.412 1.00 3.29 O flip ATOM 2700 NE2 GLN B 67 -14.865 10.943 -15.445 1.00 2.60 N flip ATOM 0 H GLN B 67 -12.054 11.226 -13.894 1.00 1.20 H new ATOM 0 HA GLN B 67 -10.530 9.199 -12.984 1.00 1.24 H new ATOM 0 HB2 GLN B 67 -12.512 7.715 -13.336 1.00 1.46 H new ATOM 0 HB3 GLN B 67 -12.854 9.213 -12.494 1.00 1.46 H new ATOM 0 HG2 GLN B 67 -13.422 8.809 -15.449 1.00 1.84 H new ATOM 0 HG3 GLN B 67 -14.580 8.428 -14.190 1.00 1.84 H new ATOM 0 HE21 GLN B 67 -15.031 10.334 -16.246 1.00 2.60 H new ATOM 0 HE22 GLN B 67 -15.211 11.902 -15.453 1.00 2.60 H new ATOM 2709 N ASP B 68 -11.011 8.970 -16.222 1.00 1.50 N ATOM 2710 CA ASP B 68 -10.655 8.354 -17.486 1.00 1.69 C ATOM 2711 C ASP B 68 -9.137 8.349 -17.747 1.00 1.72 C ATOM 2712 O ASP B 68 -8.691 7.751 -18.722 1.00 2.13 O ATOM 2713 CB ASP B 68 -11.385 9.115 -18.600 1.00 1.63 C ATOM 2714 CG ASP B 68 -11.066 10.598 -18.506 1.00 2.45 C ATOM 2715 OD1 ASP B 68 -11.595 11.209 -17.550 1.00 3.42 O ATOM 2716 OD2 ASP B 68 -10.218 11.066 -19.299 1.00 3.65 O ATOM 0 H ASP B 68 -11.568 9.816 -16.340 1.00 1.50 H new ATOM 0 HA ASP B 68 -10.957 7.307 -17.458 1.00 1.69 H new ATOM 0 HB2 ASP B 68 -11.083 8.730 -19.574 1.00 1.63 H new ATOM 0 HB3 ASP B 68 -12.460 8.959 -18.515 1.00 1.63 H new ATOM 2721 N SER B 69 -8.320 8.951 -16.870 1.00 1.48 N ATOM 2722 CA SER B 69 -6.860 8.991 -16.983 1.00 1.62 C ATOM 2723 C SER B 69 -6.190 7.611 -16.855 1.00 1.87 C ATOM 2724 O SER B 69 -4.959 7.561 -16.871 1.00 3.55 O ATOM 2725 CB SER B 69 -6.303 9.919 -15.888 1.00 1.49 C ATOM 2726 OG SER B 69 -4.902 10.101 -16.008 1.00 2.32 O ATOM 0 H SER B 69 -8.668 9.435 -16.042 1.00 1.48 H new ATOM 0 HA SER B 69 -6.631 9.359 -17.983 1.00 1.62 H new ATOM 0 HB2 SER B 69 -6.801 10.887 -15.946 1.00 1.49 H new ATOM 0 HB3 SER B 69 -6.532 9.501 -14.908 1.00 1.49 H new ATOM 0 HG SER B 69 -4.487 9.262 -16.297 1.00 2.32 H new ATOM 2732 N GLU B 70 -6.966 6.541 -16.643 1.00 0.83 N ATOM 2733 CA GLU B 70 -6.527 5.234 -16.157 1.00 0.79 C ATOM 2734 C GLU B 70 -6.023 5.347 -14.729 1.00 0.83 C ATOM 2735 O GLU B 70 -5.623 6.418 -14.268 1.00 1.10 O ATOM 2736 CB GLU B 70 -5.445 4.558 -17.016 1.00 0.93 C ATOM 2737 CG GLU B 70 -6.025 3.878 -18.252 1.00 1.46 C ATOM 2738 CD GLU B 70 -4.924 3.287 -19.124 1.00 2.01 C ATOM 2739 OE1 GLU B 70 -3.757 3.709 -18.957 1.00 3.16 O ATOM 2740 OE2 GLU B 70 -5.228 2.368 -19.911 1.00 2.44 O ATOM 0 H GLU B 70 -7.971 6.569 -16.816 1.00 0.83 H new ATOM 0 HA GLU B 70 -7.410 4.598 -16.216 1.00 0.79 H new ATOM 0 HB2 GLU B 70 -4.712 5.303 -17.325 1.00 0.93 H new ATOM 0 HB3 GLU B 70 -4.915 3.820 -16.414 1.00 0.93 H new ATOM 0 HG2 GLU B 70 -6.713 3.090 -17.947 1.00 1.46 H new ATOM 0 HG3 GLU B 70 -6.602 4.600 -18.830 1.00 1.46 H new ATOM 2747 N LEU B 71 -6.030 4.215 -14.029 1.00 0.93 N ATOM 2748 CA LEU B 71 -5.384 4.136 -12.735 1.00 1.09 C ATOM 2749 C LEU B 71 -3.959 3.642 -12.942 1.00 0.79 C ATOM 2750 O LEU B 71 -3.693 2.799 -13.797 1.00 0.79 O ATOM 2751 CB LEU B 71 -6.200 3.282 -11.766 1.00 1.50 C ATOM 2752 CG LEU B 71 -5.698 3.357 -10.318 1.00 1.45 C ATOM 2753 CD1 LEU B 71 -5.627 4.779 -9.747 1.00 1.58 C ATOM 2754 CD2 LEU B 71 -6.690 2.582 -9.454 1.00 2.55 C ATOM 0 H LEU B 71 -6.474 3.350 -14.338 1.00 0.93 H new ATOM 0 HA LEU B 71 -5.332 5.119 -12.267 1.00 1.09 H new ATOM 0 HB2 LEU B 71 -7.241 3.602 -11.799 1.00 1.50 H new ATOM 0 HB3 LEU B 71 -6.175 2.244 -12.098 1.00 1.50 H new ATOM 0 HG LEU B 71 -4.685 2.954 -10.312 1.00 1.45 H new ATOM 0 HD11 LEU B 71 -5.263 4.741 -8.720 1.00 1.58 H new ATOM 0 HD12 LEU B 71 -4.947 5.380 -10.351 1.00 1.58 H new ATOM 0 HD13 LEU B 71 -6.620 5.228 -9.763 1.00 1.58 H new ATOM 0 HD21 LEU B 71 -6.367 2.612 -8.413 1.00 2.55 H new ATOM 0 HD22 LEU B 71 -7.678 3.034 -9.540 1.00 2.55 H new ATOM 0 HD23 LEU B 71 -6.734 1.546 -9.791 1.00 2.55 H new ATOM 2766 N LYS B 72 -3.041 4.200 -12.157 1.00 0.79 N ATOM 2767 CA LYS B 72 -1.617 3.964 -12.226 1.00 0.93 C ATOM 2768 C LYS B 72 -1.249 3.360 -10.876 1.00 0.73 C ATOM 2769 O LYS B 72 -1.741 3.845 -9.858 1.00 0.60 O ATOM 2770 CB LYS B 72 -0.903 5.305 -12.485 1.00 1.60 C ATOM 2771 CG LYS B 72 -1.293 5.923 -13.843 1.00 2.00 C ATOM 2772 CD LYS B 72 -2.586 6.770 -13.856 1.00 3.15 C ATOM 2773 CE LYS B 72 -2.378 8.292 -13.907 1.00 4.39 C ATOM 2774 NZ LYS B 72 -1.811 8.850 -12.661 1.00 5.63 N ATOM 0 H LYS B 72 -3.292 4.861 -11.421 1.00 0.79 H new ATOM 0 HA LYS B 72 -1.321 3.293 -13.032 1.00 0.93 H new ATOM 0 HB2 LYS B 72 -1.148 6.005 -11.686 1.00 1.60 H new ATOM 0 HB3 LYS B 72 0.176 5.152 -12.455 1.00 1.60 H new ATOM 0 HG2 LYS B 72 -0.469 6.549 -14.185 1.00 2.00 H new ATOM 0 HG3 LYS B 72 -1.403 5.117 -14.568 1.00 2.00 H new ATOM 0 HD2 LYS B 72 -3.185 6.473 -14.717 1.00 3.15 H new ATOM 0 HD3 LYS B 72 -3.166 6.530 -12.965 1.00 3.15 H new ATOM 0 HE2 LYS B 72 -1.716 8.533 -14.738 1.00 4.39 H new ATOM 0 HE3 LYS B 72 -3.334 8.775 -14.111 1.00 4.39 H new ATOM 0 HZ1 LYS B 72 -1.356 9.763 -12.865 1.00 5.63 H new ATOM 0 HZ2 LYS B 72 -2.572 8.990 -11.966 1.00 5.63 H new ATOM 0 HZ3 LYS B 72 -1.106 8.190 -12.274 1.00 5.63 H new ATOM 2788 N PHE B 73 -0.443 2.296 -10.848 1.00 0.83 N ATOM 2789 CA PHE B 73 -0.194 1.526 -9.630 1.00 0.82 C ATOM 2790 C PHE B 73 0.237 2.419 -8.460 1.00 0.63 C ATOM 2791 O PHE B 73 -0.247 2.239 -7.346 1.00 0.55 O ATOM 2792 CB PHE B 73 0.779 0.364 -9.887 1.00 1.15 C ATOM 2793 CG PHE B 73 2.046 0.725 -10.632 1.00 0.96 C ATOM 2794 CD1 PHE B 73 2.071 0.679 -12.039 1.00 2.15 C ATOM 2795 CD2 PHE B 73 3.235 0.975 -9.921 1.00 2.06 C ATOM 2796 CE1 PHE B 73 3.262 0.944 -12.735 1.00 2.58 C ATOM 2797 CE2 PHE B 73 4.442 1.151 -10.617 1.00 2.87 C ATOM 2798 CZ PHE B 73 4.453 1.167 -12.022 1.00 2.64 C ATOM 0 H PHE B 73 0.054 1.946 -11.667 1.00 0.83 H new ATOM 0 HA PHE B 73 -1.140 1.077 -9.328 1.00 0.82 H new ATOM 0 HB2 PHE B 73 1.055 -0.074 -8.928 1.00 1.15 H new ATOM 0 HB3 PHE B 73 0.255 -0.408 -10.451 1.00 1.15 H new ATOM 0 HD1 PHE B 73 1.171 0.439 -12.585 1.00 2.15 H new ATOM 0 HD2 PHE B 73 3.219 1.031 -8.843 1.00 2.06 H new ATOM 0 HE1 PHE B 73 3.263 0.976 -13.815 1.00 2.58 H new ATOM 0 HE2 PHE B 73 5.365 1.275 -10.070 1.00 2.87 H new ATOM 0 HZ PHE B 73 5.375 1.350 -12.553 1.00 2.64 H new ATOM 2808 N ASN B 74 1.096 3.413 -8.708 1.00 0.72 N ATOM 2809 CA ASN B 74 1.503 4.376 -7.683 1.00 0.75 C ATOM 2810 C ASN B 74 0.301 5.139 -7.096 1.00 0.62 C ATOM 2811 O ASN B 74 0.239 5.407 -5.898 1.00 0.66 O ATOM 2812 CB ASN B 74 2.538 5.356 -8.254 1.00 1.00 C ATOM 2813 CG ASN B 74 3.189 6.208 -7.160 1.00 1.77 C ATOM 2814 OD1 ASN B 74 3.108 5.895 -5.979 1.00 3.06 O ATOM 2815 ND2 ASN B 74 3.857 7.291 -7.543 1.00 2.41 N ATOM 0 H ASN B 74 1.526 3.571 -9.619 1.00 0.72 H new ATOM 0 HA ASN B 74 1.957 3.814 -6.867 1.00 0.75 H new ATOM 0 HB2 ASN B 74 3.309 4.799 -8.786 1.00 1.00 H new ATOM 0 HB3 ASN B 74 2.056 6.008 -8.982 1.00 1.00 H new ATOM 0 HD21 ASN B 74 4.315 7.880 -6.848 1.00 2.41 H new ATOM 0 HD22 ASN B 74 3.912 7.533 -8.532 1.00 2.41 H new ATOM 2822 N GLU B 75 -0.674 5.499 -7.937 1.00 0.60 N ATOM 2823 CA GLU B 75 -1.853 6.218 -7.479 1.00 0.64 C ATOM 2824 C GLU B 75 -2.861 5.282 -6.821 1.00 0.63 C ATOM 2825 O GLU B 75 -3.416 5.632 -5.782 1.00 0.77 O ATOM 2826 CB GLU B 75 -2.488 7.028 -8.604 1.00 0.76 C ATOM 2827 CG GLU B 75 -1.597 8.224 -8.966 1.00 1.29 C ATOM 2828 CD GLU B 75 -2.460 9.442 -9.231 1.00 2.68 C ATOM 2829 OE1 GLU B 75 -2.841 10.090 -8.225 1.00 4.19 O ATOM 2830 OE2 GLU B 75 -2.753 9.655 -10.427 1.00 3.27 O ATOM 0 H GLU B 75 -0.664 5.301 -8.938 1.00 0.60 H new ATOM 0 HA GLU B 75 -1.525 6.925 -6.717 1.00 0.64 H new ATOM 0 HB2 GLU B 75 -2.633 6.396 -9.480 1.00 0.76 H new ATOM 0 HB3 GLU B 75 -3.473 7.379 -8.297 1.00 0.76 H new ATOM 0 HG2 GLU B 75 -0.900 8.430 -8.153 1.00 1.29 H new ATOM 0 HG3 GLU B 75 -0.999 7.991 -9.847 1.00 1.29 H new ATOM 2837 N TYR B 76 -3.077 4.086 -7.384 1.00 0.57 N ATOM 2838 CA TYR B 76 -3.793 3.024 -6.679 1.00 0.67 C ATOM 2839 C TYR B 76 -3.256 2.973 -5.253 1.00 0.65 C ATOM 2840 O TYR B 76 -4.020 3.016 -4.292 1.00 0.72 O ATOM 2841 CB TYR B 76 -3.599 1.678 -7.393 1.00 0.74 C ATOM 2842 CG TYR B 76 -4.166 0.460 -6.681 1.00 1.08 C ATOM 2843 CD1 TYR B 76 -3.414 -0.174 -5.671 1.00 1.82 C ATOM 2844 CD2 TYR B 76 -5.357 -0.138 -7.131 1.00 1.95 C ATOM 2845 CE1 TYR B 76 -3.858 -1.385 -5.112 1.00 2.09 C ATOM 2846 CE2 TYR B 76 -5.795 -1.353 -6.576 1.00 2.29 C ATOM 2847 CZ TYR B 76 -5.043 -1.980 -5.572 1.00 1.91 C ATOM 2848 OH TYR B 76 -5.463 -3.166 -5.050 1.00 2.32 O ATOM 0 H TYR B 76 -2.766 3.834 -8.322 1.00 0.57 H new ATOM 0 HA TYR B 76 -4.864 3.227 -6.666 1.00 0.67 H new ATOM 0 HB2 TYR B 76 -4.057 1.743 -8.380 1.00 0.74 H new ATOM 0 HB3 TYR B 76 -2.531 1.521 -7.546 1.00 0.74 H new ATOM 0 HD1 TYR B 76 -2.493 0.272 -5.325 1.00 1.82 H new ATOM 0 HD2 TYR B 76 -5.938 0.339 -7.907 1.00 1.95 H new ATOM 0 HE1 TYR B 76 -3.286 -1.858 -4.327 1.00 2.09 H new ATOM 0 HE2 TYR B 76 -6.712 -1.805 -6.924 1.00 2.29 H new ATOM 0 HH TYR B 76 -5.164 -3.238 -4.119 1.00 2.32 H new ATOM 2858 N TRP B 77 -1.927 2.955 -5.140 1.00 0.55 N ATOM 2859 CA TRP B 77 -1.235 2.955 -3.879 1.00 0.50 C ATOM 2860 C TRP B 77 -1.761 4.000 -2.897 1.00 0.51 C ATOM 2861 O TRP B 77 -2.477 3.649 -1.958 1.00 0.57 O ATOM 2862 CB TRP B 77 0.268 3.084 -4.127 1.00 0.49 C ATOM 2863 CG TRP B 77 0.980 2.128 -3.287 1.00 0.47 C ATOM 2864 CD1 TRP B 77 1.249 2.348 -1.999 1.00 0.46 C ATOM 2865 CD2 TRP B 77 1.502 0.821 -3.621 1.00 0.51 C ATOM 2866 NE1 TRP B 77 1.782 1.205 -1.466 1.00 0.45 N ATOM 2867 CE2 TRP B 77 2.032 0.254 -2.432 1.00 0.49 C ATOM 2868 CE3 TRP B 77 1.653 0.092 -4.814 1.00 0.60 C ATOM 2869 CZ2 TRP B 77 2.677 -0.987 -2.423 1.00 0.57 C ATOM 2870 CZ3 TRP B 77 2.348 -1.124 -4.806 1.00 0.68 C ATOM 2871 CH2 TRP B 77 2.828 -1.678 -3.625 1.00 0.68 C ATOM 0 H TRP B 77 -1.302 2.940 -5.946 1.00 0.55 H new ATOM 0 HA TRP B 77 -1.431 2.002 -3.388 1.00 0.50 H new ATOM 0 HB2 TRP B 77 0.492 2.899 -5.178 1.00 0.49 H new ATOM 0 HB3 TRP B 77 0.599 4.098 -3.904 1.00 0.49 H new ATOM 0 HD1 TRP B 77 1.076 3.272 -1.467 1.00 0.46 H new ATOM 0 HE1 TRP B 77 1.971 1.073 -0.472 1.00 0.45 H new ATOM 0 HE3 TRP B 77 1.234 0.469 -5.735 1.00 0.60 H new ATOM 0 HZ2 TRP B 77 3.052 -1.404 -1.500 1.00 0.57 H new ATOM 0 HZ3 TRP B 77 2.515 -1.643 -5.738 1.00 0.68 H new ATOM 0 HH2 TRP B 77 3.317 -2.641 -3.638 1.00 0.68 H new ATOM 2882 N ARG B 78 -1.404 5.277 -3.076 1.00 0.50 N ATOM 2883 CA ARG B 78 -1.903 6.325 -2.199 1.00 0.62 C ATOM 2884 C ARG B 78 -3.424 6.205 -2.001 1.00 0.68 C ATOM 2885 O ARG B 78 -3.874 6.321 -0.873 1.00 0.76 O ATOM 2886 CB ARG B 78 -1.488 7.712 -2.701 1.00 0.70 C ATOM 2887 CG ARG B 78 -2.300 8.154 -3.914 1.00 1.81 C ATOM 2888 CD ARG B 78 -1.805 9.492 -4.443 1.00 1.88 C ATOM 2889 NE ARG B 78 -2.694 10.002 -5.503 1.00 3.11 N ATOM 2890 CZ ARG B 78 -3.902 10.569 -5.331 1.00 4.83 C ATOM 2891 NH1 ARG B 78 -4.476 10.682 -4.120 1.00 6.02 N ATOM 2892 NH2 ARG B 78 -4.526 11.008 -6.426 1.00 5.90 N ATOM 0 H ARG B 78 -0.778 5.600 -3.814 1.00 0.50 H new ATOM 0 HA ARG B 78 -1.445 6.194 -1.219 1.00 0.62 H new ATOM 0 HB2 ARG B 78 -1.613 8.439 -1.898 1.00 0.70 H new ATOM 0 HB3 ARG B 78 -0.429 7.701 -2.960 1.00 0.70 H new ATOM 0 HG2 ARG B 78 -2.229 7.400 -4.698 1.00 1.81 H new ATOM 0 HG3 ARG B 78 -3.353 8.233 -3.642 1.00 1.81 H new ATOM 0 HD2 ARG B 78 -1.754 10.213 -3.627 1.00 1.88 H new ATOM 0 HD3 ARG B 78 -0.794 9.381 -4.834 1.00 1.88 H new ATOM 0 HE ARG B 78 -2.360 9.916 -6.463 1.00 3.11 H new ATOM 0 HH11 ARG B 78 -3.994 10.332 -3.292 1.00 6.02 H new ATOM 0 HH12 ARG B 78 -5.394 11.118 -4.029 1.00 6.02 H new ATOM 0 HH21 ARG B 78 -4.085 10.906 -7.340 1.00 5.90 H new ATOM 0 HH22 ARG B 78 -5.444 11.446 -6.349 1.00 5.90 H new ATOM 2906 N LEU B 79 -4.219 5.915 -3.044 1.00 0.68 N ATOM 2907 CA LEU B 79 -5.673 5.806 -2.918 1.00 0.75 C ATOM 2908 C LEU B 79 -6.090 4.749 -1.878 1.00 0.70 C ATOM 2909 O LEU B 79 -6.988 5.011 -1.062 1.00 0.77 O ATOM 2910 CB LEU B 79 -6.340 5.516 -4.278 1.00 0.89 C ATOM 2911 CG LEU B 79 -6.688 6.707 -5.201 1.00 1.14 C ATOM 2912 CD1 LEU B 79 -5.777 7.928 -5.087 1.00 1.20 C ATOM 2913 CD2 LEU B 79 -6.701 6.258 -6.663 1.00 1.57 C ATOM 0 H LEU B 79 -3.871 5.752 -3.989 1.00 0.68 H new ATOM 0 HA LEU B 79 -6.025 6.775 -2.563 1.00 0.75 H new ATOM 0 HB2 LEU B 79 -5.682 4.848 -4.834 1.00 0.89 H new ATOM 0 HB3 LEU B 79 -7.262 4.967 -4.084 1.00 0.89 H new ATOM 0 HG LEU B 79 -7.672 7.027 -4.857 1.00 1.14 H new ATOM 0 HD11 LEU B 79 -6.115 8.700 -5.779 1.00 1.20 H new ATOM 0 HD12 LEU B 79 -5.811 8.314 -4.068 1.00 1.20 H new ATOM 0 HD13 LEU B 79 -4.754 7.643 -5.333 1.00 1.20 H new ATOM 0 HD21 LEU B 79 -6.947 7.106 -7.302 1.00 1.57 H new ATOM 0 HD22 LEU B 79 -5.718 5.873 -6.934 1.00 1.57 H new ATOM 0 HD23 LEU B 79 -7.447 5.475 -6.796 1.00 1.57 H new ATOM 2925 N ILE B 80 -5.485 3.551 -1.895 1.00 0.63 N ATOM 2926 CA ILE B 80 -5.787 2.570 -0.851 1.00 0.62 C ATOM 2927 C ILE B 80 -5.187 3.025 0.486 1.00 0.55 C ATOM 2928 O ILE B 80 -5.767 2.761 1.532 1.00 0.53 O ATOM 2929 CB ILE B 80 -5.439 1.101 -1.196 1.00 0.64 C ATOM 2930 CG1 ILE B 80 -3.991 0.761 -0.844 1.00 0.67 C ATOM 2931 CG2 ILE B 80 -5.732 0.730 -2.645 1.00 0.79 C ATOM 2932 CD1 ILE B 80 -3.486 -0.635 -1.224 1.00 0.62 C ATOM 0 H ILE B 80 -4.808 3.249 -2.595 1.00 0.63 H new ATOM 0 HA ILE B 80 -6.873 2.546 -0.766 1.00 0.62 H new ATOM 0 HB ILE B 80 -6.101 0.498 -0.575 1.00 0.64 H new ATOM 0 HG12 ILE B 80 -3.345 1.496 -1.325 1.00 0.67 H new ATOM 0 HG13 ILE B 80 -3.867 0.883 0.232 1.00 0.67 H new ATOM 0 HG21 ILE B 80 -5.464 -0.313 -2.815 1.00 0.79 H new ATOM 0 HG22 ILE B 80 -6.794 0.870 -2.849 1.00 0.79 H new ATOM 0 HG23 ILE B 80 -5.148 1.367 -3.309 1.00 0.79 H new ATOM 0 HD11 ILE B 80 -2.446 -0.742 -0.917 1.00 0.62 H new ATOM 0 HD12 ILE B 80 -4.092 -1.390 -0.723 1.00 0.62 H new ATOM 0 HD13 ILE B 80 -3.561 -0.768 -2.303 1.00 0.62 H new ATOM 2944 N GLY B 81 -4.047 3.721 0.469 1.00 0.56 N ATOM 2945 CA GLY B 81 -3.469 4.344 1.658 1.00 0.58 C ATOM 2946 C GLY B 81 -4.483 5.240 2.365 1.00 0.60 C ATOM 2947 O GLY B 81 -4.757 5.098 3.555 1.00 0.68 O ATOM 0 H GLY B 81 -3.497 3.868 -0.377 1.00 0.56 H new ATOM 0 HA2 GLY B 81 -3.123 3.571 2.344 1.00 0.58 H new ATOM 0 HA3 GLY B 81 -2.596 4.932 1.375 1.00 0.58 H new ATOM 2951 N GLU B 82 -5.058 6.154 1.589 1.00 0.56 N ATOM 2952 CA GLU B 82 -6.163 7.008 1.952 1.00 0.59 C ATOM 2953 C GLU B 82 -7.301 6.115 2.478 1.00 0.58 C ATOM 2954 O GLU B 82 -7.783 6.337 3.580 1.00 0.62 O ATOM 2955 CB GLU B 82 -6.506 7.884 0.727 1.00 0.76 C ATOM 2956 CG GLU B 82 -5.360 8.853 0.330 1.00 0.90 C ATOM 2957 CD GLU B 82 -5.378 9.286 -1.144 1.00 2.09 C ATOM 2958 OE1 GLU B 82 -6.482 9.317 -1.724 1.00 2.90 O ATOM 2959 OE2 GLU B 82 -4.292 9.583 -1.700 1.00 3.11 O ATOM 0 H GLU B 82 -4.739 6.321 0.635 1.00 0.56 H new ATOM 0 HA GLU B 82 -5.938 7.704 2.760 1.00 0.59 H new ATOM 0 HB2 GLU B 82 -6.737 7.238 -0.120 1.00 0.76 H new ATOM 0 HB3 GLU B 82 -7.405 8.462 0.942 1.00 0.76 H new ATOM 0 HG2 GLU B 82 -5.418 9.742 0.958 1.00 0.90 H new ATOM 0 HG3 GLU B 82 -4.405 8.374 0.544 1.00 0.90 H new ATOM 2966 N LEU B 83 -7.665 5.022 1.790 1.00 0.59 N ATOM 2967 CA LEU B 83 -8.674 4.092 2.301 1.00 0.60 C ATOM 2968 C LEU B 83 -8.318 3.601 3.721 1.00 0.58 C ATOM 2969 O LEU B 83 -9.149 3.675 4.627 1.00 0.60 O ATOM 2970 CB LEU B 83 -8.905 2.947 1.294 1.00 0.68 C ATOM 2971 CG LEU B 83 -10.323 2.351 1.266 1.00 1.24 C ATOM 2972 CD1 LEU B 83 -10.837 2.047 2.670 1.00 2.61 C ATOM 2973 CD2 LEU B 83 -11.336 3.242 0.538 1.00 1.96 C ATOM 0 H LEU B 83 -7.276 4.764 0.883 1.00 0.59 H new ATOM 0 HA LEU B 83 -9.624 4.617 2.403 1.00 0.60 H new ATOM 0 HB2 LEU B 83 -8.666 3.314 0.296 1.00 0.68 H new ATOM 0 HB3 LEU B 83 -8.200 2.146 1.516 1.00 0.68 H new ATOM 0 HG LEU B 83 -10.231 1.421 0.706 1.00 1.24 H new ATOM 0 HD11 LEU B 83 -11.841 1.628 2.607 1.00 2.61 H new ATOM 0 HD12 LEU B 83 -10.174 1.329 3.153 1.00 2.61 H new ATOM 0 HD13 LEU B 83 -10.864 2.967 3.255 1.00 2.61 H new ATOM 0 HD21 LEU B 83 -12.316 2.766 0.553 1.00 1.96 H new ATOM 0 HD22 LEU B 83 -11.395 4.209 1.037 1.00 1.96 H new ATOM 0 HD23 LEU B 83 -11.018 3.385 -0.495 1.00 1.96 H new ATOM 2985 N ALA B 84 -7.078 3.147 3.952 1.00 0.59 N ATOM 2986 CA ALA B 84 -6.596 2.801 5.287 1.00 0.61 C ATOM 2987 C ALA B 84 -6.649 3.969 6.291 1.00 0.69 C ATOM 2988 O ALA B 84 -6.544 3.727 7.498 1.00 0.96 O ATOM 2989 CB ALA B 84 -5.186 2.210 5.193 1.00 0.72 C ATOM 0 H ALA B 84 -6.385 3.011 3.216 1.00 0.59 H new ATOM 0 HA ALA B 84 -7.280 2.052 5.685 1.00 0.61 H new ATOM 0 HB1 ALA B 84 -4.832 1.954 6.191 1.00 0.72 H new ATOM 0 HB2 ALA B 84 -5.208 1.313 4.574 1.00 0.72 H new ATOM 0 HB3 ALA B 84 -4.514 2.942 4.746 1.00 0.72 H new ATOM 2995 N LYS B 85 -6.739 5.223 5.830 1.00 0.71 N ATOM 2996 CA LYS B 85 -7.007 6.395 6.660 1.00 0.88 C ATOM 2997 C LYS B 85 -8.503 6.514 6.954 1.00 0.85 C ATOM 2998 O LYS B 85 -8.866 6.703 8.115 1.00 1.02 O ATOM 2999 CB LYS B 85 -6.450 7.669 6.002 1.00 1.16 C ATOM 3000 CG LYS B 85 -6.363 8.860 6.971 1.00 1.25 C ATOM 3001 CD LYS B 85 -7.105 10.065 6.379 1.00 1.63 C ATOM 3002 CE LYS B 85 -6.889 11.331 7.221 1.00 2.61 C ATOM 3003 NZ LYS B 85 -7.676 12.469 6.703 1.00 3.36 N ATOM 0 H LYS B 85 -6.624 5.452 4.843 1.00 0.71 H new ATOM 0 HA LYS B 85 -6.494 6.272 7.614 1.00 0.88 H new ATOM 0 HB2 LYS B 85 -5.458 7.460 5.602 1.00 1.16 H new ATOM 0 HB3 LYS B 85 -7.083 7.941 5.157 1.00 1.16 H new ATOM 0 HG2 LYS B 85 -6.798 8.590 7.934 1.00 1.25 H new ATOM 0 HG3 LYS B 85 -5.320 9.117 7.153 1.00 1.25 H new ATOM 0 HD2 LYS B 85 -6.759 10.241 5.360 1.00 1.63 H new ATOM 0 HD3 LYS B 85 -8.171 9.844 6.320 1.00 1.63 H new ATOM 0 HE2 LYS B 85 -7.171 11.133 8.255 1.00 2.61 H new ATOM 0 HE3 LYS B 85 -5.830 11.591 7.223 1.00 2.61 H new ATOM 0 HZ1 LYS B 85 -7.393 13.340 7.196 1.00 3.36 H new ATOM 0 HZ2 LYS B 85 -7.502 12.576 5.683 1.00 3.36 H new ATOM 0 HZ3 LYS B 85 -8.688 12.293 6.864 1.00 3.36 H new ATOM 3017 N GLU B 86 -9.351 6.416 5.923 1.00 0.72 N ATOM 3018 CA GLU B 86 -10.798 6.338 6.065 1.00 0.79 C ATOM 3019 C GLU B 86 -11.163 5.197 7.032 1.00 0.91 C ATOM 3020 O GLU B 86 -11.430 5.413 8.214 1.00 1.20 O ATOM 3021 CB GLU B 86 -11.472 6.105 4.692 1.00 0.83 C ATOM 3022 CG GLU B 86 -11.600 7.309 3.750 1.00 1.00 C ATOM 3023 CD GLU B 86 -10.341 7.686 2.982 1.00 1.51 C ATOM 3024 OE1 GLU B 86 -10.140 7.128 1.875 1.00 2.10 O ATOM 3025 OE2 GLU B 86 -9.622 8.566 3.498 1.00 2.73 O ATOM 0 H GLU B 86 -9.039 6.389 4.952 1.00 0.72 H new ATOM 0 HA GLU B 86 -11.160 7.284 6.468 1.00 0.79 H new ATOM 0 HB2 GLU B 86 -10.912 5.329 4.171 1.00 0.83 H new ATOM 0 HB3 GLU B 86 -12.472 5.711 4.871 1.00 0.83 H new ATOM 0 HG2 GLU B 86 -12.393 7.101 3.031 1.00 1.00 H new ATOM 0 HG3 GLU B 86 -11.918 8.172 4.335 1.00 1.00 H new ATOM 3032 N ILE B 87 -11.232 3.971 6.519 1.00 0.81 N ATOM 3033 CA ILE B 87 -11.737 2.829 7.262 1.00 0.89 C ATOM 3034 C ILE B 87 -10.605 2.299 8.141 1.00 1.12 C ATOM 3035 O ILE B 87 -9.689 1.622 7.675 1.00 1.25 O ATOM 3036 CB ILE B 87 -12.354 1.779 6.303 1.00 0.85 C ATOM 3037 CG1 ILE B 87 -13.851 2.068 6.097 1.00 1.60 C ATOM 3038 CG2 ILE B 87 -12.192 0.316 6.742 1.00 1.83 C ATOM 3039 CD1 ILE B 87 -14.714 1.691 7.313 1.00 2.05 C ATOM 0 H ILE B 87 -10.936 3.745 5.569 1.00 0.81 H new ATOM 0 HA ILE B 87 -12.557 3.112 7.921 1.00 0.89 H new ATOM 0 HB ILE B 87 -11.789 1.884 5.377 1.00 0.85 H new ATOM 0 HG12 ILE B 87 -13.983 3.128 5.880 1.00 1.60 H new ATOM 0 HG13 ILE B 87 -14.204 1.518 5.225 1.00 1.60 H new ATOM 0 HG21 ILE B 87 -12.657 -0.339 6.005 1.00 1.83 H new ATOM 0 HG22 ILE B 87 -11.132 0.076 6.823 1.00 1.83 H new ATOM 0 HG23 ILE B 87 -12.672 0.171 7.710 1.00 1.83 H new ATOM 0 HD11 ILE B 87 -15.759 1.920 7.103 1.00 2.05 H new ATOM 0 HD12 ILE B 87 -14.610 0.625 7.517 1.00 2.05 H new ATOM 0 HD13 ILE B 87 -14.386 2.260 8.183 1.00 2.05 H new ATOM 3051 N ARG B 88 -10.678 2.577 9.445 1.00 1.36 N ATOM 3052 CA ARG B 88 -9.669 2.117 10.383 1.00 1.72 C ATOM 3053 C ARG B 88 -9.950 0.665 10.774 1.00 1.61 C ATOM 3054 O ARG B 88 -10.047 0.344 11.960 1.00 1.99 O ATOM 3055 CB ARG B 88 -9.660 3.020 11.625 1.00 2.15 C ATOM 3056 CG ARG B 88 -9.307 4.479 11.313 1.00 2.63 C ATOM 3057 CD ARG B 88 -9.239 5.255 12.635 1.00 2.86 C ATOM 3058 NE ARG B 88 -8.845 6.656 12.425 1.00 3.75 N ATOM 3059 CZ ARG B 88 -8.595 7.527 13.418 1.00 4.45 C ATOM 3060 NH1 ARG B 88 -8.743 7.146 14.692 1.00 4.77 N ATOM 3061 NH2 ARG B 88 -8.196 8.773 13.136 1.00 5.60 N ATOM 0 H ARG B 88 -11.430 3.120 9.869 1.00 1.36 H new ATOM 0 HA ARG B 88 -8.687 2.167 9.912 1.00 1.72 H new ATOM 0 HB2 ARG B 88 -10.641 2.984 12.098 1.00 2.15 H new ATOM 0 HB3 ARG B 88 -8.944 2.627 12.346 1.00 2.15 H new ATOM 0 HG2 ARG B 88 -8.352 4.535 10.791 1.00 2.63 H new ATOM 0 HG3 ARG B 88 -10.056 4.918 10.654 1.00 2.63 H new ATOM 0 HD2 ARG B 88 -10.211 5.220 13.127 1.00 2.86 H new ATOM 0 HD3 ARG B 88 -8.526 4.773 13.303 1.00 2.86 H new ATOM 0 HE ARG B 88 -8.756 6.988 11.465 1.00 3.75 H new ATOM 0 HH11 ARG B 88 -9.045 6.196 14.908 1.00 4.77 H new ATOM 0 HH12 ARG B 88 -8.554 7.805 15.447 1.00 4.77 H new ATOM 0 HH21 ARG B 88 -8.081 9.064 12.165 1.00 5.60 H new ATOM 0 HH22 ARG B 88 -8.007 9.431 13.892 1.00 5.60 H new ATOM 3075 N LYS B 89 -10.001 -0.236 9.782 1.00 1.56 N ATOM 3076 CA LYS B 89 -10.273 -1.644 10.050 1.00 1.58 C ATOM 3077 C LYS B 89 -9.229 -2.203 11.022 1.00 1.95 C ATOM 3078 O LYS B 89 -9.541 -3.016 11.886 1.00 1.61 O ATOM 3079 CB LYS B 89 -10.472 -2.458 8.755 1.00 2.42 C ATOM 3080 CG LYS B 89 -9.263 -3.150 8.098 1.00 2.28 C ATOM 3081 CD LYS B 89 -8.289 -2.205 7.383 1.00 1.83 C ATOM 3082 CE LYS B 89 -7.086 -2.999 6.854 1.00 2.65 C ATOM 3083 NZ LYS B 89 -7.425 -3.924 5.752 1.00 3.80 N ATOM 0 H LYS B 89 -9.858 -0.012 8.797 1.00 1.56 H new ATOM 0 HA LYS B 89 -11.234 -1.738 10.556 1.00 1.58 H new ATOM 0 HB2 LYS B 89 -11.214 -3.228 8.965 1.00 2.42 H new ATOM 0 HB3 LYS B 89 -10.908 -1.789 8.013 1.00 2.42 H new ATOM 0 HG2 LYS B 89 -8.717 -3.700 8.864 1.00 2.28 H new ATOM 0 HG3 LYS B 89 -9.629 -3.883 7.379 1.00 2.28 H new ATOM 0 HD2 LYS B 89 -8.795 -1.702 6.559 1.00 1.83 H new ATOM 0 HD3 LYS B 89 -7.951 -1.429 8.070 1.00 1.83 H new ATOM 0 HE2 LYS B 89 -6.324 -2.300 6.509 1.00 2.65 H new ATOM 0 HE3 LYS B 89 -6.649 -3.569 7.674 1.00 2.65 H new ATOM 0 HZ1 LYS B 89 -6.575 -4.113 5.183 1.00 3.80 H new ATOM 0 HZ2 LYS B 89 -7.783 -4.817 6.146 1.00 3.80 H new ATOM 0 HZ3 LYS B 89 -8.156 -3.494 5.150 1.00 3.80 H new ATOM 3097 N LYS B 90 -8.005 -1.672 10.926 1.00 2.83 N ATOM 3098 CA LYS B 90 -6.873 -1.954 11.794 1.00 3.52 C ATOM 3099 C LYS B 90 -7.210 -2.034 13.291 1.00 2.56 C ATOM 3100 O LYS B 90 -6.447 -2.647 14.030 1.00 3.33 O ATOM 3101 CB LYS B 90 -5.756 -0.937 11.501 1.00 4.79 C ATOM 3102 CG LYS B 90 -6.034 0.482 12.023 1.00 5.12 C ATOM 3103 CD LYS B 90 -5.080 1.513 11.390 1.00 6.88 C ATOM 3104 CE LYS B 90 -5.649 2.046 10.064 1.00 8.09 C ATOM 3105 NZ LYS B 90 -4.741 2.970 9.353 1.00 9.89 N ATOM 0 H LYS B 90 -7.772 -0.997 10.197 1.00 2.83 H new ATOM 0 HA LYS B 90 -6.532 -2.962 11.559 1.00 3.52 H new ATOM 0 HB2 LYS B 90 -4.828 -1.298 11.944 1.00 4.79 H new ATOM 0 HB3 LYS B 90 -5.598 -0.890 10.424 1.00 4.79 H new ATOM 0 HG2 LYS B 90 -7.066 0.756 11.803 1.00 5.12 H new ATOM 0 HG3 LYS B 90 -5.924 0.500 13.107 1.00 5.12 H new ATOM 0 HD2 LYS B 90 -4.922 2.341 12.081 1.00 6.88 H new ATOM 0 HD3 LYS B 90 -4.107 1.054 11.215 1.00 6.88 H new ATOM 0 HE2 LYS B 90 -5.877 1.203 9.412 1.00 8.09 H new ATOM 0 HE3 LYS B 90 -6.590 2.558 10.263 1.00 8.09 H new ATOM 0 HZ1 LYS B 90 -5.267 3.468 8.607 1.00 9.89 H new ATOM 0 HZ2 LYS B 90 -4.354 3.663 10.025 1.00 9.89 H new ATOM 0 HZ3 LYS B 90 -3.962 2.430 8.925 1.00 9.89 H new ATOM 3119 N LYS B 91 -8.307 -1.418 13.758 1.00 1.98 N ATOM 3120 CA LYS B 91 -8.720 -1.595 15.144 1.00 2.25 C ATOM 3121 C LYS B 91 -9.112 -3.056 15.432 1.00 2.14 C ATOM 3122 O LYS B 91 -8.473 -3.685 16.272 1.00 2.82 O ATOM 3123 CB LYS B 91 -9.846 -0.613 15.500 1.00 3.32 C ATOM 3124 CG LYS B 91 -10.062 -0.600 17.021 1.00 3.66 C ATOM 3125 CD LYS B 91 -11.374 0.102 17.391 1.00 4.55 C ATOM 3126 CE LYS B 91 -11.817 -0.235 18.824 1.00 4.83 C ATOM 3127 NZ LYS B 91 -12.210 -1.653 18.960 1.00 5.01 N ATOM 0 H LYS B 91 -8.908 -0.807 13.204 1.00 1.98 H new ATOM 0 HA LYS B 91 -7.870 -1.368 15.787 1.00 2.25 H new ATOM 0 HB2 LYS B 91 -9.592 0.388 15.151 1.00 3.32 H new ATOM 0 HB3 LYS B 91 -10.767 -0.903 14.995 1.00 3.32 H new ATOM 0 HG2 LYS B 91 -10.076 -1.623 17.397 1.00 3.66 H new ATOM 0 HG3 LYS B 91 -9.227 -0.093 17.505 1.00 3.66 H new ATOM 0 HD2 LYS B 91 -11.249 1.180 17.293 1.00 4.55 H new ATOM 0 HD3 LYS B 91 -12.155 -0.194 16.690 1.00 4.55 H new ATOM 0 HE2 LYS B 91 -11.004 -0.016 19.516 1.00 4.83 H new ATOM 0 HE3 LYS B 91 -12.655 0.403 19.104 1.00 4.83 H new ATOM 0 HZ1 LYS B 91 -12.763 -1.778 19.832 1.00 5.01 H new ATOM 0 HZ2 LYS B 91 -12.786 -1.934 18.141 1.00 5.01 H new ATOM 0 HZ3 LYS B 91 -11.357 -2.247 19.003 1.00 5.01 H new ATOM 3141 N ASP B 92 -10.146 -3.604 14.767 1.00 1.89 N ATOM 3142 CA ASP B 92 -10.574 -4.990 14.999 1.00 2.21 C ATOM 3143 C ASP B 92 -11.213 -5.584 13.731 1.00 1.71 C ATOM 3144 O ASP B 92 -12.235 -6.274 13.813 1.00 2.16 O ATOM 3145 CB ASP B 92 -11.576 -5.090 16.193 1.00 3.01 C ATOM 3146 CG ASP B 92 -11.710 -3.869 17.093 1.00 3.94 C ATOM 3147 OD1 ASP B 92 -12.539 -2.982 16.781 1.00 4.62 O ATOM 3148 OD2 ASP B 92 -11.052 -3.804 18.154 1.00 4.70 O ATOM 0 H ASP B 92 -10.697 -3.107 14.067 1.00 1.89 H new ATOM 0 HA ASP B 92 -9.683 -5.565 15.252 1.00 2.21 H new ATOM 0 HB2 ASP B 92 -12.561 -5.321 15.789 1.00 3.01 H new ATOM 0 HB3 ASP B 92 -11.279 -5.936 16.813 1.00 3.01 H new ATOM 3153 N LEU B 93 -10.513 -5.486 12.596 1.00 1.26 N ATOM 3154 CA LEU B 93 -11.095 -5.495 11.249 1.00 0.96 C ATOM 3155 C LEU B 93 -12.255 -6.467 11.054 1.00 0.95 C ATOM 3156 O LEU B 93 -13.395 -6.054 10.842 1.00 1.28 O ATOM 3157 CB LEU B 93 -9.982 -5.637 10.192 1.00 1.42 C ATOM 3158 CG LEU B 93 -9.216 -6.952 9.987 1.00 1.79 C ATOM 3159 CD1 LEU B 93 -8.137 -6.723 8.924 1.00 2.57 C ATOM 3160 CD2 LEU B 93 -8.521 -7.468 11.257 1.00 2.81 C ATOM 0 H LEU B 93 -9.497 -5.396 12.588 1.00 1.26 H new ATOM 0 HA LEU B 93 -11.575 -4.527 11.109 1.00 0.96 H new ATOM 0 HB2 LEU B 93 -10.427 -5.380 9.231 1.00 1.42 H new ATOM 0 HB3 LEU B 93 -9.238 -4.872 10.414 1.00 1.42 H new ATOM 0 HG LEU B 93 -9.951 -7.700 9.690 1.00 1.79 H new ATOM 0 HD11 LEU B 93 -7.582 -7.647 8.764 1.00 2.57 H new ATOM 0 HD12 LEU B 93 -8.606 -6.416 7.989 1.00 2.57 H new ATOM 0 HD13 LEU B 93 -7.454 -5.943 9.261 1.00 2.57 H new ATOM 0 HD21 LEU B 93 -8.001 -8.400 11.034 1.00 2.81 H new ATOM 0 HD22 LEU B 93 -7.803 -6.726 11.606 1.00 2.81 H new ATOM 0 HD23 LEU B 93 -9.266 -7.645 12.033 1.00 2.81 H new ATOM 3172 N LYS B 94 -11.965 -7.744 11.269 1.00 1.07 N ATOM 3173 CA LYS B 94 -12.870 -8.871 11.172 1.00 1.28 C ATOM 3174 C LYS B 94 -14.232 -8.695 11.855 1.00 1.44 C ATOM 3175 O LYS B 94 -15.136 -9.483 11.594 1.00 1.61 O ATOM 3176 CB LYS B 94 -12.125 -10.135 11.621 1.00 1.63 C ATOM 3177 CG LYS B 94 -11.608 -10.042 13.066 1.00 2.85 C ATOM 3178 CD LYS B 94 -12.656 -10.530 14.073 1.00 4.67 C ATOM 3179 CE LYS B 94 -12.509 -9.804 15.421 1.00 6.21 C ATOM 3180 NZ LYS B 94 -12.953 -8.392 15.363 1.00 7.57 N ATOM 0 H LYS B 94 -11.024 -8.034 11.534 1.00 1.07 H new ATOM 0 HA LYS B 94 -13.159 -8.961 10.125 1.00 1.28 H new ATOM 0 HB2 LYS B 94 -12.791 -10.994 11.533 1.00 1.63 H new ATOM 0 HB3 LYS B 94 -11.284 -10.313 10.950 1.00 1.63 H new ATOM 0 HG2 LYS B 94 -10.700 -10.637 13.167 1.00 2.85 H new ATOM 0 HG3 LYS B 94 -11.339 -9.010 13.291 1.00 2.85 H new ATOM 0 HD2 LYS B 94 -13.656 -10.361 13.673 1.00 4.67 H new ATOM 0 HD3 LYS B 94 -12.549 -11.605 14.222 1.00 4.67 H new ATOM 0 HE2 LYS B 94 -13.089 -10.332 16.178 1.00 6.21 H new ATOM 0 HE3 LYS B 94 -11.466 -9.840 15.736 1.00 6.21 H new ATOM 0 HZ1 LYS B 94 -12.738 -7.923 16.266 1.00 7.57 H new ATOM 0 HZ2 LYS B 94 -12.455 -7.903 14.592 1.00 7.57 H new ATOM 0 HZ3 LYS B 94 -13.978 -8.357 15.190 1.00 7.57 H new ATOM 3194 N ILE B 95 -14.389 -7.743 12.787 1.00 1.50 N ATOM 3195 CA ILE B 95 -15.695 -7.413 13.334 1.00 1.80 C ATOM 3196 C ILE B 95 -16.703 -7.098 12.224 1.00 1.82 C ATOM 3197 O ILE B 95 -17.893 -7.342 12.400 1.00 2.10 O ATOM 3198 CB ILE B 95 -15.553 -6.252 14.332 1.00 2.01 C ATOM 3199 CG1 ILE B 95 -16.768 -6.193 15.266 1.00 3.09 C ATOM 3200 CG2 ILE B 95 -15.308 -4.899 13.644 1.00 3.15 C ATOM 3201 CD1 ILE B 95 -16.426 -5.356 16.498 1.00 3.69 C ATOM 0 H ILE B 95 -13.621 -7.193 13.172 1.00 1.50 H new ATOM 0 HA ILE B 95 -16.088 -8.279 13.867 1.00 1.80 H new ATOM 0 HB ILE B 95 -14.664 -6.452 14.930 1.00 2.01 H new ATOM 0 HG12 ILE B 95 -17.620 -5.759 14.744 1.00 3.09 H new ATOM 0 HG13 ILE B 95 -17.058 -7.200 15.567 1.00 3.09 H new ATOM 0 HG21 ILE B 95 -15.216 -4.118 14.399 1.00 3.15 H new ATOM 0 HG22 ILE B 95 -14.389 -4.949 13.060 1.00 3.15 H new ATOM 0 HG23 ILE B 95 -16.145 -4.669 12.985 1.00 3.15 H new ATOM 0 HD11 ILE B 95 -17.290 -5.315 17.161 1.00 3.69 H new ATOM 0 HD12 ILE B 95 -15.586 -5.810 17.024 1.00 3.69 H new ATOM 0 HD13 ILE B 95 -16.158 -4.346 16.189 1.00 3.69 H new ATOM 3213 N ARG B 96 -16.224 -6.566 11.094 1.00 1.62 N ATOM 3214 CA ARG B 96 -16.991 -6.383 9.874 1.00 1.69 C ATOM 3215 C ARG B 96 -18.056 -5.296 10.056 1.00 2.06 C ATOM 3216 O ARG B 96 -17.898 -4.178 9.567 1.00 2.99 O ATOM 3217 CB ARG B 96 -17.540 -7.736 9.390 1.00 1.73 C ATOM 3218 CG ARG B 96 -17.960 -7.685 7.918 1.00 2.44 C ATOM 3219 CD ARG B 96 -19.468 -7.523 7.721 1.00 3.33 C ATOM 3220 NE ARG B 96 -19.741 -6.773 6.483 1.00 4.67 N ATOM 3221 CZ ARG B 96 -20.857 -6.835 5.748 1.00 5.50 C ATOM 3222 NH1 ARG B 96 -21.877 -7.619 6.117 1.00 5.19 N ATOM 3223 NH2 ARG B 96 -20.933 -6.085 4.647 1.00 7.09 N ATOM 0 H ARG B 96 -15.260 -6.243 11.009 1.00 1.62 H new ATOM 0 HA ARG B 96 -16.343 -6.017 9.078 1.00 1.69 H new ATOM 0 HB2 ARG B 96 -16.780 -8.506 9.525 1.00 1.73 H new ATOM 0 HB3 ARG B 96 -18.395 -8.021 10.002 1.00 1.73 H new ATOM 0 HG2 ARG B 96 -17.446 -6.857 7.430 1.00 2.44 H new ATOM 0 HG3 ARG B 96 -17.633 -8.599 7.423 1.00 2.44 H new ATOM 0 HD2 ARG B 96 -19.943 -8.503 7.674 1.00 3.33 H new ATOM 0 HD3 ARG B 96 -19.900 -7.000 8.574 1.00 3.33 H new ATOM 0 HE ARG B 96 -19.008 -6.145 6.154 1.00 4.67 H new ATOM 0 HH11 ARG B 96 -21.809 -8.178 6.967 1.00 5.19 H new ATOM 0 HH12 ARG B 96 -22.723 -7.657 5.548 1.00 5.19 H new ATOM 0 HH21 ARG B 96 -20.152 -5.484 4.384 1.00 7.09 H new ATOM 0 HH22 ARG B 96 -21.772 -6.113 4.068 1.00 7.09 H new