USER MOD reduce.3.24.130724 H: found=0, std=0, add=1403, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1403 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 32 SER OG : rot 86:sc= 2.36 USER MOD Set 1.2: B 72 LYS NZ :NH3+ -171:sc= 2.15 (180deg=0.573) USER MOD Set 2.1: B 44 GLN : amide:sc= 0.988 K(o=3.1,f=1.2) USER MOD Set 2.2: B 45 GLN : amide:sc= 2.08 K(o=3.1,f=-1.1) USER MOD Set 3.1: A 85 LYS NZ :NH3+ -173:sc= 2.35 (180deg=1.03) USER MOD Set 3.2: B 74 ASN : amide:sc= 2.1 K(o=4.4,f=-7.9!) USER MOD Set 4.1: A 74 ASN : amide:sc= 1.95 K(o=4.1,f=-20!) USER MOD Set 4.2: B 85 LYS NZ :NH3+ 133:sc= 2.18 (180deg=-0.725) USER MOD Set 5.1: A 61 LYS NZ :NH3+ -175:sc= 1.12 (180deg=0) USER MOD Set 5.2: A 67 GLN : amide:sc= 0.792 K(o=1.9,f=-9.9!) USER MOD Single : A 7 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A 22 THR OG1 : rot -149:sc= 0.934 USER MOD Single : A 26 GLN : amide:sc= 1.71 K(o=1.7,f=-6.6!) USER MOD Single : A 30 LYS NZ :NH3+ -134:sc= 1.37 (180deg=-1.06!) USER MOD Single : A 32 SER OG : rot -156:sc= 0.755 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 1.91 K(o=1.9,f=-0.36) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 2.32 (180deg=2.05) USER MOD Single : A 43 THR OG1 : rot 86:sc= 0.194 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 1.17 K(o=1.2,f=-0.17) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.0614 (180deg=-0.766) USER MOD Single : A 55 SER OG : rot -45:sc= 0.76 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 1.17 (180deg=1.09) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.0861 (180deg=-0.579) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.28 K(o=1.3,f=-4.2!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 2.32 (180deg=1.43) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0162 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot -140:sc= 1.34 USER MOD Single : B 12 SER OG : rot -150:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 86:sc= 1.02 USER MOD Single : B 22 THR OG1 : rot -75:sc= 1.15 USER MOD Single : B 26 GLN : amide:sc= 1.14 K(o=1.1,f=-0.5) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 79:sc= 0.91 USER MOD Single : B 36 ASN : amide:sc= 0.664 K(o=0.66,f=-0.058) USER MOD Single : B 39 LYS NZ :NH3+ 141:sc= 0.919 (180deg=-0.00722) USER MOD Single : B 43 THR OG1 : rot 86:sc= 0.138 USER MOD Single : B 48 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 168:sc= 0.853 (180deg=0.476) USER MOD Single : B 55 SER OG : rot 180:sc= 0.00789 USER MOD Single : B 59 LYS NZ :NH3+ -171:sc= 2.13 (180deg=2.04) USER MOD Single : B 60 MET CE :methyl 177:sc= 0 (180deg=-0.00598) USER MOD Single : B 61 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0.89) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.427 K(o=-0.43,f=-2.8) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ 146:sc= 0.811 (180deg=-2.85!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 6.976 -15.842 -17.093 1.00 1.80 N ATOM 41 CA GLU A 4 5.866 -14.918 -17.240 1.00 3.66 C ATOM 42 C GLU A 4 5.369 -14.432 -15.868 1.00 3.21 C ATOM 43 O GLU A 4 5.528 -13.246 -15.585 1.00 2.94 O ATOM 44 CB GLU A 4 4.780 -15.501 -18.165 1.00 5.59 C ATOM 45 CG GLU A 4 5.361 -16.159 -19.427 1.00 6.05 C ATOM 46 CD GLU A 4 5.664 -17.641 -19.258 1.00 6.41 C ATOM 47 OE1 GLU A 4 5.996 -18.096 -18.136 1.00 6.09 O ATOM 48 OE2 GLU A 4 5.553 -18.386 -20.259 1.00 7.59 O ATOM 0 HA GLU A 4 6.206 -14.015 -17.748 1.00 3.66 H new ATOM 0 HB2 GLU A 4 4.196 -16.238 -17.613 1.00 5.59 H new ATOM 0 HB3 GLU A 4 4.094 -14.706 -18.458 1.00 5.59 H new ATOM 0 HG2 GLU A 4 4.657 -16.032 -20.249 1.00 6.05 H new ATOM 0 HG3 GLU A 4 6.277 -15.639 -19.709 1.00 6.05 H new ATOM 55 N PRO A 5 4.787 -15.283 -14.997 1.00 3.30 N ATOM 56 CA PRO A 5 4.504 -14.881 -13.628 1.00 2.92 C ATOM 57 C PRO A 5 5.811 -14.776 -12.840 1.00 2.37 C ATOM 58 O PRO A 5 6.844 -15.311 -13.247 1.00 3.15 O ATOM 59 CB PRO A 5 3.608 -15.978 -13.053 1.00 3.40 C ATOM 60 CG PRO A 5 4.133 -17.220 -13.772 1.00 3.79 C ATOM 61 CD PRO A 5 4.426 -16.683 -15.173 1.00 3.91 C ATOM 0 HA PRO A 5 4.017 -13.907 -13.575 1.00 2.92 H new ATOM 0 HB2 PRO A 5 3.706 -16.060 -11.971 1.00 3.40 H new ATOM 0 HB3 PRO A 5 2.554 -15.798 -13.265 1.00 3.40 H new ATOM 0 HG2 PRO A 5 5.027 -17.620 -13.294 1.00 3.79 H new ATOM 0 HG3 PRO A 5 3.395 -18.022 -13.790 1.00 3.79 H new ATOM 0 HD2 PRO A 5 5.237 -17.239 -15.643 1.00 3.91 H new ATOM 0 HD3 PRO A 5 3.554 -16.783 -15.820 1.00 3.91 H new ATOM 69 N LEU A 6 5.751 -14.074 -11.712 1.00 1.38 N ATOM 70 CA LEU A 6 6.887 -13.687 -10.892 1.00 1.32 C ATOM 71 C LEU A 6 6.580 -14.062 -9.431 1.00 1.34 C ATOM 72 O LEU A 6 5.768 -14.957 -9.189 1.00 1.32 O ATOM 73 CB LEU A 6 7.116 -12.186 -11.136 1.00 1.47 C ATOM 74 CG LEU A 6 7.467 -11.860 -12.605 1.00 1.43 C ATOM 75 CD1 LEU A 6 7.272 -10.357 -12.838 1.00 1.86 C ATOM 76 CD2 LEU A 6 8.924 -12.227 -12.914 1.00 1.92 C ATOM 0 H LEU A 6 4.864 -13.745 -11.329 1.00 1.38 H new ATOM 0 HA LEU A 6 7.812 -14.205 -11.144 1.00 1.32 H new ATOM 0 HB2 LEU A 6 6.219 -11.636 -10.852 1.00 1.47 H new ATOM 0 HB3 LEU A 6 7.921 -11.837 -10.490 1.00 1.47 H new ATOM 0 HG LEU A 6 6.815 -12.440 -13.259 1.00 1.43 H new ATOM 0 HD11 LEU A 6 7.517 -10.114 -13.872 1.00 1.86 H new ATOM 0 HD12 LEU A 6 6.234 -10.089 -12.638 1.00 1.86 H new ATOM 0 HD13 LEU A 6 7.926 -9.797 -12.169 1.00 1.86 H new ATOM 0 HD21 LEU A 6 9.147 -11.988 -13.954 1.00 1.92 H new ATOM 0 HD22 LEU A 6 9.588 -11.660 -12.261 1.00 1.92 H new ATOM 0 HD23 LEU A 6 9.074 -13.294 -12.747 1.00 1.92 H new ATOM 88 N THR A 7 7.225 -13.442 -8.435 1.00 1.48 N ATOM 89 CA THR A 7 6.910 -13.723 -7.036 1.00 1.57 C ATOM 90 C THR A 7 5.447 -13.378 -6.752 1.00 1.37 C ATOM 91 O THR A 7 4.955 -12.373 -7.249 1.00 1.30 O ATOM 92 CB THR A 7 7.813 -12.884 -6.120 1.00 1.84 C ATOM 93 OG1 THR A 7 9.172 -13.118 -6.418 1.00 3.82 O ATOM 94 CG2 THR A 7 7.559 -13.116 -4.631 1.00 1.04 C ATOM 0 H THR A 7 7.961 -12.749 -8.573 1.00 1.48 H new ATOM 0 HA THR A 7 7.078 -14.783 -6.843 1.00 1.57 H new ATOM 0 HB THR A 7 7.561 -11.843 -6.321 1.00 1.84 H new ATOM 0 HG1 THR A 7 9.402 -12.677 -7.262 1.00 3.82 H new ATOM 0 HG21 THR A 7 8.233 -12.490 -4.045 1.00 1.04 H new ATOM 0 HG22 THR A 7 6.527 -12.859 -4.394 1.00 1.04 H new ATOM 0 HG23 THR A 7 7.736 -14.164 -4.391 1.00 1.04 H new ATOM 102 N GLU A 8 4.784 -14.150 -5.886 1.00 1.57 N ATOM 103 CA GLU A 8 3.456 -13.860 -5.354 1.00 1.51 C ATOM 104 C GLU A 8 3.246 -12.352 -5.136 1.00 1.27 C ATOM 105 O GLU A 8 2.450 -11.709 -5.815 1.00 1.30 O ATOM 106 CB GLU A 8 3.307 -14.659 -4.052 1.00 1.88 C ATOM 107 CG GLU A 8 1.964 -14.440 -3.355 1.00 1.67 C ATOM 108 CD GLU A 8 1.931 -15.212 -2.043 1.00 2.12 C ATOM 109 OE1 GLU A 8 2.778 -14.886 -1.180 1.00 3.70 O ATOM 110 OE2 GLU A 8 1.097 -16.134 -1.934 1.00 2.01 O ATOM 0 H GLU A 8 5.173 -15.022 -5.526 1.00 1.57 H new ATOM 0 HA GLU A 8 2.686 -14.157 -6.066 1.00 1.51 H new ATOM 0 HB2 GLU A 8 3.426 -15.720 -4.270 1.00 1.88 H new ATOM 0 HB3 GLU A 8 4.111 -14.382 -3.370 1.00 1.88 H new ATOM 0 HG2 GLU A 8 1.811 -13.377 -3.166 1.00 1.67 H new ATOM 0 HG3 GLU A 8 1.151 -14.769 -4.002 1.00 1.67 H new ATOM 117 N LEU A 9 3.981 -11.765 -4.190 1.00 1.07 N ATOM 118 CA LEU A 9 3.855 -10.344 -3.923 1.00 0.91 C ATOM 119 C LEU A 9 4.264 -9.467 -5.122 1.00 0.79 C ATOM 120 O LEU A 9 3.637 -8.425 -5.300 1.00 0.70 O ATOM 121 CB LEU A 9 4.542 -9.980 -2.598 1.00 0.76 C ATOM 122 CG LEU A 9 3.839 -10.613 -1.372 1.00 1.08 C ATOM 123 CD1 LEU A 9 4.626 -10.344 -0.086 1.00 1.13 C ATOM 124 CD2 LEU A 9 2.426 -10.057 -1.155 1.00 2.09 C ATOM 0 H LEU A 9 4.661 -12.251 -3.605 1.00 1.07 H new ATOM 0 HA LEU A 9 2.797 -10.115 -3.791 1.00 0.91 H new ATOM 0 HB2 LEU A 9 5.580 -10.310 -2.628 1.00 0.76 H new ATOM 0 HB3 LEU A 9 4.556 -8.896 -2.485 1.00 0.76 H new ATOM 0 HG LEU A 9 3.786 -11.681 -1.586 1.00 1.08 H new ATOM 0 HD11 LEU A 9 4.109 -10.800 0.759 1.00 1.13 H new ATOM 0 HD12 LEU A 9 5.625 -10.772 -0.174 1.00 1.13 H new ATOM 0 HD13 LEU A 9 4.705 -9.269 0.074 1.00 1.13 H new ATOM 0 HD21 LEU A 9 1.977 -10.534 -0.283 1.00 2.09 H new ATOM 0 HD22 LEU A 9 2.480 -8.980 -0.993 1.00 2.09 H new ATOM 0 HD23 LEU A 9 1.816 -10.261 -2.035 1.00 2.09 H new ATOM 136 N GLU A 10 5.237 -9.861 -5.966 1.00 0.83 N ATOM 137 CA GLU A 10 5.483 -9.194 -7.248 1.00 0.75 C ATOM 138 C GLU A 10 4.201 -9.101 -8.090 1.00 0.66 C ATOM 139 O GLU A 10 3.871 -8.007 -8.549 1.00 0.63 O ATOM 140 CB GLU A 10 6.639 -9.813 -8.049 1.00 0.95 C ATOM 141 CG GLU A 10 8.001 -9.459 -7.434 1.00 1.07 C ATOM 142 CD GLU A 10 9.164 -10.178 -8.114 1.00 1.38 C ATOM 143 OE1 GLU A 10 9.019 -11.397 -8.360 1.00 1.96 O ATOM 144 OE2 GLU A 10 10.196 -9.516 -8.342 1.00 2.25 O ATOM 0 H GLU A 10 5.865 -10.642 -5.777 1.00 0.83 H new ATOM 0 HA GLU A 10 5.800 -8.181 -7.001 1.00 0.75 H new ATOM 0 HB2 GLU A 10 6.523 -10.896 -8.080 1.00 0.95 H new ATOM 0 HB3 GLU A 10 6.600 -9.459 -9.079 1.00 0.95 H new ATOM 0 HG2 GLU A 10 8.156 -8.382 -7.502 1.00 1.07 H new ATOM 0 HG3 GLU A 10 7.993 -9.713 -6.374 1.00 1.07 H new ATOM 151 N GLU A 11 3.465 -10.209 -8.263 1.00 0.65 N ATOM 152 CA GLU A 11 2.178 -10.199 -8.961 1.00 0.61 C ATOM 153 C GLU A 11 1.317 -9.071 -8.378 1.00 0.54 C ATOM 154 O GLU A 11 0.785 -8.225 -9.099 1.00 0.60 O ATOM 155 CB GLU A 11 1.406 -11.525 -8.801 1.00 0.68 C ATOM 156 CG GLU A 11 2.145 -12.813 -9.190 1.00 1.53 C ATOM 157 CD GLU A 11 2.218 -13.009 -10.698 1.00 2.32 C ATOM 158 OE1 GLU A 11 1.141 -13.224 -11.292 1.00 3.04 O ATOM 159 OE2 GLU A 11 3.349 -12.959 -11.224 1.00 3.08 O ATOM 0 H GLU A 11 3.746 -11.129 -7.924 1.00 0.65 H new ATOM 0 HA GLU A 11 2.380 -10.054 -10.022 1.00 0.61 H new ATOM 0 HB2 GLU A 11 1.097 -11.613 -7.760 1.00 0.68 H new ATOM 0 HB3 GLU A 11 0.497 -11.462 -9.399 1.00 0.68 H new ATOM 0 HG2 GLU A 11 3.155 -12.787 -8.781 1.00 1.53 H new ATOM 0 HG3 GLU A 11 1.641 -13.668 -8.739 1.00 1.53 H new ATOM 166 N SER A 12 1.191 -9.068 -7.046 1.00 0.56 N ATOM 167 CA SER A 12 0.335 -8.122 -6.348 1.00 0.66 C ATOM 168 C SER A 12 0.762 -6.673 -6.600 1.00 0.60 C ATOM 169 O SER A 12 -0.055 -5.838 -6.987 1.00 0.65 O ATOM 170 CB SER A 12 0.313 -8.445 -4.851 1.00 0.89 C ATOM 171 OG SER A 12 0.059 -9.825 -4.673 1.00 1.99 O ATOM 0 H SER A 12 1.679 -9.720 -6.431 1.00 0.56 H new ATOM 0 HA SER A 12 -0.676 -8.222 -6.743 1.00 0.66 H new ATOM 0 HB2 SER A 12 1.267 -8.178 -4.396 1.00 0.89 H new ATOM 0 HB3 SER A 12 -0.455 -7.855 -4.351 1.00 0.89 H new ATOM 0 HG SER A 12 0.046 -10.034 -3.716 1.00 1.99 H new ATOM 177 N ILE A 13 2.036 -6.348 -6.364 1.00 0.56 N ATOM 178 CA ILE A 13 2.509 -4.978 -6.505 1.00 0.57 C ATOM 179 C ILE A 13 2.405 -4.544 -7.966 1.00 0.51 C ATOM 180 O ILE A 13 1.958 -3.428 -8.237 1.00 0.54 O ATOM 181 CB ILE A 13 3.860 -4.749 -5.783 1.00 0.65 C ATOM 182 CG1 ILE A 13 4.986 -5.706 -6.182 1.00 0.67 C ATOM 183 CG2 ILE A 13 3.570 -4.921 -4.286 1.00 0.80 C ATOM 184 CD1 ILE A 13 5.861 -5.176 -7.310 1.00 0.64 C ATOM 0 H ILE A 13 2.752 -7.015 -6.076 1.00 0.56 H new ATOM 0 HA ILE A 13 1.858 -4.287 -5.970 1.00 0.57 H new ATOM 0 HB ILE A 13 4.224 -3.760 -6.061 1.00 0.65 H new ATOM 0 HG12 ILE A 13 5.610 -5.904 -5.311 1.00 0.67 H new ATOM 0 HG13 ILE A 13 4.552 -6.659 -6.486 1.00 0.67 H new ATOM 0 HG21 ILE A 13 4.488 -4.771 -3.718 1.00 0.80 H new ATOM 0 HG22 ILE A 13 2.826 -4.188 -3.973 1.00 0.80 H new ATOM 0 HG23 ILE A 13 3.190 -5.926 -4.102 1.00 0.80 H new ATOM 0 HD11 ILE A 13 6.638 -5.905 -7.541 1.00 0.64 H new ATOM 0 HD12 ILE A 13 5.249 -5.005 -8.196 1.00 0.64 H new ATOM 0 HD13 ILE A 13 6.323 -4.238 -7.002 1.00 0.64 H new ATOM 196 N GLU A 14 2.699 -5.433 -8.921 1.00 0.48 N ATOM 197 CA GLU A 14 2.514 -5.092 -10.321 1.00 0.50 C ATOM 198 C GLU A 14 1.039 -4.807 -10.633 1.00 0.53 C ATOM 199 O GLU A 14 0.737 -3.766 -11.217 1.00 0.55 O ATOM 200 CB GLU A 14 3.122 -6.144 -11.256 1.00 0.56 C ATOM 201 CG GLU A 14 3.371 -5.487 -12.623 1.00 0.68 C ATOM 202 CD GLU A 14 3.896 -6.478 -13.649 1.00 1.67 C ATOM 203 OE1 GLU A 14 5.117 -6.735 -13.608 1.00 3.03 O ATOM 204 OE2 GLU A 14 3.067 -6.937 -14.463 1.00 2.31 O ATOM 0 H GLU A 14 3.058 -6.372 -8.749 1.00 0.48 H new ATOM 0 HA GLU A 14 3.063 -4.169 -10.510 1.00 0.50 H new ATOM 0 HB2 GLU A 14 4.055 -6.526 -10.842 1.00 0.56 H new ATOM 0 HB3 GLU A 14 2.448 -6.994 -11.360 1.00 0.56 H new ATOM 0 HG2 GLU A 14 2.443 -5.047 -12.987 1.00 0.68 H new ATOM 0 HG3 GLU A 14 4.086 -4.673 -12.508 1.00 0.68 H new ATOM 211 N THR A 15 0.108 -5.690 -10.243 1.00 0.56 N ATOM 212 CA THR A 15 -1.296 -5.532 -10.632 1.00 0.60 C ATOM 213 C THR A 15 -1.876 -4.193 -10.143 1.00 0.65 C ATOM 214 O THR A 15 -2.681 -3.562 -10.832 1.00 0.78 O ATOM 215 CB THR A 15 -2.160 -6.763 -10.286 1.00 0.68 C ATOM 216 OG1 THR A 15 -3.238 -6.855 -11.198 1.00 1.20 O ATOM 217 CG2 THR A 15 -2.752 -6.781 -8.875 1.00 0.81 C ATOM 0 H THR A 15 0.300 -6.509 -9.667 1.00 0.56 H new ATOM 0 HA THR A 15 -1.325 -5.484 -11.721 1.00 0.60 H new ATOM 0 HB THR A 15 -1.472 -7.606 -10.348 1.00 0.68 H new ATOM 0 HG1 THR A 15 -3.786 -7.638 -10.979 1.00 1.20 H new ATOM 0 HG21 THR A 15 -3.340 -7.689 -8.739 1.00 0.81 H new ATOM 0 HG22 THR A 15 -1.946 -6.757 -8.142 1.00 0.81 H new ATOM 0 HG23 THR A 15 -3.392 -5.910 -8.738 1.00 0.81 H new ATOM 225 N VAL A 16 -1.447 -3.717 -8.970 1.00 0.61 N ATOM 226 CA VAL A 16 -1.859 -2.402 -8.492 1.00 0.68 C ATOM 227 C VAL A 16 -1.086 -1.291 -9.214 1.00 0.66 C ATOM 228 O VAL A 16 -1.691 -0.291 -9.598 1.00 0.73 O ATOM 229 CB VAL A 16 -1.840 -2.281 -6.958 1.00 0.71 C ATOM 230 CG1 VAL A 16 -2.741 -3.348 -6.322 1.00 0.73 C ATOM 231 CG2 VAL A 16 -0.442 -2.357 -6.345 1.00 0.68 C ATOM 0 H VAL A 16 -0.820 -4.220 -8.342 1.00 0.61 H new ATOM 0 HA VAL A 16 -2.909 -2.272 -8.753 1.00 0.68 H new ATOM 0 HB VAL A 16 -2.222 -1.284 -6.739 1.00 0.71 H new ATOM 0 HG11 VAL A 16 -2.715 -3.247 -5.237 1.00 0.73 H new ATOM 0 HG12 VAL A 16 -3.764 -3.217 -6.674 1.00 0.73 H new ATOM 0 HG13 VAL A 16 -2.385 -4.339 -6.603 1.00 0.73 H new ATOM 0 HG21 VAL A 16 -0.514 -2.264 -5.261 1.00 0.68 H new ATOM 0 HG22 VAL A 16 0.014 -3.314 -6.597 1.00 0.68 H new ATOM 0 HG23 VAL A 16 0.172 -1.547 -6.739 1.00 0.68 H new ATOM 241 N VAL A 17 0.226 -1.454 -9.438 1.00 0.60 N ATOM 242 CA VAL A 17 1.022 -0.489 -10.194 1.00 0.59 C ATOM 243 C VAL A 17 0.395 -0.222 -11.565 1.00 0.67 C ATOM 244 O VAL A 17 0.247 0.934 -11.950 1.00 0.76 O ATOM 245 CB VAL A 17 2.492 -0.939 -10.299 1.00 0.52 C ATOM 246 CG1 VAL A 17 3.273 -0.187 -11.387 1.00 0.55 C ATOM 247 CG2 VAL A 17 3.209 -0.690 -8.967 1.00 0.52 C ATOM 0 H VAL A 17 0.759 -2.256 -9.100 1.00 0.60 H new ATOM 0 HA VAL A 17 1.022 0.456 -9.651 1.00 0.59 H new ATOM 0 HB VAL A 17 2.467 -1.998 -10.556 1.00 0.52 H new ATOM 0 HG11 VAL A 17 4.301 -0.548 -11.412 1.00 0.55 H new ATOM 0 HG12 VAL A 17 2.804 -0.359 -12.356 1.00 0.55 H new ATOM 0 HG13 VAL A 17 3.269 0.880 -11.166 1.00 0.55 H new ATOM 0 HG21 VAL A 17 4.248 -1.010 -9.048 1.00 0.52 H new ATOM 0 HG22 VAL A 17 3.174 0.373 -8.728 1.00 0.52 H new ATOM 0 HG23 VAL A 17 2.715 -1.256 -8.177 1.00 0.52 H new ATOM 257 N THR A 18 0.014 -1.258 -12.312 1.00 0.68 N ATOM 258 CA THR A 18 -0.600 -1.055 -13.621 1.00 0.76 C ATOM 259 C THR A 18 -1.929 -0.296 -13.491 1.00 0.82 C ATOM 260 O THR A 18 -2.184 0.630 -14.265 1.00 0.88 O ATOM 261 CB THR A 18 -0.695 -2.373 -14.409 1.00 0.78 C ATOM 262 OG1 THR A 18 -1.164 -2.136 -15.722 1.00 0.87 O ATOM 263 CG2 THR A 18 -1.575 -3.423 -13.735 1.00 0.75 C ATOM 0 H THR A 18 0.118 -2.235 -12.036 1.00 0.68 H new ATOM 0 HA THR A 18 0.047 -0.414 -14.220 1.00 0.76 H new ATOM 0 HB THR A 18 0.317 -2.776 -14.439 1.00 0.78 H new ATOM 0 HG1 THR A 18 -1.217 -2.985 -16.209 1.00 0.87 H new ATOM 0 HG21 THR A 18 -1.597 -4.326 -14.345 1.00 0.75 H new ATOM 0 HG22 THR A 18 -1.170 -3.660 -12.751 1.00 0.75 H new ATOM 0 HG23 THR A 18 -2.587 -3.034 -13.627 1.00 0.75 H new ATOM 271 N THR A 19 -2.768 -0.648 -12.509 1.00 0.82 N ATOM 272 CA THR A 19 -4.038 0.023 -12.282 1.00 0.90 C ATOM 273 C THR A 19 -3.792 1.512 -11.989 1.00 0.98 C ATOM 274 O THR A 19 -4.358 2.377 -12.651 1.00 1.05 O ATOM 275 CB THR A 19 -4.811 -0.736 -11.190 1.00 0.89 C ATOM 276 OG1 THR A 19 -4.912 -2.094 -11.570 1.00 0.81 O ATOM 277 CG2 THR A 19 -6.238 -0.218 -11.008 1.00 1.05 C ATOM 0 H THR A 19 -2.579 -1.407 -11.854 1.00 0.82 H new ATOM 0 HA THR A 19 -4.671 0.007 -13.169 1.00 0.90 H new ATOM 0 HB THR A 19 -4.266 -0.597 -10.257 1.00 0.89 H new ATOM 0 HG1 THR A 19 -4.097 -2.569 -11.306 1.00 0.81 H new ATOM 0 HG21 THR A 19 -6.736 -0.790 -10.225 1.00 1.05 H new ATOM 0 HG22 THR A 19 -6.210 0.835 -10.726 1.00 1.05 H new ATOM 0 HG23 THR A 19 -6.787 -0.328 -11.943 1.00 1.05 H new ATOM 285 N PHE A 20 -2.885 1.817 -11.056 1.00 0.97 N ATOM 286 CA PHE A 20 -2.385 3.173 -10.830 1.00 0.98 C ATOM 287 C PHE A 20 -1.989 3.830 -12.158 1.00 0.99 C ATOM 288 O PHE A 20 -2.483 4.901 -12.510 1.00 1.03 O ATOM 289 CB PHE A 20 -1.201 3.119 -9.847 1.00 0.95 C ATOM 290 CG PHE A 20 -0.182 4.239 -9.975 1.00 1.16 C ATOM 291 CD1 PHE A 20 -0.470 5.522 -9.483 1.00 2.52 C ATOM 292 CD2 PHE A 20 1.036 4.015 -10.646 1.00 2.18 C ATOM 293 CE1 PHE A 20 0.506 6.532 -9.530 1.00 3.07 C ATOM 294 CE2 PHE A 20 1.934 5.075 -10.849 1.00 2.94 C ATOM 295 CZ PHE A 20 1.686 6.329 -10.264 1.00 2.89 C ATOM 0 H PHE A 20 -2.475 1.122 -10.432 1.00 0.97 H new ATOM 0 HA PHE A 20 -3.172 3.786 -10.391 1.00 0.98 H new ATOM 0 HB2 PHE A 20 -1.596 3.128 -8.831 1.00 0.95 H new ATOM 0 HB3 PHE A 20 -0.686 2.168 -9.981 1.00 0.95 H new ATOM 0 HD1 PHE A 20 -1.444 5.733 -9.067 1.00 2.52 H new ATOM 0 HD2 PHE A 20 1.280 3.026 -11.005 1.00 2.18 H new ATOM 0 HE1 PHE A 20 0.349 7.462 -9.003 1.00 3.07 H new ATOM 0 HE2 PHE A 20 2.816 4.927 -11.455 1.00 2.94 H new ATOM 0 HZ PHE A 20 2.399 7.132 -10.378 1.00 2.89 H new ATOM 305 N PHE A 21 -1.082 3.187 -12.894 1.00 0.96 N ATOM 306 CA PHE A 21 -0.447 3.774 -14.058 1.00 1.00 C ATOM 307 C PHE A 21 -1.478 4.140 -15.123 1.00 1.07 C ATOM 308 O PHE A 21 -1.432 5.243 -15.669 1.00 1.10 O ATOM 309 CB PHE A 21 0.632 2.840 -14.610 1.00 1.01 C ATOM 310 CG PHE A 21 1.440 3.466 -15.729 1.00 1.27 C ATOM 311 CD1 PHE A 21 2.313 4.534 -15.447 1.00 2.29 C ATOM 312 CD2 PHE A 21 1.248 3.054 -17.062 1.00 2.54 C ATOM 313 CE1 PHE A 21 3.006 5.173 -16.489 1.00 2.84 C ATOM 314 CE2 PHE A 21 1.940 3.695 -18.104 1.00 3.29 C ATOM 315 CZ PHE A 21 2.819 4.755 -17.819 1.00 2.99 C ATOM 0 H PHE A 21 -0.770 2.237 -12.692 1.00 0.96 H new ATOM 0 HA PHE A 21 0.040 4.700 -13.753 1.00 1.00 H new ATOM 0 HB2 PHE A 21 1.304 2.552 -13.801 1.00 1.01 H new ATOM 0 HB3 PHE A 21 0.162 1.927 -14.975 1.00 1.01 H new ATOM 0 HD1 PHE A 21 2.450 4.863 -14.427 1.00 2.29 H new ATOM 0 HD2 PHE A 21 0.568 2.245 -17.284 1.00 2.54 H new ATOM 0 HE1 PHE A 21 3.683 5.985 -16.269 1.00 2.84 H new ATOM 0 HE2 PHE A 21 1.796 3.373 -19.125 1.00 3.29 H new ATOM 0 HZ PHE A 21 3.350 5.248 -18.620 1.00 2.99 H new ATOM 325 N THR A 22 -2.429 3.244 -15.412 1.00 1.13 N ATOM 326 CA THR A 22 -3.436 3.548 -16.420 1.00 1.23 C ATOM 327 C THR A 22 -4.262 4.776 -16.012 1.00 1.26 C ATOM 328 O THR A 22 -4.637 5.562 -16.876 1.00 1.40 O ATOM 329 CB THR A 22 -4.256 2.313 -16.835 1.00 1.28 C ATOM 330 OG1 THR A 22 -4.775 2.487 -18.147 1.00 1.92 O ATOM 331 CG2 THR A 22 -5.413 1.980 -15.893 1.00 2.53 C ATOM 0 H THR A 22 -2.518 2.328 -14.973 1.00 1.13 H new ATOM 0 HA THR A 22 -2.928 3.831 -17.342 1.00 1.23 H new ATOM 0 HB THR A 22 -3.559 1.476 -16.791 1.00 1.28 H new ATOM 0 HG1 THR A 22 -5.629 2.013 -18.227 1.00 1.92 H new ATOM 0 HG21 THR A 22 -5.938 1.097 -16.259 1.00 2.53 H new ATOM 0 HG22 THR A 22 -5.024 1.783 -14.894 1.00 2.53 H new ATOM 0 HG23 THR A 22 -6.104 2.822 -15.853 1.00 2.53 H new ATOM 339 N PHE A 23 -4.495 5.010 -14.717 1.00 1.21 N ATOM 340 CA PHE A 23 -5.053 6.295 -14.306 1.00 1.22 C ATOM 341 C PHE A 23 -4.027 7.410 -14.482 1.00 1.05 C ATOM 342 O PHE A 23 -4.350 8.465 -14.997 1.00 1.12 O ATOM 343 CB PHE A 23 -5.590 6.255 -12.870 1.00 1.35 C ATOM 344 CG PHE A 23 -6.737 5.285 -12.673 1.00 1.25 C ATOM 345 CD1 PHE A 23 -7.937 5.469 -13.384 1.00 1.88 C ATOM 346 CD2 PHE A 23 -6.597 4.181 -11.813 1.00 2.49 C ATOM 347 CE1 PHE A 23 -8.978 4.533 -13.265 1.00 2.13 C ATOM 348 CE2 PHE A 23 -7.635 3.241 -11.708 1.00 3.03 C ATOM 349 CZ PHE A 23 -8.835 3.432 -12.407 1.00 2.37 C ATOM 0 H PHE A 23 -4.313 4.350 -13.961 1.00 1.21 H new ATOM 0 HA PHE A 23 -5.902 6.506 -14.956 1.00 1.22 H new ATOM 0 HB2 PHE A 23 -4.778 5.984 -12.196 1.00 1.35 H new ATOM 0 HB3 PHE A 23 -5.919 7.255 -12.587 1.00 1.35 H new ATOM 0 HD1 PHE A 23 -8.058 6.332 -14.023 1.00 1.88 H new ATOM 0 HD2 PHE A 23 -5.693 4.056 -11.235 1.00 2.49 H new ATOM 0 HE1 PHE A 23 -9.887 4.661 -13.833 1.00 2.13 H new ATOM 0 HE2 PHE A 23 -7.508 2.367 -11.086 1.00 3.03 H new ATOM 0 HZ PHE A 23 -9.649 2.732 -12.285 1.00 2.37 H new ATOM 359 N ALA A 24 -2.777 7.192 -14.091 1.00 0.90 N ATOM 360 CA ALA A 24 -1.738 8.210 -14.027 1.00 0.86 C ATOM 361 C ALA A 24 -1.643 9.003 -15.323 1.00 0.95 C ATOM 362 O ALA A 24 -1.408 10.215 -15.294 1.00 1.05 O ATOM 363 CB ALA A 24 -0.385 7.576 -13.684 1.00 0.70 C ATOM 0 H ALA A 24 -2.449 6.271 -13.800 1.00 0.90 H new ATOM 0 HA ALA A 24 -2.011 8.908 -13.235 1.00 0.86 H new ATOM 0 HB1 ALA A 24 0.380 8.352 -13.640 1.00 0.70 H new ATOM 0 HB2 ALA A 24 -0.452 7.077 -12.717 1.00 0.70 H new ATOM 0 HB3 ALA A 24 -0.120 6.848 -14.450 1.00 0.70 H new ATOM 369 N ARG A 25 -1.806 8.302 -16.445 1.00 0.97 N ATOM 370 CA ARG A 25 -1.700 8.868 -17.783 1.00 1.09 C ATOM 371 C ARG A 25 -2.916 9.707 -18.201 1.00 1.08 C ATOM 372 O ARG A 25 -2.784 10.459 -19.163 1.00 1.17 O ATOM 373 CB ARG A 25 -1.446 7.751 -18.811 1.00 1.15 C ATOM 374 CG ARG A 25 -2.518 6.663 -18.693 1.00 1.80 C ATOM 375 CD ARG A 25 -2.760 5.840 -19.964 1.00 2.01 C ATOM 376 NE ARG A 25 -3.936 4.969 -19.776 1.00 2.88 N ATOM 377 CZ ARG A 25 -5.200 5.412 -19.646 1.00 3.49 C ATOM 378 NH1 ARG A 25 -5.509 6.674 -19.960 1.00 3.87 N ATOM 379 NH2 ARG A 25 -6.136 4.592 -19.164 1.00 4.57 N ATOM 0 H ARG A 25 -2.020 7.305 -16.445 1.00 0.97 H new ATOM 0 HA ARG A 25 -0.854 9.555 -17.757 1.00 1.09 H new ATOM 0 HB2 ARG A 25 -1.451 8.167 -19.818 1.00 1.15 H new ATOM 0 HB3 ARG A 25 -0.459 7.317 -18.650 1.00 1.15 H new ATOM 0 HG2 ARG A 25 -2.236 5.984 -17.889 1.00 1.80 H new ATOM 0 HG3 ARG A 25 -3.457 7.132 -18.399 1.00 1.80 H new ATOM 0 HD2 ARG A 25 -2.919 6.504 -20.814 1.00 2.01 H new ATOM 0 HD3 ARG A 25 -1.881 5.237 -20.191 1.00 2.01 H new ATOM 0 HE ARG A 25 -3.780 3.962 -19.742 1.00 2.88 H new ATOM 0 HH11 ARG A 25 -4.785 7.307 -20.300 1.00 3.87 H new ATOM 0 HH12 ARG A 25 -6.469 7.004 -19.859 1.00 3.87 H new ATOM 0 HH21 ARG A 25 -5.891 3.638 -18.898 1.00 4.57 H new ATOM 0 HH22 ARG A 25 -7.097 4.919 -19.062 1.00 4.57 H new ATOM 393 N GLN A 26 -4.094 9.544 -17.576 1.00 1.00 N ATOM 394 CA GLN A 26 -5.351 10.078 -18.082 1.00 0.97 C ATOM 395 C GLN A 26 -5.248 11.553 -18.503 1.00 1.07 C ATOM 396 O GLN A 26 -5.549 11.919 -19.637 1.00 1.20 O ATOM 397 CB GLN A 26 -6.405 9.934 -16.975 1.00 0.91 C ATOM 398 CG GLN A 26 -7.829 9.924 -17.493 1.00 1.06 C ATOM 399 CD GLN A 26 -8.316 8.593 -18.065 1.00 1.36 C ATOM 400 OE1 GLN A 26 -7.576 7.867 -18.732 1.00 1.54 O ATOM 401 NE2 GLN A 26 -9.584 8.270 -17.845 1.00 2.33 N ATOM 0 H GLN A 26 -4.192 9.032 -16.699 1.00 1.00 H new ATOM 0 HA GLN A 26 -5.625 9.517 -18.975 1.00 0.97 H new ATOM 0 HB2 GLN A 26 -6.220 9.011 -16.426 1.00 0.91 H new ATOM 0 HB3 GLN A 26 -6.290 10.754 -16.266 1.00 0.91 H new ATOM 0 HG2 GLN A 26 -8.494 10.214 -16.680 1.00 1.06 H new ATOM 0 HG3 GLN A 26 -7.920 10.686 -18.267 1.00 1.06 H new ATOM 0 HE21 GLN A 26 -10.178 8.886 -17.290 1.00 2.33 H new ATOM 0 HE22 GLN A 26 -9.964 7.406 -18.231 1.00 2.33 H new ATOM 410 N GLU A 27 -4.850 12.382 -17.542 1.00 1.07 N ATOM 411 CA GLU A 27 -4.811 13.827 -17.558 1.00 1.32 C ATOM 412 C GLU A 27 -3.362 14.211 -17.322 1.00 1.36 C ATOM 413 O GLU A 27 -2.888 14.241 -16.174 1.00 2.08 O ATOM 414 CB GLU A 27 -5.710 14.368 -16.444 1.00 1.46 C ATOM 415 CG GLU A 27 -7.166 14.003 -16.742 1.00 1.44 C ATOM 416 CD GLU A 27 -8.100 14.322 -15.592 1.00 2.11 C ATOM 417 OE1 GLU A 27 -7.615 14.543 -14.458 1.00 2.69 O ATOM 418 OE2 GLU A 27 -9.315 14.284 -15.876 1.00 3.13 O ATOM 0 H GLU A 27 -4.516 12.016 -16.651 1.00 1.07 H new ATOM 0 HA GLU A 27 -5.170 14.241 -18.500 1.00 1.32 H new ATOM 0 HB2 GLU A 27 -5.408 13.950 -15.483 1.00 1.46 H new ATOM 0 HB3 GLU A 27 -5.603 15.450 -16.369 1.00 1.46 H new ATOM 0 HG2 GLU A 27 -7.496 14.540 -17.631 1.00 1.44 H new ATOM 0 HG3 GLU A 27 -7.229 12.939 -16.971 1.00 1.44 H new ATOM 425 N GLY A 28 -2.655 14.405 -18.439 1.00 1.23 N ATOM 426 CA GLY A 28 -1.237 14.705 -18.502 1.00 1.43 C ATOM 427 C GLY A 28 -0.405 13.762 -17.638 1.00 1.29 C ATOM 428 O GLY A 28 -0.933 12.832 -17.018 1.00 1.71 O ATOM 0 H GLY A 28 -3.084 14.353 -19.363 1.00 1.23 H new ATOM 0 HA2 GLY A 28 -0.900 14.639 -19.536 1.00 1.43 H new ATOM 0 HA3 GLY A 28 -1.071 15.732 -18.178 1.00 1.43 H new ATOM 432 N ARG A 29 0.896 14.061 -17.557 1.00 1.21 N ATOM 433 CA ARG A 29 1.838 13.536 -16.577 1.00 1.36 C ATOM 434 C ARG A 29 1.473 12.125 -16.096 1.00 1.24 C ATOM 435 O ARG A 29 0.657 11.988 -15.172 1.00 1.21 O ATOM 436 CB ARG A 29 1.901 14.490 -15.381 1.00 1.79 C ATOM 437 CG ARG A 29 2.558 15.849 -15.652 1.00 2.54 C ATOM 438 CD ARG A 29 4.076 15.721 -15.855 1.00 1.86 C ATOM 439 NE ARG A 29 4.790 16.862 -15.256 1.00 2.87 N ATOM 440 CZ ARG A 29 4.923 18.084 -15.796 1.00 3.48 C ATOM 441 NH1 ARG A 29 4.372 18.348 -16.985 1.00 3.66 N ATOM 442 NH2 ARG A 29 5.605 19.032 -15.144 1.00 4.75 N ATOM 0 H ARG A 29 1.338 14.709 -18.209 1.00 1.21 H new ATOM 0 HA ARG A 29 2.811 13.462 -17.064 1.00 1.36 H new ATOM 0 HB2 ARG A 29 0.886 14.662 -15.022 1.00 1.79 H new ATOM 0 HB3 ARG A 29 2.445 13.998 -14.575 1.00 1.79 H new ATOM 0 HG2 ARG A 29 2.110 16.299 -16.538 1.00 2.54 H new ATOM 0 HG3 ARG A 29 2.359 16.522 -14.818 1.00 2.54 H new ATOM 0 HD2 ARG A 29 4.429 14.792 -15.407 1.00 1.86 H new ATOM 0 HD3 ARG A 29 4.300 15.667 -16.920 1.00 1.86 H new ATOM 0 HE ARG A 29 5.224 16.709 -14.346 1.00 2.87 H new ATOM 0 HH11 ARG A 29 3.853 17.622 -17.479 1.00 3.66 H new ATOM 0 HH12 ARG A 29 4.471 19.275 -17.398 1.00 3.66 H new ATOM 0 HH21 ARG A 29 6.024 18.826 -14.237 1.00 4.75 H new ATOM 0 HH22 ARG A 29 5.706 19.961 -15.554 1.00 4.75 H new ATOM 456 N LYS A 30 2.096 11.097 -16.680 1.00 1.30 N ATOM 457 CA LYS A 30 1.922 9.687 -16.332 1.00 1.31 C ATOM 458 C LYS A 30 2.728 9.378 -15.063 1.00 1.40 C ATOM 459 O LYS A 30 3.434 8.376 -14.970 1.00 1.60 O ATOM 460 CB LYS A 30 2.322 8.804 -17.528 1.00 1.45 C ATOM 461 CG LYS A 30 3.816 8.875 -17.907 1.00 1.65 C ATOM 462 CD LYS A 30 4.118 9.817 -19.081 1.00 2.94 C ATOM 463 CE LYS A 30 5.632 10.079 -19.166 1.00 3.62 C ATOM 464 NZ LYS A 30 6.068 11.154 -18.250 1.00 5.60 N ATOM 0 H LYS A 30 2.763 11.232 -17.440 1.00 1.30 H new ATOM 0 HA LYS A 30 0.877 9.468 -16.115 1.00 1.31 H new ATOM 0 HB2 LYS A 30 2.067 7.769 -17.300 1.00 1.45 H new ATOM 0 HB3 LYS A 30 1.727 9.096 -18.393 1.00 1.45 H new ATOM 0 HG2 LYS A 30 4.386 9.201 -17.037 1.00 1.65 H new ATOM 0 HG3 LYS A 30 4.164 7.873 -18.159 1.00 1.65 H new ATOM 0 HD2 LYS A 30 3.763 9.376 -20.013 1.00 2.94 H new ATOM 0 HD3 LYS A 30 3.584 10.758 -18.950 1.00 2.94 H new ATOM 0 HE2 LYS A 30 6.171 9.162 -18.929 1.00 3.62 H new ATOM 0 HE3 LYS A 30 5.895 10.348 -20.189 1.00 3.62 H new ATOM 0 HZ1 LYS A 30 6.701 11.806 -18.756 1.00 5.60 H new ATOM 0 HZ2 LYS A 30 5.237 11.676 -17.906 1.00 5.60 H new ATOM 0 HZ3 LYS A 30 6.574 10.738 -17.442 1.00 5.60 H new ATOM 478 N ASP A 31 2.671 10.324 -14.132 1.00 1.51 N ATOM 479 CA ASP A 31 3.752 10.694 -13.238 1.00 1.93 C ATOM 480 C ASP A 31 3.095 11.302 -12.000 1.00 1.84 C ATOM 481 O ASP A 31 3.359 10.887 -10.871 1.00 2.22 O ATOM 482 CB ASP A 31 4.701 11.724 -13.903 1.00 2.52 C ATOM 483 CG ASP A 31 5.121 11.427 -15.342 1.00 3.31 C ATOM 484 OD1 ASP A 31 6.058 10.642 -15.587 1.00 3.45 O ATOM 485 OD2 ASP A 31 4.534 12.001 -16.285 1.00 4.97 O ATOM 0 H ASP A 31 1.828 10.877 -13.976 1.00 1.51 H new ATOM 0 HA ASP A 31 4.359 9.824 -12.985 1.00 1.93 H new ATOM 0 HB2 ASP A 31 4.215 12.700 -13.883 1.00 2.52 H new ATOM 0 HB3 ASP A 31 5.601 11.803 -13.293 1.00 2.52 H new ATOM 490 N SER A 32 2.211 12.282 -12.239 1.00 1.56 N ATOM 491 CA SER A 32 1.358 12.906 -11.250 1.00 1.44 C ATOM 492 C SER A 32 -0.119 12.619 -11.536 1.00 1.26 C ATOM 493 O SER A 32 -0.591 12.613 -12.689 1.00 1.25 O ATOM 494 CB SER A 32 1.627 14.407 -11.215 1.00 1.64 C ATOM 495 OG SER A 32 1.619 14.954 -12.515 1.00 2.24 O ATOM 0 H SER A 32 2.075 12.669 -13.173 1.00 1.56 H new ATOM 0 HA SER A 32 1.587 12.484 -10.272 1.00 1.44 H new ATOM 0 HB2 SER A 32 0.871 14.901 -10.604 1.00 1.64 H new ATOM 0 HB3 SER A 32 2.591 14.596 -10.743 1.00 1.64 H new ATOM 0 HG SER A 32 2.142 15.783 -12.524 1.00 2.24 H new ATOM 501 N LEU A 33 -0.836 12.357 -10.443 1.00 1.14 N ATOM 502 CA LEU A 33 -2.237 11.989 -10.421 1.00 0.93 C ATOM 503 C LEU A 33 -3.050 13.224 -10.034 1.00 1.02 C ATOM 504 O LEU A 33 -2.855 13.771 -8.947 1.00 1.36 O ATOM 505 CB LEU A 33 -2.421 10.844 -9.420 1.00 1.06 C ATOM 506 CG LEU A 33 -2.058 9.452 -9.953 1.00 1.30 C ATOM 507 CD1 LEU A 33 -3.243 8.874 -10.721 1.00 1.47 C ATOM 508 CD2 LEU A 33 -0.766 9.428 -10.769 1.00 2.50 C ATOM 0 H LEU A 33 -0.429 12.400 -9.509 1.00 1.14 H new ATOM 0 HA LEU A 33 -2.582 11.645 -11.396 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -1.812 11.050 -8.540 1.00 1.06 H new ATOM 0 HB3 LEU A 33 -3.461 10.831 -9.092 1.00 1.06 H new ATOM 0 HG LEU A 33 -1.849 8.814 -9.094 1.00 1.30 H new ATOM 0 HD11 LEU A 33 -2.984 7.885 -11.099 1.00 1.47 H new ATOM 0 HD12 LEU A 33 -4.103 8.794 -10.057 1.00 1.47 H new ATOM 0 HD13 LEU A 33 -3.489 9.529 -11.557 1.00 1.47 H new ATOM 0 HD21 LEU A 33 -0.572 8.412 -11.113 1.00 2.50 H new ATOM 0 HD22 LEU A 33 -0.867 10.090 -11.629 1.00 2.50 H new ATOM 0 HD23 LEU A 33 0.063 9.765 -10.147 1.00 2.50 H new ATOM 520 N SER A 34 -3.918 13.671 -10.943 1.00 0.98 N ATOM 521 CA SER A 34 -4.814 14.811 -10.787 1.00 1.15 C ATOM 522 C SER A 34 -6.148 14.381 -10.152 1.00 1.11 C ATOM 523 O SER A 34 -6.370 13.196 -9.915 1.00 1.02 O ATOM 524 CB SER A 34 -5.005 15.443 -12.172 1.00 1.37 C ATOM 525 OG SER A 34 -3.729 15.723 -12.730 1.00 2.12 O ATOM 0 H SER A 34 -4.018 13.222 -11.854 1.00 0.98 H new ATOM 0 HA SER A 34 -4.386 15.549 -10.109 1.00 1.15 H new ATOM 0 HB2 SER A 34 -5.560 14.766 -12.822 1.00 1.37 H new ATOM 0 HB3 SER A 34 -5.590 16.359 -12.091 1.00 1.37 H new ATOM 0 HG SER A 34 -3.841 16.126 -13.616 1.00 2.12 H new ATOM 531 N VAL A 35 -7.041 15.333 -9.848 1.00 1.30 N ATOM 532 CA VAL A 35 -8.265 15.035 -9.100 1.00 1.37 C ATOM 533 C VAL A 35 -9.151 13.997 -9.793 1.00 1.36 C ATOM 534 O VAL A 35 -9.593 13.053 -9.143 1.00 1.33 O ATOM 535 CB VAL A 35 -9.070 16.297 -8.733 1.00 1.70 C ATOM 536 CG1 VAL A 35 -8.248 17.244 -7.857 1.00 2.00 C ATOM 537 CG2 VAL A 35 -9.636 17.045 -9.942 1.00 2.68 C ATOM 0 H VAL A 35 -6.937 16.314 -10.109 1.00 1.30 H new ATOM 0 HA VAL A 35 -7.922 14.591 -8.165 1.00 1.37 H new ATOM 0 HB VAL A 35 -9.929 15.937 -8.166 1.00 1.70 H new ATOM 0 HG11 VAL A 35 -8.843 18.125 -7.615 1.00 2.00 H new ATOM 0 HG12 VAL A 35 -7.964 16.734 -6.937 1.00 2.00 H new ATOM 0 HG13 VAL A 35 -7.350 17.549 -8.394 1.00 2.00 H new ATOM 0 HG21 VAL A 35 -10.189 17.920 -9.602 1.00 2.68 H new ATOM 0 HG22 VAL A 35 -8.818 17.361 -10.590 1.00 2.68 H new ATOM 0 HG23 VAL A 35 -10.304 16.387 -10.497 1.00 2.68 H new ATOM 547 N ASN A 36 -9.432 14.156 -11.091 1.00 1.48 N ATOM 548 CA ASN A 36 -10.303 13.209 -11.776 1.00 1.59 C ATOM 549 C ASN A 36 -9.602 11.860 -11.886 1.00 1.42 C ATOM 550 O ASN A 36 -10.195 10.865 -11.503 1.00 1.47 O ATOM 551 CB ASN A 36 -10.790 13.723 -13.128 1.00 1.83 C ATOM 552 CG ASN A 36 -11.406 12.570 -13.924 1.00 2.04 C ATOM 553 OD1 ASN A 36 -12.388 11.982 -13.481 1.00 2.95 O ATOM 554 ND2 ASN A 36 -10.806 12.210 -15.052 1.00 1.92 N ATOM 0 H ASN A 36 -9.076 14.915 -11.673 1.00 1.48 H new ATOM 0 HA ASN A 36 -11.206 13.085 -11.179 1.00 1.59 H new ATOM 0 HB2 ASN A 36 -11.527 14.513 -12.984 1.00 1.83 H new ATOM 0 HB3 ASN A 36 -9.959 14.159 -13.683 1.00 1.83 H new ATOM 0 HD21 ASN A 36 -11.159 11.416 -15.587 1.00 1.92 H new ATOM 0 HD22 ASN A 36 -9.992 12.727 -15.384 1.00 1.92 H new ATOM 561 N GLU A 37 -8.335 11.819 -12.314 1.00 1.29 N ATOM 562 CA GLU A 37 -7.507 10.614 -12.214 1.00 1.27 C ATOM 563 C GLU A 37 -7.692 9.900 -10.872 1.00 1.23 C ATOM 564 O GLU A 37 -7.856 8.683 -10.809 1.00 1.38 O ATOM 565 CB GLU A 37 -6.036 11.002 -12.387 1.00 1.22 C ATOM 566 CG GLU A 37 -5.709 11.096 -13.869 1.00 0.89 C ATOM 567 CD GLU A 37 -4.331 11.683 -14.171 1.00 0.90 C ATOM 568 OE1 GLU A 37 -3.665 12.339 -13.341 1.00 2.10 O ATOM 569 OE2 GLU A 37 -3.793 11.496 -15.278 1.00 1.47 O ATOM 0 H GLU A 37 -7.858 12.615 -12.737 1.00 1.29 H new ATOM 0 HA GLU A 37 -7.818 9.925 -13.000 1.00 1.27 H new ATOM 0 HB2 GLU A 37 -5.841 11.957 -11.899 1.00 1.22 H new ATOM 0 HB3 GLU A 37 -5.395 10.262 -11.908 1.00 1.22 H new ATOM 0 HG2 GLU A 37 -5.771 10.100 -14.307 1.00 0.89 H new ATOM 0 HG3 GLU A 37 -6.467 11.707 -14.359 1.00 0.89 H new ATOM 576 N PHE A 38 -7.651 10.675 -9.790 1.00 1.10 N ATOM 577 CA PHE A 38 -7.953 10.192 -8.456 1.00 1.08 C ATOM 578 C PHE A 38 -9.357 9.576 -8.410 1.00 1.15 C ATOM 579 O PHE A 38 -9.527 8.404 -8.079 1.00 1.18 O ATOM 580 CB PHE A 38 -7.808 11.351 -7.455 1.00 1.10 C ATOM 581 CG PHE A 38 -6.929 11.018 -6.282 1.00 0.91 C ATOM 582 CD1 PHE A 38 -5.565 10.791 -6.500 1.00 2.08 C ATOM 583 CD2 PHE A 38 -7.476 10.851 -5.002 1.00 1.91 C ATOM 584 CE1 PHE A 38 -4.769 10.297 -5.458 1.00 2.90 C ATOM 585 CE2 PHE A 38 -6.690 10.316 -3.974 1.00 2.19 C ATOM 586 CZ PHE A 38 -5.337 10.017 -4.211 1.00 2.46 C ATOM 0 H PHE A 38 -7.404 11.664 -9.821 1.00 1.10 H new ATOM 0 HA PHE A 38 -7.249 9.406 -8.182 1.00 1.08 H new ATOM 0 HB2 PHE A 38 -7.399 12.219 -7.972 1.00 1.10 H new ATOM 0 HB3 PHE A 38 -8.796 11.633 -7.091 1.00 1.10 H new ATOM 0 HD1 PHE A 38 -5.128 10.996 -7.466 1.00 2.08 H new ATOM 0 HD2 PHE A 38 -8.500 11.134 -4.809 1.00 1.91 H new ATOM 0 HE1 PHE A 38 -3.714 10.132 -5.618 1.00 2.90 H new ATOM 0 HE2 PHE A 38 -7.122 10.133 -3.001 1.00 2.19 H new ATOM 0 HZ PHE A 38 -4.737 9.572 -3.431 1.00 2.46 H new ATOM 596 N LYS A 39 -10.371 10.383 -8.728 1.00 1.25 N ATOM 597 CA LYS A 39 -11.768 10.009 -8.587 1.00 1.37 C ATOM 598 C LYS A 39 -12.091 8.749 -9.394 1.00 1.45 C ATOM 599 O LYS A 39 -12.753 7.849 -8.887 1.00 1.53 O ATOM 600 CB LYS A 39 -12.683 11.212 -8.874 1.00 1.46 C ATOM 601 CG LYS A 39 -14.000 11.173 -8.070 1.00 1.45 C ATOM 602 CD LYS A 39 -14.452 12.609 -7.730 1.00 1.53 C ATOM 603 CE LYS A 39 -15.646 12.641 -6.759 1.00 1.81 C ATOM 604 NZ LYS A 39 -15.811 13.965 -6.112 1.00 2.69 N ATOM 0 H LYS A 39 -10.237 11.325 -9.095 1.00 1.25 H new ATOM 0 HA LYS A 39 -11.967 9.733 -7.551 1.00 1.37 H new ATOM 0 HB2 LYS A 39 -12.148 12.132 -8.640 1.00 1.46 H new ATOM 0 HB3 LYS A 39 -12.914 11.240 -9.939 1.00 1.46 H new ATOM 0 HG2 LYS A 39 -14.773 10.666 -8.647 1.00 1.45 H new ATOM 0 HG3 LYS A 39 -13.860 10.600 -7.153 1.00 1.45 H new ATOM 0 HD2 LYS A 39 -13.617 13.154 -7.290 1.00 1.53 H new ATOM 0 HD3 LYS A 39 -14.723 13.128 -8.650 1.00 1.53 H new ATOM 0 HE2 LYS A 39 -16.558 12.387 -7.300 1.00 1.81 H new ATOM 0 HE3 LYS A 39 -15.508 11.879 -5.992 1.00 1.81 H new ATOM 0 HZ1 LYS A 39 -16.475 13.882 -5.316 1.00 2.69 H new ATOM 0 HZ2 LYS A 39 -14.890 14.297 -5.762 1.00 2.69 H new ATOM 0 HZ3 LYS A 39 -16.184 14.646 -6.804 1.00 2.69 H new ATOM 618 N GLU A 40 -11.559 8.638 -10.610 1.00 1.47 N ATOM 619 CA GLU A 40 -11.670 7.457 -11.441 1.00 1.56 C ATOM 620 C GLU A 40 -11.338 6.176 -10.670 1.00 1.54 C ATOM 621 O GLU A 40 -12.049 5.190 -10.839 1.00 1.63 O ATOM 622 CB GLU A 40 -10.791 7.596 -12.691 1.00 1.60 C ATOM 623 CG GLU A 40 -11.361 8.612 -13.691 1.00 1.71 C ATOM 624 CD GLU A 40 -10.422 8.863 -14.867 1.00 2.12 C ATOM 625 OE1 GLU A 40 -9.303 8.306 -14.851 1.00 3.19 O ATOM 626 OE2 GLU A 40 -10.836 9.588 -15.802 1.00 2.25 O ATOM 0 H GLU A 40 -11.027 9.390 -11.049 1.00 1.47 H new ATOM 0 HA GLU A 40 -12.710 7.373 -11.756 1.00 1.56 H new ATOM 0 HB2 GLU A 40 -9.788 7.903 -12.395 1.00 1.60 H new ATOM 0 HB3 GLU A 40 -10.697 6.625 -13.177 1.00 1.60 H new ATOM 0 HG2 GLU A 40 -12.319 8.251 -14.065 1.00 1.71 H new ATOM 0 HG3 GLU A 40 -11.555 9.554 -13.177 1.00 1.71 H new ATOM 633 N LEU A 41 -10.314 6.170 -9.805 1.00 1.46 N ATOM 634 CA LEU A 41 -9.940 4.960 -9.074 1.00 1.49 C ATOM 635 C LEU A 41 -11.140 4.515 -8.250 1.00 1.41 C ATOM 636 O LEU A 41 -11.578 3.365 -8.310 1.00 1.45 O ATOM 637 CB LEU A 41 -8.714 5.239 -8.178 1.00 1.54 C ATOM 638 CG LEU A 41 -8.132 4.050 -7.381 1.00 1.74 C ATOM 639 CD1 LEU A 41 -9.017 3.526 -6.246 1.00 3.18 C ATOM 640 CD2 LEU A 41 -7.690 2.900 -8.284 1.00 1.85 C ATOM 0 H LEU A 41 -9.736 6.985 -9.598 1.00 1.46 H new ATOM 0 HA LEU A 41 -9.662 4.164 -9.765 1.00 1.49 H new ATOM 0 HB2 LEU A 41 -7.921 5.643 -8.808 1.00 1.54 H new ATOM 0 HB3 LEU A 41 -8.986 6.020 -7.468 1.00 1.54 H new ATOM 0 HG LEU A 41 -7.254 4.480 -6.898 1.00 1.74 H new ATOM 0 HD11 LEU A 41 -8.518 2.693 -5.750 1.00 3.18 H new ATOM 0 HD12 LEU A 41 -9.194 4.324 -5.525 1.00 3.18 H new ATOM 0 HD13 LEU A 41 -9.969 3.188 -6.654 1.00 3.18 H new ATOM 0 HD21 LEU A 41 -7.289 2.091 -7.673 1.00 1.85 H new ATOM 0 HD22 LEU A 41 -8.545 2.535 -8.853 1.00 1.85 H new ATOM 0 HD23 LEU A 41 -6.920 3.252 -8.971 1.00 1.85 H new ATOM 652 N VAL A 42 -11.666 5.458 -7.470 1.00 1.37 N ATOM 653 CA VAL A 42 -12.658 5.161 -6.463 1.00 1.39 C ATOM 654 C VAL A 42 -13.998 4.853 -7.134 1.00 1.47 C ATOM 655 O VAL A 42 -14.620 3.819 -6.883 1.00 1.61 O ATOM 656 CB VAL A 42 -12.709 6.272 -5.398 1.00 1.40 C ATOM 657 CG1 VAL A 42 -11.490 6.180 -4.475 1.00 1.48 C ATOM 658 CG2 VAL A 42 -12.781 7.708 -5.913 1.00 1.41 C ATOM 0 H VAL A 42 -11.411 6.444 -7.526 1.00 1.37 H new ATOM 0 HA VAL A 42 -12.383 4.261 -5.913 1.00 1.39 H new ATOM 0 HB VAL A 42 -13.651 6.081 -4.884 1.00 1.40 H new ATOM 0 HG11 VAL A 42 -11.539 6.971 -3.727 1.00 1.48 H new ATOM 0 HG12 VAL A 42 -11.483 5.210 -3.977 1.00 1.48 H new ATOM 0 HG13 VAL A 42 -10.579 6.293 -5.063 1.00 1.48 H new ATOM 0 HG21 VAL A 42 -12.812 8.396 -5.068 1.00 1.41 H new ATOM 0 HG22 VAL A 42 -11.902 7.921 -6.522 1.00 1.41 H new ATOM 0 HG23 VAL A 42 -13.680 7.833 -6.516 1.00 1.41 H new ATOM 668 N THR A 43 -14.409 5.754 -8.024 1.00 1.43 N ATOM 669 CA THR A 43 -15.624 5.668 -8.803 1.00 1.46 C ATOM 670 C THR A 43 -15.672 4.385 -9.634 1.00 1.40 C ATOM 671 O THR A 43 -16.724 3.754 -9.688 1.00 1.45 O ATOM 672 CB THR A 43 -15.707 6.935 -9.665 1.00 1.49 C ATOM 673 OG1 THR A 43 -15.750 8.062 -8.809 1.00 1.60 O ATOM 674 CG2 THR A 43 -16.945 6.962 -10.566 1.00 1.58 C ATOM 0 H THR A 43 -13.874 6.599 -8.224 1.00 1.43 H new ATOM 0 HA THR A 43 -16.495 5.615 -8.150 1.00 1.46 H new ATOM 0 HB THR A 43 -14.829 6.948 -10.311 1.00 1.49 H new ATOM 0 HG1 THR A 43 -14.837 8.331 -8.576 1.00 1.60 H new ATOM 0 HG21 THR A 43 -16.949 7.881 -11.151 1.00 1.58 H new ATOM 0 HG22 THR A 43 -16.925 6.104 -11.238 1.00 1.58 H new ATOM 0 HG23 THR A 43 -17.844 6.920 -9.951 1.00 1.58 H new ATOM 682 N GLN A 44 -14.573 4.006 -10.299 1.00 1.37 N ATOM 683 CA GLN A 44 -14.595 2.878 -11.220 1.00 1.39 C ATOM 684 C GLN A 44 -14.994 1.586 -10.497 1.00 1.39 C ATOM 685 O GLN A 44 -16.011 0.989 -10.841 1.00 1.29 O ATOM 686 CB GLN A 44 -13.236 2.769 -11.930 1.00 1.77 C ATOM 687 CG GLN A 44 -13.114 1.516 -12.807 1.00 2.19 C ATOM 688 CD GLN A 44 -11.728 1.437 -13.423 1.00 2.57 C ATOM 689 OE1 GLN A 44 -10.923 0.584 -13.068 1.00 3.74 O ATOM 690 NE2 GLN A 44 -11.409 2.365 -14.314 1.00 2.13 N ATOM 0 H GLN A 44 -13.666 4.465 -10.213 1.00 1.37 H new ATOM 0 HA GLN A 44 -15.355 3.043 -11.984 1.00 1.39 H new ATOM 0 HB2 GLN A 44 -13.084 3.654 -12.548 1.00 1.77 H new ATOM 0 HB3 GLN A 44 -12.442 2.761 -11.183 1.00 1.77 H new ATOM 0 HG2 GLN A 44 -13.305 0.625 -12.209 1.00 2.19 H new ATOM 0 HG3 GLN A 44 -13.868 1.539 -13.594 1.00 2.19 H new ATOM 0 HE21 GLN A 44 -12.098 3.063 -14.592 1.00 2.13 H new ATOM 0 HE22 GLN A 44 -10.474 2.381 -14.722 1.00 2.13 H new ATOM 699 N GLN A 45 -14.197 1.141 -9.518 1.00 1.72 N ATOM 700 CA GLN A 45 -14.413 -0.158 -8.873 1.00 2.05 C ATOM 701 C GLN A 45 -14.062 -0.165 -7.377 1.00 1.97 C ATOM 702 O GLN A 45 -13.575 -1.180 -6.881 1.00 3.01 O ATOM 703 CB GLN A 45 -13.655 -1.256 -9.653 1.00 2.86 C ATOM 704 CG GLN A 45 -14.406 -1.755 -10.896 1.00 3.46 C ATOM 705 CD GLN A 45 -13.561 -2.762 -11.667 1.00 3.82 C ATOM 706 OE1 GLN A 45 -13.055 -2.456 -12.741 1.00 4.22 O ATOM 707 NE2 GLN A 45 -13.400 -3.956 -11.106 1.00 4.69 N ATOM 0 H GLN A 45 -13.398 1.661 -9.156 1.00 1.72 H new ATOM 0 HA GLN A 45 -15.482 -0.369 -8.909 1.00 2.05 H new ATOM 0 HB2 GLN A 45 -12.683 -0.869 -9.957 1.00 2.86 H new ATOM 0 HB3 GLN A 45 -13.468 -2.099 -8.988 1.00 2.86 H new ATOM 0 HG2 GLN A 45 -15.348 -2.216 -10.598 1.00 3.46 H new ATOM 0 HG3 GLN A 45 -14.654 -0.912 -11.540 1.00 3.46 H new ATOM 0 HE21 GLN A 45 -13.842 -4.162 -10.210 1.00 4.69 H new ATOM 0 HE22 GLN A 45 -12.834 -4.666 -11.571 1.00 4.69 H new ATOM 716 N LEU A 46 -14.355 0.905 -6.621 1.00 1.38 N ATOM 717 CA LEU A 46 -14.059 0.928 -5.185 1.00 1.21 C ATOM 718 C LEU A 46 -15.229 1.336 -4.255 1.00 1.42 C ATOM 719 O LEU A 46 -14.972 1.897 -3.187 1.00 2.24 O ATOM 720 CB LEU A 46 -12.847 1.846 -4.988 1.00 1.24 C ATOM 721 CG LEU A 46 -11.880 1.295 -3.937 1.00 1.54 C ATOM 722 CD1 LEU A 46 -10.851 0.360 -4.583 1.00 1.88 C ATOM 723 CD2 LEU A 46 -11.199 2.453 -3.215 1.00 1.95 C ATOM 0 H LEU A 46 -14.792 1.755 -6.978 1.00 1.38 H new ATOM 0 HA LEU A 46 -13.857 -0.099 -4.881 1.00 1.21 H new ATOM 0 HB2 LEU A 46 -12.323 1.965 -5.937 1.00 1.24 H new ATOM 0 HB3 LEU A 46 -13.187 2.836 -4.685 1.00 1.24 H new ATOM 0 HG LEU A 46 -12.439 0.709 -3.207 1.00 1.54 H new ATOM 0 HD11 LEU A 46 -10.174 -0.020 -3.818 1.00 1.88 H new ATOM 0 HD12 LEU A 46 -11.366 -0.475 -5.059 1.00 1.88 H new ATOM 0 HD13 LEU A 46 -10.280 0.909 -5.332 1.00 1.88 H new ATOM 0 HD21 LEU A 46 -10.510 2.061 -2.467 1.00 1.95 H new ATOM 0 HD22 LEU A 46 -10.647 3.056 -3.935 1.00 1.95 H new ATOM 0 HD23 LEU A 46 -11.953 3.071 -2.726 1.00 1.95 H new ATOM 735 N PRO A 47 -16.503 1.042 -4.584 1.00 1.25 N ATOM 736 CA PRO A 47 -17.653 1.655 -3.925 1.00 1.75 C ATOM 737 C PRO A 47 -17.755 1.351 -2.426 1.00 1.75 C ATOM 738 O PRO A 47 -17.782 2.264 -1.606 1.00 2.51 O ATOM 739 CB PRO A 47 -18.887 1.166 -4.696 1.00 2.16 C ATOM 740 CG PRO A 47 -18.420 -0.125 -5.369 1.00 1.96 C ATOM 741 CD PRO A 47 -16.953 0.175 -5.664 1.00 1.45 C ATOM 0 HA PRO A 47 -17.557 2.740 -3.953 1.00 1.75 H new ATOM 0 HB2 PRO A 47 -19.729 0.985 -4.027 1.00 2.16 H new ATOM 0 HB3 PRO A 47 -19.216 1.902 -5.430 1.00 2.16 H new ATOM 0 HG2 PRO A 47 -18.535 -0.989 -4.715 1.00 1.96 H new ATOM 0 HG3 PRO A 47 -18.983 -0.336 -6.278 1.00 1.96 H new ATOM 0 HD2 PRO A 47 -16.365 -0.742 -5.700 1.00 1.45 H new ATOM 0 HD3 PRO A 47 -16.840 0.664 -6.632 1.00 1.45 H new ATOM 749 N HIS A 48 -17.876 0.074 -2.049 1.00 1.41 N ATOM 750 CA HIS A 48 -18.078 -0.299 -0.651 1.00 1.52 C ATOM 751 C HIS A 48 -16.852 0.038 0.200 1.00 1.40 C ATOM 752 O HIS A 48 -16.994 0.423 1.361 1.00 1.90 O ATOM 753 CB HIS A 48 -18.415 -1.792 -0.544 1.00 1.63 C ATOM 754 CG HIS A 48 -19.812 -2.157 -0.986 1.00 2.11 C ATOM 755 ND1 HIS A 48 -20.738 -1.316 -1.559 1.00 3.14 N ATOM 756 CD2 HIS A 48 -20.420 -3.371 -0.797 1.00 3.38 C ATOM 757 CE1 HIS A 48 -21.877 -2.013 -1.714 1.00 4.17 C ATOM 758 NE2 HIS A 48 -21.739 -3.271 -1.257 1.00 4.26 N ATOM 0 H HIS A 48 -17.837 -0.715 -2.694 1.00 1.41 H new ATOM 0 HA HIS A 48 -18.917 0.281 -0.265 1.00 1.52 H new ATOM 0 HB2 HIS A 48 -17.700 -2.356 -1.143 1.00 1.63 H new ATOM 0 HB3 HIS A 48 -18.282 -2.107 0.491 1.00 1.63 H new ATOM 0 HD2 HIS A 48 -19.962 -4.250 -0.369 1.00 3.38 H new ATOM 0 HE1 HIS A 48 -22.783 -1.616 -2.148 1.00 4.17 H new ATOM 0 HE2 HIS A 48 -22.450 -4.002 -1.248 1.00 4.26 H new ATOM 766 N LEU A 49 -15.655 -0.154 -0.361 1.00 1.20 N ATOM 767 CA LEU A 49 -14.405 -0.010 0.370 1.00 1.19 C ATOM 768 C LEU A 49 -14.209 1.452 0.793 1.00 1.11 C ATOM 769 O LEU A 49 -14.045 1.716 1.981 1.00 1.46 O ATOM 770 CB LEU A 49 -13.255 -0.567 -0.478 1.00 1.35 C ATOM 771 CG LEU A 49 -11.918 -0.708 0.269 1.00 1.13 C ATOM 772 CD1 LEU A 49 -11.932 -1.825 1.309 1.00 1.28 C ATOM 773 CD2 LEU A 49 -10.824 -1.109 -0.720 1.00 1.48 C ATOM 0 H LEU A 49 -15.531 -0.415 -1.339 1.00 1.20 H new ATOM 0 HA LEU A 49 -14.427 -0.590 1.292 1.00 1.19 H new ATOM 0 HB2 LEU A 49 -13.546 -1.544 -0.863 1.00 1.35 H new ATOM 0 HB3 LEU A 49 -13.108 0.084 -1.339 1.00 1.35 H new ATOM 0 HG LEU A 49 -11.745 0.254 0.750 1.00 1.13 H new ATOM 0 HD11 LEU A 49 -10.961 -1.875 1.802 1.00 1.28 H new ATOM 0 HD12 LEU A 49 -12.706 -1.623 2.050 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -12.139 -2.776 0.819 1.00 1.28 H new ATOM 0 HD21 LEU A 49 -9.876 -1.209 -0.192 1.00 1.48 H new ATOM 0 HD22 LEU A 49 -11.084 -2.061 -1.184 1.00 1.48 H new ATOM 0 HD23 LEU A 49 -10.731 -0.343 -1.490 1.00 1.48 H new ATOM 785 N LEU A 50 -14.264 2.405 -0.152 1.00 1.08 N ATOM 786 CA LEU A 50 -14.313 3.830 0.180 1.00 1.12 C ATOM 787 C LEU A 50 -15.709 4.371 -0.102 1.00 1.28 C ATOM 788 O LEU A 50 -15.994 4.905 -1.173 1.00 2.10 O ATOM 789 CB LEU A 50 -13.220 4.641 -0.524 1.00 1.12 C ATOM 790 CG LEU A 50 -11.811 4.282 -0.024 1.00 1.12 C ATOM 791 CD1 LEU A 50 -10.774 5.119 -0.785 1.00 1.07 C ATOM 792 CD2 LEU A 50 -11.606 4.538 1.477 1.00 1.40 C ATOM 0 H LEU A 50 -14.275 2.209 -1.153 1.00 1.08 H new ATOM 0 HA LEU A 50 -14.106 3.939 1.245 1.00 1.12 H new ATOM 0 HB2 LEU A 50 -13.277 4.467 -1.598 1.00 1.12 H new ATOM 0 HB3 LEU A 50 -13.400 5.704 -0.364 1.00 1.12 H new ATOM 0 HG LEU A 50 -11.690 3.213 -0.200 1.00 1.12 H new ATOM 0 HD11 LEU A 50 -9.774 4.867 -0.433 1.00 1.07 H new ATOM 0 HD12 LEU A 50 -10.847 4.907 -1.852 1.00 1.07 H new ATOM 0 HD13 LEU A 50 -10.963 6.178 -0.612 1.00 1.07 H new ATOM 0 HD21 LEU A 50 -10.590 4.262 1.758 1.00 1.40 H new ATOM 0 HD22 LEU A 50 -11.767 5.595 1.691 1.00 1.40 H new ATOM 0 HD23 LEU A 50 -12.316 3.940 2.048 1.00 1.40 H new ATOM 804 N LYS A 51 -16.556 4.243 0.919 1.00 1.48 N ATOM 805 CA LYS A 51 -17.880 4.845 0.967 1.00 1.74 C ATOM 806 C LYS A 51 -17.830 6.348 0.660 1.00 1.53 C ATOM 807 O LYS A 51 -16.791 6.987 0.831 1.00 2.02 O ATOM 808 CB LYS A 51 -18.507 4.595 2.352 1.00 2.16 C ATOM 809 CG LYS A 51 -17.738 5.310 3.483 1.00 2.70 C ATOM 810 CD LYS A 51 -18.498 5.356 4.815 1.00 3.73 C ATOM 811 CE LYS A 51 -18.297 4.125 5.707 1.00 4.85 C ATOM 812 NZ LYS A 51 -18.804 2.885 5.097 1.00 5.53 N ATOM 0 H LYS A 51 -16.331 3.703 1.755 1.00 1.48 H new ATOM 0 HA LYS A 51 -18.498 4.380 0.199 1.00 1.74 H new ATOM 0 HB2 LYS A 51 -19.542 4.938 2.347 1.00 2.16 H new ATOM 0 HB3 LYS A 51 -18.527 3.523 2.551 1.00 2.16 H new ATOM 0 HG2 LYS A 51 -16.784 4.805 3.637 1.00 2.70 H new ATOM 0 HG3 LYS A 51 -17.512 6.329 3.169 1.00 2.70 H new ATOM 0 HD2 LYS A 51 -18.185 6.243 5.366 1.00 3.73 H new ATOM 0 HD3 LYS A 51 -19.562 5.468 4.607 1.00 3.73 H new ATOM 0 HE2 LYS A 51 -17.235 4.009 5.923 1.00 4.85 H new ATOM 0 HE3 LYS A 51 -18.801 4.287 6.660 1.00 4.85 H new ATOM 0 HZ1 LYS A 51 -18.974 2.177 5.840 1.00 5.53 H new ATOM 0 HZ2 LYS A 51 -19.694 3.083 4.597 1.00 5.53 H new ATOM 0 HZ3 LYS A 51 -18.103 2.518 4.423 1.00 5.53 H new ATOM 826 N ASP A 52 -18.976 6.922 0.278 1.00 1.97 N ATOM 827 CA ASP A 52 -19.180 8.363 0.185 1.00 2.18 C ATOM 828 C ASP A 52 -18.163 9.004 -0.766 1.00 1.95 C ATOM 829 O ASP A 52 -17.692 10.125 -0.565 1.00 2.18 O ATOM 830 CB ASP A 52 -19.241 8.988 1.588 1.00 2.71 C ATOM 831 CG ASP A 52 -20.483 8.522 2.335 1.00 4.28 C ATOM 832 OD1 ASP A 52 -21.540 9.171 2.154 1.00 5.39 O ATOM 833 OD2 ASP A 52 -20.417 7.489 3.046 1.00 5.14 O ATOM 0 H ASP A 52 -19.802 6.382 0.020 1.00 1.97 H new ATOM 0 HA ASP A 52 -20.150 8.570 -0.267 1.00 2.18 H new ATOM 0 HB2 ASP A 52 -18.349 8.715 2.151 1.00 2.71 H new ATOM 0 HB3 ASP A 52 -19.247 10.075 1.507 1.00 2.71 H new ATOM 838 N VAL A 53 -17.910 8.278 -1.863 1.00 1.76 N ATOM 839 CA VAL A 53 -17.053 8.615 -2.983 1.00 1.73 C ATOM 840 C VAL A 53 -17.188 10.078 -3.409 1.00 1.65 C ATOM 841 O VAL A 53 -16.211 10.705 -3.818 1.00 1.92 O ATOM 842 CB VAL A 53 -17.367 7.610 -4.117 1.00 1.74 C ATOM 843 CG1 VAL A 53 -18.207 8.170 -5.271 1.00 2.40 C ATOM 844 CG2 VAL A 53 -16.066 7.014 -4.625 1.00 2.63 C ATOM 0 H VAL A 53 -18.342 7.363 -1.990 1.00 1.76 H new ATOM 0 HA VAL A 53 -16.004 8.526 -2.699 1.00 1.73 H new ATOM 0 HB VAL A 53 -18.001 6.839 -3.678 1.00 1.74 H new ATOM 0 HG11 VAL A 53 -18.372 7.389 -6.013 1.00 2.40 H new ATOM 0 HG12 VAL A 53 -19.167 8.515 -4.888 1.00 2.40 H new ATOM 0 HG13 VAL A 53 -17.680 9.004 -5.733 1.00 2.40 H new ATOM 0 HG21 VAL A 53 -16.279 6.304 -5.425 1.00 2.63 H new ATOM 0 HG22 VAL A 53 -15.426 7.809 -5.006 1.00 2.63 H new ATOM 0 HG23 VAL A 53 -15.558 6.500 -3.809 1.00 2.63 H new ATOM 854 N GLY A 54 -18.404 10.623 -3.296 1.00 1.65 N ATOM 855 CA GLY A 54 -18.696 12.026 -3.543 1.00 1.70 C ATOM 856 C GLY A 54 -17.597 12.943 -3.006 1.00 1.64 C ATOM 857 O GLY A 54 -17.108 13.799 -3.747 1.00 1.71 O ATOM 0 H GLY A 54 -19.226 10.083 -3.024 1.00 1.65 H new ATOM 0 HA2 GLY A 54 -18.813 12.189 -4.614 1.00 1.70 H new ATOM 0 HA3 GLY A 54 -19.646 12.286 -3.076 1.00 1.70 H new ATOM 861 N SER A 55 -17.183 12.733 -1.750 1.00 1.62 N ATOM 862 CA SER A 55 -16.260 13.616 -1.041 1.00 1.56 C ATOM 863 C SER A 55 -14.786 13.202 -1.194 1.00 1.34 C ATOM 864 O SER A 55 -13.955 13.624 -0.386 1.00 1.13 O ATOM 865 CB SER A 55 -16.675 13.687 0.435 1.00 1.69 C ATOM 866 OG SER A 55 -15.951 14.699 1.102 1.00 1.91 O ATOM 0 H SER A 55 -17.486 11.933 -1.194 1.00 1.62 H new ATOM 0 HA SER A 55 -16.327 14.606 -1.492 1.00 1.56 H new ATOM 0 HB2 SER A 55 -17.744 13.887 0.510 1.00 1.69 H new ATOM 0 HB3 SER A 55 -16.496 12.726 0.916 1.00 1.69 H new ATOM 0 HG SER A 55 -15.005 14.642 0.854 1.00 1.91 H new ATOM 872 N LEU A 56 -14.448 12.418 -2.226 1.00 1.69 N ATOM 873 CA LEU A 56 -13.089 12.036 -2.594 1.00 1.60 C ATOM 874 C LEU A 56 -12.105 13.194 -2.423 1.00 1.49 C ATOM 875 O LEU A 56 -11.021 13.028 -1.867 1.00 1.40 O ATOM 876 CB LEU A 56 -13.172 11.577 -4.054 1.00 1.72 C ATOM 877 CG LEU A 56 -11.860 11.327 -4.798 1.00 1.45 C ATOM 878 CD1 LEU A 56 -11.160 12.618 -5.235 1.00 1.33 C ATOM 879 CD2 LEU A 56 -10.960 10.363 -4.026 1.00 1.42 C ATOM 0 H LEU A 56 -15.148 12.018 -2.851 1.00 1.69 H new ATOM 0 HA LEU A 56 -12.712 11.244 -1.946 1.00 1.60 H new ATOM 0 HB2 LEU A 56 -13.754 10.656 -4.083 1.00 1.72 H new ATOM 0 HB3 LEU A 56 -13.734 12.327 -4.610 1.00 1.72 H new ATOM 0 HG LEU A 56 -12.109 10.829 -5.735 1.00 1.45 H new ATOM 0 HD11 LEU A 56 -10.235 12.372 -5.757 1.00 1.33 H new ATOM 0 HD12 LEU A 56 -11.815 13.179 -5.902 1.00 1.33 H new ATOM 0 HD13 LEU A 56 -10.931 13.223 -4.357 1.00 1.33 H new ATOM 0 HD21 LEU A 56 -10.035 10.205 -4.581 1.00 1.42 H new ATOM 0 HD22 LEU A 56 -10.729 10.785 -3.048 1.00 1.42 H new ATOM 0 HD23 LEU A 56 -11.473 9.410 -3.898 1.00 1.42 H new ATOM 891 N ASP A 57 -12.493 14.370 -2.911 1.00 1.61 N ATOM 892 CA ASP A 57 -11.707 15.589 -2.978 1.00 1.67 C ATOM 893 C ASP A 57 -11.055 15.921 -1.627 1.00 1.44 C ATOM 894 O ASP A 57 -9.908 16.367 -1.576 1.00 1.41 O ATOM 895 CB ASP A 57 -12.616 16.722 -3.485 1.00 2.05 C ATOM 896 CG ASP A 57 -13.353 16.350 -4.775 1.00 3.49 C ATOM 897 OD1 ASP A 57 -14.096 15.337 -4.741 1.00 4.56 O ATOM 898 OD2 ASP A 57 -13.161 17.052 -5.786 1.00 4.26 O ATOM 0 H ASP A 57 -13.429 14.500 -3.295 1.00 1.61 H new ATOM 0 HA ASP A 57 -10.879 15.457 -3.675 1.00 1.67 H new ATOM 0 HB2 ASP A 57 -13.344 16.972 -2.713 1.00 2.05 H new ATOM 0 HB3 ASP A 57 -12.016 17.615 -3.658 1.00 2.05 H new ATOM 903 N GLU A 58 -11.769 15.668 -0.524 1.00 1.40 N ATOM 904 CA GLU A 58 -11.216 15.806 0.817 1.00 1.36 C ATOM 905 C GLU A 58 -9.993 14.898 0.969 1.00 1.13 C ATOM 906 O GLU A 58 -8.916 15.331 1.385 1.00 1.18 O ATOM 907 CB GLU A 58 -12.292 15.436 1.849 1.00 1.49 C ATOM 908 CG GLU A 58 -11.751 15.516 3.282 1.00 1.68 C ATOM 909 CD GLU A 58 -12.764 14.981 4.281 1.00 2.00 C ATOM 910 OE1 GLU A 58 -12.820 13.736 4.397 1.00 2.74 O ATOM 911 OE2 GLU A 58 -13.459 15.810 4.901 1.00 2.96 O ATOM 0 H GLU A 58 -12.742 15.363 -0.542 1.00 1.40 H new ATOM 0 HA GLU A 58 -10.904 16.837 0.983 1.00 1.36 H new ATOM 0 HB2 GLU A 58 -13.144 16.107 1.743 1.00 1.49 H new ATOM 0 HB3 GLU A 58 -12.654 14.427 1.652 1.00 1.49 H new ATOM 0 HG2 GLU A 58 -10.826 14.945 3.357 1.00 1.68 H new ATOM 0 HG3 GLU A 58 -11.508 16.550 3.525 1.00 1.68 H new ATOM 918 N LYS A 59 -10.183 13.616 0.649 1.00 1.03 N ATOM 919 CA LYS A 59 -9.144 12.609 0.756 1.00 1.03 C ATOM 920 C LYS A 59 -7.963 13.060 -0.098 1.00 0.96 C ATOM 921 O LYS A 59 -6.841 13.096 0.393 1.00 0.94 O ATOM 922 CB LYS A 59 -9.668 11.219 0.337 1.00 1.18 C ATOM 923 CG LYS A 59 -9.516 10.152 1.436 1.00 1.69 C ATOM 924 CD LYS A 59 -10.734 10.045 2.367 1.00 1.84 C ATOM 925 CE LYS A 59 -11.061 11.366 3.082 1.00 2.11 C ATOM 926 NZ LYS A 59 -12.189 11.243 4.024 1.00 2.93 N ATOM 0 H LYS A 59 -11.072 13.252 0.306 1.00 1.03 H new ATOM 0 HA LYS A 59 -8.822 12.507 1.792 1.00 1.03 H new ATOM 0 HB2 LYS A 59 -10.720 11.302 0.065 1.00 1.18 H new ATOM 0 HB3 LYS A 59 -9.133 10.891 -0.554 1.00 1.18 H new ATOM 0 HG2 LYS A 59 -9.342 9.183 0.968 1.00 1.69 H new ATOM 0 HG3 LYS A 59 -8.633 10.381 2.033 1.00 1.69 H new ATOM 0 HD2 LYS A 59 -11.601 9.728 1.787 1.00 1.84 H new ATOM 0 HD3 LYS A 59 -10.548 9.271 3.112 1.00 1.84 H new ATOM 0 HE2 LYS A 59 -10.179 11.709 3.622 1.00 2.11 H new ATOM 0 HE3 LYS A 59 -11.296 12.128 2.338 1.00 2.11 H new ATOM 0 HZ1 LYS A 59 -12.679 12.157 4.100 1.00 2.93 H new ATOM 0 HZ2 LYS A 59 -12.853 10.521 3.678 1.00 2.93 H new ATOM 0 HZ3 LYS A 59 -11.831 10.964 4.960 1.00 2.93 H new ATOM 940 N MET A 60 -8.233 13.441 -1.350 1.00 1.05 N ATOM 941 CA MET A 60 -7.221 13.948 -2.272 1.00 1.08 C ATOM 942 C MET A 60 -6.386 15.045 -1.607 1.00 0.97 C ATOM 943 O MET A 60 -5.162 14.940 -1.545 1.00 0.89 O ATOM 944 CB MET A 60 -7.885 14.391 -3.583 1.00 1.38 C ATOM 945 CG MET A 60 -6.908 15.093 -4.532 1.00 1.34 C ATOM 946 SD MET A 60 -6.796 16.890 -4.298 1.00 1.61 S ATOM 947 CE MET A 60 -5.444 17.325 -5.411 1.00 1.61 C ATOM 0 H MET A 60 -9.170 13.405 -1.752 1.00 1.05 H new ATOM 0 HA MET A 60 -6.520 13.153 -2.528 1.00 1.08 H new ATOM 0 HB2 MET A 60 -8.309 13.520 -4.083 1.00 1.38 H new ATOM 0 HB3 MET A 60 -8.713 15.063 -3.357 1.00 1.38 H new ATOM 0 HG2 MET A 60 -5.917 14.659 -4.400 1.00 1.34 H new ATOM 0 HG3 MET A 60 -7.210 14.891 -5.560 1.00 1.34 H new ATOM 0 HE1 MET A 60 -5.493 18.389 -5.644 1.00 1.61 H new ATOM 0 HE2 MET A 60 -4.491 17.102 -4.931 1.00 1.61 H new ATOM 0 HE3 MET A 60 -5.530 16.747 -6.331 1.00 1.61 H new ATOM 957 N LYS A 61 -7.041 16.082 -1.082 1.00 1.08 N ATOM 958 CA LYS A 61 -6.339 17.184 -0.438 1.00 1.20 C ATOM 959 C LYS A 61 -5.510 16.692 0.755 1.00 1.14 C ATOM 960 O LYS A 61 -4.368 17.107 0.923 1.00 1.26 O ATOM 961 CB LYS A 61 -7.341 18.270 -0.031 1.00 1.44 C ATOM 962 CG LYS A 61 -7.888 18.984 -1.275 1.00 2.12 C ATOM 963 CD LYS A 61 -9.158 19.788 -0.972 1.00 2.49 C ATOM 964 CE LYS A 61 -9.006 20.791 0.179 1.00 1.86 C ATOM 965 NZ LYS A 61 -7.961 21.804 -0.085 1.00 2.95 N ATOM 0 H LYS A 61 -8.056 16.178 -1.092 1.00 1.08 H new ATOM 0 HA LYS A 61 -5.636 17.619 -1.148 1.00 1.20 H new ATOM 0 HB2 LYS A 61 -8.162 17.825 0.531 1.00 1.44 H new ATOM 0 HB3 LYS A 61 -6.858 18.992 0.628 1.00 1.44 H new ATOM 0 HG2 LYS A 61 -7.124 19.652 -1.673 1.00 2.12 H new ATOM 0 HG3 LYS A 61 -8.103 18.247 -2.049 1.00 2.12 H new ATOM 0 HD2 LYS A 61 -9.457 20.326 -1.871 1.00 2.49 H new ATOM 0 HD3 LYS A 61 -9.965 19.095 -0.732 1.00 2.49 H new ATOM 0 HE2 LYS A 61 -9.959 21.293 0.347 1.00 1.86 H new ATOM 0 HE3 LYS A 61 -8.763 20.253 1.095 1.00 1.86 H new ATOM 0 HZ1 LYS A 61 -7.839 22.404 0.755 1.00 2.95 H new ATOM 0 HZ2 LYS A 61 -7.063 21.327 -0.303 1.00 2.95 H new ATOM 0 HZ3 LYS A 61 -8.245 22.393 -0.893 1.00 2.95 H new ATOM 979 N SER A 62 -6.078 15.813 1.585 1.00 1.11 N ATOM 980 CA SER A 62 -5.375 15.244 2.732 1.00 1.29 C ATOM 981 C SER A 62 -4.122 14.470 2.288 1.00 1.25 C ATOM 982 O SER A 62 -3.049 14.573 2.885 1.00 1.48 O ATOM 983 CB SER A 62 -6.347 14.350 3.515 1.00 1.44 C ATOM 984 OG SER A 62 -5.787 13.970 4.757 1.00 1.89 O ATOM 0 H SER A 62 -7.036 15.478 1.479 1.00 1.11 H new ATOM 0 HA SER A 62 -5.029 16.047 3.383 1.00 1.29 H new ATOM 0 HB2 SER A 62 -7.284 14.881 3.680 1.00 1.44 H new ATOM 0 HB3 SER A 62 -6.583 13.461 2.930 1.00 1.44 H new ATOM 0 HG SER A 62 -6.422 13.402 5.242 1.00 1.89 H new ATOM 990 N LEU A 63 -4.266 13.670 1.232 1.00 1.10 N ATOM 991 CA LEU A 63 -3.208 12.843 0.674 1.00 1.17 C ATOM 992 C LEU A 63 -2.088 13.711 0.114 1.00 1.05 C ATOM 993 O LEU A 63 -0.915 13.417 0.360 1.00 1.04 O ATOM 994 CB LEU A 63 -3.797 11.954 -0.423 1.00 1.26 C ATOM 995 CG LEU A 63 -4.701 10.869 0.183 1.00 1.59 C ATOM 996 CD1 LEU A 63 -5.809 10.471 -0.780 1.00 1.53 C ATOM 997 CD2 LEU A 63 -3.876 9.613 0.431 1.00 2.17 C ATOM 0 H LEU A 63 -5.149 13.580 0.730 1.00 1.10 H new ATOM 0 HA LEU A 63 -2.785 12.218 1.460 1.00 1.17 H new ATOM 0 HB2 LEU A 63 -4.370 12.563 -1.122 1.00 1.26 H new ATOM 0 HB3 LEU A 63 -2.992 11.488 -0.991 1.00 1.26 H new ATOM 0 HG LEU A 63 -5.127 11.273 1.101 1.00 1.59 H new ATOM 0 HD11 LEU A 63 -6.431 9.702 -0.322 1.00 1.53 H new ATOM 0 HD12 LEU A 63 -6.421 11.343 -1.011 1.00 1.53 H new ATOM 0 HD13 LEU A 63 -5.370 10.083 -1.699 1.00 1.53 H new ATOM 0 HD21 LEU A 63 -4.512 8.839 0.861 1.00 2.17 H new ATOM 0 HD22 LEU A 63 -3.460 9.259 -0.512 1.00 2.17 H new ATOM 0 HD23 LEU A 63 -3.064 9.841 1.122 1.00 2.17 H new ATOM 1009 N ASP A 64 -2.455 14.744 -0.650 1.00 1.01 N ATOM 1010 CA ASP A 64 -1.528 15.642 -1.319 1.00 0.98 C ATOM 1011 C ASP A 64 -0.785 16.511 -0.297 1.00 1.04 C ATOM 1012 O ASP A 64 -1.105 17.684 -0.119 1.00 1.18 O ATOM 1013 CB ASP A 64 -2.301 16.493 -2.344 1.00 1.08 C ATOM 1014 CG ASP A 64 -1.368 17.306 -3.225 1.00 1.14 C ATOM 1015 OD1 ASP A 64 -0.143 17.076 -3.129 1.00 1.24 O ATOM 1016 OD2 ASP A 64 -1.860 18.130 -4.023 1.00 1.64 O ATOM 0 H ASP A 64 -3.433 14.979 -0.821 1.00 1.01 H new ATOM 0 HA ASP A 64 -0.773 15.064 -1.851 1.00 0.98 H new ATOM 0 HB2 ASP A 64 -2.914 15.842 -2.968 1.00 1.08 H new ATOM 0 HB3 ASP A 64 -2.981 17.164 -1.819 1.00 1.08 H new ATOM 1021 N VAL A 65 0.209 15.931 0.383 1.00 1.05 N ATOM 1022 CA VAL A 65 0.926 16.549 1.496 1.00 1.22 C ATOM 1023 C VAL A 65 1.350 17.996 1.226 1.00 1.22 C ATOM 1024 O VAL A 65 1.237 18.844 2.107 1.00 1.35 O ATOM 1025 CB VAL A 65 2.139 15.700 1.925 1.00 1.36 C ATOM 1026 CG1 VAL A 65 1.687 14.373 2.533 1.00 1.68 C ATOM 1027 CG2 VAL A 65 3.129 15.405 0.789 1.00 1.47 C ATOM 0 H VAL A 65 0.544 14.992 0.166 1.00 1.05 H new ATOM 0 HA VAL A 65 0.212 16.585 2.319 1.00 1.22 H new ATOM 0 HB VAL A 65 2.661 16.308 2.664 1.00 1.36 H new ATOM 0 HG11 VAL A 65 2.561 13.792 2.828 1.00 1.68 H new ATOM 0 HG12 VAL A 65 1.067 14.566 3.409 1.00 1.68 H new ATOM 0 HG13 VAL A 65 1.110 13.813 1.797 1.00 1.68 H new ATOM 0 HG21 VAL A 65 3.953 14.804 1.172 1.00 1.47 H new ATOM 0 HG22 VAL A 65 2.620 14.859 -0.005 1.00 1.47 H new ATOM 0 HG23 VAL A 65 3.518 16.343 0.392 1.00 1.47 H new ATOM 1037 N ASN A 66 1.868 18.271 0.027 1.00 1.14 N ATOM 1038 CA ASN A 66 2.388 19.585 -0.343 1.00 1.21 C ATOM 1039 C ASN A 66 1.357 20.423 -1.109 1.00 1.20 C ATOM 1040 O ASN A 66 1.705 21.498 -1.586 1.00 1.35 O ATOM 1041 CB ASN A 66 3.691 19.430 -1.142 1.00 1.30 C ATOM 1042 CG ASN A 66 3.477 18.786 -2.509 1.00 1.26 C ATOM 1043 OD1 ASN A 66 2.622 17.917 -2.682 1.00 1.19 O ATOM 1044 ND2 ASN A 66 4.254 19.168 -3.513 1.00 2.24 N ATOM 0 H ASN A 66 1.938 17.580 -0.720 1.00 1.14 H new ATOM 0 HA ASN A 66 2.604 20.130 0.576 1.00 1.21 H new ATOM 0 HB2 ASN A 66 4.148 20.410 -1.276 1.00 1.30 H new ATOM 0 HB3 ASN A 66 4.394 18.826 -0.568 1.00 1.30 H new ATOM 0 HD21 ASN A 66 4.145 18.742 -4.433 1.00 2.24 H new ATOM 0 HD22 ASN A 66 4.961 19.888 -3.365 1.00 2.24 H new ATOM 1051 N GLN A 67 0.115 19.937 -1.223 1.00 1.19 N ATOM 1052 CA GLN A 67 -1.000 20.546 -1.940 1.00 1.21 C ATOM 1053 C GLN A 67 -0.551 21.228 -3.236 1.00 1.19 C ATOM 1054 O GLN A 67 -0.783 22.419 -3.441 1.00 1.33 O ATOM 1055 CB GLN A 67 -1.842 21.421 -0.999 1.00 1.41 C ATOM 1056 CG GLN A 67 -3.242 21.661 -1.589 1.00 1.93 C ATOM 1057 CD GLN A 67 -4.229 22.206 -0.562 1.00 2.21 C ATOM 1058 OE1 GLN A 67 -5.347 21.707 -0.427 1.00 2.72 O ATOM 1059 NE2 GLN A 67 -3.843 23.247 0.170 1.00 3.10 N ATOM 0 H GLN A 67 -0.149 19.053 -0.788 1.00 1.19 H new ATOM 0 HA GLN A 67 -1.672 19.758 -2.280 1.00 1.21 H new ATOM 0 HB2 GLN A 67 -1.930 20.938 -0.026 1.00 1.41 H new ATOM 0 HB3 GLN A 67 -1.342 22.376 -0.837 1.00 1.41 H new ATOM 0 HG2 GLN A 67 -3.166 22.361 -2.421 1.00 1.93 H new ATOM 0 HG3 GLN A 67 -3.626 20.725 -1.995 1.00 1.93 H new ATOM 0 HE21 GLN A 67 -2.912 23.644 0.041 1.00 3.10 H new ATOM 0 HE22 GLN A 67 -4.478 23.648 0.860 1.00 3.10 H new ATOM 1068 N ASP A 68 0.096 20.448 -4.108 1.00 1.13 N ATOM 1069 CA ASP A 68 0.557 20.872 -5.427 1.00 1.13 C ATOM 1070 C ASP A 68 -0.484 20.523 -6.500 1.00 1.17 C ATOM 1071 O ASP A 68 -0.295 20.881 -7.660 1.00 1.63 O ATOM 1072 CB ASP A 68 1.933 20.245 -5.746 1.00 1.09 C ATOM 1073 CG ASP A 68 1.914 18.731 -5.687 1.00 1.04 C ATOM 1074 OD1 ASP A 68 0.825 18.156 -5.528 1.00 1.17 O ATOM 1075 OD2 ASP A 68 2.962 18.044 -5.595 1.00 1.03 O ATOM 0 H ASP A 68 0.319 19.473 -3.905 1.00 1.13 H new ATOM 0 HA ASP A 68 0.678 21.955 -5.425 1.00 1.13 H new ATOM 0 HB2 ASP A 68 2.250 20.562 -6.739 1.00 1.09 H new ATOM 0 HB3 ASP A 68 2.672 20.623 -5.040 1.00 1.09 H new ATOM 1080 N SER A 69 -1.556 19.806 -6.135 1.00 1.12 N ATOM 1081 CA SER A 69 -2.570 19.298 -7.050 1.00 1.11 C ATOM 1082 C SER A 69 -2.006 18.210 -7.968 1.00 1.04 C ATOM 1083 O SER A 69 -2.601 17.905 -9.001 1.00 1.06 O ATOM 1084 CB SER A 69 -3.260 20.428 -7.824 1.00 1.20 C ATOM 1085 OG SER A 69 -3.762 21.398 -6.921 1.00 1.73 O ATOM 0 H SER A 69 -1.741 19.560 -5.163 1.00 1.12 H new ATOM 0 HA SER A 69 -3.346 18.825 -6.448 1.00 1.11 H new ATOM 0 HB2 SER A 69 -2.554 20.892 -8.513 1.00 1.20 H new ATOM 0 HB3 SER A 69 -4.074 20.024 -8.426 1.00 1.20 H new ATOM 0 HG SER A 69 -4.200 22.117 -7.423 1.00 1.73 H new ATOM 1091 N GLU A 70 -0.886 17.603 -7.567 1.00 1.06 N ATOM 1092 CA GLU A 70 -0.254 16.480 -8.226 1.00 1.00 C ATOM 1093 C GLU A 70 0.030 15.443 -7.147 1.00 0.91 C ATOM 1094 O GLU A 70 0.947 15.635 -6.342 1.00 0.90 O ATOM 1095 CB GLU A 70 1.096 16.916 -8.806 1.00 1.13 C ATOM 1096 CG GLU A 70 1.067 17.651 -10.149 1.00 1.37 C ATOM 1097 CD GLU A 70 2.457 17.609 -10.776 1.00 2.01 C ATOM 1098 OE1 GLU A 70 3.426 17.677 -9.984 1.00 3.03 O ATOM 1099 OE2 GLU A 70 2.537 17.379 -12.003 1.00 2.67 O ATOM 0 H GLU A 70 -0.379 17.903 -6.734 1.00 1.06 H new ATOM 0 HA GLU A 70 -0.893 16.096 -9.021 1.00 1.00 H new ATOM 0 HB2 GLU A 70 1.586 17.561 -8.077 1.00 1.13 H new ATOM 0 HB3 GLU A 70 1.720 16.029 -8.918 1.00 1.13 H new ATOM 0 HG2 GLU A 70 0.341 17.186 -10.816 1.00 1.37 H new ATOM 0 HG3 GLU A 70 0.752 18.684 -10.005 1.00 1.37 H new ATOM 1106 N LEU A 71 -0.677 14.318 -7.127 1.00 0.91 N ATOM 1107 CA LEU A 71 -0.289 13.257 -6.215 1.00 0.90 C ATOM 1108 C LEU A 71 0.817 12.511 -6.969 1.00 0.82 C ATOM 1109 O LEU A 71 0.534 11.836 -7.959 1.00 0.81 O ATOM 1110 CB LEU A 71 -1.473 12.347 -5.832 1.00 1.12 C ATOM 1111 CG LEU A 71 -2.767 12.964 -5.266 1.00 0.99 C ATOM 1112 CD1 LEU A 71 -2.965 12.594 -3.781 1.00 1.11 C ATOM 1113 CD2 LEU A 71 -2.939 14.474 -5.446 1.00 1.23 C ATOM 0 H LEU A 71 -1.491 14.123 -7.710 1.00 0.91 H new ATOM 0 HA LEU A 71 0.057 13.639 -5.254 1.00 0.90 H new ATOM 0 HB2 LEU A 71 -1.747 11.779 -6.721 1.00 1.12 H new ATOM 0 HB3 LEU A 71 -1.107 11.631 -5.097 1.00 1.12 H new ATOM 0 HG LEU A 71 -3.543 12.515 -5.885 1.00 0.99 H new ATOM 0 HD11 LEU A 71 -3.887 13.045 -3.413 1.00 1.11 H new ATOM 0 HD12 LEU A 71 -3.027 11.510 -3.681 1.00 1.11 H new ATOM 0 HD13 LEU A 71 -2.122 12.965 -3.198 1.00 1.11 H new ATOM 0 HD21 LEU A 71 -3.886 14.787 -5.007 1.00 1.23 H new ATOM 0 HD22 LEU A 71 -2.120 14.995 -4.951 1.00 1.23 H new ATOM 0 HD23 LEU A 71 -2.934 14.717 -6.509 1.00 1.23 H new ATOM 1125 N LYS A 72 2.084 12.691 -6.573 1.00 0.84 N ATOM 1126 CA LYS A 72 3.178 11.861 -7.070 1.00 0.84 C ATOM 1127 C LYS A 72 2.852 10.389 -6.777 1.00 0.67 C ATOM 1128 O LYS A 72 2.031 10.108 -5.906 1.00 0.67 O ATOM 1129 CB LYS A 72 4.497 12.228 -6.357 1.00 1.24 C ATOM 1130 CG LYS A 72 5.452 13.186 -7.084 1.00 1.24 C ATOM 1131 CD LYS A 72 5.250 14.689 -6.805 1.00 2.19 C ATOM 1132 CE LYS A 72 4.201 15.347 -7.715 1.00 3.31 C ATOM 1133 NZ LYS A 72 4.219 16.828 -7.638 1.00 4.04 N ATOM 0 H LYS A 72 2.373 13.408 -5.907 1.00 0.84 H new ATOM 0 HA LYS A 72 3.293 12.025 -8.141 1.00 0.84 H new ATOM 0 HB2 LYS A 72 4.247 12.670 -5.393 1.00 1.24 H new ATOM 0 HB3 LYS A 72 5.038 11.304 -6.153 1.00 1.24 H new ATOM 0 HG2 LYS A 72 6.474 12.922 -6.814 1.00 1.24 H new ATOM 0 HG3 LYS A 72 5.353 13.020 -8.157 1.00 1.24 H new ATOM 0 HD2 LYS A 72 4.951 14.820 -5.765 1.00 2.19 H new ATOM 0 HD3 LYS A 72 6.202 15.205 -6.930 1.00 2.19 H new ATOM 0 HE2 LYS A 72 4.377 15.039 -8.746 1.00 3.31 H new ATOM 0 HE3 LYS A 72 3.210 14.986 -7.439 1.00 3.31 H new ATOM 0 HZ1 LYS A 72 3.933 17.227 -8.555 1.00 4.04 H new ATOM 0 HZ2 LYS A 72 3.558 17.145 -6.901 1.00 4.04 H new ATOM 0 HZ3 LYS A 72 5.179 17.152 -7.404 1.00 4.04 H new ATOM 1147 N PHE A 73 3.569 9.458 -7.421 1.00 0.69 N ATOM 1148 CA PHE A 73 3.462 8.015 -7.198 1.00 0.66 C ATOM 1149 C PHE A 73 3.252 7.703 -5.710 1.00 0.63 C ATOM 1150 O PHE A 73 2.239 7.132 -5.315 1.00 0.66 O ATOM 1151 CB PHE A 73 4.758 7.314 -7.653 1.00 0.80 C ATOM 1152 CG PHE A 73 4.986 7.135 -9.145 1.00 1.60 C ATOM 1153 CD1 PHE A 73 5.408 8.217 -9.944 1.00 3.03 C ATOM 1154 CD2 PHE A 73 5.004 5.833 -9.686 1.00 2.80 C ATOM 1155 CE1 PHE A 73 5.790 8.004 -11.280 1.00 4.39 C ATOM 1156 CE2 PHE A 73 5.407 5.620 -11.015 1.00 4.15 C ATOM 1157 CZ PHE A 73 5.771 6.710 -11.823 1.00 4.70 C ATOM 0 H PHE A 73 4.259 9.698 -8.132 1.00 0.69 H new ATOM 0 HA PHE A 73 2.608 7.655 -7.772 1.00 0.66 H new ATOM 0 HB2 PHE A 73 5.601 7.877 -7.252 1.00 0.80 H new ATOM 0 HB3 PHE A 73 4.784 6.327 -7.190 1.00 0.80 H new ATOM 0 HD1 PHE A 73 5.438 9.213 -9.528 1.00 3.03 H new ATOM 0 HD2 PHE A 73 4.706 4.994 -9.075 1.00 2.80 H new ATOM 0 HE1 PHE A 73 6.099 8.839 -11.891 1.00 4.39 H new ATOM 0 HE2 PHE A 73 5.437 4.618 -11.416 1.00 4.15 H new ATOM 0 HZ PHE A 73 6.035 6.553 -12.858 1.00 4.70 H new ATOM 1167 N ASN A 74 4.221 8.104 -4.883 1.00 0.61 N ATOM 1168 CA ASN A 74 4.251 7.816 -3.454 1.00 0.62 C ATOM 1169 C ASN A 74 3.136 8.545 -2.690 1.00 0.67 C ATOM 1170 O ASN A 74 2.713 8.060 -1.644 1.00 0.81 O ATOM 1171 CB ASN A 74 5.667 8.122 -2.936 1.00 0.61 C ATOM 1172 CG ASN A 74 5.875 7.919 -1.435 1.00 0.88 C ATOM 1173 OD1 ASN A 74 6.532 6.957 -1.020 1.00 1.56 O ATOM 1174 ND2 ASN A 74 5.407 8.846 -0.606 1.00 1.44 N ATOM 0 H ASN A 74 5.023 8.650 -5.199 1.00 0.61 H new ATOM 0 HA ASN A 74 4.041 6.761 -3.277 1.00 0.62 H new ATOM 0 HB2 ASN A 74 6.376 7.491 -3.472 1.00 0.61 H new ATOM 0 HB3 ASN A 74 5.910 9.155 -3.183 1.00 0.61 H new ATOM 0 HD21 ASN A 74 5.587 8.773 0.395 1.00 1.44 H new ATOM 0 HD22 ASN A 74 4.867 9.631 -0.971 1.00 1.44 H new ATOM 1181 N GLU A 75 2.653 9.689 -3.190 1.00 0.65 N ATOM 1182 CA GLU A 75 1.521 10.386 -2.591 1.00 0.70 C ATOM 1183 C GLU A 75 0.238 9.613 -2.900 1.00 0.70 C ATOM 1184 O GLU A 75 -0.450 9.184 -1.980 1.00 0.81 O ATOM 1185 CB GLU A 75 1.418 11.828 -3.104 1.00 0.76 C ATOM 1186 CG GLU A 75 2.644 12.690 -2.778 1.00 0.90 C ATOM 1187 CD GLU A 75 2.439 14.104 -3.291 1.00 0.97 C ATOM 1188 OE1 GLU A 75 2.629 14.392 -4.492 1.00 1.45 O ATOM 1189 OE2 GLU A 75 1.970 14.991 -2.554 1.00 2.16 O ATOM 0 H GLU A 75 3.036 10.150 -4.015 1.00 0.65 H new ATOM 0 HA GLU A 75 1.669 10.435 -1.512 1.00 0.70 H new ATOM 0 HB2 GLU A 75 1.275 11.810 -4.184 1.00 0.76 H new ATOM 0 HB3 GLU A 75 0.532 12.295 -2.673 1.00 0.76 H new ATOM 0 HG2 GLU A 75 2.811 12.706 -1.701 1.00 0.90 H new ATOM 0 HG3 GLU A 75 3.535 12.256 -3.232 1.00 0.90 H new ATOM 1196 N TYR A 76 -0.077 9.425 -4.190 1.00 0.68 N ATOM 1197 CA TYR A 76 -1.274 8.709 -4.623 1.00 0.72 C ATOM 1198 C TYR A 76 -1.335 7.366 -3.930 1.00 0.70 C ATOM 1199 O TYR A 76 -2.379 6.983 -3.408 1.00 0.71 O ATOM 1200 CB TYR A 76 -1.282 8.497 -6.150 1.00 0.74 C ATOM 1201 CG TYR A 76 -2.338 7.517 -6.666 1.00 0.91 C ATOM 1202 CD1 TYR A 76 -2.118 6.127 -6.588 1.00 1.72 C ATOM 1203 CD2 TYR A 76 -3.508 7.984 -7.294 1.00 2.23 C ATOM 1204 CE1 TYR A 76 -3.075 5.227 -7.087 1.00 2.05 C ATOM 1205 CE2 TYR A 76 -4.447 7.086 -7.827 1.00 2.55 C ATOM 1206 CZ TYR A 76 -4.221 5.705 -7.738 1.00 1.90 C ATOM 1207 OH TYR A 76 -5.032 4.833 -8.397 1.00 2.55 O ATOM 0 H TYR A 76 0.497 9.768 -4.960 1.00 0.68 H new ATOM 0 HA TYR A 76 -2.144 9.310 -4.358 1.00 0.72 H new ATOM 0 HB2 TYR A 76 -1.437 9.461 -6.634 1.00 0.74 H new ATOM 0 HB3 TYR A 76 -0.298 8.141 -6.457 1.00 0.74 H new ATOM 0 HD1 TYR A 76 -1.209 5.751 -6.142 1.00 1.72 H new ATOM 0 HD2 TYR A 76 -3.686 9.047 -7.367 1.00 2.23 H new ATOM 0 HE1 TYR A 76 -2.927 4.164 -6.969 1.00 2.05 H new ATOM 0 HE2 TYR A 76 -5.341 7.458 -8.304 1.00 2.55 H new ATOM 0 HH TYR A 76 -4.990 3.955 -7.963 1.00 2.55 H new ATOM 1217 N TRP A 77 -0.204 6.660 -3.955 1.00 0.70 N ATOM 1218 CA TRP A 77 -0.094 5.325 -3.426 1.00 0.71 C ATOM 1219 C TRP A 77 -0.737 5.215 -2.035 1.00 0.66 C ATOM 1220 O TRP A 77 -1.428 4.233 -1.773 1.00 0.68 O ATOM 1221 CB TRP A 77 1.373 4.888 -3.454 1.00 0.79 C ATOM 1222 CG TRP A 77 1.567 3.607 -2.739 1.00 1.01 C ATOM 1223 CD1 TRP A 77 1.166 2.396 -3.184 1.00 2.51 C ATOM 1224 CD2 TRP A 77 1.976 3.427 -1.358 1.00 1.45 C ATOM 1225 NE1 TRP A 77 1.300 1.478 -2.171 1.00 2.60 N ATOM 1226 CE2 TRP A 77 1.842 2.048 -1.047 1.00 1.50 C ATOM 1227 CE3 TRP A 77 2.371 4.290 -0.312 1.00 3.28 C ATOM 1228 CZ2 TRP A 77 2.172 1.533 0.206 1.00 2.01 C ATOM 1229 CZ3 TRP A 77 2.602 3.778 0.976 1.00 4.13 C ATOM 1230 CH2 TRP A 77 2.596 2.403 1.204 1.00 3.27 C ATOM 0 H TRP A 77 0.666 7.016 -4.351 1.00 0.70 H new ATOM 0 HA TRP A 77 -0.655 4.635 -4.056 1.00 0.71 H new ATOM 0 HB2 TRP A 77 1.704 4.784 -4.487 1.00 0.79 H new ATOM 0 HB3 TRP A 77 1.993 5.659 -2.997 1.00 0.79 H new ATOM 0 HD1 TRP A 77 0.799 2.184 -4.177 1.00 2.51 H new ATOM 0 HE1 TRP A 77 1.031 0.497 -2.245 1.00 2.60 H new ATOM 0 HE3 TRP A 77 2.496 5.346 -0.503 1.00 3.28 H new ATOM 0 HZ2 TRP A 77 2.099 0.473 0.399 1.00 2.01 H new ATOM 0 HZ3 TRP A 77 2.786 4.456 1.796 1.00 4.13 H new ATOM 0 HH2 TRP A 77 2.921 2.013 2.157 1.00 3.27 H new ATOM 1241 N ARG A 78 -0.576 6.228 -1.169 1.00 0.69 N ATOM 1242 CA ARG A 78 -1.230 6.276 0.139 1.00 0.73 C ATOM 1243 C ARG A 78 -2.702 5.851 0.082 1.00 0.65 C ATOM 1244 O ARG A 78 -3.168 5.154 0.979 1.00 0.69 O ATOM 1245 CB ARG A 78 -1.207 7.693 0.707 1.00 0.81 C ATOM 1246 CG ARG A 78 0.148 8.227 1.177 1.00 1.38 C ATOM 1247 CD ARG A 78 -0.090 9.678 1.628 1.00 1.49 C ATOM 1248 NE ARG A 78 0.966 10.180 2.517 1.00 2.30 N ATOM 1249 CZ ARG A 78 0.797 11.238 3.328 1.00 2.78 C ATOM 1250 NH1 ARG A 78 -0.261 12.041 3.162 1.00 2.98 N ATOM 1251 NH2 ARG A 78 1.683 11.483 4.302 1.00 4.03 N ATOM 0 H ARG A 78 0.014 7.037 -1.361 1.00 0.69 H new ATOM 0 HA ARG A 78 -0.671 5.582 0.767 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -1.593 8.370 -0.055 1.00 0.81 H new ATOM 0 HB3 ARG A 78 -1.898 7.733 1.549 1.00 0.81 H new ATOM 0 HG2 ARG A 78 0.540 7.625 1.997 1.00 1.38 H new ATOM 0 HG3 ARG A 78 0.882 8.186 0.372 1.00 1.38 H new ATOM 0 HD2 ARG A 78 -0.155 10.320 0.750 1.00 1.49 H new ATOM 0 HD3 ARG A 78 -1.050 9.741 2.140 1.00 1.49 H new ATOM 0 HE ARG A 78 1.868 9.704 2.519 1.00 2.30 H new ATOM 0 HH11 ARG A 78 -0.936 11.849 2.422 1.00 2.98 H new ATOM 0 HH12 ARG A 78 -0.392 12.845 3.776 1.00 2.98 H new ATOM 0 HH21 ARG A 78 2.486 10.867 4.428 1.00 4.03 H new ATOM 0 HH22 ARG A 78 1.555 12.286 4.918 1.00 4.03 H new ATOM 1265 N LEU A 79 -3.443 6.274 -0.948 1.00 0.60 N ATOM 1266 CA LEU A 79 -4.839 5.919 -1.117 1.00 0.63 C ATOM 1267 C LEU A 79 -5.035 4.410 -1.045 1.00 0.69 C ATOM 1268 O LEU A 79 -5.954 3.960 -0.362 1.00 0.77 O ATOM 1269 CB LEU A 79 -5.348 6.442 -2.465 1.00 0.71 C ATOM 1270 CG LEU A 79 -6.869 6.285 -2.608 1.00 0.78 C ATOM 1271 CD1 LEU A 79 -7.588 7.223 -1.636 1.00 0.88 C ATOM 1272 CD2 LEU A 79 -7.282 6.586 -4.052 1.00 1.05 C ATOM 0 H LEU A 79 -3.080 6.876 -1.687 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.407 6.377 -0.307 1.00 0.63 H new ATOM 0 HB2 LEU A 79 -5.081 7.494 -2.570 1.00 0.71 H new ATOM 0 HB3 LEU A 79 -4.851 5.905 -3.273 1.00 0.71 H new ATOM 0 HG LEU A 79 -7.151 5.260 -2.367 1.00 0.78 H new ATOM 0 HD11 LEU A 79 -8.666 7.104 -1.746 1.00 0.88 H new ATOM 0 HD12 LEU A 79 -7.298 6.980 -0.614 1.00 0.88 H new ATOM 0 HD13 LEU A 79 -7.313 8.255 -1.855 1.00 0.88 H new ATOM 0 HD21 LEU A 79 -8.362 6.474 -4.152 1.00 1.05 H new ATOM 0 HD22 LEU A 79 -6.998 7.607 -4.306 1.00 1.05 H new ATOM 0 HD23 LEU A 79 -6.781 5.891 -4.726 1.00 1.05 H new ATOM 1284 N ILE A 80 -4.168 3.639 -1.722 1.00 0.74 N ATOM 1285 CA ILE A 80 -4.220 2.191 -1.725 1.00 0.84 C ATOM 1286 C ILE A 80 -4.052 1.708 -0.280 1.00 0.95 C ATOM 1287 O ILE A 80 -4.601 0.687 0.108 1.00 0.99 O ATOM 1288 CB ILE A 80 -3.214 1.616 -2.744 1.00 0.89 C ATOM 1289 CG1 ILE A 80 -3.552 2.143 -4.155 1.00 0.96 C ATOM 1290 CG2 ILE A 80 -3.247 0.077 -2.738 1.00 1.05 C ATOM 1291 CD1 ILE A 80 -2.627 1.586 -5.241 1.00 1.47 C ATOM 0 H ILE A 80 -3.408 4.020 -2.285 1.00 0.74 H new ATOM 0 HA ILE A 80 -5.183 1.815 -2.069 1.00 0.84 H new ATOM 0 HB ILE A 80 -2.211 1.937 -2.463 1.00 0.89 H new ATOM 0 HG12 ILE A 80 -4.583 1.884 -4.396 1.00 0.96 H new ATOM 0 HG13 ILE A 80 -3.489 3.231 -4.155 1.00 0.96 H new ATOM 0 HG21 ILE A 80 -2.530 -0.305 -3.464 1.00 1.05 H new ATOM 0 HG22 ILE A 80 -2.987 -0.289 -1.745 1.00 1.05 H new ATOM 0 HG23 ILE A 80 -4.247 -0.267 -3.001 1.00 1.05 H new ATOM 0 HD11 ILE A 80 -2.916 1.994 -6.210 1.00 1.47 H new ATOM 0 HD12 ILE A 80 -1.597 1.868 -5.021 1.00 1.47 H new ATOM 0 HD13 ILE A 80 -2.709 0.499 -5.266 1.00 1.47 H new ATOM 1303 N GLY A 81 -3.350 2.491 0.538 1.00 1.07 N ATOM 1304 CA GLY A 81 -3.081 2.252 1.936 1.00 1.16 C ATOM 1305 C GLY A 81 -4.314 2.370 2.768 1.00 1.14 C ATOM 1306 O GLY A 81 -4.654 1.483 3.547 1.00 1.27 O ATOM 0 H GLY A 81 -2.932 3.362 0.211 1.00 1.07 H new ATOM 0 HA2 GLY A 81 -2.654 1.257 2.059 1.00 1.16 H new ATOM 0 HA3 GLY A 81 -2.335 2.964 2.289 1.00 1.16 H new ATOM 1310 N GLU A 82 -4.967 3.505 2.590 1.00 1.04 N ATOM 1311 CA GLU A 82 -6.180 3.798 3.297 1.00 1.08 C ATOM 1312 C GLU A 82 -7.154 2.697 2.920 1.00 1.08 C ATOM 1313 O GLU A 82 -7.510 1.900 3.771 1.00 1.12 O ATOM 1314 CB GLU A 82 -6.628 5.212 2.946 1.00 1.05 C ATOM 1315 CG GLU A 82 -5.466 6.183 3.236 1.00 1.03 C ATOM 1316 CD GLU A 82 -5.699 6.935 4.536 1.00 1.29 C ATOM 1317 OE1 GLU A 82 -5.417 6.313 5.589 1.00 2.02 O ATOM 1318 OE2 GLU A 82 -6.163 8.091 4.462 1.00 2.38 O ATOM 0 H GLU A 82 -4.665 4.241 1.951 1.00 1.04 H new ATOM 0 HA GLU A 82 -6.079 3.800 4.382 1.00 1.08 H new ATOM 0 HB2 GLU A 82 -6.915 5.268 1.896 1.00 1.05 H new ATOM 0 HB3 GLU A 82 -7.506 5.487 3.531 1.00 1.05 H new ATOM 0 HG2 GLU A 82 -4.529 5.628 3.295 1.00 1.03 H new ATOM 0 HG3 GLU A 82 -5.365 6.892 2.414 1.00 1.03 H new ATOM 1325 N LEU A 83 -7.479 2.534 1.640 1.00 1.14 N ATOM 1326 CA LEU A 83 -8.395 1.471 1.249 1.00 1.18 C ATOM 1327 C LEU A 83 -7.942 0.074 1.749 1.00 1.04 C ATOM 1328 O LEU A 83 -8.764 -0.695 2.250 1.00 1.04 O ATOM 1329 CB LEU A 83 -8.780 1.636 -0.231 1.00 1.79 C ATOM 1330 CG LEU A 83 -7.663 1.442 -1.263 1.00 0.84 C ATOM 1331 CD1 LEU A 83 -7.389 -0.013 -1.628 1.00 1.95 C ATOM 1332 CD2 LEU A 83 -7.936 2.214 -2.562 1.00 1.78 C ATOM 0 H LEU A 83 -7.131 3.110 0.874 1.00 1.14 H new ATOM 0 HA LEU A 83 -9.345 1.561 1.775 1.00 1.18 H new ATOM 0 HB2 LEU A 83 -9.577 0.927 -0.456 1.00 1.79 H new ATOM 0 HB3 LEU A 83 -9.196 2.635 -0.364 1.00 1.79 H new ATOM 0 HG LEU A 83 -6.779 1.837 -0.762 1.00 0.84 H new ATOM 0 HD11 LEU A 83 -6.585 -0.059 -2.363 1.00 1.95 H new ATOM 0 HD12 LEU A 83 -7.095 -0.563 -0.734 1.00 1.95 H new ATOM 0 HD13 LEU A 83 -8.291 -0.459 -2.048 1.00 1.95 H new ATOM 0 HD21 LEU A 83 -7.118 2.047 -3.263 1.00 1.78 H new ATOM 0 HD22 LEU A 83 -8.870 1.865 -3.003 1.00 1.78 H new ATOM 0 HD23 LEU A 83 -8.014 3.279 -2.343 1.00 1.78 H new ATOM 1344 N ALA A 84 -6.634 -0.225 1.732 1.00 1.05 N ATOM 1345 CA ALA A 84 -6.077 -1.467 2.275 1.00 1.09 C ATOM 1346 C ALA A 84 -6.293 -1.626 3.782 1.00 1.06 C ATOM 1347 O ALA A 84 -6.342 -2.743 4.283 1.00 1.25 O ATOM 1348 CB ALA A 84 -4.585 -1.607 1.954 1.00 1.19 C ATOM 0 H ALA A 84 -5.929 0.397 1.336 1.00 1.05 H new ATOM 0 HA ALA A 84 -6.630 -2.265 1.780 1.00 1.09 H new ATOM 0 HB1 ALA A 84 -4.209 -2.540 2.373 1.00 1.19 H new ATOM 0 HB2 ALA A 84 -4.444 -1.612 0.873 1.00 1.19 H new ATOM 0 HB3 ALA A 84 -4.039 -0.769 2.387 1.00 1.19 H new ATOM 1354 N LYS A 85 -6.375 -0.523 4.517 1.00 0.98 N ATOM 1355 CA LYS A 85 -6.684 -0.473 5.941 1.00 1.03 C ATOM 1356 C LYS A 85 -8.202 -0.579 6.145 1.00 1.04 C ATOM 1357 O LYS A 85 -8.678 -1.318 7.013 1.00 1.13 O ATOM 1358 CB LYS A 85 -6.047 0.824 6.460 1.00 1.14 C ATOM 1359 CG LYS A 85 -6.562 1.473 7.749 1.00 1.08 C ATOM 1360 CD LYS A 85 -6.145 2.959 7.746 1.00 1.69 C ATOM 1361 CE LYS A 85 -4.644 3.189 7.462 1.00 1.17 C ATOM 1362 NZ LYS A 85 -4.321 4.607 7.197 1.00 1.18 N ATOM 0 H LYS A 85 -6.221 0.403 4.118 1.00 0.98 H new ATOM 0 HA LYS A 85 -6.276 -1.308 6.511 1.00 1.03 H new ATOM 0 HB2 LYS A 85 -4.984 0.629 6.599 1.00 1.14 H new ATOM 0 HB3 LYS A 85 -6.134 1.567 5.667 1.00 1.14 H new ATOM 0 HG2 LYS A 85 -7.647 1.383 7.812 1.00 1.08 H new ATOM 0 HG3 LYS A 85 -6.149 0.965 8.621 1.00 1.08 H new ATOM 0 HD2 LYS A 85 -6.732 3.489 6.996 1.00 1.69 H new ATOM 0 HD3 LYS A 85 -6.393 3.397 8.713 1.00 1.69 H new ATOM 0 HE2 LYS A 85 -4.060 2.842 8.314 1.00 1.17 H new ATOM 0 HE3 LYS A 85 -4.345 2.587 6.604 1.00 1.17 H new ATOM 0 HZ1 LYS A 85 -3.328 4.687 6.897 1.00 1.18 H new ATOM 0 HZ2 LYS A 85 -4.940 4.969 6.444 1.00 1.18 H new ATOM 0 HZ3 LYS A 85 -4.467 5.164 8.063 1.00 1.18 H new ATOM 1376 N GLU A 86 -8.967 0.152 5.338 1.00 1.03 N ATOM 1377 CA GLU A 86 -10.411 0.260 5.438 1.00 1.10 C ATOM 1378 C GLU A 86 -11.085 -1.095 5.198 1.00 1.10 C ATOM 1379 O GLU A 86 -12.145 -1.346 5.771 1.00 1.28 O ATOM 1380 CB GLU A 86 -10.931 1.395 4.537 1.00 1.09 C ATOM 1381 CG GLU A 86 -10.302 2.757 4.916 1.00 1.29 C ATOM 1382 CD GLU A 86 -10.739 3.256 6.291 1.00 1.89 C ATOM 1383 OE1 GLU A 86 -11.964 3.378 6.497 1.00 2.37 O ATOM 1384 OE2 GLU A 86 -9.834 3.485 7.128 1.00 2.59 O ATOM 0 H GLU A 86 -8.580 0.703 4.571 1.00 1.03 H new ATOM 0 HA GLU A 86 -10.684 0.538 6.456 1.00 1.10 H new ATOM 0 HB2 GLU A 86 -10.705 1.166 3.496 1.00 1.09 H new ATOM 0 HB3 GLU A 86 -12.016 1.459 4.621 1.00 1.09 H new ATOM 0 HG2 GLU A 86 -9.216 2.667 4.897 1.00 1.29 H new ATOM 0 HG3 GLU A 86 -10.574 3.498 4.164 1.00 1.29 H new ATOM 1391 N ILE A 87 -10.454 -2.020 4.455 1.00 1.02 N ATOM 1392 CA ILE A 87 -10.911 -3.400 4.409 1.00 1.09 C ATOM 1393 C ILE A 87 -11.176 -3.985 5.800 1.00 1.21 C ATOM 1394 O ILE A 87 -12.073 -4.818 5.944 1.00 1.42 O ATOM 1395 CB ILE A 87 -9.908 -4.283 3.661 1.00 1.04 C ATOM 1396 CG1 ILE A 87 -10.624 -5.593 3.306 1.00 1.22 C ATOM 1397 CG2 ILE A 87 -8.670 -4.595 4.511 1.00 1.06 C ATOM 1398 CD1 ILE A 87 -9.908 -6.245 2.147 1.00 1.32 C ATOM 0 H ILE A 87 -9.631 -1.828 3.884 1.00 1.02 H new ATOM 0 HA ILE A 87 -11.859 -3.389 3.872 1.00 1.09 H new ATOM 0 HB ILE A 87 -9.563 -3.756 2.771 1.00 1.04 H new ATOM 0 HG12 ILE A 87 -10.634 -6.262 4.167 1.00 1.22 H new ATOM 0 HG13 ILE A 87 -11.663 -5.395 3.044 1.00 1.22 H new ATOM 0 HG21 ILE A 87 -7.986 -5.224 3.941 1.00 1.06 H new ATOM 0 HG22 ILE A 87 -8.169 -3.665 4.780 1.00 1.06 H new ATOM 0 HG23 ILE A 87 -8.974 -5.119 5.417 1.00 1.06 H new ATOM 0 HD11 ILE A 87 -10.410 -7.177 1.887 1.00 1.32 H new ATOM 0 HD12 ILE A 87 -9.921 -5.574 1.288 1.00 1.32 H new ATOM 0 HD13 ILE A 87 -8.876 -6.455 2.428 1.00 1.32 H new ATOM 1410 N ARG A 88 -10.380 -3.575 6.794 1.00 1.21 N ATOM 1411 CA ARG A 88 -10.514 -3.984 8.178 1.00 1.40 C ATOM 1412 C ARG A 88 -11.308 -2.916 8.929 1.00 1.50 C ATOM 1413 O ARG A 88 -12.260 -3.243 9.634 1.00 1.88 O ATOM 1414 CB ARG A 88 -9.118 -4.229 8.781 1.00 1.51 C ATOM 1415 CG ARG A 88 -9.209 -4.949 10.135 1.00 2.02 C ATOM 1416 CD ARG A 88 -7.856 -5.511 10.601 1.00 2.39 C ATOM 1417 NE ARG A 88 -6.918 -4.458 11.030 1.00 2.68 N ATOM 1418 CZ ARG A 88 -5.769 -4.685 11.696 1.00 3.80 C ATOM 1419 NH1 ARG A 88 -5.362 -5.939 11.925 1.00 4.43 N ATOM 1420 NH2 ARG A 88 -5.037 -3.657 12.137 1.00 5.11 N ATOM 0 H ARG A 88 -9.604 -2.930 6.643 1.00 1.21 H new ATOM 0 HA ARG A 88 -11.061 -4.923 8.260 1.00 1.40 H new ATOM 0 HB2 ARG A 88 -8.521 -4.825 8.090 1.00 1.51 H new ATOM 0 HB3 ARG A 88 -8.603 -3.277 8.908 1.00 1.51 H new ATOM 0 HG2 ARG A 88 -9.588 -4.255 10.886 1.00 2.02 H new ATOM 0 HG3 ARG A 88 -9.930 -5.763 10.061 1.00 2.02 H new ATOM 0 HD2 ARG A 88 -8.020 -6.203 11.427 1.00 2.39 H new ATOM 0 HD3 ARG A 88 -7.406 -6.083 9.790 1.00 2.39 H new ATOM 0 HE ARG A 88 -7.155 -3.491 10.807 1.00 2.68 H new ATOM 0 HH11 ARG A 88 -5.922 -6.725 11.595 1.00 4.43 H new ATOM 0 HH12 ARG A 88 -4.492 -6.109 12.429 1.00 4.43 H new ATOM 0 HH21 ARG A 88 -5.348 -2.700 11.969 1.00 5.11 H new ATOM 0 HH22 ARG A 88 -4.167 -3.829 12.641 1.00 5.11 H new ATOM 1434 N LYS A 89 -10.938 -1.638 8.775 1.00 1.36 N ATOM 1435 CA LYS A 89 -11.531 -0.556 9.555 1.00 1.53 C ATOM 1436 C LYS A 89 -13.023 -0.327 9.253 1.00 2.01 C ATOM 1437 O LYS A 89 -13.719 0.275 10.067 1.00 2.65 O ATOM 1438 CB LYS A 89 -10.685 0.721 9.448 1.00 1.42 C ATOM 1439 CG LYS A 89 -10.975 1.677 10.611 1.00 1.85 C ATOM 1440 CD LYS A 89 -10.144 2.950 10.455 1.00 1.86 C ATOM 1441 CE LYS A 89 -10.498 3.926 11.583 1.00 2.72 C ATOM 1442 NZ LYS A 89 -9.858 5.240 11.387 1.00 2.86 N ATOM 0 H LYS A 89 -10.226 -1.332 8.112 1.00 1.36 H new ATOM 0 HA LYS A 89 -11.515 -0.868 10.599 1.00 1.53 H new ATOM 0 HB2 LYS A 89 -9.627 0.460 9.444 1.00 1.42 H new ATOM 0 HB3 LYS A 89 -10.894 1.221 8.502 1.00 1.42 H new ATOM 0 HG2 LYS A 89 -12.036 1.925 10.634 1.00 1.85 H new ATOM 0 HG3 LYS A 89 -10.741 1.193 11.559 1.00 1.85 H new ATOM 0 HD2 LYS A 89 -9.081 2.710 10.486 1.00 1.86 H new ATOM 0 HD3 LYS A 89 -10.339 3.409 9.486 1.00 1.86 H new ATOM 0 HE2 LYS A 89 -11.580 4.051 11.630 1.00 2.72 H new ATOM 0 HE3 LYS A 89 -10.184 3.507 12.539 1.00 2.72 H new ATOM 0 HZ1 LYS A 89 -10.120 5.874 12.169 1.00 2.86 H new ATOM 0 HZ2 LYS A 89 -8.825 5.123 11.367 1.00 2.86 H new ATOM 0 HZ3 LYS A 89 -10.177 5.651 10.487 1.00 2.86 H new ATOM 1710 N LEU B 6 -15.557 -7.445 -1.145 1.00 1.77 N ATOM 1711 CA LEU B 6 -16.183 -6.192 -1.562 1.00 2.09 C ATOM 1712 C LEU B 6 -16.086 -5.923 -3.079 1.00 2.19 C ATOM 1713 O LEU B 6 -17.109 -5.613 -3.687 1.00 3.33 O ATOM 1714 CB LEU B 6 -15.586 -5.015 -0.761 1.00 2.73 C ATOM 1715 CG LEU B 6 -15.241 -5.314 0.719 1.00 2.94 C ATOM 1716 CD1 LEU B 6 -14.370 -4.222 1.361 1.00 4.24 C ATOM 1717 CD2 LEU B 6 -16.521 -5.423 1.551 1.00 3.69 C ATOM 0 HA LEU B 6 -17.247 -6.288 -1.346 1.00 2.09 H new ATOM 0 HB2 LEU B 6 -14.680 -4.680 -1.265 1.00 2.73 H new ATOM 0 HB3 LEU B 6 -16.292 -4.185 -0.789 1.00 2.73 H new ATOM 0 HG LEU B 6 -14.686 -6.252 0.713 1.00 2.94 H new ATOM 0 HD11 LEU B 6 -14.161 -4.486 2.398 1.00 4.24 H new ATOM 0 HD12 LEU B 6 -13.432 -4.135 0.812 1.00 4.24 H new ATOM 0 HD13 LEU B 6 -14.899 -3.269 1.329 1.00 4.24 H new ATOM 0 HD21 LEU B 6 -16.263 -5.633 2.589 1.00 3.69 H new ATOM 0 HD22 LEU B 6 -17.071 -4.484 1.497 1.00 3.69 H new ATOM 0 HD23 LEU B 6 -17.141 -6.230 1.160 1.00 3.69 H new ATOM 1729 N THR B 7 -14.892 -5.956 -3.697 1.00 1.70 N ATOM 1730 CA THR B 7 -14.682 -5.566 -5.108 1.00 1.70 C ATOM 1731 C THR B 7 -13.266 -5.947 -5.581 1.00 1.64 C ATOM 1732 O THR B 7 -12.536 -6.569 -4.830 1.00 2.25 O ATOM 1733 CB THR B 7 -15.012 -4.072 -5.335 1.00 1.86 C ATOM 1734 OG1 THR B 7 -14.772 -3.687 -6.680 1.00 1.92 O ATOM 1735 CG2 THR B 7 -14.231 -3.139 -4.409 1.00 2.18 C ATOM 0 H THR B 7 -14.037 -6.256 -3.230 1.00 1.70 H new ATOM 0 HA THR B 7 -15.380 -6.129 -5.727 1.00 1.70 H new ATOM 0 HB THR B 7 -16.072 -3.972 -5.103 1.00 1.86 H new ATOM 0 HG1 THR B 7 -14.368 -2.794 -6.698 1.00 1.92 H new ATOM 0 HG21 THR B 7 -14.507 -2.105 -4.617 1.00 2.18 H new ATOM 0 HG22 THR B 7 -14.467 -3.375 -3.371 1.00 2.18 H new ATOM 0 HG23 THR B 7 -13.162 -3.270 -4.577 1.00 2.18 H new ATOM 1743 N GLU B 8 -12.854 -5.592 -6.805 1.00 1.41 N ATOM 1744 CA GLU B 8 -11.648 -6.135 -7.440 1.00 1.40 C ATOM 1745 C GLU B 8 -10.367 -5.607 -6.790 1.00 1.21 C ATOM 1746 O GLU B 8 -9.618 -6.366 -6.171 1.00 1.22 O ATOM 1747 CB GLU B 8 -11.686 -5.867 -8.949 1.00 1.55 C ATOM 1748 CG GLU B 8 -10.423 -6.384 -9.658 1.00 1.60 C ATOM 1749 CD GLU B 8 -10.577 -6.412 -11.177 1.00 2.03 C ATOM 1750 OE1 GLU B 8 -11.550 -5.795 -11.667 1.00 2.71 O ATOM 1751 OE2 GLU B 8 -9.712 -7.042 -11.819 1.00 2.31 O ATOM 0 H GLU B 8 -13.351 -4.916 -7.385 1.00 1.41 H new ATOM 0 HA GLU B 8 -11.636 -7.214 -7.286 1.00 1.40 H new ATOM 0 HB2 GLU B 8 -12.565 -6.346 -9.380 1.00 1.55 H new ATOM 0 HB3 GLU B 8 -11.788 -4.796 -9.125 1.00 1.55 H new ATOM 0 HG2 GLU B 8 -9.576 -5.751 -9.393 1.00 1.60 H new ATOM 0 HG3 GLU B 8 -10.194 -7.388 -9.300 1.00 1.60 H new ATOM 1758 N LEU B 9 -10.086 -4.304 -6.932 1.00 1.06 N ATOM 1759 CA LEU B 9 -8.963 -3.685 -6.240 1.00 0.97 C ATOM 1760 C LEU B 9 -8.972 -4.050 -4.758 1.00 0.88 C ATOM 1761 O LEU B 9 -7.929 -4.378 -4.197 1.00 0.84 O ATOM 1762 CB LEU B 9 -8.988 -2.166 -6.439 1.00 0.96 C ATOM 1763 CG LEU B 9 -8.239 -1.774 -7.717 1.00 1.04 C ATOM 1764 CD1 LEU B 9 -8.632 -0.351 -8.118 1.00 1.14 C ATOM 1765 CD2 LEU B 9 -6.719 -1.811 -7.488 1.00 1.26 C ATOM 0 H LEU B 9 -10.623 -3.666 -7.519 1.00 1.06 H new ATOM 0 HA LEU B 9 -8.036 -4.068 -6.668 1.00 0.97 H new ATOM 0 HB2 LEU B 9 -10.020 -1.819 -6.495 1.00 0.96 H new ATOM 0 HB3 LEU B 9 -8.533 -1.674 -5.579 1.00 0.96 H new ATOM 0 HG LEU B 9 -8.504 -2.482 -8.502 1.00 1.04 H new ATOM 0 HD11 LEU B 9 -8.101 -0.069 -9.027 1.00 1.14 H new ATOM 0 HD12 LEU B 9 -9.706 -0.307 -8.297 1.00 1.14 H new ATOM 0 HD13 LEU B 9 -8.370 0.339 -7.316 1.00 1.14 H new ATOM 0 HD21 LEU B 9 -6.206 -1.530 -8.407 1.00 1.26 H new ATOM 0 HD22 LEU B 9 -6.453 -1.112 -6.695 1.00 1.26 H new ATOM 0 HD23 LEU B 9 -6.419 -2.818 -7.199 1.00 1.26 H new ATOM 1777 N GLU B 10 -10.152 -4.031 -4.135 1.00 0.91 N ATOM 1778 CA GLU B 10 -10.343 -4.566 -2.811 1.00 0.94 C ATOM 1779 C GLU B 10 -9.757 -5.979 -2.658 1.00 1.05 C ATOM 1780 O GLU B 10 -8.825 -6.129 -1.876 1.00 1.39 O ATOM 1781 CB GLU B 10 -11.806 -4.430 -2.435 1.00 1.09 C ATOM 1782 CG GLU B 10 -12.018 -4.867 -0.992 1.00 2.98 C ATOM 1783 CD GLU B 10 -12.474 -6.312 -0.840 1.00 4.45 C ATOM 1784 OE1 GLU B 10 -13.075 -6.828 -1.807 1.00 4.80 O ATOM 1785 OE2 GLU B 10 -12.310 -6.839 0.279 1.00 5.84 O ATOM 0 H GLU B 10 -10.998 -3.639 -4.548 1.00 0.91 H new ATOM 0 HA GLU B 10 -9.772 -3.985 -2.087 1.00 0.94 H new ATOM 0 HB2 GLU B 10 -12.127 -3.396 -2.561 1.00 1.09 H new ATOM 0 HB3 GLU B 10 -12.419 -5.038 -3.101 1.00 1.09 H new ATOM 0 HG2 GLU B 10 -11.087 -4.732 -0.442 1.00 2.98 H new ATOM 0 HG3 GLU B 10 -12.758 -4.213 -0.531 1.00 2.98 H new ATOM 1792 N GLU B 11 -10.202 -7.003 -3.398 1.00 1.11 N ATOM 1793 CA GLU B 11 -9.609 -8.334 -3.275 1.00 1.07 C ATOM 1794 C GLU B 11 -8.079 -8.242 -3.414 1.00 0.92 C ATOM 1795 O GLU B 11 -7.321 -8.887 -2.687 1.00 0.94 O ATOM 1796 CB GLU B 11 -10.097 -9.323 -4.352 1.00 1.21 C ATOM 1797 CG GLU B 11 -11.614 -9.499 -4.482 1.00 2.26 C ATOM 1798 CD GLU B 11 -11.983 -10.897 -4.968 1.00 2.98 C ATOM 1799 OE1 GLU B 11 -11.738 -11.850 -4.199 1.00 3.69 O ATOM 1800 OE2 GLU B 11 -12.489 -10.991 -6.108 1.00 3.75 O ATOM 0 H GLU B 11 -10.960 -6.934 -4.078 1.00 1.11 H new ATOM 0 HA GLU B 11 -9.914 -8.702 -2.296 1.00 1.07 H new ATOM 0 HB2 GLU B 11 -9.708 -8.997 -5.316 1.00 1.21 H new ATOM 0 HB3 GLU B 11 -9.657 -10.298 -4.144 1.00 1.21 H new ATOM 0 HG2 GLU B 11 -12.085 -9.314 -3.517 1.00 2.26 H new ATOM 0 HG3 GLU B 11 -12.008 -8.757 -5.177 1.00 2.26 H new ATOM 1807 N SER B 12 -7.623 -7.418 -4.367 1.00 0.90 N ATOM 1808 CA SER B 12 -6.207 -7.212 -4.635 1.00 0.85 C ATOM 1809 C SER B 12 -5.455 -6.619 -3.438 1.00 0.76 C ATOM 1810 O SER B 12 -4.261 -6.886 -3.308 1.00 0.93 O ATOM 1811 CB SER B 12 -5.995 -6.357 -5.890 1.00 1.05 C ATOM 1812 OG SER B 12 -4.650 -6.454 -6.318 1.00 1.63 O ATOM 0 H SER B 12 -8.237 -6.875 -4.974 1.00 0.90 H new ATOM 0 HA SER B 12 -5.784 -8.200 -4.815 1.00 0.85 H new ATOM 0 HB2 SER B 12 -6.663 -6.690 -6.684 1.00 1.05 H new ATOM 0 HB3 SER B 12 -6.244 -5.317 -5.678 1.00 1.05 H new ATOM 0 HG SER B 12 -4.387 -5.621 -6.762 1.00 1.63 H new ATOM 1818 N ILE B 13 -6.095 -5.809 -2.583 1.00 0.79 N ATOM 1819 CA ILE B 13 -5.497 -5.452 -1.299 1.00 0.85 C ATOM 1820 C ILE B 13 -5.701 -6.567 -0.274 1.00 0.92 C ATOM 1821 O ILE B 13 -4.789 -6.824 0.510 1.00 1.04 O ATOM 1822 CB ILE B 13 -5.828 -4.031 -0.790 1.00 0.90 C ATOM 1823 CG1 ILE B 13 -7.297 -3.617 -0.789 1.00 0.86 C ATOM 1824 CG2 ILE B 13 -5.051 -3.025 -1.655 1.00 0.89 C ATOM 1825 CD1 ILE B 13 -8.109 -4.209 0.357 1.00 1.09 C ATOM 0 H ILE B 13 -7.012 -5.397 -2.757 1.00 0.79 H new ATOM 0 HA ILE B 13 -4.423 -5.375 -1.471 1.00 0.85 H new ATOM 0 HB ILE B 13 -5.541 -4.038 0.262 1.00 0.90 H new ATOM 0 HG12 ILE B 13 -7.357 -2.530 -0.739 1.00 0.86 H new ATOM 0 HG13 ILE B 13 -7.749 -3.918 -1.734 1.00 0.86 H new ATOM 0 HG21 ILE B 13 -5.267 -2.012 -1.317 1.00 0.89 H new ATOM 0 HG22 ILE B 13 -3.982 -3.218 -1.565 1.00 0.89 H new ATOM 0 HG23 ILE B 13 -5.353 -3.132 -2.697 1.00 0.89 H new ATOM 0 HD11 ILE B 13 -9.141 -3.867 0.286 1.00 1.09 H new ATOM 0 HD12 ILE B 13 -8.083 -5.297 0.298 1.00 1.09 H new ATOM 0 HD13 ILE B 13 -7.685 -3.887 1.308 1.00 1.09 H new ATOM 1837 N GLU B 14 -6.841 -7.266 -0.297 1.00 0.89 N ATOM 1838 CA GLU B 14 -7.114 -8.350 0.635 1.00 0.92 C ATOM 1839 C GLU B 14 -5.931 -9.330 0.586 1.00 0.90 C ATOM 1840 O GLU B 14 -5.293 -9.575 1.604 1.00 0.91 O ATOM 1841 CB GLU B 14 -8.469 -9.027 0.369 1.00 1.02 C ATOM 1842 CG GLU B 14 -8.981 -9.766 1.622 1.00 1.20 C ATOM 1843 CD GLU B 14 -8.037 -10.847 2.139 1.00 1.94 C ATOM 1844 OE1 GLU B 14 -7.620 -11.687 1.312 1.00 3.03 O ATOM 1845 OE2 GLU B 14 -7.719 -10.790 3.346 1.00 2.93 O ATOM 0 H GLU B 14 -7.594 -7.092 -0.962 1.00 0.89 H new ATOM 0 HA GLU B 14 -7.205 -7.952 1.646 1.00 0.92 H new ATOM 0 HB2 GLU B 14 -9.199 -8.277 0.063 1.00 1.02 H new ATOM 0 HB3 GLU B 14 -8.370 -9.732 -0.457 1.00 1.02 H new ATOM 0 HG2 GLU B 14 -9.151 -9.038 2.415 1.00 1.20 H new ATOM 0 HG3 GLU B 14 -9.945 -10.220 1.394 1.00 1.20 H new ATOM 1852 N THR B 15 -5.564 -9.808 -0.608 1.00 0.87 N ATOM 1853 CA THR B 15 -4.517 -10.818 -0.751 1.00 0.86 C ATOM 1854 C THR B 15 -3.183 -10.405 -0.094 1.00 0.83 C ATOM 1855 O THR B 15 -2.477 -11.255 0.454 1.00 0.96 O ATOM 1856 CB THR B 15 -4.369 -11.269 -2.214 1.00 0.88 C ATOM 1857 OG1 THR B 15 -3.587 -12.445 -2.297 1.00 1.25 O ATOM 1858 CG2 THR B 15 -3.769 -10.202 -3.127 1.00 0.74 C ATOM 0 H THR B 15 -5.980 -9.509 -1.490 1.00 0.87 H new ATOM 0 HA THR B 15 -4.839 -11.694 -0.188 1.00 0.86 H new ATOM 0 HB THR B 15 -5.383 -11.461 -2.566 1.00 0.88 H new ATOM 0 HG1 THR B 15 -3.505 -12.718 -3.235 1.00 1.25 H new ATOM 0 HG21 THR B 15 -3.695 -10.592 -4.142 1.00 0.74 H new ATOM 0 HG22 THR B 15 -4.408 -9.319 -3.123 1.00 0.74 H new ATOM 0 HG23 THR B 15 -2.775 -9.933 -2.768 1.00 0.74 H new ATOM 1866 N VAL B 16 -2.811 -9.119 -0.122 1.00 0.75 N ATOM 1867 CA VAL B 16 -1.607 -8.672 0.580 1.00 0.74 C ATOM 1868 C VAL B 16 -1.901 -8.494 2.071 1.00 0.76 C ATOM 1869 O VAL B 16 -1.054 -8.813 2.905 1.00 0.77 O ATOM 1870 CB VAL B 16 -0.935 -7.441 -0.058 1.00 0.72 C ATOM 1871 CG1 VAL B 16 -0.592 -7.702 -1.528 1.00 0.76 C ATOM 1872 CG2 VAL B 16 -1.746 -6.147 0.028 1.00 0.73 C ATOM 0 H VAL B 16 -3.318 -8.383 -0.614 1.00 0.75 H new ATOM 0 HA VAL B 16 -0.860 -9.459 0.476 1.00 0.74 H new ATOM 0 HB VAL B 16 -0.034 -7.291 0.536 1.00 0.72 H new ATOM 0 HG11 VAL B 16 -0.119 -6.817 -1.954 1.00 0.76 H new ATOM 0 HG12 VAL B 16 0.092 -8.548 -1.597 1.00 0.76 H new ATOM 0 HG13 VAL B 16 -1.505 -7.927 -2.080 1.00 0.76 H new ATOM 0 HG21 VAL B 16 -1.192 -5.338 -0.448 1.00 0.73 H new ATOM 0 HG22 VAL B 16 -2.700 -6.281 -0.481 1.00 0.73 H new ATOM 0 HG23 VAL B 16 -1.925 -5.898 1.074 1.00 0.73 H new ATOM 1882 N VAL B 17 -3.095 -8.010 2.420 1.00 0.79 N ATOM 1883 CA VAL B 17 -3.530 -7.845 3.798 1.00 0.79 C ATOM 1884 C VAL B 17 -3.500 -9.187 4.537 1.00 0.80 C ATOM 1885 O VAL B 17 -2.975 -9.247 5.645 1.00 0.83 O ATOM 1886 CB VAL B 17 -4.892 -7.127 3.853 1.00 0.83 C ATOM 1887 CG1 VAL B 17 -5.547 -7.191 5.239 1.00 0.86 C ATOM 1888 CG2 VAL B 17 -4.701 -5.650 3.476 1.00 0.87 C ATOM 0 H VAL B 17 -3.794 -7.718 1.737 1.00 0.79 H new ATOM 0 HA VAL B 17 -2.831 -7.198 4.329 1.00 0.79 H new ATOM 0 HB VAL B 17 -5.549 -7.639 3.150 1.00 0.83 H new ATOM 0 HG11 VAL B 17 -6.503 -6.668 5.214 1.00 0.86 H new ATOM 0 HG12 VAL B 17 -5.710 -8.232 5.517 1.00 0.86 H new ATOM 0 HG13 VAL B 17 -4.894 -6.718 5.972 1.00 0.86 H new ATOM 0 HG21 VAL B 17 -5.662 -5.138 3.513 1.00 0.87 H new ATOM 0 HG22 VAL B 17 -4.012 -5.181 4.179 1.00 0.87 H new ATOM 0 HG23 VAL B 17 -4.293 -5.582 2.468 1.00 0.87 H new ATOM 1898 N THR B 18 -4.003 -10.277 3.955 1.00 0.87 N ATOM 1899 CA THR B 18 -3.894 -11.586 4.586 1.00 0.97 C ATOM 1900 C THR B 18 -2.420 -11.974 4.775 1.00 0.97 C ATOM 1901 O THR B 18 -2.049 -12.436 5.853 1.00 1.02 O ATOM 1902 CB THR B 18 -4.742 -12.651 3.867 1.00 1.16 C ATOM 1903 OG1 THR B 18 -4.664 -13.887 4.553 1.00 1.28 O ATOM 1904 CG2 THR B 18 -4.350 -12.862 2.406 1.00 1.34 C ATOM 0 H THR B 18 -4.485 -10.277 3.056 1.00 0.87 H new ATOM 0 HA THR B 18 -4.324 -11.527 5.586 1.00 0.97 H new ATOM 0 HB THR B 18 -5.764 -12.272 3.873 1.00 1.16 H new ATOM 0 HG1 THR B 18 -5.209 -14.555 4.087 1.00 1.28 H new ATOM 0 HG21 THR B 18 -4.990 -13.626 1.964 1.00 1.34 H new ATOM 0 HG22 THR B 18 -4.470 -11.927 1.858 1.00 1.34 H new ATOM 0 HG23 THR B 18 -3.310 -13.184 2.351 1.00 1.34 H new ATOM 1912 N THR B 19 -1.558 -11.765 3.772 1.00 0.93 N ATOM 1913 CA THR B 19 -0.138 -12.083 3.884 1.00 0.95 C ATOM 1914 C THR B 19 0.474 -11.317 5.070 1.00 0.95 C ATOM 1915 O THR B 19 1.067 -11.906 5.973 1.00 1.06 O ATOM 1916 CB THR B 19 0.547 -11.807 2.532 1.00 0.92 C ATOM 1917 OG1 THR B 19 -0.182 -12.441 1.496 1.00 0.92 O ATOM 1918 CG2 THR B 19 1.972 -12.369 2.479 1.00 0.92 C ATOM 0 H THR B 19 -1.827 -11.374 2.869 1.00 0.93 H new ATOM 0 HA THR B 19 0.016 -13.140 4.101 1.00 0.95 H new ATOM 0 HB THR B 19 0.579 -10.724 2.410 1.00 0.92 H new ATOM 0 HG1 THR B 19 -0.908 -11.853 1.200 1.00 0.92 H new ATOM 0 HG21 THR B 19 2.414 -12.150 1.507 1.00 0.92 H new ATOM 0 HG22 THR B 19 2.574 -11.909 3.263 1.00 0.92 H new ATOM 0 HG23 THR B 19 1.943 -13.448 2.629 1.00 0.92 H new ATOM 1926 N PHE B 20 0.262 -9.998 5.096 1.00 0.87 N ATOM 1927 CA PHE B 20 0.593 -9.114 6.211 1.00 0.90 C ATOM 1928 C PHE B 20 0.116 -9.708 7.543 1.00 0.96 C ATOM 1929 O PHE B 20 0.916 -9.962 8.439 1.00 1.03 O ATOM 1930 CB PHE B 20 -0.009 -7.720 5.929 1.00 0.89 C ATOM 1931 CG PHE B 20 -0.495 -6.919 7.126 1.00 1.57 C ATOM 1932 CD1 PHE B 20 0.422 -6.412 8.059 1.00 2.77 C ATOM 1933 CD2 PHE B 20 -1.875 -6.729 7.340 1.00 2.85 C ATOM 1934 CE1 PHE B 20 -0.039 -5.786 9.232 1.00 3.67 C ATOM 1935 CE2 PHE B 20 -2.337 -6.119 8.517 1.00 3.88 C ATOM 1936 CZ PHE B 20 -1.417 -5.668 9.475 1.00 3.90 C ATOM 0 H PHE B 20 -0.160 -9.501 4.312 1.00 0.87 H new ATOM 0 HA PHE B 20 1.674 -9.010 6.302 1.00 0.90 H new ATOM 0 HB2 PHE B 20 0.742 -7.127 5.408 1.00 0.89 H new ATOM 0 HB3 PHE B 20 -0.847 -7.846 5.244 1.00 0.89 H new ATOM 0 HD1 PHE B 20 1.483 -6.502 7.877 1.00 2.77 H new ATOM 0 HD2 PHE B 20 -2.583 -7.055 6.592 1.00 2.85 H new ATOM 0 HE1 PHE B 20 0.669 -5.395 9.948 1.00 3.67 H new ATOM 0 HE2 PHE B 20 -3.397 -5.997 8.684 1.00 3.88 H new ATOM 0 HZ PHE B 20 -1.768 -5.231 10.398 1.00 3.90 H new ATOM 1946 N PHE B 21 -1.193 -9.916 7.666 1.00 0.97 N ATOM 1947 CA PHE B 21 -1.863 -10.308 8.896 1.00 1.07 C ATOM 1948 C PHE B 21 -1.318 -11.638 9.416 1.00 1.14 C ATOM 1949 O PHE B 21 -0.958 -11.751 10.588 1.00 1.23 O ATOM 1950 CB PHE B 21 -3.371 -10.370 8.624 1.00 1.15 C ATOM 1951 CG PHE B 21 -4.227 -10.768 9.810 1.00 1.17 C ATOM 1952 CD1 PHE B 21 -4.308 -9.930 10.939 1.00 2.61 C ATOM 1953 CD2 PHE B 21 -5.002 -11.943 9.755 1.00 1.89 C ATOM 1954 CE1 PHE B 21 -5.185 -10.250 11.991 1.00 2.83 C ATOM 1955 CE2 PHE B 21 -5.868 -12.266 10.813 1.00 2.24 C ATOM 1956 CZ PHE B 21 -5.967 -11.415 11.927 1.00 2.01 C ATOM 0 H PHE B 21 -1.836 -9.811 6.881 1.00 0.97 H new ATOM 0 HA PHE B 21 -1.673 -9.573 9.678 1.00 1.07 H new ATOM 0 HB2 PHE B 21 -3.700 -9.393 8.271 1.00 1.15 H new ATOM 0 HB3 PHE B 21 -3.549 -11.078 7.815 1.00 1.15 H new ATOM 0 HD1 PHE B 21 -3.697 -9.042 10.997 1.00 2.61 H new ATOM 0 HD2 PHE B 21 -4.930 -12.597 8.898 1.00 1.89 H new ATOM 0 HE1 PHE B 21 -5.257 -9.599 12.850 1.00 2.83 H new ATOM 0 HE2 PHE B 21 -6.458 -13.169 10.770 1.00 2.24 H new ATOM 0 HZ PHE B 21 -6.644 -11.657 12.733 1.00 2.01 H new ATOM 1966 N THR B 22 -1.245 -12.643 8.540 1.00 1.15 N ATOM 1967 CA THR B 22 -0.704 -13.944 8.895 1.00 1.27 C ATOM 1968 C THR B 22 0.715 -13.784 9.440 1.00 1.27 C ATOM 1969 O THR B 22 0.958 -14.161 10.583 1.00 1.54 O ATOM 1970 CB THR B 22 -0.789 -14.933 7.724 1.00 1.40 C ATOM 1971 OG1 THR B 22 -0.219 -14.393 6.554 1.00 2.19 O ATOM 1972 CG2 THR B 22 -2.241 -15.333 7.439 1.00 1.68 C ATOM 0 H THR B 22 -1.559 -12.572 7.572 1.00 1.15 H new ATOM 0 HA THR B 22 -1.314 -14.377 9.688 1.00 1.27 H new ATOM 0 HB THR B 22 -0.226 -15.819 8.017 1.00 1.40 H new ATOM 0 HG1 THR B 22 -0.824 -13.722 6.175 1.00 2.19 H new ATOM 0 HG21 THR B 22 -2.268 -16.034 6.605 1.00 1.68 H new ATOM 0 HG22 THR B 22 -2.669 -15.805 8.324 1.00 1.68 H new ATOM 0 HG23 THR B 22 -2.820 -14.445 7.186 1.00 1.68 H new ATOM 1980 N PHE B 23 1.638 -13.178 8.684 1.00 1.12 N ATOM 1981 CA PHE B 23 2.980 -12.925 9.209 1.00 1.15 C ATOM 1982 C PHE B 23 2.924 -12.187 10.547 1.00 1.11 C ATOM 1983 O PHE B 23 3.572 -12.577 11.508 1.00 1.17 O ATOM 1984 CB PHE B 23 3.837 -12.141 8.207 1.00 1.22 C ATOM 1985 CG PHE B 23 4.566 -13.011 7.204 1.00 1.15 C ATOM 1986 CD1 PHE B 23 5.594 -13.869 7.644 1.00 2.45 C ATOM 1987 CD2 PHE B 23 4.259 -12.937 5.833 1.00 1.96 C ATOM 1988 CE1 PHE B 23 6.301 -14.652 6.717 1.00 2.83 C ATOM 1989 CE2 PHE B 23 4.993 -13.692 4.903 1.00 2.43 C ATOM 1990 CZ PHE B 23 6.024 -14.535 5.345 1.00 2.33 C ATOM 0 H PHE B 23 1.484 -12.860 7.727 1.00 1.12 H new ATOM 0 HA PHE B 23 3.448 -13.896 9.371 1.00 1.15 H new ATOM 0 HB2 PHE B 23 3.198 -11.441 7.668 1.00 1.22 H new ATOM 0 HB3 PHE B 23 4.568 -11.548 8.756 1.00 1.22 H new ATOM 0 HD1 PHE B 23 5.838 -13.924 8.695 1.00 2.45 H new ATOM 0 HD2 PHE B 23 3.457 -12.298 5.495 1.00 1.96 H new ATOM 0 HE1 PHE B 23 7.057 -15.343 7.059 1.00 2.83 H new ATOM 0 HE2 PHE B 23 4.764 -13.624 3.850 1.00 2.43 H new ATOM 0 HZ PHE B 23 6.606 -15.095 4.628 1.00 2.33 H new ATOM 2000 N ALA B 24 2.122 -11.130 10.632 1.00 1.05 N ATOM 2001 CA ALA B 24 2.006 -10.256 11.781 1.00 1.07 C ATOM 2002 C ALA B 24 1.665 -11.053 13.028 1.00 1.14 C ATOM 2003 O ALA B 24 2.053 -10.627 14.117 1.00 1.20 O ATOM 2004 CB ALA B 24 0.965 -9.157 11.542 1.00 1.08 C ATOM 0 H ALA B 24 1.510 -10.852 9.864 1.00 1.05 H new ATOM 0 HA ALA B 24 2.972 -9.774 11.931 1.00 1.07 H new ATOM 0 HB1 ALA B 24 0.902 -8.518 12.423 1.00 1.08 H new ATOM 0 HB2 ALA B 24 1.259 -8.559 10.680 1.00 1.08 H new ATOM 0 HB3 ALA B 24 -0.007 -9.612 11.353 1.00 1.08 H new ATOM 2010 N ARG B 25 0.955 -12.180 12.899 1.00 1.18 N ATOM 2011 CA ARG B 25 0.642 -13.017 14.048 1.00 1.34 C ATOM 2012 C ARG B 25 1.874 -13.523 14.775 1.00 1.40 C ATOM 2013 O ARG B 25 1.715 -13.991 15.903 1.00 1.49 O ATOM 2014 CB ARG B 25 -0.327 -14.165 13.705 1.00 1.38 C ATOM 2015 CG ARG B 25 0.320 -15.424 13.095 1.00 1.67 C ATOM 2016 CD ARG B 25 0.297 -16.675 13.992 1.00 2.03 C ATOM 2017 NE ARG B 25 1.193 -16.571 15.160 1.00 3.27 N ATOM 2018 CZ ARG B 25 1.807 -17.596 15.774 1.00 4.21 C ATOM 2019 NH1 ARG B 25 1.485 -18.855 15.455 1.00 4.28 N ATOM 2020 NH2 ARG B 25 2.729 -17.368 16.714 1.00 5.52 N ATOM 0 H ARG B 25 0.591 -12.527 12.012 1.00 1.18 H new ATOM 0 HA ARG B 25 0.122 -12.359 14.744 1.00 1.34 H new ATOM 0 HB2 ARG B 25 -0.855 -14.454 14.614 1.00 1.38 H new ATOM 0 HB3 ARG B 25 -1.075 -13.789 13.007 1.00 1.38 H new ATOM 0 HG2 ARG B 25 -0.190 -15.658 12.160 1.00 1.67 H new ATOM 0 HG3 ARG B 25 1.356 -15.195 12.845 1.00 1.67 H new ATOM 0 HD2 ARG B 25 -0.722 -16.847 14.338 1.00 2.03 H new ATOM 0 HD3 ARG B 25 0.583 -17.544 13.399 1.00 2.03 H new ATOM 0 HE ARG B 25 1.361 -15.637 15.535 1.00 3.27 H new ATOM 0 HH11 ARG B 25 0.774 -19.036 14.746 1.00 4.28 H new ATOM 0 HH12 ARG B 25 1.951 -19.634 15.921 1.00 4.28 H new ATOM 0 HH21 ARG B 25 2.971 -16.411 16.970 1.00 5.52 H new ATOM 0 HH22 ARG B 25 3.191 -18.151 17.176 1.00 5.52 H new ATOM 2034 N GLN B 26 3.051 -13.563 14.139 1.00 1.36 N ATOM 2035 CA GLN B 26 4.057 -14.482 14.623 1.00 1.41 C ATOM 2036 C GLN B 26 4.458 -14.274 16.087 1.00 1.61 C ATOM 2037 O GLN B 26 4.253 -15.186 16.889 1.00 1.75 O ATOM 2038 CB GLN B 26 5.287 -14.384 13.723 1.00 1.26 C ATOM 2039 CG GLN B 26 5.993 -15.708 13.554 1.00 1.37 C ATOM 2040 CD GLN B 26 5.239 -16.659 12.629 1.00 1.52 C ATOM 2041 OE1 GLN B 26 4.348 -17.385 13.068 1.00 2.03 O ATOM 2042 NE2 GLN B 26 5.572 -16.658 11.343 1.00 1.77 N ATOM 0 H GLN B 26 3.312 -12.997 13.331 1.00 1.36 H new ATOM 0 HA GLN B 26 3.615 -15.477 14.585 1.00 1.41 H new ATOM 0 HB2 GLN B 26 4.987 -14.009 12.744 1.00 1.26 H new ATOM 0 HB3 GLN B 26 5.982 -13.657 14.143 1.00 1.26 H new ATOM 0 HG2 GLN B 26 6.992 -15.535 13.155 1.00 1.37 H new ATOM 0 HG3 GLN B 26 6.116 -16.177 14.530 1.00 1.37 H new ATOM 0 HE21 GLN B 26 6.315 -16.044 11.009 1.00 1.77 H new ATOM 0 HE22 GLN B 26 5.084 -17.271 10.689 1.00 1.77 H new ATOM 2051 N GLU B 27 5.069 -13.134 16.423 1.00 1.64 N ATOM 2052 CA GLU B 27 5.790 -13.058 17.685 1.00 1.78 C ATOM 2053 C GLU B 27 4.896 -12.623 18.855 1.00 1.85 C ATOM 2054 O GLU B 27 4.345 -13.460 19.566 1.00 1.64 O ATOM 2055 CB GLU B 27 6.900 -12.017 17.466 1.00 1.94 C ATOM 2056 CG GLU B 27 8.030 -12.417 16.518 1.00 2.12 C ATOM 2057 CD GLU B 27 8.821 -11.159 16.174 1.00 2.64 C ATOM 2058 OE1 GLU B 27 9.771 -10.847 16.919 1.00 3.35 O ATOM 2059 OE2 GLU B 27 8.419 -10.463 15.212 1.00 3.48 O ATOM 0 H GLU B 27 5.078 -12.284 15.859 1.00 1.64 H new ATOM 0 HA GLU B 27 6.175 -14.042 17.953 1.00 1.78 H new ATOM 0 HB2 GLU B 27 6.442 -11.104 17.085 1.00 1.94 H new ATOM 0 HB3 GLU B 27 7.337 -11.774 18.435 1.00 1.94 H new ATOM 0 HG2 GLU B 27 8.677 -13.158 16.987 1.00 2.12 H new ATOM 0 HG3 GLU B 27 7.626 -12.873 15.614 1.00 2.12 H new ATOM 2066 N GLY B 28 4.640 -11.314 18.983 1.00 2.25 N ATOM 2067 CA GLY B 28 3.457 -10.669 19.509 1.00 2.29 C ATOM 2068 C GLY B 28 2.491 -10.316 18.390 1.00 1.84 C ATOM 2069 O GLY B 28 2.907 -10.173 17.233 1.00 1.81 O ATOM 0 H GLY B 28 5.331 -10.624 18.688 1.00 2.25 H new ATOM 0 HA2 GLY B 28 2.966 -11.328 20.225 1.00 2.29 H new ATOM 0 HA3 GLY B 28 3.740 -9.766 20.050 1.00 2.29 H new ATOM 2073 N ARG B 29 1.280 -9.906 18.776 1.00 1.90 N ATOM 2074 CA ARG B 29 0.564 -8.827 18.103 1.00 1.92 C ATOM 2075 C ARG B 29 0.276 -9.148 16.643 1.00 1.54 C ATOM 2076 O ARG B 29 1.062 -8.771 15.760 1.00 1.38 O ATOM 2077 CB ARG B 29 1.359 -7.513 18.226 1.00 2.20 C ATOM 2078 CG ARG B 29 1.481 -7.062 19.685 1.00 2.79 C ATOM 2079 CD ARG B 29 0.218 -6.312 20.105 1.00 2.02 C ATOM 2080 NE ARG B 29 0.217 -4.972 19.511 1.00 3.25 N ATOM 2081 CZ ARG B 29 -0.841 -4.161 19.466 1.00 3.62 C ATOM 2082 NH1 ARG B 29 -2.068 -4.659 19.282 1.00 3.60 N ATOM 2083 NH2 ARG B 29 -0.633 -2.854 19.651 1.00 4.93 N ATOM 0 H ARG B 29 0.772 -10.313 19.561 1.00 1.90 H new ATOM 0 HA ARG B 29 -0.401 -8.712 18.597 1.00 1.92 H new ATOM 0 HB2 ARG B 29 2.354 -7.648 17.802 1.00 2.20 H new ATOM 0 HB3 ARG B 29 0.867 -6.734 17.644 1.00 2.20 H new ATOM 0 HG2 ARG B 29 1.632 -7.927 20.331 1.00 2.79 H new ATOM 0 HG3 ARG B 29 2.353 -6.419 19.804 1.00 2.79 H new ATOM 0 HD2 ARG B 29 -0.667 -6.863 19.785 1.00 2.02 H new ATOM 0 HD3 ARG B 29 0.172 -6.238 21.192 1.00 2.02 H new ATOM 0 HE ARG B 29 1.089 -4.635 19.102 1.00 3.25 H new ATOM 0 HH11 ARG B 29 -2.199 -5.665 19.175 1.00 3.60 H new ATOM 0 HH12 ARG B 29 -2.873 -4.033 19.249 1.00 3.60 H new ATOM 0 HH21 ARG B 29 0.311 -2.507 19.820 1.00 4.93 H new ATOM 0 HH22 ARG B 29 -1.418 -2.204 19.623 1.00 4.93 H new ATOM 2097 N LYS B 30 -0.859 -9.814 16.406 1.00 1.51 N ATOM 2098 CA LYS B 30 -1.393 -10.139 15.091 1.00 1.28 C ATOM 2099 C LYS B 30 -1.997 -8.899 14.427 1.00 1.14 C ATOM 2100 O LYS B 30 -3.147 -8.889 13.994 1.00 1.58 O ATOM 2101 CB LYS B 30 -2.378 -11.322 15.209 1.00 1.54 C ATOM 2102 CG LYS B 30 -3.642 -11.056 16.046 1.00 1.86 C ATOM 2103 CD LYS B 30 -4.365 -12.381 16.329 1.00 2.27 C ATOM 2104 CE LYS B 30 -5.658 -12.138 17.124 1.00 2.87 C ATOM 2105 NZ LYS B 30 -6.331 -13.402 17.494 1.00 3.52 N ATOM 0 H LYS B 30 -1.452 -10.154 17.163 1.00 1.51 H new ATOM 0 HA LYS B 30 -0.588 -10.462 14.431 1.00 1.28 H new ATOM 0 HB2 LYS B 30 -2.684 -11.617 14.206 1.00 1.54 H new ATOM 0 HB3 LYS B 30 -1.849 -12.170 15.643 1.00 1.54 H new ATOM 0 HG2 LYS B 30 -3.373 -10.570 16.984 1.00 1.86 H new ATOM 0 HG3 LYS B 30 -4.306 -10.375 15.513 1.00 1.86 H new ATOM 0 HD2 LYS B 30 -4.599 -12.881 15.389 1.00 2.27 H new ATOM 0 HD3 LYS B 30 -3.708 -13.047 16.889 1.00 2.27 H new ATOM 0 HE2 LYS B 30 -5.427 -11.573 18.027 1.00 2.87 H new ATOM 0 HE3 LYS B 30 -6.338 -11.526 16.531 1.00 2.87 H new ATOM 0 HZ1 LYS B 30 -7.198 -13.190 18.028 1.00 3.52 H new ATOM 0 HZ2 LYS B 30 -6.576 -13.930 16.632 1.00 3.52 H new ATOM 0 HZ3 LYS B 30 -5.693 -13.976 18.082 1.00 3.52 H new ATOM 2119 N ASP B 31 -1.203 -7.834 14.366 1.00 1.30 N ATOM 2120 CA ASP B 31 -1.633 -6.522 13.932 1.00 1.25 C ATOM 2121 C ASP B 31 -0.386 -5.716 13.572 1.00 1.22 C ATOM 2122 O ASP B 31 -0.235 -5.299 12.428 1.00 1.36 O ATOM 2123 CB ASP B 31 -2.544 -5.870 14.994 1.00 1.40 C ATOM 2124 CG ASP B 31 -1.898 -5.669 16.361 1.00 2.64 C ATOM 2125 OD1 ASP B 31 -1.095 -4.722 16.475 1.00 3.92 O ATOM 2126 OD2 ASP B 31 -2.197 -6.435 17.305 1.00 3.49 O ATOM 0 H ASP B 31 -0.217 -7.868 14.626 1.00 1.30 H new ATOM 0 HA ASP B 31 -2.255 -6.574 13.038 1.00 1.25 H new ATOM 0 HB2 ASP B 31 -2.877 -4.902 14.620 1.00 1.40 H new ATOM 0 HB3 ASP B 31 -3.434 -6.488 15.116 1.00 1.40 H new ATOM 2131 N SER B 32 0.524 -5.540 14.528 1.00 1.29 N ATOM 2132 CA SER B 32 1.769 -4.818 14.344 1.00 1.38 C ATOM 2133 C SER B 32 2.915 -5.792 14.044 1.00 1.34 C ATOM 2134 O SER B 32 2.984 -6.912 14.584 1.00 1.44 O ATOM 2135 CB SER B 32 2.036 -3.943 15.571 1.00 1.83 C ATOM 2136 OG SER B 32 0.902 -3.132 15.840 1.00 3.55 O ATOM 0 H SER B 32 0.408 -5.907 15.473 1.00 1.29 H new ATOM 0 HA SER B 32 1.694 -4.157 13.481 1.00 1.38 H new ATOM 0 HB2 SER B 32 2.259 -4.570 16.434 1.00 1.83 H new ATOM 0 HB3 SER B 32 2.910 -3.316 15.398 1.00 1.83 H new ATOM 0 HG SER B 32 0.269 -3.630 16.399 1.00 3.55 H new ATOM 2142 N LEU B 33 3.807 -5.364 13.152 1.00 1.33 N ATOM 2143 CA LEU B 33 4.957 -6.131 12.713 1.00 1.29 C ATOM 2144 C LEU B 33 6.087 -5.954 13.720 1.00 1.12 C ATOM 2145 O LEU B 33 6.392 -4.834 14.135 1.00 1.34 O ATOM 2146 CB LEU B 33 5.386 -5.723 11.294 1.00 1.45 C ATOM 2147 CG LEU B 33 4.775 -6.579 10.177 1.00 1.55 C ATOM 2148 CD1 LEU B 33 5.290 -8.015 10.186 1.00 2.11 C ATOM 2149 CD2 LEU B 33 3.251 -6.548 10.228 1.00 1.81 C ATOM 0 H LEU B 33 3.742 -4.449 12.707 1.00 1.33 H new ATOM 0 HA LEU B 33 4.693 -7.187 12.666 1.00 1.29 H new ATOM 0 HB2 LEU B 33 5.110 -4.681 11.129 1.00 1.45 H new ATOM 0 HB3 LEU B 33 6.472 -5.779 11.226 1.00 1.45 H new ATOM 0 HG LEU B 33 5.098 -6.134 9.236 1.00 1.55 H new ATOM 0 HD11 LEU B 33 4.824 -8.574 9.375 1.00 2.11 H new ATOM 0 HD12 LEU B 33 6.372 -8.014 10.052 1.00 2.11 H new ATOM 0 HD13 LEU B 33 5.043 -8.484 11.138 1.00 2.11 H new ATOM 0 HD21 LEU B 33 2.847 -7.164 9.424 1.00 1.81 H new ATOM 0 HD22 LEU B 33 2.911 -6.936 11.188 1.00 1.81 H new ATOM 0 HD23 LEU B 33 2.904 -5.522 10.108 1.00 1.81 H new ATOM 2161 N SER B 34 6.685 -7.072 14.118 1.00 1.05 N ATOM 2162 CA SER B 34 7.884 -7.126 14.938 1.00 0.97 C ATOM 2163 C SER B 34 9.024 -7.745 14.107 1.00 0.87 C ATOM 2164 O SER B 34 8.831 -8.109 12.941 1.00 1.12 O ATOM 2165 CB SER B 34 7.541 -7.841 16.255 1.00 1.28 C ATOM 2166 OG SER B 34 6.541 -8.827 16.048 1.00 2.53 O ATOM 0 H SER B 34 6.334 -7.996 13.868 1.00 1.05 H new ATOM 0 HA SER B 34 8.249 -6.142 15.231 1.00 0.97 H new ATOM 0 HB2 SER B 34 8.437 -8.306 16.666 1.00 1.28 H new ATOM 0 HB3 SER B 34 7.194 -7.114 16.989 1.00 1.28 H new ATOM 0 HG SER B 34 6.948 -9.628 15.657 1.00 2.53 H new ATOM 2172 N VAL B 35 10.246 -7.777 14.651 1.00 0.83 N ATOM 2173 CA VAL B 35 11.425 -8.146 13.875 1.00 0.85 C ATOM 2174 C VAL B 35 11.818 -9.599 14.128 1.00 1.03 C ATOM 2175 O VAL B 35 12.995 -9.945 14.188 1.00 2.17 O ATOM 2176 CB VAL B 35 12.546 -7.131 14.168 1.00 1.33 C ATOM 2177 CG1 VAL B 35 13.131 -7.209 15.585 1.00 1.41 C ATOM 2178 CG2 VAL B 35 13.663 -7.138 13.114 1.00 2.55 C ATOM 0 H VAL B 35 10.439 -7.551 15.627 1.00 0.83 H new ATOM 0 HA VAL B 35 11.212 -8.098 12.807 1.00 0.85 H new ATOM 0 HB VAL B 35 12.034 -6.171 14.105 1.00 1.33 H new ATOM 0 HG11 VAL B 35 13.912 -6.458 15.698 1.00 1.41 H new ATOM 0 HG12 VAL B 35 12.343 -7.025 16.315 1.00 1.41 H new ATOM 0 HG13 VAL B 35 13.554 -8.200 15.750 1.00 1.41 H new ATOM 0 HG21 VAL B 35 14.420 -6.400 13.381 1.00 2.55 H new ATOM 0 HG22 VAL B 35 14.119 -8.127 13.073 1.00 2.55 H new ATOM 0 HG23 VAL B 35 13.244 -6.891 12.138 1.00 2.55 H new ATOM 2188 N ASN B 36 10.828 -10.474 13.989 1.00 0.89 N ATOM 2189 CA ASN B 36 10.982 -11.817 13.472 1.00 0.88 C ATOM 2190 C ASN B 36 9.613 -12.197 12.916 1.00 0.90 C ATOM 2191 O ASN B 36 9.053 -13.249 13.205 1.00 1.30 O ATOM 2192 CB ASN B 36 11.466 -12.737 14.593 1.00 1.27 C ATOM 2193 CG ASN B 36 12.097 -14.013 14.045 1.00 1.45 C ATOM 2194 OD1 ASN B 36 13.284 -14.252 14.248 1.00 2.03 O ATOM 2195 ND2 ASN B 36 11.345 -14.848 13.336 1.00 1.63 N ATOM 0 H ASN B 36 9.865 -10.254 14.244 1.00 0.89 H new ATOM 0 HA ASN B 36 11.729 -11.901 12.683 1.00 0.88 H new ATOM 0 HB2 ASN B 36 12.193 -12.208 15.209 1.00 1.27 H new ATOM 0 HB3 ASN B 36 10.627 -12.995 15.239 1.00 1.27 H new ATOM 0 HD21 ASN B 36 11.753 -15.701 12.952 1.00 1.63 H new ATOM 0 HD22 ASN B 36 10.360 -14.636 13.175 1.00 1.63 H new ATOM 2202 N GLU B 37 9.160 -11.297 12.043 1.00 0.89 N ATOM 2203 CA GLU B 37 7.984 -11.313 11.191 1.00 1.02 C ATOM 2204 C GLU B 37 8.388 -10.510 9.970 1.00 1.02 C ATOM 2205 O GLU B 37 8.308 -10.981 8.837 1.00 1.14 O ATOM 2206 CB GLU B 37 6.812 -10.568 11.838 1.00 1.24 C ATOM 2207 CG GLU B 37 6.204 -11.338 12.990 1.00 0.98 C ATOM 2208 CD GLU B 37 5.313 -10.487 13.871 1.00 1.20 C ATOM 2209 OE1 GLU B 37 5.047 -9.295 13.598 1.00 2.01 O ATOM 2210 OE2 GLU B 37 4.755 -10.966 14.878 1.00 1.42 O ATOM 0 H GLU B 37 9.681 -10.431 11.904 1.00 0.89 H new ATOM 0 HA GLU B 37 7.673 -12.338 10.988 1.00 1.02 H new ATOM 0 HB2 GLU B 37 7.155 -9.597 12.195 1.00 1.24 H new ATOM 0 HB3 GLU B 37 6.046 -10.379 11.086 1.00 1.24 H new ATOM 0 HG2 GLU B 37 5.624 -12.172 12.595 1.00 0.98 H new ATOM 0 HG3 GLU B 37 7.003 -11.764 13.596 1.00 0.98 H new ATOM 2217 N PHE B 38 8.854 -9.276 10.226 1.00 0.94 N ATOM 2218 CA PHE B 38 9.294 -8.413 9.150 1.00 0.96 C ATOM 2219 C PHE B 38 10.330 -9.153 8.304 1.00 0.90 C ATOM 2220 O PHE B 38 10.151 -9.314 7.098 1.00 0.92 O ATOM 2221 CB PHE B 38 9.826 -7.081 9.699 1.00 1.00 C ATOM 2222 CG PHE B 38 9.517 -5.919 8.779 1.00 0.92 C ATOM 2223 CD1 PHE B 38 9.928 -5.958 7.434 1.00 2.28 C ATOM 2224 CD2 PHE B 38 8.620 -4.925 9.205 1.00 1.88 C ATOM 2225 CE1 PHE B 38 9.386 -5.055 6.507 1.00 2.27 C ATOM 2226 CE2 PHE B 38 8.087 -4.013 8.281 1.00 2.08 C ATOM 2227 CZ PHE B 38 8.431 -4.112 6.923 1.00 1.28 C ATOM 0 H PHE B 38 8.930 -8.871 11.159 1.00 0.94 H new ATOM 0 HA PHE B 38 8.449 -8.163 8.508 1.00 0.96 H new ATOM 0 HB2 PHE B 38 9.387 -6.893 10.679 1.00 1.00 H new ATOM 0 HB3 PHE B 38 10.904 -7.153 9.841 1.00 1.00 H new ATOM 0 HD1 PHE B 38 10.661 -6.684 7.115 1.00 2.28 H new ATOM 0 HD2 PHE B 38 8.340 -4.863 10.246 1.00 1.88 H new ATOM 0 HE1 PHE B 38 9.702 -5.085 5.475 1.00 2.27 H new ATOM 0 HE2 PHE B 38 7.414 -3.237 8.614 1.00 2.08 H new ATOM 0 HZ PHE B 38 7.961 -3.463 6.198 1.00 1.28 H new ATOM 2237 N LYS B 39 11.397 -9.644 8.948 1.00 0.85 N ATOM 2238 CA LYS B 39 12.427 -10.362 8.218 1.00 0.81 C ATOM 2239 C LYS B 39 11.858 -11.614 7.551 1.00 0.70 C ATOM 2240 O LYS B 39 12.170 -11.875 6.392 1.00 0.70 O ATOM 2241 CB LYS B 39 13.684 -10.628 9.056 1.00 0.88 C ATOM 2242 CG LYS B 39 14.844 -11.007 8.116 1.00 0.93 C ATOM 2243 CD LYS B 39 16.218 -10.684 8.723 1.00 1.22 C ATOM 2244 CE LYS B 39 17.326 -11.017 7.708 1.00 2.20 C ATOM 2245 NZ LYS B 39 18.597 -10.301 7.963 1.00 2.98 N ATOM 0 H LYS B 39 11.560 -9.556 9.951 1.00 0.85 H new ATOM 0 HA LYS B 39 12.770 -9.709 7.415 1.00 0.81 H new ATOM 0 HB2 LYS B 39 13.944 -9.743 9.636 1.00 0.88 H new ATOM 0 HB3 LYS B 39 13.498 -11.432 9.768 1.00 0.88 H new ATOM 0 HG2 LYS B 39 14.791 -12.072 7.889 1.00 0.93 H new ATOM 0 HG3 LYS B 39 14.732 -10.474 7.172 1.00 0.93 H new ATOM 0 HD2 LYS B 39 16.267 -9.630 8.996 1.00 1.22 H new ATOM 0 HD3 LYS B 39 16.366 -11.257 9.638 1.00 1.22 H new ATOM 0 HE2 LYS B 39 17.513 -12.091 7.726 1.00 2.20 H new ATOM 0 HE3 LYS B 39 16.975 -10.772 6.706 1.00 2.20 H new ATOM 0 HZ1 LYS B 39 19.398 -10.938 7.777 1.00 2.98 H new ATOM 0 HZ2 LYS B 39 18.661 -9.473 7.337 1.00 2.98 H new ATOM 0 HZ3 LYS B 39 18.627 -9.989 8.955 1.00 2.98 H new ATOM 2259 N GLU B 40 10.993 -12.360 8.245 1.00 0.66 N ATOM 2260 CA GLU B 40 10.367 -13.543 7.676 1.00 0.61 C ATOM 2261 C GLU B 40 9.722 -13.242 6.318 1.00 0.61 C ATOM 2262 O GLU B 40 9.842 -14.045 5.396 1.00 0.62 O ATOM 2263 CB GLU B 40 9.336 -14.150 8.635 1.00 0.69 C ATOM 2264 CG GLU B 40 9.904 -14.511 10.012 1.00 0.88 C ATOM 2265 CD GLU B 40 8.868 -15.248 10.858 1.00 1.87 C ATOM 2266 OE1 GLU B 40 7.671 -15.196 10.493 1.00 3.11 O ATOM 2267 OE2 GLU B 40 9.294 -15.868 11.855 1.00 2.64 O ATOM 0 H GLU B 40 10.714 -12.159 9.205 1.00 0.66 H new ATOM 0 HA GLU B 40 11.158 -14.276 7.520 1.00 0.61 H new ATOM 0 HB2 GLU B 40 8.516 -13.444 8.765 1.00 0.69 H new ATOM 0 HB3 GLU B 40 8.915 -15.047 8.180 1.00 0.69 H new ATOM 0 HG2 GLU B 40 10.790 -15.135 9.891 1.00 0.88 H new ATOM 0 HG3 GLU B 40 10.220 -13.604 10.527 1.00 0.88 H new ATOM 2274 N LEU B 41 9.068 -12.088 6.169 1.00 0.64 N ATOM 2275 CA LEU B 41 8.342 -11.767 4.948 1.00 0.65 C ATOM 2276 C LEU B 41 9.338 -11.574 3.810 1.00 0.63 C ATOM 2277 O LEU B 41 9.174 -12.131 2.721 1.00 0.64 O ATOM 2278 CB LEU B 41 7.439 -10.548 5.199 1.00 0.71 C ATOM 2279 CG LEU B 41 6.491 -10.189 4.035 1.00 0.73 C ATOM 2280 CD1 LEU B 41 5.263 -9.460 4.596 1.00 1.69 C ATOM 2281 CD2 LEU B 41 7.158 -9.266 3.007 1.00 1.89 C ATOM 0 H LEU B 41 9.029 -11.361 6.884 1.00 0.64 H new ATOM 0 HA LEU B 41 7.683 -12.583 4.650 1.00 0.65 H new ATOM 0 HB2 LEU B 41 6.841 -10.735 6.091 1.00 0.71 H new ATOM 0 HB3 LEU B 41 8.070 -9.685 5.414 1.00 0.71 H new ATOM 0 HG LEU B 41 6.217 -11.120 3.539 1.00 0.73 H new ATOM 0 HD11 LEU B 41 4.588 -9.203 3.780 1.00 1.69 H new ATOM 0 HD12 LEU B 41 4.746 -10.109 5.303 1.00 1.69 H new ATOM 0 HD13 LEU B 41 5.581 -8.550 5.104 1.00 1.69 H new ATOM 0 HD21 LEU B 41 6.452 -9.042 2.207 1.00 1.89 H new ATOM 0 HD22 LEU B 41 7.462 -8.339 3.493 1.00 1.89 H new ATOM 0 HD23 LEU B 41 8.035 -9.761 2.589 1.00 1.89 H new ATOM 2293 N VAL B 42 10.392 -10.796 4.071 1.00 0.64 N ATOM 2294 CA VAL B 42 11.360 -10.474 3.040 1.00 0.68 C ATOM 2295 C VAL B 42 12.147 -11.724 2.659 1.00 0.68 C ATOM 2296 O VAL B 42 12.285 -12.042 1.482 1.00 0.75 O ATOM 2297 CB VAL B 42 12.246 -9.273 3.412 1.00 0.74 C ATOM 2298 CG1 VAL B 42 11.478 -7.958 3.218 1.00 0.84 C ATOM 2299 CG2 VAL B 42 12.839 -9.294 4.813 1.00 0.70 C ATOM 0 H VAL B 42 10.589 -10.384 4.983 1.00 0.64 H new ATOM 0 HA VAL B 42 10.823 -10.144 2.151 1.00 0.68 H new ATOM 0 HB VAL B 42 13.093 -9.349 2.730 1.00 0.74 H new ATOM 0 HG11 VAL B 42 12.120 -7.119 3.486 1.00 0.84 H new ATOM 0 HG12 VAL B 42 11.174 -7.864 2.175 1.00 0.84 H new ATOM 0 HG13 VAL B 42 10.593 -7.956 3.855 1.00 0.84 H new ATOM 0 HG21 VAL B 42 13.444 -8.400 4.965 1.00 0.70 H new ATOM 0 HG22 VAL B 42 12.035 -9.317 5.548 1.00 0.70 H new ATOM 0 HG23 VAL B 42 13.463 -10.180 4.931 1.00 0.70 H new ATOM 2309 N THR B 43 12.632 -12.446 3.665 1.00 0.67 N ATOM 2310 CA THR B 43 13.383 -13.673 3.503 1.00 0.70 C ATOM 2311 C THR B 43 12.559 -14.745 2.779 1.00 0.72 C ATOM 2312 O THR B 43 13.022 -15.297 1.783 1.00 0.78 O ATOM 2313 CB THR B 43 13.845 -14.110 4.898 1.00 0.77 C ATOM 2314 OG1 THR B 43 14.735 -13.132 5.406 1.00 0.92 O ATOM 2315 CG2 THR B 43 14.563 -15.463 4.894 1.00 0.84 C ATOM 0 H THR B 43 12.506 -12.180 4.642 1.00 0.67 H new ATOM 0 HA THR B 43 14.255 -13.515 2.868 1.00 0.70 H new ATOM 0 HB THR B 43 12.954 -14.213 5.518 1.00 0.77 H new ATOM 0 HG1 THR B 43 14.223 -12.418 5.841 1.00 0.92 H new ATOM 0 HG21 THR B 43 14.866 -15.717 5.910 1.00 0.84 H new ATOM 0 HG22 THR B 43 13.890 -16.231 4.513 1.00 0.84 H new ATOM 0 HG23 THR B 43 15.445 -15.405 4.257 1.00 0.84 H new ATOM 2323 N GLN B 44 11.368 -15.078 3.287 1.00 0.74 N ATOM 2324 CA GLN B 44 10.595 -16.197 2.777 1.00 0.82 C ATOM 2325 C GLN B 44 9.875 -15.807 1.488 1.00 0.87 C ATOM 2326 O GLN B 44 10.032 -16.462 0.461 1.00 0.91 O ATOM 2327 CB GLN B 44 9.595 -16.640 3.855 1.00 0.87 C ATOM 2328 CG GLN B 44 8.871 -17.940 3.495 1.00 0.99 C ATOM 2329 CD GLN B 44 7.809 -18.221 4.548 1.00 1.15 C ATOM 2330 OE1 GLN B 44 8.046 -18.956 5.500 1.00 2.46 O ATOM 2331 NE2 GLN B 44 6.647 -17.596 4.412 1.00 1.49 N ATOM 0 H GLN B 44 10.922 -14.579 4.057 1.00 0.74 H new ATOM 0 HA GLN B 44 11.260 -17.028 2.542 1.00 0.82 H new ATOM 0 HB2 GLN B 44 10.122 -16.773 4.800 1.00 0.87 H new ATOM 0 HB3 GLN B 44 8.859 -15.850 4.008 1.00 0.87 H new ATOM 0 HG2 GLN B 44 8.412 -17.855 2.510 1.00 0.99 H new ATOM 0 HG3 GLN B 44 9.581 -18.766 3.446 1.00 0.99 H new ATOM 0 HE21 GLN B 44 6.484 -16.992 3.607 1.00 1.49 H new ATOM 0 HE22 GLN B 44 5.916 -17.720 5.113 1.00 1.49 H new ATOM 2340 N GLN B 45 9.029 -14.778 1.564 1.00 0.91 N ATOM 2341 CA GLN B 45 8.072 -14.473 0.514 1.00 0.99 C ATOM 2342 C GLN B 45 8.751 -13.705 -0.618 1.00 0.99 C ATOM 2343 O GLN B 45 8.564 -14.007 -1.793 1.00 1.13 O ATOM 2344 CB GLN B 45 6.895 -13.676 1.110 1.00 1.11 C ATOM 2345 CG GLN B 45 5.537 -14.211 0.634 1.00 1.44 C ATOM 2346 CD GLN B 45 5.174 -15.558 1.259 1.00 1.84 C ATOM 2347 OE1 GLN B 45 5.864 -16.061 2.145 1.00 2.94 O ATOM 2348 NE2 GLN B 45 4.076 -16.151 0.808 1.00 2.19 N ATOM 0 H GLN B 45 8.993 -14.137 2.357 1.00 0.91 H new ATOM 0 HA GLN B 45 7.683 -15.400 0.093 1.00 0.99 H new ATOM 0 HB2 GLN B 45 6.941 -13.721 2.198 1.00 1.11 H new ATOM 0 HB3 GLN B 45 6.989 -12.627 0.830 1.00 1.11 H new ATOM 0 HG2 GLN B 45 4.761 -13.484 0.875 1.00 1.44 H new ATOM 0 HG3 GLN B 45 5.553 -14.312 -0.451 1.00 1.44 H new ATOM 0 HE21 GLN B 45 3.524 -15.710 0.072 1.00 2.19 H new ATOM 0 HE22 GLN B 45 3.784 -17.048 1.197 1.00 2.19 H new ATOM 2357 N LEU B 46 9.461 -12.641 -0.240 1.00 0.89 N ATOM 2358 CA LEU B 46 9.905 -11.575 -1.131 1.00 0.88 C ATOM 2359 C LEU B 46 11.213 -11.731 -1.935 1.00 1.29 C ATOM 2360 O LEU B 46 11.470 -10.866 -2.776 1.00 1.70 O ATOM 2361 CB LEU B 46 9.910 -10.263 -0.343 1.00 1.05 C ATOM 2362 CG LEU B 46 9.319 -9.121 -1.168 1.00 1.17 C ATOM 2363 CD1 LEU B 46 7.791 -9.146 -1.102 1.00 1.86 C ATOM 2364 CD2 LEU B 46 9.850 -7.795 -0.635 1.00 1.75 C ATOM 0 H LEU B 46 9.751 -12.495 0.727 1.00 0.89 H new ATOM 0 HA LEU B 46 9.175 -11.609 -1.939 1.00 0.88 H new ATOM 0 HB2 LEU B 46 9.337 -10.386 0.576 1.00 1.05 H new ATOM 0 HB3 LEU B 46 10.931 -10.015 -0.052 1.00 1.05 H new ATOM 0 HG LEU B 46 9.614 -9.239 -2.211 1.00 1.17 H new ATOM 0 HD11 LEU B 46 7.388 -8.325 -1.695 1.00 1.86 H new ATOM 0 HD12 LEU B 46 7.425 -10.094 -1.497 1.00 1.86 H new ATOM 0 HD13 LEU B 46 7.470 -9.037 -0.066 1.00 1.86 H new ATOM 0 HD21 LEU B 46 9.433 -6.975 -1.219 1.00 1.75 H new ATOM 0 HD22 LEU B 46 9.561 -7.681 0.410 1.00 1.75 H new ATOM 0 HD23 LEU B 46 10.937 -7.780 -0.714 1.00 1.75 H new ATOM 2376 N PRO B 47 12.126 -12.658 -1.598 1.00 1.60 N ATOM 2377 CA PRO B 47 13.567 -12.425 -1.513 1.00 1.56 C ATOM 2378 C PRO B 47 14.189 -11.537 -2.595 1.00 1.32 C ATOM 2379 O PRO B 47 14.941 -10.619 -2.273 1.00 1.55 O ATOM 2380 CB PRO B 47 14.229 -13.808 -1.426 1.00 1.91 C ATOM 2381 CG PRO B 47 13.111 -14.793 -1.767 1.00 2.22 C ATOM 2382 CD PRO B 47 11.851 -14.056 -1.328 1.00 2.40 C ATOM 0 HA PRO B 47 13.753 -11.822 -0.624 1.00 1.56 H new ATOM 0 HB2 PRO B 47 15.060 -13.894 -2.126 1.00 1.91 H new ATOM 0 HB3 PRO B 47 14.630 -13.993 -0.430 1.00 1.91 H new ATOM 0 HG2 PRO B 47 13.091 -15.026 -2.832 1.00 2.22 H new ATOM 0 HG3 PRO B 47 13.231 -15.737 -1.236 1.00 2.22 H new ATOM 0 HD2 PRO B 47 10.978 -14.401 -1.881 1.00 2.40 H new ATOM 0 HD3 PRO B 47 11.644 -14.221 -0.271 1.00 2.40 H new ATOM 2390 N HIS B 48 13.925 -11.819 -3.873 1.00 1.26 N ATOM 2391 CA HIS B 48 14.592 -11.124 -4.964 1.00 1.21 C ATOM 2392 C HIS B 48 14.220 -9.636 -5.043 1.00 1.16 C ATOM 2393 O HIS B 48 15.038 -8.839 -5.497 1.00 1.73 O ATOM 2394 CB HIS B 48 14.305 -11.850 -6.286 1.00 1.22 C ATOM 2395 CG HIS B 48 15.124 -11.375 -7.465 1.00 1.37 C ATOM 2396 ND1 HIS B 48 14.709 -11.377 -8.778 1.00 2.16 N ATOM 2397 CD2 HIS B 48 16.435 -10.972 -7.451 1.00 2.06 C ATOM 2398 CE1 HIS B 48 15.749 -10.982 -9.533 1.00 2.22 C ATOM 2399 NE2 HIS B 48 16.825 -10.727 -8.771 1.00 2.00 N ATOM 0 H HIS B 48 13.253 -12.525 -4.173 1.00 1.26 H new ATOM 0 HA HIS B 48 15.664 -11.146 -4.767 1.00 1.21 H new ATOM 0 HB2 HIS B 48 14.484 -12.916 -6.144 1.00 1.22 H new ATOM 0 HB3 HIS B 48 13.248 -11.733 -6.526 1.00 1.22 H new ATOM 0 HD2 HIS B 48 17.057 -10.863 -6.575 1.00 2.06 H new ATOM 0 HE1 HIS B 48 15.723 -10.883 -10.608 1.00 2.22 H new ATOM 0 HE2 HIS B 48 17.743 -10.417 -9.091 1.00 2.00 H new ATOM 2407 N LEU B 49 12.998 -9.259 -4.644 1.00 0.97 N ATOM 2408 CA LEU B 49 12.484 -7.911 -4.872 1.00 0.88 C ATOM 2409 C LEU B 49 13.271 -6.897 -4.030 1.00 0.92 C ATOM 2410 O LEU B 49 14.108 -6.159 -4.550 1.00 1.19 O ATOM 2411 CB LEU B 49 10.974 -7.885 -4.600 1.00 0.73 C ATOM 2412 CG LEU B 49 10.275 -6.579 -5.016 1.00 0.70 C ATOM 2413 CD1 LEU B 49 10.272 -6.387 -6.534 1.00 0.83 C ATOM 2414 CD2 LEU B 49 8.817 -6.629 -4.559 1.00 0.69 C ATOM 0 H LEU B 49 12.347 -9.876 -4.159 1.00 0.97 H new ATOM 0 HA LEU B 49 12.625 -7.621 -5.913 1.00 0.88 H new ATOM 0 HB2 LEU B 49 10.508 -8.716 -5.128 1.00 0.73 H new ATOM 0 HB3 LEU B 49 10.806 -8.049 -3.536 1.00 0.73 H new ATOM 0 HG LEU B 49 10.821 -5.756 -4.556 1.00 0.70 H new ATOM 0 HD11 LEU B 49 9.768 -5.453 -6.782 1.00 0.83 H new ATOM 0 HD12 LEU B 49 11.299 -6.354 -6.899 1.00 0.83 H new ATOM 0 HD13 LEU B 49 9.747 -7.218 -7.005 1.00 0.83 H new ATOM 0 HD21 LEU B 49 8.313 -5.707 -4.849 1.00 0.69 H new ATOM 0 HD22 LEU B 49 8.318 -7.478 -5.026 1.00 0.69 H new ATOM 0 HD23 LEU B 49 8.779 -6.737 -3.475 1.00 0.69 H new ATOM 2426 N LEU B 50 13.045 -6.869 -2.711 1.00 0.81 N ATOM 2427 CA LEU B 50 13.893 -6.093 -1.813 1.00 0.90 C ATOM 2428 C LEU B 50 15.163 -6.884 -1.558 1.00 0.94 C ATOM 2429 O LEU B 50 15.326 -7.496 -0.503 1.00 1.67 O ATOM 2430 CB LEU B 50 13.195 -5.746 -0.492 1.00 1.12 C ATOM 2431 CG LEU B 50 12.148 -4.638 -0.649 1.00 0.71 C ATOM 2432 CD1 LEU B 50 11.330 -4.561 0.643 1.00 1.13 C ATOM 2433 CD2 LEU B 50 12.792 -3.265 -0.890 1.00 0.88 C ATOM 0 H LEU B 50 12.287 -7.372 -2.250 1.00 0.81 H new ATOM 0 HA LEU B 50 14.123 -5.140 -2.290 1.00 0.90 H new ATOM 0 HB2 LEU B 50 12.715 -6.640 -0.094 1.00 1.12 H new ATOM 0 HB3 LEU B 50 13.942 -5.433 0.238 1.00 1.12 H new ATOM 0 HG LEU B 50 11.527 -4.880 -1.511 1.00 0.71 H new ATOM 0 HD11 LEU B 50 10.578 -3.777 0.551 1.00 1.13 H new ATOM 0 HD12 LEU B 50 10.838 -5.517 0.819 1.00 1.13 H new ATOM 0 HD13 LEU B 50 11.991 -4.334 1.479 1.00 1.13 H new ATOM 0 HD21 LEU B 50 12.012 -2.511 -0.995 1.00 0.88 H new ATOM 0 HD22 LEU B 50 13.432 -3.010 -0.045 1.00 0.88 H new ATOM 0 HD23 LEU B 50 13.390 -3.298 -1.801 1.00 0.88 H new ATOM 2445 N LYS B 51 16.077 -6.835 -2.525 1.00 0.95 N ATOM 2446 CA LYS B 51 17.431 -7.315 -2.311 1.00 1.11 C ATOM 2447 C LYS B 51 18.087 -6.557 -1.138 1.00 1.18 C ATOM 2448 O LYS B 51 17.541 -5.573 -0.640 1.00 1.75 O ATOM 2449 CB LYS B 51 18.213 -7.316 -3.638 1.00 1.47 C ATOM 2450 CG LYS B 51 18.556 -5.945 -4.248 1.00 1.85 C ATOM 2451 CD LYS B 51 19.611 -5.224 -3.403 1.00 2.65 C ATOM 2452 CE LYS B 51 20.536 -4.284 -4.182 1.00 3.61 C ATOM 2453 NZ LYS B 51 21.555 -3.726 -3.269 1.00 4.93 N ATOM 0 H LYS B 51 15.901 -6.468 -3.460 1.00 0.95 H new ATOM 0 HA LYS B 51 17.430 -8.358 -1.995 1.00 1.11 H new ATOM 0 HB2 LYS B 51 19.145 -7.860 -3.482 1.00 1.47 H new ATOM 0 HB3 LYS B 51 17.635 -7.878 -4.371 1.00 1.47 H new ATOM 0 HG2 LYS B 51 18.925 -6.076 -5.265 1.00 1.85 H new ATOM 0 HG3 LYS B 51 17.655 -5.335 -4.312 1.00 1.85 H new ATOM 0 HD2 LYS B 51 19.103 -4.649 -2.629 1.00 2.65 H new ATOM 0 HD3 LYS B 51 20.221 -5.972 -2.896 1.00 2.65 H new ATOM 0 HE2 LYS B 51 21.019 -4.824 -4.996 1.00 3.61 H new ATOM 0 HE3 LYS B 51 19.957 -3.478 -4.633 1.00 3.61 H new ATOM 0 HZ1 LYS B 51 22.298 -3.255 -3.824 1.00 4.93 H new ATOM 0 HZ2 LYS B 51 21.109 -3.036 -2.632 1.00 4.93 H new ATOM 0 HZ3 LYS B 51 21.976 -4.494 -2.708 1.00 4.93 H new ATOM 2467 N ASP B 52 19.255 -7.025 -0.685 1.00 1.40 N ATOM 2468 CA ASP B 52 19.904 -6.614 0.565 1.00 1.50 C ATOM 2469 C ASP B 52 19.062 -7.081 1.760 1.00 1.35 C ATOM 2470 O ASP B 52 18.938 -6.380 2.765 1.00 1.60 O ATOM 2471 CB ASP B 52 20.222 -5.106 0.655 1.00 1.76 C ATOM 2472 CG ASP B 52 20.970 -4.521 -0.530 1.00 3.43 C ATOM 2473 OD1 ASP B 52 21.799 -5.223 -1.155 1.00 4.76 O ATOM 2474 OD2 ASP B 52 20.677 -3.361 -0.896 1.00 4.13 O ATOM 0 H ASP B 52 19.793 -7.725 -1.196 1.00 1.40 H new ATOM 0 HA ASP B 52 20.879 -7.101 0.584 1.00 1.50 H new ATOM 0 HB2 ASP B 52 19.285 -4.562 0.775 1.00 1.76 H new ATOM 0 HB3 ASP B 52 20.810 -4.930 1.556 1.00 1.76 H new ATOM 2479 N VAL B 53 18.516 -8.299 1.663 1.00 1.24 N ATOM 2480 CA VAL B 53 17.722 -8.928 2.714 1.00 1.28 C ATOM 2481 C VAL B 53 18.521 -9.091 4.013 1.00 1.52 C ATOM 2482 O VAL B 53 17.943 -9.185 5.095 1.00 1.61 O ATOM 2483 CB VAL B 53 17.151 -10.278 2.235 1.00 1.41 C ATOM 2484 CG1 VAL B 53 16.172 -10.089 1.071 1.00 1.64 C ATOM 2485 CG2 VAL B 53 18.241 -11.279 1.826 1.00 2.00 C ATOM 0 H VAL B 53 18.618 -8.883 0.833 1.00 1.24 H new ATOM 0 HA VAL B 53 16.886 -8.265 2.935 1.00 1.28 H new ATOM 0 HB VAL B 53 16.622 -10.694 3.092 1.00 1.41 H new ATOM 0 HG11 VAL B 53 15.788 -11.060 0.757 1.00 1.64 H new ATOM 0 HG12 VAL B 53 15.344 -9.457 1.391 1.00 1.64 H new ATOM 0 HG13 VAL B 53 16.687 -9.615 0.235 1.00 1.64 H new ATOM 0 HG21 VAL B 53 17.776 -12.209 1.499 1.00 2.00 H new ATOM 0 HG22 VAL B 53 18.831 -10.861 1.010 1.00 2.00 H new ATOM 0 HG23 VAL B 53 18.890 -11.478 2.678 1.00 2.00 H new ATOM 2495 N GLY B 54 19.855 -9.141 3.922 1.00 1.98 N ATOM 2496 CA GLY B 54 20.723 -9.115 5.087 1.00 2.47 C ATOM 2497 C GLY B 54 20.364 -7.914 5.961 1.00 2.15 C ATOM 2498 O GLY B 54 19.827 -8.090 7.063 1.00 2.45 O ATOM 0 H GLY B 54 20.355 -9.201 3.035 1.00 1.98 H new ATOM 0 HA2 GLY B 54 20.614 -10.038 5.656 1.00 2.47 H new ATOM 0 HA3 GLY B 54 21.766 -9.054 4.776 1.00 2.47 H new ATOM 2502 N SER B 55 20.620 -6.716 5.431 1.00 1.74 N ATOM 2503 CA SER B 55 20.405 -5.417 6.054 1.00 1.55 C ATOM 2504 C SER B 55 18.913 -5.080 6.137 1.00 1.33 C ATOM 2505 O SER B 55 18.430 -4.108 5.557 1.00 1.56 O ATOM 2506 CB SER B 55 21.180 -4.377 5.237 1.00 1.74 C ATOM 2507 OG SER B 55 22.473 -4.884 4.955 1.00 3.17 O ATOM 0 H SER B 55 21.009 -6.627 4.492 1.00 1.74 H new ATOM 0 HA SER B 55 20.769 -5.425 7.082 1.00 1.55 H new ATOM 0 HB2 SER B 55 20.651 -4.156 4.310 1.00 1.74 H new ATOM 0 HB3 SER B 55 21.255 -3.442 5.792 1.00 1.74 H new ATOM 0 HG SER B 55 22.975 -4.226 4.431 1.00 3.17 H new ATOM 2513 N LEU B 56 18.166 -5.904 6.864 1.00 1.12 N ATOM 2514 CA LEU B 56 16.767 -5.708 7.136 1.00 0.97 C ATOM 2515 C LEU B 56 16.614 -4.713 8.281 1.00 0.95 C ATOM 2516 O LEU B 56 15.705 -3.894 8.256 1.00 0.92 O ATOM 2517 CB LEU B 56 16.188 -7.089 7.459 1.00 0.99 C ATOM 2518 CG LEU B 56 14.674 -7.148 7.683 1.00 0.95 C ATOM 2519 CD1 LEU B 56 14.291 -6.844 9.134 1.00 1.05 C ATOM 2520 CD2 LEU B 56 13.923 -6.259 6.695 1.00 0.89 C ATOM 0 H LEU B 56 18.541 -6.752 7.289 1.00 1.12 H new ATOM 0 HA LEU B 56 16.226 -5.286 6.289 1.00 0.97 H new ATOM 0 HB2 LEU B 56 16.441 -7.767 6.644 1.00 0.99 H new ATOM 0 HB3 LEU B 56 16.682 -7.468 8.353 1.00 0.99 H new ATOM 0 HG LEU B 56 14.365 -8.175 7.490 1.00 0.95 H new ATOM 0 HD11 LEU B 56 13.208 -6.898 9.243 1.00 1.05 H new ATOM 0 HD12 LEU B 56 14.759 -7.574 9.794 1.00 1.05 H new ATOM 0 HD13 LEU B 56 14.633 -5.843 9.399 1.00 1.05 H new ATOM 0 HD21 LEU B 56 12.852 -6.327 6.885 1.00 0.89 H new ATOM 0 HD22 LEU B 56 14.248 -5.226 6.816 1.00 0.89 H new ATOM 0 HD23 LEU B 56 14.132 -6.588 5.677 1.00 0.89 H new ATOM 2532 N ASP B 57 17.497 -4.771 9.280 1.00 1.06 N ATOM 2533 CA ASP B 57 17.416 -3.944 10.473 1.00 1.11 C ATOM 2534 C ASP B 57 17.343 -2.456 10.116 1.00 1.04 C ATOM 2535 O ASP B 57 16.469 -1.752 10.611 1.00 1.01 O ATOM 2536 CB ASP B 57 18.596 -4.259 11.404 1.00 1.38 C ATOM 2537 CG ASP B 57 19.894 -3.667 10.880 1.00 2.34 C ATOM 2538 OD1 ASP B 57 20.175 -3.902 9.684 1.00 3.21 O ATOM 2539 OD2 ASP B 57 20.502 -2.898 11.656 1.00 3.53 O ATOM 0 H ASP B 57 18.297 -5.404 9.278 1.00 1.06 H new ATOM 0 HA ASP B 57 16.494 -4.178 11.004 1.00 1.11 H new ATOM 0 HB2 ASP B 57 18.391 -3.864 12.399 1.00 1.38 H new ATOM 0 HB3 ASP B 57 18.702 -5.339 11.505 1.00 1.38 H new ATOM 2544 N GLU B 58 18.239 -1.967 9.257 1.00 1.14 N ATOM 2545 CA GLU B 58 18.211 -0.582 8.799 1.00 1.22 C ATOM 2546 C GLU B 58 16.890 -0.255 8.088 1.00 1.11 C ATOM 2547 O GLU B 58 16.307 0.806 8.316 1.00 1.12 O ATOM 2548 CB GLU B 58 19.493 -0.222 8.027 1.00 1.65 C ATOM 2549 CG GLU B 58 19.911 -1.170 6.890 1.00 2.81 C ATOM 2550 CD GLU B 58 19.296 -0.849 5.540 1.00 2.23 C ATOM 2551 OE1 GLU B 58 18.377 -0.007 5.486 1.00 2.52 O ATOM 2552 OE2 GLU B 58 19.734 -1.487 4.558 1.00 3.08 O ATOM 0 H GLU B 58 19.000 -2.519 8.862 1.00 1.14 H new ATOM 0 HA GLU B 58 18.222 0.084 9.662 1.00 1.22 H new ATOM 0 HB2 GLU B 58 19.367 0.776 7.607 1.00 1.65 H new ATOM 0 HB3 GLU B 58 20.315 -0.166 8.741 1.00 1.65 H new ATOM 0 HG2 GLU B 58 20.997 -1.145 6.795 1.00 2.81 H new ATOM 0 HG3 GLU B 58 19.638 -2.189 7.166 1.00 2.81 H new ATOM 2559 N LYS B 59 16.365 -1.202 7.307 1.00 1.09 N ATOM 2560 CA LYS B 59 15.083 -1.061 6.628 1.00 1.14 C ATOM 2561 C LYS B 59 13.971 -0.879 7.671 1.00 0.98 C ATOM 2562 O LYS B 59 13.217 0.091 7.632 1.00 1.07 O ATOM 2563 CB LYS B 59 14.844 -2.292 5.724 1.00 1.31 C ATOM 2564 CG LYS B 59 14.347 -1.956 4.306 1.00 1.14 C ATOM 2565 CD LYS B 59 15.307 -2.499 3.233 1.00 1.73 C ATOM 2566 CE LYS B 59 16.670 -1.783 3.292 1.00 2.65 C ATOM 2567 NZ LYS B 59 17.815 -2.712 3.370 1.00 4.04 N ATOM 0 H LYS B 59 16.825 -2.095 7.129 1.00 1.09 H new ATOM 0 HA LYS B 59 15.082 -0.178 5.989 1.00 1.14 H new ATOM 0 HB2 LYS B 59 15.774 -2.855 5.645 1.00 1.31 H new ATOM 0 HB3 LYS B 59 14.116 -2.945 6.205 1.00 1.31 H new ATOM 0 HG2 LYS B 59 13.354 -2.380 4.157 1.00 1.14 H new ATOM 0 HG3 LYS B 59 14.252 -0.876 4.198 1.00 1.14 H new ATOM 0 HD2 LYS B 59 15.449 -3.570 3.377 1.00 1.73 H new ATOM 0 HD3 LYS B 59 14.866 -2.366 2.245 1.00 1.73 H new ATOM 0 HE2 LYS B 59 16.781 -1.154 2.409 1.00 2.65 H new ATOM 0 HE3 LYS B 59 16.688 -1.122 4.158 1.00 2.65 H new ATOM 0 HZ1 LYS B 59 18.685 -2.175 3.560 1.00 4.04 H new ATOM 0 HZ2 LYS B 59 17.656 -3.396 4.137 1.00 4.04 H new ATOM 0 HZ3 LYS B 59 17.912 -3.220 2.468 1.00 4.04 H new ATOM 2581 N MET B 60 13.898 -1.815 8.619 1.00 0.86 N ATOM 2582 CA MET B 60 12.969 -1.838 9.736 1.00 0.88 C ATOM 2583 C MET B 60 13.032 -0.514 10.501 1.00 0.88 C ATOM 2584 O MET B 60 12.009 0.135 10.689 1.00 0.90 O ATOM 2585 CB MET B 60 13.284 -3.083 10.585 1.00 1.03 C ATOM 2586 CG MET B 60 12.520 -3.187 11.909 1.00 1.02 C ATOM 2587 SD MET B 60 13.214 -2.218 13.276 1.00 1.54 S ATOM 2588 CE MET B 60 12.105 -2.675 14.623 1.00 1.60 C ATOM 0 H MET B 60 14.524 -2.620 8.622 1.00 0.86 H new ATOM 0 HA MET B 60 11.934 -1.923 9.405 1.00 0.88 H new ATOM 0 HB2 MET B 60 13.069 -3.971 9.991 1.00 1.03 H new ATOM 0 HB3 MET B 60 14.353 -3.094 10.800 1.00 1.03 H new ATOM 0 HG2 MET B 60 11.491 -2.867 11.743 1.00 1.02 H new ATOM 0 HG3 MET B 60 12.484 -4.234 12.208 1.00 1.02 H new ATOM 0 HE1 MET B 60 12.437 -2.199 15.545 1.00 1.60 H new ATOM 0 HE2 MET B 60 11.093 -2.345 14.389 1.00 1.60 H new ATOM 0 HE3 MET B 60 12.114 -3.758 14.750 1.00 1.60 H new ATOM 2598 N LYS B 61 14.229 -0.089 10.909 1.00 0.94 N ATOM 2599 CA LYS B 61 14.429 1.165 11.625 1.00 1.06 C ATOM 2600 C LYS B 61 13.917 2.343 10.790 1.00 1.10 C ATOM 2601 O LYS B 61 13.221 3.214 11.308 1.00 1.12 O ATOM 2602 CB LYS B 61 15.916 1.335 11.963 1.00 1.26 C ATOM 2603 CG LYS B 61 16.397 0.301 12.994 1.00 2.41 C ATOM 2604 CD LYS B 61 17.924 0.156 12.915 1.00 2.70 C ATOM 2605 CE LYS B 61 18.436 -0.937 13.860 1.00 3.01 C ATOM 2606 NZ LYS B 61 19.842 -1.302 13.575 1.00 4.30 N ATOM 0 H LYS B 61 15.090 -0.611 10.749 1.00 0.94 H new ATOM 0 HA LYS B 61 13.861 1.143 12.555 1.00 1.06 H new ATOM 0 HB2 LYS B 61 16.507 1.240 11.052 1.00 1.26 H new ATOM 0 HB3 LYS B 61 16.087 2.339 12.351 1.00 1.26 H new ATOM 0 HG2 LYS B 61 16.104 0.611 13.997 1.00 2.41 H new ATOM 0 HG3 LYS B 61 15.921 -0.662 12.806 1.00 2.41 H new ATOM 0 HD2 LYS B 61 18.215 -0.081 11.892 1.00 2.70 H new ATOM 0 HD3 LYS B 61 18.394 1.106 13.168 1.00 2.70 H new ATOM 0 HE2 LYS B 61 18.352 -0.593 14.891 1.00 3.01 H new ATOM 0 HE3 LYS B 61 17.806 -1.821 13.767 1.00 3.01 H new ATOM 0 HZ1 LYS B 61 20.342 -1.482 14.469 1.00 4.30 H new ATOM 0 HZ2 LYS B 61 19.866 -2.159 12.987 1.00 4.30 H new ATOM 0 HZ3 LYS B 61 20.307 -0.522 13.069 1.00 4.30 H new ATOM 2620 N SER B 62 14.262 2.370 9.499 1.00 1.19 N ATOM 2621 CA SER B 62 13.813 3.405 8.577 1.00 1.38 C ATOM 2622 C SER B 62 12.280 3.452 8.525 1.00 1.35 C ATOM 2623 O SER B 62 11.689 4.527 8.580 1.00 1.54 O ATOM 2624 CB SER B 62 14.437 3.173 7.193 1.00 1.49 C ATOM 2625 OG SER B 62 14.225 4.290 6.351 1.00 1.60 O ATOM 0 H SER B 62 14.864 1.669 9.067 1.00 1.19 H new ATOM 0 HA SER B 62 14.147 4.380 8.932 1.00 1.38 H new ATOM 0 HB2 SER B 62 15.506 2.989 7.298 1.00 1.49 H new ATOM 0 HB3 SER B 62 14.003 2.282 6.739 1.00 1.49 H new ATOM 0 HG SER B 62 14.632 4.122 5.475 1.00 1.60 H new ATOM 2631 N LEU B 63 11.628 2.291 8.439 1.00 1.23 N ATOM 2632 CA LEU B 63 10.173 2.190 8.462 1.00 1.24 C ATOM 2633 C LEU B 63 9.600 2.677 9.800 1.00 1.28 C ATOM 2634 O LEU B 63 8.623 3.422 9.819 1.00 1.32 O ATOM 2635 CB LEU B 63 9.759 0.738 8.200 1.00 1.15 C ATOM 2636 CG LEU B 63 10.033 0.270 6.763 1.00 1.29 C ATOM 2637 CD1 LEU B 63 10.128 -1.255 6.765 1.00 1.09 C ATOM 2638 CD2 LEU B 63 8.883 0.681 5.845 1.00 1.75 C ATOM 0 H LEU B 63 12.100 1.391 8.351 1.00 1.23 H new ATOM 0 HA LEU B 63 9.768 2.831 7.679 1.00 1.24 H new ATOM 0 HB2 LEU B 63 10.291 0.087 8.893 1.00 1.15 H new ATOM 0 HB3 LEU B 63 8.696 0.628 8.412 1.00 1.15 H new ATOM 0 HG LEU B 63 10.958 0.722 6.405 1.00 1.29 H new ATOM 0 HD11 LEU B 63 10.323 -1.609 5.753 1.00 1.09 H new ATOM 0 HD12 LEU B 63 10.940 -1.568 7.421 1.00 1.09 H new ATOM 0 HD13 LEU B 63 9.189 -1.678 7.123 1.00 1.09 H new ATOM 0 HD21 LEU B 63 9.090 0.343 4.829 1.00 1.75 H new ATOM 0 HD22 LEU B 63 7.957 0.227 6.197 1.00 1.75 H new ATOM 0 HD23 LEU B 63 8.781 1.766 5.853 1.00 1.75 H new ATOM 2650 N ASP B 64 10.205 2.260 10.915 1.00 1.28 N ATOM 2651 CA ASP B 64 9.729 2.401 12.294 1.00 1.38 C ATOM 2652 C ASP B 64 9.300 3.796 12.793 1.00 1.39 C ATOM 2653 O ASP B 64 8.903 3.905 13.956 1.00 1.50 O ATOM 2654 CB ASP B 64 10.598 1.641 13.311 1.00 1.44 C ATOM 2655 CG ASP B 64 9.826 1.398 14.603 1.00 1.58 C ATOM 2656 OD1 ASP B 64 8.618 1.082 14.507 1.00 1.53 O ATOM 2657 OD2 ASP B 64 10.396 1.607 15.693 1.00 2.11 O ATOM 0 H ASP B 64 11.105 1.781 10.875 1.00 1.28 H new ATOM 0 HA ASP B 64 8.761 1.904 12.225 1.00 1.38 H new ATOM 0 HB2 ASP B 64 10.915 0.689 12.886 1.00 1.44 H new ATOM 0 HB3 ASP B 64 11.502 2.212 13.523 1.00 1.44 H new ATOM 2662 N VAL B 65 9.532 4.864 12.014 1.00 1.35 N ATOM 2663 CA VAL B 65 10.036 6.211 12.317 1.00 1.50 C ATOM 2664 C VAL B 65 9.675 6.864 13.661 1.00 1.63 C ATOM 2665 O VAL B 65 10.379 7.782 14.075 1.00 1.87 O ATOM 2666 CB VAL B 65 9.582 7.175 11.198 1.00 1.43 C ATOM 2667 CG1 VAL B 65 10.178 6.817 9.834 1.00 1.66 C ATOM 2668 CG2 VAL B 65 8.052 7.241 11.069 1.00 1.62 C ATOM 0 H VAL B 65 9.342 4.789 11.015 1.00 1.35 H new ATOM 0 HA VAL B 65 11.112 6.048 12.386 1.00 1.50 H new ATOM 0 HB VAL B 65 9.957 8.153 11.499 1.00 1.43 H new ATOM 0 HG11 VAL B 65 9.826 7.527 9.085 1.00 1.66 H new ATOM 0 HG12 VAL B 65 11.266 6.859 9.890 1.00 1.66 H new ATOM 0 HG13 VAL B 65 9.867 5.810 9.554 1.00 1.66 H new ATOM 0 HG21 VAL B 65 7.784 7.932 10.269 1.00 1.62 H new ATOM 0 HG22 VAL B 65 7.663 6.249 10.838 1.00 1.62 H new ATOM 0 HG23 VAL B 65 7.622 7.589 12.008 1.00 1.62 H new ATOM 2678 N ASN B 66 8.634 6.422 14.367 1.00 1.56 N ATOM 2679 CA ASN B 66 8.500 6.714 15.793 1.00 1.75 C ATOM 2680 C ASN B 66 9.772 6.277 16.531 1.00 2.10 C ATOM 2681 O ASN B 66 10.179 6.923 17.492 1.00 2.47 O ATOM 2682 CB ASN B 66 7.300 5.995 16.438 1.00 1.72 C ATOM 2683 CG ASN B 66 6.192 5.607 15.469 1.00 2.16 C ATOM 2684 OD1 ASN B 66 6.224 4.512 14.909 1.00 2.20 O ATOM 2685 ND2 ASN B 66 5.221 6.486 15.238 1.00 3.18 N ATOM 0 H ASN B 66 7.875 5.863 13.977 1.00 1.56 H new ATOM 0 HA ASN B 66 8.340 7.789 15.879 1.00 1.75 H new ATOM 0 HB2 ASN B 66 7.659 5.095 16.937 1.00 1.72 H new ATOM 0 HB3 ASN B 66 6.879 6.640 17.209 1.00 1.72 H new ATOM 0 HD21 ASN B 66 4.475 6.260 14.581 1.00 3.18 H new ATOM 0 HD22 ASN B 66 5.223 7.386 15.718 1.00 3.18 H new ATOM 2692 N GLN B 67 10.362 5.155 16.091 1.00 2.00 N ATOM 2693 CA GLN B 67 11.464 4.462 16.748 1.00 2.10 C ATOM 2694 C GLN B 67 10.977 3.889 18.082 1.00 2.11 C ATOM 2695 O GLN B 67 11.433 4.281 19.154 1.00 2.27 O ATOM 2696 CB GLN B 67 12.729 5.327 16.847 1.00 2.43 C ATOM 2697 CG GLN B 67 13.135 5.857 15.463 1.00 3.42 C ATOM 2698 CD GLN B 67 14.598 6.283 15.423 1.00 3.44 C ATOM 2699 OE1 GLN B 67 14.915 7.466 15.347 1.00 4.33 O ATOM 2700 NE2 GLN B 67 15.509 5.314 15.461 1.00 3.47 N ATOM 0 H GLN B 67 10.067 4.692 15.231 1.00 2.00 H new ATOM 0 HA GLN B 67 11.781 3.620 16.133 1.00 2.10 H new ATOM 0 HB2 GLN B 67 12.552 6.163 17.524 1.00 2.43 H new ATOM 0 HB3 GLN B 67 13.544 4.741 17.271 1.00 2.43 H new ATOM 0 HG2 GLN B 67 12.961 5.085 14.714 1.00 3.42 H new ATOM 0 HG3 GLN B 67 12.503 6.705 15.199 1.00 3.42 H new ATOM 0 HE21 GLN B 67 15.215 4.339 15.524 1.00 3.47 H new ATOM 0 HE22 GLN B 67 16.502 5.546 15.427 1.00 3.47 H new ATOM 2709 N ASP B 68 10.024 2.960 17.975 1.00 2.09 N ATOM 2710 CA ASP B 68 9.306 2.309 19.071 1.00 2.07 C ATOM 2711 C ASP B 68 9.492 0.779 19.077 1.00 1.85 C ATOM 2712 O ASP B 68 9.213 0.144 20.092 1.00 2.15 O ATOM 2713 CB ASP B 68 7.816 2.701 19.024 1.00 2.23 C ATOM 2714 CG ASP B 68 7.152 2.310 17.719 1.00 2.16 C ATOM 2715 OD1 ASP B 68 7.597 1.363 17.054 1.00 2.07 O ATOM 2716 OD2 ASP B 68 6.276 3.015 17.181 1.00 2.44 O ATOM 0 H ASP B 68 9.715 2.622 17.064 1.00 2.09 H new ATOM 0 HA ASP B 68 9.735 2.663 20.008 1.00 2.07 H new ATOM 0 HB2 ASP B 68 7.292 2.223 19.852 1.00 2.23 H new ATOM 0 HB3 ASP B 68 7.723 3.778 19.167 1.00 2.23 H new ATOM 2721 N SER B 69 9.964 0.175 17.978 1.00 1.80 N ATOM 2722 CA SER B 69 10.139 -1.260 17.791 1.00 1.58 C ATOM 2723 C SER B 69 8.812 -2.015 17.657 1.00 1.51 C ATOM 2724 O SER B 69 8.781 -3.230 17.849 1.00 1.58 O ATOM 2725 CB SER B 69 11.066 -1.866 18.853 1.00 1.75 C ATOM 2726 OG SER B 69 12.271 -1.127 18.909 1.00 2.69 O ATOM 0 H SER B 69 10.247 0.708 17.156 1.00 1.80 H new ATOM 0 HA SER B 69 10.639 -1.387 16.831 1.00 1.58 H new ATOM 0 HB2 SER B 69 10.576 -1.856 19.827 1.00 1.75 H new ATOM 0 HB3 SER B 69 11.278 -2.908 18.614 1.00 1.75 H new ATOM 0 HG SER B 69 12.861 -1.514 19.589 1.00 2.69 H new ATOM 2732 N GLU B 70 7.739 -1.319 17.268 1.00 1.59 N ATOM 2733 CA GLU B 70 6.479 -1.896 16.830 1.00 1.55 C ATOM 2734 C GLU B 70 6.154 -1.239 15.484 1.00 1.44 C ATOM 2735 O GLU B 70 5.887 -0.034 15.429 1.00 1.52 O ATOM 2736 CB GLU B 70 5.372 -1.624 17.872 1.00 1.75 C ATOM 2737 CG GLU B 70 4.468 -2.852 18.092 1.00 1.74 C ATOM 2738 CD GLU B 70 3.105 -2.518 18.701 1.00 2.50 C ATOM 2739 OE1 GLU B 70 2.828 -1.325 18.950 1.00 3.37 O ATOM 2740 OE2 GLU B 70 2.252 -3.425 18.813 1.00 2.87 O ATOM 0 H GLU B 70 7.731 -0.299 17.252 1.00 1.59 H new ATOM 0 HA GLU B 70 6.546 -2.979 16.724 1.00 1.55 H new ATOM 0 HB2 GLU B 70 5.829 -1.337 18.819 1.00 1.75 H new ATOM 0 HB3 GLU B 70 4.764 -0.781 17.543 1.00 1.75 H new ATOM 0 HG2 GLU B 70 4.315 -3.354 17.137 1.00 1.74 H new ATOM 0 HG3 GLU B 70 4.983 -3.558 18.744 1.00 1.74 H new ATOM 2747 N LEU B 71 6.181 -1.991 14.383 1.00 1.34 N ATOM 2748 CA LEU B 71 5.772 -1.448 13.095 1.00 1.30 C ATOM 2749 C LEU B 71 4.250 -1.507 13.067 1.00 1.36 C ATOM 2750 O LEU B 71 3.678 -2.594 12.990 1.00 1.35 O ATOM 2751 CB LEU B 71 6.369 -2.257 11.934 1.00 1.21 C ATOM 2752 CG LEU B 71 7.828 -1.953 11.582 1.00 1.25 C ATOM 2753 CD1 LEU B 71 7.949 -0.643 10.801 1.00 1.26 C ATOM 2754 CD2 LEU B 71 8.752 -1.961 12.800 1.00 1.41 C ATOM 0 H LEU B 71 6.479 -2.966 14.360 1.00 1.34 H new ATOM 0 HA LEU B 71 6.131 -0.426 12.975 1.00 1.30 H new ATOM 0 HB2 LEU B 71 6.288 -3.317 12.177 1.00 1.21 H new ATOM 0 HB3 LEU B 71 5.759 -2.086 11.047 1.00 1.21 H new ATOM 0 HG LEU B 71 8.164 -2.766 10.939 1.00 1.25 H new ATOM 0 HD11 LEU B 71 8.997 -0.455 10.566 1.00 1.26 H new ATOM 0 HD12 LEU B 71 7.377 -0.717 9.876 1.00 1.26 H new ATOM 0 HD13 LEU B 71 7.560 0.177 11.404 1.00 1.26 H new ATOM 0 HD21 LEU B 71 9.772 -1.739 12.485 1.00 1.41 H new ATOM 0 HD22 LEU B 71 8.420 -1.207 13.513 1.00 1.41 H new ATOM 0 HD23 LEU B 71 8.724 -2.943 13.272 1.00 1.41 H new ATOM 2766 N LYS B 72 3.581 -0.357 13.117 1.00 1.49 N ATOM 2767 CA LYS B 72 2.136 -0.319 13.228 1.00 1.53 C ATOM 2768 C LYS B 72 1.537 -0.584 11.850 1.00 1.30 C ATOM 2769 O LYS B 72 2.232 -0.533 10.832 1.00 1.19 O ATOM 2770 CB LYS B 72 1.733 1.086 13.716 1.00 1.89 C ATOM 2771 CG LYS B 72 0.300 1.230 14.247 1.00 1.52 C ATOM 2772 CD LYS B 72 -0.055 0.197 15.332 1.00 2.09 C ATOM 2773 CE LYS B 72 0.991 0.169 16.462 1.00 2.69 C ATOM 2774 NZ LYS B 72 0.762 -0.940 17.399 1.00 3.72 N ATOM 0 H LYS B 72 4.024 0.561 13.082 1.00 1.49 H new ATOM 0 HA LYS B 72 1.774 -1.071 13.929 1.00 1.53 H new ATOM 0 HB2 LYS B 72 2.423 1.387 14.504 1.00 1.89 H new ATOM 0 HB3 LYS B 72 1.866 1.787 12.892 1.00 1.89 H new ATOM 0 HG2 LYS B 72 0.170 2.233 14.654 1.00 1.52 H new ATOM 0 HG3 LYS B 72 -0.399 1.129 13.417 1.00 1.52 H new ATOM 0 HD2 LYS B 72 -1.034 0.431 15.749 1.00 2.09 H new ATOM 0 HD3 LYS B 72 -0.129 -0.793 14.881 1.00 2.09 H new ATOM 0 HE2 LYS B 72 1.988 0.079 16.031 1.00 2.69 H new ATOM 0 HE3 LYS B 72 0.963 1.114 17.005 1.00 2.69 H new ATOM 0 HZ1 LYS B 72 1.389 -0.834 18.222 1.00 3.72 H new ATOM 0 HZ2 LYS B 72 -0.229 -0.929 17.715 1.00 3.72 H new ATOM 0 HZ3 LYS B 72 0.964 -1.843 16.924 1.00 3.72 H new ATOM 2788 N PHE B 73 0.225 -0.818 11.799 1.00 1.32 N ATOM 2789 CA PHE B 73 -0.471 -0.976 10.532 1.00 1.28 C ATOM 2790 C PHE B 73 -1.004 0.377 10.045 1.00 1.21 C ATOM 2791 O PHE B 73 -2.097 0.459 9.492 1.00 1.41 O ATOM 2792 CB PHE B 73 -1.587 -2.016 10.731 1.00 1.50 C ATOM 2793 CG PHE B 73 -2.441 -1.811 11.974 1.00 2.07 C ATOM 2794 CD1 PHE B 73 -3.535 -0.925 11.950 1.00 2.99 C ATOM 2795 CD2 PHE B 73 -2.076 -2.431 13.185 1.00 3.68 C ATOM 2796 CE1 PHE B 73 -4.258 -0.663 13.128 1.00 4.49 C ATOM 2797 CE2 PHE B 73 -2.795 -2.166 14.362 1.00 5.15 C ATOM 2798 CZ PHE B 73 -3.894 -1.290 14.332 1.00 5.33 C ATOM 0 H PHE B 73 -0.372 -0.901 12.622 1.00 1.32 H new ATOM 0 HA PHE B 73 0.205 -1.334 9.755 1.00 1.28 H new ATOM 0 HB2 PHE B 73 -2.236 -2.002 9.856 1.00 1.50 H new ATOM 0 HB3 PHE B 73 -1.136 -3.007 10.778 1.00 1.50 H new ATOM 0 HD1 PHE B 73 -3.820 -0.445 11.025 1.00 2.99 H new ATOM 0 HD2 PHE B 73 -1.239 -3.113 13.209 1.00 3.68 H new ATOM 0 HE1 PHE B 73 -5.094 0.021 13.107 1.00 4.49 H new ATOM 0 HE2 PHE B 73 -2.504 -2.635 15.290 1.00 5.15 H new ATOM 0 HZ PHE B 73 -4.458 -1.099 15.233 1.00 5.33 H new ATOM 2808 N ASN B 74 -0.116 1.376 10.029 1.00 1.24 N ATOM 2809 CA ASN B 74 0.269 2.091 8.822 1.00 1.06 C ATOM 2810 C ASN B 74 1.662 2.699 9.093 1.00 1.10 C ATOM 2811 O ASN B 74 1.905 3.868 8.815 1.00 1.38 O ATOM 2812 CB ASN B 74 -0.806 3.175 8.570 1.00 1.13 C ATOM 2813 CG ASN B 74 -0.801 3.855 7.202 1.00 1.67 C ATOM 2814 OD1 ASN B 74 -1.821 3.862 6.516 1.00 2.25 O ATOM 2815 ND2 ASN B 74 0.280 4.509 6.812 1.00 2.09 N ATOM 0 H ASN B 74 0.358 1.710 10.868 1.00 1.24 H new ATOM 0 HA ASN B 74 0.329 1.458 7.937 1.00 1.06 H new ATOM 0 HB2 ASN B 74 -1.786 2.721 8.718 1.00 1.13 H new ATOM 0 HB3 ASN B 74 -0.694 3.947 9.332 1.00 1.13 H new ATOM 0 HD21 ASN B 74 0.273 5.027 5.933 1.00 2.09 H new ATOM 0 HD22 ASN B 74 1.120 4.496 7.390 1.00 2.09 H new ATOM 2822 N GLU B 75 2.614 1.915 9.610 1.00 1.04 N ATOM 2823 CA GLU B 75 4.026 1.955 9.273 1.00 1.06 C ATOM 2824 C GLU B 75 4.308 0.925 8.190 1.00 0.98 C ATOM 2825 O GLU B 75 4.717 1.254 7.080 1.00 0.98 O ATOM 2826 CB GLU B 75 4.878 1.722 10.517 1.00 1.16 C ATOM 2827 CG GLU B 75 4.598 2.800 11.563 1.00 1.29 C ATOM 2828 CD GLU B 75 5.373 2.488 12.814 1.00 1.48 C ATOM 2829 OE1 GLU B 75 6.602 2.651 12.849 1.00 2.62 O ATOM 2830 OE2 GLU B 75 4.808 1.999 13.811 1.00 1.42 O ATOM 0 H GLU B 75 2.402 1.203 10.309 1.00 1.04 H new ATOM 0 HA GLU B 75 4.289 2.940 8.888 1.00 1.06 H new ATOM 0 HB2 GLU B 75 4.664 0.738 10.933 1.00 1.16 H new ATOM 0 HB3 GLU B 75 5.935 1.732 10.249 1.00 1.16 H new ATOM 0 HG2 GLU B 75 4.883 3.779 11.179 1.00 1.29 H new ATOM 0 HG3 GLU B 75 3.531 2.842 11.783 1.00 1.29 H new ATOM 2837 N TYR B 76 4.058 -0.341 8.564 1.00 0.95 N ATOM 2838 CA TYR B 76 4.361 -1.539 7.786 1.00 0.88 C ATOM 2839 C TYR B 76 3.945 -1.340 6.339 1.00 0.82 C ATOM 2840 O TYR B 76 4.715 -1.612 5.422 1.00 0.85 O ATOM 2841 CB TYR B 76 3.636 -2.757 8.384 1.00 0.91 C ATOM 2842 CG TYR B 76 3.470 -3.903 7.400 1.00 1.10 C ATOM 2843 CD1 TYR B 76 4.594 -4.655 7.015 1.00 2.18 C ATOM 2844 CD2 TYR B 76 2.277 -4.016 6.660 1.00 2.20 C ATOM 2845 CE1 TYR B 76 4.526 -5.515 5.907 1.00 2.79 C ATOM 2846 CE2 TYR B 76 2.233 -4.818 5.507 1.00 2.88 C ATOM 2847 CZ TYR B 76 3.358 -5.573 5.133 1.00 2.79 C ATOM 2848 OH TYR B 76 3.323 -6.360 4.021 1.00 3.74 O ATOM 0 H TYR B 76 3.619 -0.560 9.458 1.00 0.95 H new ATOM 0 HA TYR B 76 5.435 -1.719 7.821 1.00 0.88 H new ATOM 0 HB2 TYR B 76 4.192 -3.111 9.252 1.00 0.91 H new ATOM 0 HB3 TYR B 76 2.653 -2.447 8.739 1.00 0.91 H new ATOM 0 HD1 TYR B 76 5.514 -4.571 7.574 1.00 2.18 H new ATOM 0 HD2 TYR B 76 1.393 -3.484 6.980 1.00 2.20 H new ATOM 0 HE1 TYR B 76 5.374 -6.132 5.651 1.00 2.79 H new ATOM 0 HE2 TYR B 76 1.335 -4.854 4.908 1.00 2.88 H new ATOM 0 HH TYR B 76 2.442 -6.289 3.598 1.00 3.74 H new ATOM 2858 N TRP B 77 2.711 -0.864 6.169 1.00 0.77 N ATOM 2859 CA TRP B 77 2.109 -0.621 4.878 1.00 0.72 C ATOM 2860 C TRP B 77 3.079 0.091 3.922 1.00 0.74 C ATOM 2861 O TRP B 77 3.084 -0.265 2.746 1.00 0.77 O ATOM 2862 CB TRP B 77 0.765 0.097 5.075 1.00 0.77 C ATOM 2863 CG TRP B 77 0.349 0.992 3.959 1.00 0.76 C ATOM 2864 CD1 TRP B 77 0.498 2.331 3.987 1.00 2.03 C ATOM 2865 CD2 TRP B 77 -0.126 0.671 2.616 1.00 1.79 C ATOM 2866 NE1 TRP B 77 0.133 2.873 2.785 1.00 1.99 N ATOM 2867 CE2 TRP B 77 -0.215 1.894 1.890 1.00 1.45 C ATOM 2868 CE3 TRP B 77 -0.479 -0.506 1.919 1.00 3.74 C ATOM 2869 CZ2 TRP B 77 -0.597 1.950 0.548 1.00 2.37 C ATOM 2870 CZ3 TRP B 77 -0.854 -0.454 0.560 1.00 4.70 C ATOM 2871 CH2 TRP B 77 -0.886 0.761 -0.126 1.00 3.99 C ATOM 0 H TRP B 77 2.096 -0.635 6.950 1.00 0.77 H new ATOM 0 HA TRP B 77 1.894 -1.568 4.382 1.00 0.72 H new ATOM 0 HB2 TRP B 77 -0.011 -0.654 5.224 1.00 0.77 H new ATOM 0 HB3 TRP B 77 0.818 0.686 5.990 1.00 0.77 H new ATOM 0 HD1 TRP B 77 0.854 2.895 4.836 1.00 2.03 H new ATOM 0 HE1 TRP B 77 0.121 3.872 2.582 1.00 1.99 H new ATOM 0 HE3 TRP B 77 -0.462 -1.456 2.432 1.00 3.74 H new ATOM 0 HZ2 TRP B 77 -0.668 2.899 0.038 1.00 2.37 H new ATOM 0 HZ3 TRP B 77 -1.119 -1.365 0.044 1.00 4.70 H new ATOM 0 HH2 TRP B 77 -1.134 0.782 -1.177 1.00 3.99 H new ATOM 2882 N ARG B 78 3.923 1.033 4.395 1.00 0.78 N ATOM 2883 CA ARG B 78 4.960 1.682 3.579 1.00 0.83 C ATOM 2884 C ARG B 78 5.633 0.675 2.656 1.00 0.83 C ATOM 2885 O ARG B 78 5.777 0.934 1.462 1.00 0.94 O ATOM 2886 CB ARG B 78 6.032 2.393 4.410 1.00 0.96 C ATOM 2887 CG ARG B 78 7.015 3.132 3.494 1.00 2.84 C ATOM 2888 CD ARG B 78 7.368 4.563 3.893 1.00 2.83 C ATOM 2889 NE ARG B 78 8.143 5.166 2.794 1.00 4.29 N ATOM 2890 CZ ARG B 78 7.659 5.889 1.774 1.00 5.27 C ATOM 2891 NH1 ARG B 78 6.367 6.216 1.686 1.00 5.38 N ATOM 2892 NH2 ARG B 78 8.477 6.244 0.786 1.00 6.80 N ATOM 0 H ARG B 78 3.900 1.363 5.360 1.00 0.78 H new ATOM 0 HA ARG B 78 4.440 2.441 2.994 1.00 0.83 H new ATOM 0 HB2 ARG B 78 5.562 3.099 5.094 1.00 0.96 H new ATOM 0 HB3 ARG B 78 6.569 1.667 5.020 1.00 0.96 H new ATOM 0 HG2 ARG B 78 7.937 2.553 3.445 1.00 2.84 H new ATOM 0 HG3 ARG B 78 6.596 3.151 2.488 1.00 2.84 H new ATOM 0 HD2 ARG B 78 6.463 5.140 4.082 1.00 2.83 H new ATOM 0 HD3 ARG B 78 7.948 4.569 4.816 1.00 2.83 H new ATOM 0 HE ARG B 78 9.152 5.018 2.811 1.00 4.29 H new ATOM 0 HH11 ARG B 78 5.714 5.914 2.409 1.00 5.38 H new ATOM 0 HH12 ARG B 78 6.033 6.768 0.896 1.00 5.38 H new ATOM 0 HH21 ARG B 78 9.458 5.966 0.811 1.00 6.80 H new ATOM 0 HH22 ARG B 78 8.123 6.794 0.003 1.00 6.80 H new ATOM 2906 N LEU B 79 6.014 -0.476 3.219 1.00 0.74 N ATOM 2907 CA LEU B 79 6.688 -1.537 2.499 1.00 0.68 C ATOM 2908 C LEU B 79 6.026 -1.773 1.151 1.00 0.72 C ATOM 2909 O LEU B 79 6.724 -1.831 0.149 1.00 0.74 O ATOM 2910 CB LEU B 79 6.679 -2.833 3.318 1.00 0.75 C ATOM 2911 CG LEU B 79 7.660 -3.876 2.762 1.00 0.78 C ATOM 2912 CD1 LEU B 79 9.107 -3.480 3.079 1.00 0.81 C ATOM 2913 CD2 LEU B 79 7.341 -5.250 3.363 1.00 0.86 C ATOM 0 H LEU B 79 5.856 -0.690 4.204 1.00 0.74 H new ATOM 0 HA LEU B 79 7.721 -1.231 2.334 1.00 0.68 H new ATOM 0 HB2 LEU B 79 6.937 -2.609 4.353 1.00 0.75 H new ATOM 0 HB3 LEU B 79 5.672 -3.250 3.324 1.00 0.75 H new ATOM 0 HG LEU B 79 7.551 -3.922 1.678 1.00 0.78 H new ATOM 0 HD11 LEU B 79 9.786 -4.232 2.677 1.00 0.81 H new ATOM 0 HD12 LEU B 79 9.327 -2.513 2.627 1.00 0.81 H new ATOM 0 HD13 LEU B 79 9.238 -3.414 4.159 1.00 0.81 H new ATOM 0 HD21 LEU B 79 8.037 -5.990 2.968 1.00 0.86 H new ATOM 0 HD22 LEU B 79 7.437 -5.204 4.448 1.00 0.86 H new ATOM 0 HD23 LEU B 79 6.322 -5.534 3.101 1.00 0.86 H new ATOM 2925 N ILE B 80 4.694 -1.869 1.114 1.00 0.80 N ATOM 2926 CA ILE B 80 3.952 -2.229 -0.091 1.00 0.89 C ATOM 2927 C ILE B 80 4.179 -1.163 -1.172 1.00 1.05 C ATOM 2928 O ILE B 80 4.259 -1.452 -2.367 1.00 1.14 O ATOM 2929 CB ILE B 80 2.470 -2.455 0.280 1.00 1.01 C ATOM 2930 CG1 ILE B 80 2.362 -3.758 1.097 1.00 1.19 C ATOM 2931 CG2 ILE B 80 1.603 -2.567 -0.984 1.00 1.60 C ATOM 2932 CD1 ILE B 80 1.077 -3.838 1.926 1.00 1.39 C ATOM 0 H ILE B 80 4.100 -1.698 1.925 1.00 0.80 H new ATOM 0 HA ILE B 80 4.310 -3.166 -0.517 1.00 0.89 H new ATOM 0 HB ILE B 80 2.113 -1.608 0.865 1.00 1.01 H new ATOM 0 HG12 ILE B 80 2.404 -4.610 0.419 1.00 1.19 H new ATOM 0 HG13 ILE B 80 3.222 -3.836 1.762 1.00 1.19 H new ATOM 0 HG21 ILE B 80 0.563 -2.726 -0.699 1.00 1.60 H new ATOM 0 HG22 ILE B 80 1.684 -1.647 -1.563 1.00 1.60 H new ATOM 0 HG23 ILE B 80 1.946 -3.407 -1.587 1.00 1.60 H new ATOM 0 HD11 ILE B 80 1.058 -4.777 2.479 1.00 1.39 H new ATOM 0 HD12 ILE B 80 1.044 -3.004 2.627 1.00 1.39 H new ATOM 0 HD13 ILE B 80 0.213 -3.790 1.263 1.00 1.39 H new ATOM 2944 N GLY B 81 4.322 0.084 -0.741 1.00 1.21 N ATOM 2945 CA GLY B 81 4.538 1.223 -1.607 1.00 1.47 C ATOM 2946 C GLY B 81 5.921 1.179 -2.151 1.00 1.28 C ATOM 2947 O GLY B 81 6.169 1.452 -3.322 1.00 1.45 O ATOM 0 H GLY B 81 4.289 0.332 0.248 1.00 1.21 H new ATOM 0 HA2 GLY B 81 3.815 1.215 -2.423 1.00 1.47 H new ATOM 0 HA3 GLY B 81 4.383 2.149 -1.053 1.00 1.47 H new ATOM 2951 N GLU B 82 6.825 0.851 -1.251 1.00 1.01 N ATOM 2952 CA GLU B 82 8.213 0.841 -1.557 1.00 0.89 C ATOM 2953 C GLU B 82 8.402 -0.292 -2.559 1.00 0.87 C ATOM 2954 O GLU B 82 8.851 0.009 -3.644 1.00 0.99 O ATOM 2955 CB GLU B 82 8.996 0.881 -0.247 1.00 0.79 C ATOM 2956 CG GLU B 82 8.508 2.133 0.539 1.00 1.06 C ATOM 2957 CD GLU B 82 9.243 3.422 0.178 1.00 1.81 C ATOM 2958 OE1 GLU B 82 9.047 3.918 -0.959 1.00 3.29 O ATOM 2959 OE2 GLU B 82 9.848 4.035 1.087 1.00 2.17 O ATOM 0 H GLU B 82 6.603 0.586 -0.291 1.00 1.01 H new ATOM 0 HA GLU B 82 8.629 1.710 -2.066 1.00 0.89 H new ATOM 0 HB2 GLU B 82 8.826 -0.027 0.331 1.00 0.79 H new ATOM 0 HB3 GLU B 82 10.067 0.941 -0.440 1.00 0.79 H new ATOM 0 HG2 GLU B 82 7.443 2.271 0.355 1.00 1.06 H new ATOM 0 HG3 GLU B 82 8.626 1.947 1.607 1.00 1.06 H new ATOM 2966 N LEU B 83 7.883 -1.505 -2.341 1.00 0.81 N ATOM 2967 CA LEU B 83 7.790 -2.542 -3.376 1.00 0.88 C ATOM 2968 C LEU B 83 7.318 -1.968 -4.722 1.00 0.87 C ATOM 2969 O LEU B 83 8.012 -2.077 -5.735 1.00 0.91 O ATOM 2970 CB LEU B 83 6.805 -3.653 -2.977 1.00 1.33 C ATOM 2971 CG LEU B 83 7.024 -4.410 -1.661 1.00 0.58 C ATOM 2972 CD1 LEU B 83 6.319 -5.768 -1.738 1.00 1.66 C ATOM 2973 CD2 LEU B 83 8.498 -4.533 -1.284 1.00 2.22 C ATOM 0 H LEU B 83 7.513 -1.797 -1.436 1.00 0.81 H new ATOM 0 HA LEU B 83 8.796 -2.948 -3.477 1.00 0.88 H new ATOM 0 HB2 LEU B 83 5.809 -3.211 -2.939 1.00 1.33 H new ATOM 0 HB3 LEU B 83 6.797 -4.389 -3.781 1.00 1.33 H new ATOM 0 HG LEU B 83 6.580 -3.830 -0.852 1.00 0.58 H new ATOM 0 HD11 LEU B 83 6.471 -6.311 -0.805 1.00 1.66 H new ATOM 0 HD12 LEU B 83 5.252 -5.615 -1.899 1.00 1.66 H new ATOM 0 HD13 LEU B 83 6.732 -6.346 -2.565 1.00 1.66 H new ATOM 0 HD21 LEU B 83 8.589 -5.078 -0.344 1.00 2.22 H new ATOM 0 HD22 LEU B 83 9.031 -5.071 -2.068 1.00 2.22 H new ATOM 0 HD23 LEU B 83 8.929 -3.538 -1.170 1.00 2.22 H new ATOM 2985 N ALA B 84 6.132 -1.345 -4.715 1.00 0.93 N ATOM 2986 CA ALA B 84 5.536 -0.729 -5.896 1.00 1.02 C ATOM 2987 C ALA B 84 6.443 0.338 -6.524 1.00 0.98 C ATOM 2988 O ALA B 84 6.311 0.635 -7.709 1.00 1.30 O ATOM 2989 CB ALA B 84 4.164 -0.153 -5.533 1.00 1.06 C ATOM 0 H ALA B 84 5.557 -1.257 -3.877 1.00 0.93 H new ATOM 0 HA ALA B 84 5.413 -1.502 -6.655 1.00 1.02 H new ATOM 0 HB1 ALA B 84 3.718 0.307 -6.415 1.00 1.06 H new ATOM 0 HB2 ALA B 84 3.517 -0.953 -5.175 1.00 1.06 H new ATOM 0 HB3 ALA B 84 4.280 0.597 -4.751 1.00 1.06 H new ATOM 2995 N LYS B 85 7.359 0.920 -5.746 1.00 0.87 N ATOM 2996 CA LYS B 85 8.412 1.793 -6.230 1.00 0.98 C ATOM 2997 C LYS B 85 9.572 0.970 -6.809 1.00 0.89 C ATOM 2998 O LYS B 85 9.942 1.194 -7.954 1.00 0.89 O ATOM 2999 CB LYS B 85 8.901 2.716 -5.097 1.00 1.41 C ATOM 3000 CG LYS B 85 8.828 4.196 -5.475 1.00 0.98 C ATOM 3001 CD LYS B 85 7.442 4.811 -5.282 1.00 2.03 C ATOM 3002 CE LYS B 85 6.923 4.876 -3.836 1.00 1.61 C ATOM 3003 NZ LYS B 85 7.903 5.312 -2.815 1.00 1.82 N ATOM 0 H LYS B 85 7.382 0.788 -4.735 1.00 0.87 H new ATOM 0 HA LYS B 85 8.011 2.416 -7.030 1.00 0.98 H new ATOM 0 HB2 LYS B 85 8.299 2.542 -4.205 1.00 1.41 H new ATOM 0 HB3 LYS B 85 9.929 2.460 -4.842 1.00 1.41 H new ATOM 0 HG2 LYS B 85 9.549 4.751 -4.875 1.00 0.98 H new ATOM 0 HG3 LYS B 85 9.125 4.311 -6.517 1.00 0.98 H new ATOM 0 HD2 LYS B 85 7.457 5.823 -5.686 1.00 2.03 H new ATOM 0 HD3 LYS B 85 6.728 4.241 -5.877 1.00 2.03 H new ATOM 0 HE2 LYS B 85 6.071 5.555 -3.807 1.00 1.61 H new ATOM 0 HE3 LYS B 85 6.554 3.889 -3.559 1.00 1.61 H new ATOM 0 HZ1 LYS B 85 7.469 6.032 -2.202 1.00 1.82 H new ATOM 0 HZ2 LYS B 85 8.191 4.495 -2.239 1.00 1.82 H new ATOM 0 HZ3 LYS B 85 8.738 5.716 -3.285 1.00 1.82 H new ATOM 3017 N GLU B 86 10.162 0.071 -6.014 1.00 0.90 N ATOM 3018 CA GLU B 86 11.410 -0.662 -6.221 1.00 0.95 C ATOM 3019 C GLU B 86 11.380 -1.471 -7.511 1.00 0.98 C ATOM 3020 O GLU B 86 12.418 -1.696 -8.124 1.00 1.23 O ATOM 3021 CB GLU B 86 11.699 -1.569 -5.013 1.00 0.89 C ATOM 3022 CG GLU B 86 11.801 -0.810 -3.676 1.00 0.92 C ATOM 3023 CD GLU B 86 13.136 -0.149 -3.389 1.00 1.67 C ATOM 3024 OE1 GLU B 86 13.903 0.151 -4.328 1.00 2.79 O ATOM 3025 OE2 GLU B 86 13.353 0.226 -2.215 1.00 2.35 O ATOM 0 H GLU B 86 9.734 -0.184 -5.124 1.00 0.90 H new ATOM 0 HA GLU B 86 12.216 0.066 -6.315 1.00 0.95 H new ATOM 0 HB2 GLU B 86 10.911 -2.318 -4.936 1.00 0.89 H new ATOM 0 HB3 GLU B 86 12.632 -2.105 -5.188 1.00 0.89 H new ATOM 0 HG2 GLU B 86 11.026 -0.044 -3.656 1.00 0.92 H new ATOM 0 HG3 GLU B 86 11.581 -1.507 -2.867 1.00 0.92 H new ATOM 3032 N ILE B 87 10.192 -1.892 -7.952 1.00 0.81 N ATOM 3033 CA ILE B 87 10.052 -2.446 -9.287 1.00 0.81 C ATOM 3034 C ILE B 87 10.706 -1.516 -10.335 1.00 0.98 C ATOM 3035 O ILE B 87 11.407 -1.983 -11.228 1.00 1.14 O ATOM 3036 CB ILE B 87 8.566 -2.775 -9.538 1.00 0.73 C ATOM 3037 CG1 ILE B 87 8.419 -3.746 -10.721 1.00 0.83 C ATOM 3038 CG2 ILE B 87 7.708 -1.522 -9.756 1.00 0.84 C ATOM 3039 CD1 ILE B 87 7.290 -4.733 -10.432 1.00 0.64 C ATOM 0 H ILE B 87 9.329 -1.858 -7.409 1.00 0.81 H new ATOM 0 HA ILE B 87 10.595 -3.386 -9.383 1.00 0.81 H new ATOM 0 HB ILE B 87 8.193 -3.256 -8.634 1.00 0.73 H new ATOM 0 HG12 ILE B 87 8.207 -3.192 -11.636 1.00 0.83 H new ATOM 0 HG13 ILE B 87 9.354 -4.283 -10.883 1.00 0.83 H new ATOM 0 HG21 ILE B 87 6.672 -1.816 -9.928 1.00 0.84 H new ATOM 0 HG22 ILE B 87 7.763 -0.885 -8.873 1.00 0.84 H new ATOM 0 HG23 ILE B 87 8.078 -0.974 -10.622 1.00 0.84 H new ATOM 0 HD11 ILE B 87 7.185 -5.422 -11.270 1.00 0.64 H new ATOM 0 HD12 ILE B 87 7.521 -5.295 -9.527 1.00 0.64 H new ATOM 0 HD13 ILE B 87 6.357 -4.187 -10.292 1.00 0.64 H new ATOM 3051 N ARG B 88 10.473 -0.200 -10.226 1.00 1.07 N ATOM 3052 CA ARG B 88 11.185 0.853 -10.947 1.00 1.40 C ATOM 3053 C ARG B 88 12.490 1.304 -10.256 1.00 1.49 C ATOM 3054 O ARG B 88 13.561 1.256 -10.858 1.00 2.01 O ATOM 3055 CB ARG B 88 10.219 2.025 -11.183 1.00 1.56 C ATOM 3056 CG ARG B 88 10.790 3.048 -12.170 1.00 2.44 C ATOM 3057 CD ARG B 88 9.754 4.148 -12.440 1.00 1.97 C ATOM 3058 NE ARG B 88 10.224 5.108 -13.452 1.00 2.29 N ATOM 3059 CZ ARG B 88 10.209 4.905 -14.782 1.00 2.95 C ATOM 3060 NH1 ARG B 88 9.778 3.740 -15.274 1.00 3.86 N ATOM 3061 NH2 ARG B 88 10.629 5.870 -15.609 1.00 3.50 N ATOM 0 H ARG B 88 9.752 0.170 -9.606 1.00 1.07 H new ATOM 0 HA ARG B 88 11.514 0.447 -11.904 1.00 1.40 H new ATOM 0 HB2 ARG B 88 9.272 1.643 -11.564 1.00 1.56 H new ATOM 0 HB3 ARG B 88 10.006 2.516 -10.234 1.00 1.56 H new ATOM 0 HG2 ARG B 88 11.702 3.487 -11.765 1.00 2.44 H new ATOM 0 HG3 ARG B 88 11.061 2.554 -13.103 1.00 2.44 H new ATOM 0 HD2 ARG B 88 8.822 3.694 -12.776 1.00 1.97 H new ATOM 0 HD3 ARG B 88 9.535 4.676 -11.512 1.00 1.97 H new ATOM 0 HE ARG B 88 10.591 5.999 -13.118 1.00 2.29 H new ATOM 0 HH11 ARG B 88 9.461 3.005 -14.641 1.00 3.86 H new ATOM 0 HH12 ARG B 88 9.766 3.585 -16.282 1.00 3.86 H new ATOM 0 HH21 ARG B 88 10.960 6.758 -15.231 1.00 3.50 H new ATOM 0 HH22 ARG B 88 10.618 5.718 -16.618 1.00 3.50 H new ATOM 3075 N LYS B 89 12.381 1.838 -9.030 1.00 1.13 N ATOM 3076 CA LYS B 89 13.467 2.443 -8.263 1.00 1.39 C ATOM 3077 C LYS B 89 14.628 1.457 -8.085 1.00 1.52 C ATOM 3078 O LYS B 89 14.421 0.343 -7.622 1.00 1.92 O ATOM 3079 CB LYS B 89 12.895 2.908 -6.905 1.00 1.65 C ATOM 3080 CG LYS B 89 13.954 3.155 -5.823 1.00 3.10 C ATOM 3081 CD LYS B 89 13.304 3.446 -4.464 1.00 3.70 C ATOM 3082 CE LYS B 89 14.355 3.474 -3.341 1.00 5.44 C ATOM 3083 NZ LYS B 89 14.892 2.130 -3.034 1.00 7.14 N ATOM 0 H LYS B 89 11.493 1.858 -8.529 1.00 1.13 H new ATOM 0 HA LYS B 89 13.872 3.302 -8.797 1.00 1.39 H new ATOM 0 HB2 LYS B 89 12.329 3.827 -7.058 1.00 1.65 H new ATOM 0 HB3 LYS B 89 12.192 2.157 -6.544 1.00 1.65 H new ATOM 0 HG2 LYS B 89 14.602 2.283 -5.739 1.00 3.10 H new ATOM 0 HG3 LYS B 89 14.585 3.994 -6.114 1.00 3.10 H new ATOM 0 HD2 LYS B 89 12.784 4.403 -4.504 1.00 3.70 H new ATOM 0 HD3 LYS B 89 12.554 2.685 -4.246 1.00 3.70 H new ATOM 0 HE2 LYS B 89 15.174 4.132 -3.631 1.00 5.44 H new ATOM 0 HE3 LYS B 89 13.909 3.898 -2.441 1.00 5.44 H new ATOM 0 HZ1 LYS B 89 15.893 2.210 -2.762 1.00 7.14 H new ATOM 0 HZ2 LYS B 89 14.352 1.711 -2.250 1.00 7.14 H new ATOM 0 HZ3 LYS B 89 14.809 1.523 -3.874 1.00 7.14 H new