USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= -0.98 K(o=-3.2,f=-3.7) USER MOD Set 1.2: A 137 ASN : amide:sc= -2.19! C(o=-3.2!,f=-9.2!) USER MOD Set 2.1: A 75 LYS NZ :NH3+ 164:sc= -0.595 (180deg=-1.29) USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 36 MET CE :methyl 179:sc= -3.33! (180deg=-3.04!) USER MOD Set 3.2: A 41 GLN :FLIP amide:sc= -1.13 F(o=-6.6!,f=-4.5) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0244) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc=0.000501 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.884 USER MOD Single : A 28 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= -3.04! USER MOD Single : A 30 LYS NZ :NH3+ -108:sc= -1.57! (180deg=-3.91!) USER MOD Single : A 34 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 38 SER OG : rot -80:sc= 1.25 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -129:sc= -1.92! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -175:sc= -0.154 (180deg=-0.215) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 60 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -15:sc= -1.38! USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -149:sc= -0.0225 (180deg=-1.68) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 11:sc= 1.06 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 109 MET CE :methyl -135:sc= -0.621 (180deg=-2.23) USER MOD Single : A 110 THR OG1 : rot -24:sc= 0.997 USER MOD Single : A 111 ASN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -144:sc= -0.0313 (180deg=-0.329) USER MOD Single : A 145 MET CE :methyl -124:sc= -1.66 (180deg=-6.18!) USER MOD Single : A 146 THR OG1 : rot -57:sc= -1.32! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 505 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -70:sc= -0.901! USER MOD Single : B 527 MET CE :methyl 167:sc= -0.61 (180deg=-1.82) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.460 -18.203 6.552 1.00 7.80 N ATOM 2 CA ALA A 1 -4.780 -16.757 6.681 1.00 7.39 C ATOM 3 C ALA A 1 -3.509 -15.907 6.724 1.00 6.58 C ATOM 4 O ALA A 1 -3.447 -14.846 6.096 1.00 6.72 O ATOM 5 CB ALA A 1 -5.625 -16.513 7.924 1.00 7.99 C ATOM 0 H1 ALA A 1 -5.338 -18.741 6.406 1.00 7.80 H new ATOM 0 H2 ALA A 1 -3.827 -18.347 5.740 1.00 7.80 H new ATOM 0 H3 ALA A 1 -3.991 -18.534 7.420 1.00 7.80 H new ATOM 0 HA ALA A 1 -5.350 -16.459 5.801 1.00 7.39 H new ATOM 0 HB1 ALA A 1 -5.852 -15.450 8.007 1.00 7.99 H new ATOM 0 HB2 ALA A 1 -6.554 -17.078 7.849 1.00 7.99 H new ATOM 0 HB3 ALA A 1 -5.074 -16.836 8.807 1.00 7.99 H new ATOM 13 N ASP A 2 -2.502 -16.382 7.469 1.00 6.04 N ATOM 14 CA ASP A 2 -1.227 -15.676 7.603 1.00 5.55 C ATOM 15 C ASP A 2 -0.056 -16.610 7.314 1.00 4.87 C ATOM 16 O ASP A 2 -0.048 -17.761 7.761 1.00 5.13 O ATOM 17 CB ASP A 2 -1.085 -15.084 9.010 1.00 5.87 C ATOM 18 CG ASP A 2 -2.032 -13.924 9.255 1.00 6.52 C ATOM 19 OD1 ASP A 2 -3.164 -14.171 9.722 1.00 7.04 O ATOM 20 OD2 ASP A 2 -1.642 -12.770 8.979 1.00 6.78 O ATOM 0 H ASP A 2 -2.550 -17.258 7.990 1.00 6.04 H new ATOM 0 HA ASP A 2 -1.215 -14.865 6.874 1.00 5.55 H new ATOM 0 HB2 ASP A 2 -1.273 -15.863 9.748 1.00 5.87 H new ATOM 0 HB3 ASP A 2 -0.059 -14.747 9.156 1.00 5.87 H new ATOM 25 N GLN A 3 0.926 -16.101 6.564 1.00 4.34 N ATOM 26 CA GLN A 3 2.115 -16.877 6.202 1.00 3.83 C ATOM 27 C GLN A 3 3.380 -16.267 6.810 1.00 2.55 C ATOM 28 O GLN A 3 4.209 -16.987 7.374 1.00 2.57 O ATOM 29 CB GLN A 3 2.255 -16.972 4.676 1.00 4.64 C ATOM 30 CG GLN A 3 1.245 -17.904 4.022 1.00 5.89 C ATOM 31 CD GLN A 3 1.410 -17.977 2.517 1.00 6.86 C ATOM 32 OE1 GLN A 3 0.808 -17.199 1.776 1.00 7.41 O ATOM 33 NE2 GLN A 3 2.228 -18.916 2.056 1.00 7.35 N ATOM 0 H GLN A 3 0.920 -15.150 6.194 1.00 4.34 H new ATOM 0 HA GLN A 3 1.992 -17.881 6.607 1.00 3.83 H new ATOM 0 HB2 GLN A 3 2.146 -15.976 4.248 1.00 4.64 H new ATOM 0 HB3 GLN A 3 3.261 -17.314 4.434 1.00 4.64 H new ATOM 0 HG2 GLN A 3 1.351 -18.903 4.445 1.00 5.89 H new ATOM 0 HG3 GLN A 3 0.237 -17.564 4.257 1.00 5.89 H new ATOM 0 HE21 GLN A 3 2.707 -19.539 2.706 1.00 7.35 H new ATOM 0 HE22 GLN A 3 2.378 -19.014 1.052 1.00 7.35 H new ATOM 42 N LEU A 4 3.517 -14.939 6.690 1.00 2.09 N ATOM 43 CA LEU A 4 4.676 -14.223 7.227 1.00 1.43 C ATOM 44 C LEU A 4 4.322 -13.491 8.522 1.00 1.51 C ATOM 45 O LEU A 4 3.219 -13.668 9.051 1.00 1.86 O ATOM 46 CB LEU A 4 5.231 -13.252 6.170 1.00 2.32 C ATOM 47 CG LEU A 4 5.977 -13.910 5.001 1.00 2.86 C ATOM 48 CD1 LEU A 4 5.842 -13.070 3.741 1.00 3.65 C ATOM 49 CD2 LEU A 4 7.449 -14.112 5.344 1.00 3.75 C ATOM 0 H LEU A 4 2.836 -14.340 6.224 1.00 2.09 H new ATOM 0 HA LEU A 4 5.451 -14.950 7.469 1.00 1.43 H new ATOM 0 HB2 LEU A 4 4.404 -12.667 5.768 1.00 2.32 H new ATOM 0 HB3 LEU A 4 5.906 -12.552 6.662 1.00 2.32 H new ATOM 0 HG LEU A 4 5.528 -14.886 4.820 1.00 2.86 H new ATOM 0 HD11 LEU A 4 6.377 -13.552 2.923 1.00 3.65 H new ATOM 0 HD12 LEU A 4 4.788 -12.974 3.479 1.00 3.65 H new ATOM 0 HD13 LEU A 4 6.263 -12.080 3.917 1.00 3.65 H new ATOM 0 HD21 LEU A 4 7.958 -14.580 4.501 1.00 3.75 H new ATOM 0 HD22 LEU A 4 7.909 -13.147 5.556 1.00 3.75 H new ATOM 0 HD23 LEU A 4 7.534 -14.754 6.221 1.00 3.75 H new ATOM 61 N THR A 5 5.258 -12.671 9.041 1.00 1.73 N ATOM 62 CA THR A 5 5.015 -11.898 10.265 1.00 2.05 C ATOM 63 C THR A 5 3.925 -10.856 10.009 1.00 1.66 C ATOM 64 O THR A 5 3.845 -10.299 8.914 1.00 1.15 O ATOM 65 CB THR A 5 6.289 -11.202 10.797 1.00 2.63 C ATOM 66 OG1 THR A 5 7.465 -11.789 10.222 1.00 3.14 O ATOM 67 CG2 THR A 5 6.367 -11.304 12.314 1.00 3.26 C ATOM 0 H THR A 5 6.182 -12.531 8.631 1.00 1.73 H new ATOM 0 HA THR A 5 4.692 -12.603 11.031 1.00 2.05 H new ATOM 0 HB THR A 5 6.236 -10.151 10.512 1.00 2.63 H new ATOM 0 HG1 THR A 5 8.261 -11.334 10.569 1.00 3.14 H new ATOM 0 HG21 THR A 5 7.271 -10.808 12.666 1.00 3.26 H new ATOM 0 HG22 THR A 5 5.494 -10.824 12.756 1.00 3.26 H new ATOM 0 HG23 THR A 5 6.392 -12.354 12.607 1.00 3.26 H new ATOM 75 N GLU A 6 3.138 -10.575 11.049 1.00 2.22 N ATOM 76 CA GLU A 6 1.975 -9.660 11.000 1.00 2.15 C ATOM 77 C GLU A 6 2.157 -8.396 10.146 1.00 1.73 C ATOM 78 O GLU A 6 1.297 -8.101 9.312 1.00 1.38 O ATOM 79 CB GLU A 6 1.621 -9.243 12.424 1.00 2.80 C ATOM 80 CG GLU A 6 0.875 -10.308 13.215 1.00 3.25 C ATOM 81 CD GLU A 6 0.541 -9.860 14.624 1.00 3.82 C ATOM 82 OE1 GLU A 6 -0.549 -9.283 14.821 1.00 4.39 O ATOM 83 OE2 GLU A 6 1.369 -10.088 15.532 1.00 4.09 O ATOM 0 H GLU A 6 3.287 -10.981 11.973 1.00 2.22 H new ATOM 0 HA GLU A 6 1.180 -10.226 10.514 1.00 2.15 H new ATOM 0 HB2 GLU A 6 2.538 -8.987 12.955 1.00 2.80 H new ATOM 0 HB3 GLU A 6 1.012 -8.340 12.386 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.046 -10.566 12.692 1.00 3.25 H new ATOM 0 HG3 GLU A 6 1.481 -11.213 13.259 1.00 3.25 H new ATOM 90 N GLU A 7 3.255 -7.659 10.345 1.00 1.90 N ATOM 91 CA GLU A 7 3.486 -6.427 9.596 1.00 1.65 C ATOM 92 C GLU A 7 4.170 -6.660 8.256 1.00 1.44 C ATOM 93 O GLU A 7 4.128 -5.791 7.381 1.00 1.23 O ATOM 94 CB GLU A 7 4.276 -5.413 10.430 1.00 2.06 C ATOM 95 CG GLU A 7 3.476 -4.794 11.567 1.00 2.28 C ATOM 96 CD GLU A 7 4.283 -3.793 12.371 1.00 2.65 C ATOM 97 OE1 GLU A 7 4.269 -2.596 12.015 1.00 3.11 O ATOM 98 OE2 GLU A 7 4.929 -4.207 13.357 1.00 2.91 O ATOM 0 H GLU A 7 3.989 -7.894 11.013 1.00 1.90 H new ATOM 0 HA GLU A 7 2.499 -6.017 9.379 1.00 1.65 H new ATOM 0 HB2 GLU A 7 5.156 -5.905 10.844 1.00 2.06 H new ATOM 0 HB3 GLU A 7 4.633 -4.618 9.775 1.00 2.06 H new ATOM 0 HG2 GLU A 7 2.594 -4.300 11.159 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.121 -5.584 12.229 1.00 2.28 H new ATOM 105 N GLN A 8 4.791 -7.827 8.099 1.00 1.67 N ATOM 106 CA GLN A 8 5.460 -8.189 6.847 1.00 1.66 C ATOM 107 C GLN A 8 4.402 -8.514 5.787 1.00 1.23 C ATOM 108 O GLN A 8 4.481 -8.050 4.647 1.00 1.28 O ATOM 109 CB GLN A 8 6.401 -9.385 7.070 1.00 1.98 C ATOM 110 CG GLN A 8 7.342 -9.213 8.260 1.00 2.48 C ATOM 111 CD GLN A 8 8.603 -8.442 7.911 1.00 2.88 C ATOM 112 OE1 GLN A 8 9.611 -9.025 7.514 1.00 3.21 O ATOM 113 NE2 GLN A 8 8.550 -7.123 8.059 1.00 3.41 N ATOM 0 H GLN A 8 4.846 -8.542 8.825 1.00 1.67 H new ATOM 0 HA GLN A 8 6.064 -7.351 6.499 1.00 1.66 H new ATOM 0 HB2 GLN A 8 5.803 -10.284 7.218 1.00 1.98 H new ATOM 0 HB3 GLN A 8 6.994 -9.542 6.169 1.00 1.98 H new ATOM 0 HG2 GLN A 8 6.815 -8.694 9.061 1.00 2.48 H new ATOM 0 HG3 GLN A 8 7.618 -10.195 8.644 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.693 -6.681 8.391 1.00 3.41 H new ATOM 0 HE22 GLN A 8 9.366 -6.552 7.840 1.00 3.41 H new ATOM 122 N ILE A 9 3.417 -9.323 6.199 1.00 0.97 N ATOM 123 CA ILE A 9 2.289 -9.711 5.340 1.00 0.68 C ATOM 124 C ILE A 9 1.131 -8.716 5.453 1.00 0.57 C ATOM 125 O ILE A 9 0.176 -8.785 4.673 1.00 0.67 O ATOM 126 CB ILE A 9 1.769 -11.160 5.575 1.00 0.76 C ATOM 127 CG1 ILE A 9 2.195 -11.706 6.924 1.00 1.22 C ATOM 128 CG2 ILE A 9 2.220 -12.091 4.457 1.00 1.14 C ATOM 129 CD1 ILE A 9 1.206 -11.348 7.988 1.00 2.46 C ATOM 0 H ILE A 9 3.379 -9.726 7.135 1.00 0.97 H new ATOM 0 HA ILE A 9 2.693 -9.690 4.328 1.00 0.68 H new ATOM 0 HB ILE A 9 0.680 -11.111 5.569 1.00 0.76 H new ATOM 0 HG12 ILE A 9 2.295 -12.790 6.866 1.00 1.22 H new ATOM 0 HG13 ILE A 9 3.176 -11.309 7.187 1.00 1.22 H new ATOM 0 HG21 ILE A 9 1.843 -13.096 4.646 1.00 1.14 H new ATOM 0 HG22 ILE A 9 1.831 -11.731 3.505 1.00 1.14 H new ATOM 0 HG23 ILE A 9 3.309 -12.113 4.419 1.00 1.14 H new ATOM 0 HD11 ILE A 9 1.538 -11.753 8.944 1.00 2.46 H new ATOM 0 HD12 ILE A 9 1.127 -10.263 8.061 1.00 2.46 H new ATOM 0 HD13 ILE A 9 0.232 -11.767 7.735 1.00 2.46 H new ATOM 141 N ALA A 10 1.223 -7.793 6.437 1.00 0.59 N ATOM 142 CA ALA A 10 0.194 -6.748 6.676 1.00 0.64 C ATOM 143 C ALA A 10 -0.293 -6.022 5.423 1.00 0.58 C ATOM 144 O ALA A 10 -1.463 -5.636 5.350 1.00 0.70 O ATOM 145 CB ALA A 10 0.742 -5.672 7.583 1.00 0.80 C ATOM 0 H ALA A 10 2.008 -7.749 7.087 1.00 0.59 H new ATOM 0 HA ALA A 10 -0.642 -7.298 7.108 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -0.022 -4.913 7.750 1.00 0.80 H new ATOM 0 HB2 ALA A 10 1.030 -6.113 8.537 1.00 0.80 H new ATOM 0 HB3 ALA A 10 1.614 -5.213 7.117 1.00 0.80 H new ATOM 151 N GLU A 11 0.596 -5.859 4.434 1.00 0.50 N ATOM 152 CA GLU A 11 0.272 -5.099 3.228 1.00 0.51 C ATOM 153 C GLU A 11 -0.715 -5.875 2.376 1.00 0.49 C ATOM 154 O GLU A 11 -1.785 -5.367 2.059 1.00 0.50 O ATOM 155 CB GLU A 11 1.538 -4.745 2.418 1.00 0.59 C ATOM 156 CG GLU A 11 1.280 -3.827 1.212 1.00 0.64 C ATOM 157 CD GLU A 11 0.998 -4.599 -0.065 1.00 0.88 C ATOM 158 OE1 GLU A 11 -0.191 -4.805 -0.384 1.00 1.48 O ATOM 159 OE2 GLU A 11 1.968 -4.996 -0.745 1.00 1.48 O ATOM 0 H GLU A 11 1.541 -6.243 4.449 1.00 0.50 H new ATOM 0 HA GLU A 11 -0.186 -4.159 3.534 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.256 -4.262 3.081 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.000 -5.667 2.066 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.434 -3.175 1.432 1.00 0.64 H new ATOM 0 HG3 GLU A 11 2.147 -3.184 1.059 1.00 0.64 H new ATOM 166 N PHE A 12 -0.349 -7.119 2.028 1.00 0.52 N ATOM 167 CA PHE A 12 -1.212 -7.978 1.225 1.00 0.53 C ATOM 168 C PHE A 12 -2.510 -8.262 1.975 1.00 0.49 C ATOM 169 O PHE A 12 -3.542 -8.507 1.351 1.00 0.54 O ATOM 170 CB PHE A 12 -0.468 -9.276 0.821 1.00 0.63 C ATOM 171 CG PHE A 12 -0.983 -10.547 1.456 1.00 1.22 C ATOM 172 CD1 PHE A 12 -1.889 -11.352 0.784 1.00 2.05 C ATOM 173 CD2 PHE A 12 -0.566 -10.926 2.721 1.00 2.14 C ATOM 174 CE1 PHE A 12 -2.367 -12.512 1.363 1.00 3.03 C ATOM 175 CE2 PHE A 12 -1.041 -12.086 3.304 1.00 3.14 C ATOM 176 CZ PHE A 12 -1.942 -12.880 2.623 1.00 3.44 C ATOM 0 H PHE A 12 0.539 -7.545 2.293 1.00 0.52 H new ATOM 0 HA PHE A 12 -1.474 -7.463 0.300 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -0.524 -9.384 -0.262 1.00 0.63 H new ATOM 0 HB3 PHE A 12 0.586 -9.164 1.076 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -2.225 -11.070 -0.203 1.00 2.05 H new ATOM 0 HD2 PHE A 12 0.138 -10.308 3.258 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -3.073 -13.131 0.829 1.00 3.03 H new ATOM 0 HE2 PHE A 12 -0.708 -12.371 4.291 1.00 3.14 H new ATOM 0 HZ PHE A 12 -2.313 -13.787 3.076 1.00 3.44 H new ATOM 186 N LYS A 13 -2.443 -8.226 3.321 1.00 0.47 N ATOM 187 CA LYS A 13 -3.613 -8.432 4.152 1.00 0.48 C ATOM 188 C LYS A 13 -4.617 -7.334 3.998 1.00 0.48 C ATOM 189 O LYS A 13 -5.793 -7.574 3.723 1.00 0.52 O ATOM 190 CB LYS A 13 -3.256 -8.466 5.634 1.00 0.51 C ATOM 191 CG LYS A 13 -4.318 -9.151 6.463 1.00 0.57 C ATOM 192 CD LYS A 13 -4.419 -10.612 6.064 1.00 0.60 C ATOM 193 CE LYS A 13 -5.837 -11.143 6.206 1.00 0.66 C ATOM 194 NZ LYS A 13 -5.925 -12.589 5.866 1.00 1.21 N ATOM 0 H LYS A 13 -1.583 -8.055 3.842 1.00 0.47 H new ATOM 0 HA LYS A 13 -4.026 -9.385 3.822 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -2.306 -8.984 5.765 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -3.117 -7.447 5.996 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -4.074 -9.070 7.522 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -5.279 -8.658 6.319 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.089 -10.730 5.032 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.746 -11.205 6.683 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -6.182 -10.989 7.229 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -6.504 -10.576 5.556 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -6.677 -13.033 6.430 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -6.142 -12.695 4.855 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -5.017 -13.051 6.075 1.00 1.21 H new ATOM 208 N GLU A 14 -4.147 -6.133 4.231 1.00 0.47 N ATOM 209 CA GLU A 14 -5.003 -5.002 4.165 1.00 0.49 C ATOM 210 C GLU A 14 -5.341 -4.680 2.726 1.00 0.49 C ATOM 211 O GLU A 14 -6.396 -4.113 2.431 1.00 0.54 O ATOM 212 CB GLU A 14 -4.373 -3.804 4.856 1.00 0.50 C ATOM 213 CG GLU A 14 -4.902 -3.568 6.264 1.00 0.52 C ATOM 214 CD GLU A 14 -6.202 -2.782 6.286 1.00 1.25 C ATOM 215 OE1 GLU A 14 -7.278 -3.413 6.243 1.00 1.99 O ATOM 216 OE2 GLU A 14 -6.141 -1.536 6.346 1.00 1.95 O ATOM 0 H GLU A 14 -3.176 -5.926 4.467 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.928 -5.240 4.689 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -3.293 -3.947 4.901 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -4.552 -2.912 4.255 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -5.057 -4.529 6.754 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -4.150 -3.032 6.844 1.00 0.52 H new ATOM 223 N ALA A 15 -4.417 -5.062 1.839 1.00 0.46 N ATOM 224 CA ALA A 15 -4.599 -4.885 0.416 1.00 0.48 C ATOM 225 C ALA A 15 -5.401 -6.046 -0.161 1.00 0.50 C ATOM 226 O ALA A 15 -5.637 -6.147 -1.370 1.00 0.55 O ATOM 227 CB ALA A 15 -3.273 -4.714 -0.311 1.00 0.50 C ATOM 0 H ALA A 15 -3.532 -5.499 2.096 1.00 0.46 H new ATOM 0 HA ALA A 15 -5.161 -3.964 0.263 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -3.457 -4.584 -1.377 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -2.756 -3.837 0.078 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -2.656 -5.598 -0.154 1.00 0.50 H new ATOM 233 N PHE A 16 -5.818 -6.900 0.763 1.00 0.49 N ATOM 234 CA PHE A 16 -6.625 -8.082 0.470 1.00 0.53 C ATOM 235 C PHE A 16 -8.098 -7.680 0.442 1.00 0.57 C ATOM 236 O PHE A 16 -8.801 -7.982 -0.520 1.00 0.60 O ATOM 237 CB PHE A 16 -6.386 -9.209 1.504 1.00 0.55 C ATOM 238 CG PHE A 16 -6.813 -10.574 1.031 1.00 0.56 C ATOM 239 CD1 PHE A 16 -8.090 -11.043 1.294 1.00 1.27 C ATOM 240 CD2 PHE A 16 -5.938 -11.384 0.325 1.00 1.27 C ATOM 241 CE1 PHE A 16 -8.487 -12.294 0.862 1.00 1.31 C ATOM 242 CE2 PHE A 16 -6.329 -12.636 -0.109 1.00 1.27 C ATOM 243 CZ PHE A 16 -7.605 -13.092 0.159 1.00 0.62 C ATOM 0 H PHE A 16 -5.603 -6.792 1.754 1.00 0.49 H new ATOM 0 HA PHE A 16 -6.330 -8.476 -0.503 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.326 -9.238 1.756 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -6.925 -8.968 2.420 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -8.783 -10.423 1.843 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -4.939 -11.033 0.112 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -9.485 -12.648 1.074 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -5.637 -13.258 -0.658 1.00 1.27 H new ATOM 0 HZ PHE A 16 -7.913 -14.070 -0.180 1.00 0.62 H new ATOM 253 N SER A 17 -8.550 -6.978 1.503 1.00 0.61 N ATOM 254 CA SER A 17 -9.944 -6.525 1.588 1.00 0.67 C ATOM 255 C SER A 17 -10.157 -5.187 0.866 1.00 0.74 C ATOM 256 O SER A 17 -11.289 -4.823 0.536 1.00 0.78 O ATOM 257 CB SER A 17 -10.391 -6.421 3.048 1.00 0.74 C ATOM 258 OG SER A 17 -9.517 -5.591 3.795 1.00 1.41 O ATOM 0 H SER A 17 -7.972 -6.718 2.302 1.00 0.61 H new ATOM 0 HA SER A 17 -10.558 -7.272 1.084 1.00 0.67 H new ATOM 0 HB2 SER A 17 -11.404 -6.021 3.093 1.00 0.74 H new ATOM 0 HB3 SER A 17 -10.421 -7.415 3.493 1.00 0.74 H new ATOM 0 HG SER A 17 -9.827 -5.541 4.723 1.00 1.41 H new ATOM 264 N LEU A 18 -9.050 -4.471 0.633 1.00 0.79 N ATOM 265 CA LEU A 18 -9.057 -3.174 -0.069 1.00 0.91 C ATOM 266 C LEU A 18 -9.209 -3.414 -1.587 1.00 0.81 C ATOM 267 O LEU A 18 -9.520 -2.500 -2.354 1.00 0.79 O ATOM 268 CB LEU A 18 -7.772 -2.372 0.371 1.00 1.26 C ATOM 269 CG LEU A 18 -6.794 -1.716 -0.660 1.00 0.69 C ATOM 270 CD1 LEU A 18 -6.192 -2.714 -1.631 1.00 1.59 C ATOM 271 CD2 LEU A 18 -7.425 -0.561 -1.416 1.00 0.83 C ATOM 0 H LEU A 18 -8.120 -4.772 0.925 1.00 0.79 H new ATOM 0 HA LEU A 18 -9.910 -2.551 0.201 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -8.114 -1.572 1.028 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.174 -3.051 0.979 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.981 -1.317 -0.054 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -5.524 -2.195 -2.318 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.630 -3.467 -1.078 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -6.989 -3.198 -2.196 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -6.700 -0.145 -2.116 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -8.296 -0.918 -1.965 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.732 0.211 -0.711 1.00 0.83 H new ATOM 283 N PHE A 19 -8.998 -4.678 -1.973 1.00 0.84 N ATOM 284 CA PHE A 19 -9.110 -5.141 -3.354 1.00 0.86 C ATOM 285 C PHE A 19 -10.334 -6.031 -3.534 1.00 0.75 C ATOM 286 O PHE A 19 -11.019 -5.979 -4.557 1.00 0.79 O ATOM 287 CB PHE A 19 -7.907 -6.004 -3.704 1.00 1.02 C ATOM 288 CG PHE A 19 -7.009 -5.439 -4.763 1.00 0.85 C ATOM 289 CD1 PHE A 19 -5.930 -4.646 -4.418 1.00 1.41 C ATOM 290 CD2 PHE A 19 -7.236 -5.710 -6.099 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.093 -4.132 -5.385 1.00 1.60 C ATOM 292 CE2 PHE A 19 -6.402 -5.200 -7.074 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.327 -4.410 -6.716 1.00 1.28 C ATOM 0 H PHE A 19 -8.740 -5.418 -1.320 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.178 -4.256 -3.987 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -7.320 -6.167 -2.800 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.263 -6.980 -4.033 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -5.741 -4.427 -3.378 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -8.075 -6.328 -6.384 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.255 -3.512 -5.101 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -6.590 -5.418 -8.115 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.671 -4.011 -7.476 1.00 1.28 H new ATOM 303 N ASP A 20 -10.589 -6.859 -2.516 1.00 0.68 N ATOM 304 CA ASP A 20 -11.663 -7.836 -2.551 1.00 0.63 C ATOM 305 C ASP A 20 -13.066 -7.225 -2.294 1.00 0.66 C ATOM 306 O ASP A 20 -13.456 -6.983 -1.146 1.00 0.74 O ATOM 307 CB ASP A 20 -11.299 -9.023 -1.597 1.00 0.60 C ATOM 308 CG ASP A 20 -12.122 -9.138 -0.314 1.00 1.67 C ATOM 309 OD1 ASP A 20 -11.559 -8.895 0.773 1.00 2.45 O ATOM 310 OD2 ASP A 20 -13.321 -9.472 -0.398 1.00 2.31 O ATOM 0 H ASP A 20 -10.053 -6.865 -1.648 1.00 0.68 H new ATOM 0 HA ASP A 20 -11.749 -8.227 -3.565 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.403 -9.954 -2.154 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.248 -8.931 -1.322 1.00 0.60 H new ATOM 315 N LYS A 21 -13.790 -6.908 -3.386 1.00 0.73 N ATOM 316 CA LYS A 21 -15.170 -6.396 -3.282 1.00 0.80 C ATOM 317 C LYS A 21 -16.108 -7.576 -3.148 1.00 0.82 C ATOM 318 O LYS A 21 -16.912 -7.670 -2.216 1.00 0.91 O ATOM 319 CB LYS A 21 -15.583 -5.602 -4.508 1.00 1.01 C ATOM 320 CG LYS A 21 -15.033 -4.206 -4.549 1.00 0.97 C ATOM 321 CD LYS A 21 -13.906 -4.147 -5.538 1.00 0.95 C ATOM 322 CE LYS A 21 -13.926 -2.839 -6.319 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.871 -2.887 -7.468 1.00 1.63 N ATOM 0 H LYS A 21 -13.445 -6.997 -4.342 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.217 -5.735 -2.417 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.256 -6.136 -5.400 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.671 -5.553 -4.546 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.816 -3.502 -4.830 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.680 -3.912 -3.560 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -12.955 -4.247 -5.016 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -13.980 -4.987 -6.229 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -14.208 -2.024 -5.653 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.923 -2.620 -6.684 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -14.852 -1.977 -7.971 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -14.588 -3.648 -8.118 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -15.833 -3.070 -7.119 1.00 1.63 H new ATOM 337 N ASP A 22 -15.966 -8.469 -4.126 1.00 0.85 N ATOM 338 CA ASP A 22 -16.718 -9.728 -4.182 1.00 0.97 C ATOM 339 C ASP A 22 -16.108 -10.708 -3.167 1.00 0.88 C ATOM 340 O ASP A 22 -16.825 -11.361 -2.404 1.00 1.02 O ATOM 341 CB ASP A 22 -16.680 -10.307 -5.605 1.00 1.12 C ATOM 342 CG ASP A 22 -17.769 -11.338 -5.855 1.00 1.36 C ATOM 343 OD1 ASP A 22 -17.519 -12.537 -5.610 1.00 2.09 O ATOM 344 OD2 ASP A 22 -18.869 -10.944 -6.296 1.00 1.48 O ATOM 0 H ASP A 22 -15.323 -8.342 -4.908 1.00 0.85 H new ATOM 0 HA ASP A 22 -17.763 -9.553 -3.927 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -16.784 -9.495 -6.325 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -15.706 -10.765 -5.779 1.00 1.12 H new ATOM 349 N GLY A 23 -14.765 -10.787 -3.187 1.00 0.75 N ATOM 350 CA GLY A 23 -14.004 -11.608 -2.253 1.00 0.75 C ATOM 351 C GLY A 23 -14.332 -13.085 -2.215 1.00 0.85 C ATOM 352 O GLY A 23 -14.620 -13.631 -1.146 1.00 1.01 O ATOM 0 H GLY A 23 -14.185 -10.280 -3.855 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -12.946 -11.502 -2.492 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.147 -11.203 -1.251 1.00 0.75 H new ATOM 356 N ASP A 24 -14.292 -13.726 -3.382 1.00 0.82 N ATOM 357 CA ASP A 24 -14.492 -15.180 -3.499 1.00 0.95 C ATOM 358 C ASP A 24 -13.256 -15.882 -2.912 1.00 0.87 C ATOM 359 O ASP A 24 -13.155 -17.111 -2.839 1.00 0.96 O ATOM 360 CB ASP A 24 -14.592 -15.520 -4.969 1.00 1.00 C ATOM 361 CG ASP A 24 -15.224 -16.876 -5.241 1.00 1.41 C ATOM 362 OD1 ASP A 24 -14.478 -17.876 -5.307 1.00 1.96 O ATOM 363 OD2 ASP A 24 -16.463 -16.935 -5.388 1.00 1.93 O ATOM 0 H ASP A 24 -14.121 -13.260 -4.273 1.00 0.82 H new ATOM 0 HA ASP A 24 -15.392 -15.496 -2.972 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -15.176 -14.749 -5.472 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -13.594 -15.500 -5.406 1.00 1.00 H new ATOM 368 N GLY A 25 -12.348 -15.013 -2.499 1.00 0.74 N ATOM 369 CA GLY A 25 -11.065 -15.365 -1.921 1.00 0.72 C ATOM 370 C GLY A 25 -9.951 -15.023 -2.883 1.00 0.65 C ATOM 371 O GLY A 25 -8.788 -15.376 -2.672 1.00 0.69 O ATOM 0 H GLY A 25 -12.492 -14.005 -2.560 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -10.922 -14.831 -0.982 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.042 -16.430 -1.689 1.00 0.72 H new ATOM 375 N THR A 26 -10.349 -14.321 -3.947 1.00 0.62 N ATOM 376 CA THR A 26 -9.453 -13.867 -4.991 1.00 0.58 C ATOM 377 C THR A 26 -9.636 -12.380 -5.306 1.00 0.57 C ATOM 378 O THR A 26 -10.499 -11.704 -4.738 1.00 0.64 O ATOM 379 CB THR A 26 -9.706 -14.656 -6.279 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.106 -14.634 -6.598 1.00 0.63 O ATOM 381 CG2 THR A 26 -9.253 -16.090 -6.117 1.00 0.64 C ATOM 0 H THR A 26 -11.321 -14.052 -4.101 1.00 0.62 H new ATOM 0 HA THR A 26 -8.439 -14.027 -4.625 1.00 0.58 H new ATOM 0 HB THR A 26 -9.139 -14.192 -7.086 1.00 0.60 H new ATOM 0 HG1 THR A 26 -11.346 -15.456 -7.075 1.00 0.63 H new ATOM 0 HG21 THR A 26 -9.440 -16.637 -7.041 1.00 0.64 H new ATOM 0 HG22 THR A 26 -8.187 -16.111 -5.892 1.00 0.64 H new ATOM 0 HG23 THR A 26 -9.806 -16.556 -5.301 1.00 0.64 H new ATOM 389 N ILE A 27 -8.798 -11.905 -6.226 1.00 0.54 N ATOM 390 CA ILE A 27 -8.799 -10.552 -6.700 1.00 0.53 C ATOM 391 C ILE A 27 -9.241 -10.493 -8.117 1.00 0.53 C ATOM 392 O ILE A 27 -8.666 -11.123 -8.990 1.00 0.51 O ATOM 393 CB ILE A 27 -7.419 -9.943 -6.538 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.357 -9.425 -5.132 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.116 -8.833 -7.552 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.398 -10.176 -4.237 1.00 0.54 C ATOM 0 H ILE A 27 -8.082 -12.483 -6.667 1.00 0.54 H new ATOM 0 HA ILE A 27 -9.505 -9.973 -6.105 1.00 0.53 H new ATOM 0 HB ILE A 27 -6.659 -10.700 -6.730 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.067 -8.375 -5.156 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.355 -9.470 -4.696 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.113 -8.444 -7.377 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.177 -9.237 -8.563 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -7.842 -8.028 -7.438 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.413 -9.738 -3.239 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -6.698 -11.222 -4.179 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.390 -10.110 -4.647 1.00 0.54 H new ATOM 408 N THR A 28 -10.222 -9.674 -8.330 1.00 0.59 N ATOM 409 CA THR A 28 -10.792 -9.523 -9.644 1.00 0.61 C ATOM 410 C THR A 28 -10.354 -8.232 -10.296 1.00 0.58 C ATOM 411 O THR A 28 -9.800 -7.326 -9.666 1.00 0.57 O ATOM 412 CB THR A 28 -12.322 -9.590 -9.591 1.00 0.69 C ATOM 413 OG1 THR A 28 -12.759 -10.304 -8.424 1.00 0.75 O ATOM 414 CG2 THR A 28 -12.907 -10.256 -10.837 1.00 0.73 C ATOM 0 H THR A 28 -10.652 -9.093 -7.610 1.00 0.59 H new ATOM 0 HA THR A 28 -10.425 -10.352 -10.249 1.00 0.61 H new ATOM 0 HB THR A 28 -12.682 -8.562 -9.548 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.722 -10.474 -8.486 1.00 0.75 H new ATOM 0 HG21 THR A 28 -13.994 -10.283 -10.759 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.621 -9.687 -11.722 1.00 0.73 H new ATOM 0 HG23 THR A 28 -12.524 -11.273 -10.920 1.00 0.73 H new ATOM 422 N THR A 29 -10.634 -8.201 -11.580 1.00 0.58 N ATOM 423 CA THR A 29 -10.297 -7.102 -12.466 1.00 0.57 C ATOM 424 C THR A 29 -11.064 -5.810 -12.133 1.00 0.62 C ATOM 425 O THR A 29 -10.434 -4.763 -12.005 1.00 0.64 O ATOM 426 CB THR A 29 -10.494 -7.489 -13.969 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.706 -6.934 -14.498 1.00 0.66 O ATOM 428 CG2 THR A 29 -10.520 -8.994 -14.192 1.00 0.59 C ATOM 0 H THR A 29 -11.118 -8.963 -12.054 1.00 0.58 H new ATOM 0 HA THR A 29 -9.239 -6.898 -12.301 1.00 0.57 H new ATOM 0 HB THR A 29 -9.632 -7.074 -14.491 1.00 0.58 H new ATOM 0 HG1 THR A 29 -12.217 -7.637 -14.951 1.00 0.66 H new ATOM 0 HG21 THR A 29 -10.659 -9.202 -15.253 1.00 0.59 H new ATOM 0 HG22 THR A 29 -9.578 -9.428 -13.858 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.342 -9.432 -13.625 1.00 0.59 H new ATOM 436 N LYS A 30 -12.405 -5.884 -11.925 1.00 0.77 N ATOM 437 CA LYS A 30 -13.223 -4.670 -11.636 1.00 0.85 C ATOM 438 C LYS A 30 -12.585 -3.742 -10.589 1.00 0.84 C ATOM 439 O LYS A 30 -12.795 -2.529 -10.634 1.00 0.93 O ATOM 440 CB LYS A 30 -14.675 -5.005 -11.228 1.00 1.01 C ATOM 441 CG LYS A 30 -14.847 -6.075 -10.146 1.00 1.06 C ATOM 442 CD LYS A 30 -14.974 -7.463 -10.759 1.00 1.10 C ATOM 443 CE LYS A 30 -15.664 -8.437 -9.813 1.00 1.16 C ATOM 444 NZ LYS A 30 -16.172 -9.639 -10.530 1.00 1.66 N ATOM 0 H LYS A 30 -12.937 -6.754 -11.951 1.00 0.77 H new ATOM 0 HA LYS A 30 -13.252 -4.132 -12.583 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.153 -4.089 -10.882 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -15.214 -5.329 -12.118 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -13.994 -6.051 -9.468 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.733 -5.855 -9.551 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.537 -7.399 -11.690 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -13.983 -7.841 -11.011 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -14.965 -8.746 -9.036 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -16.493 -7.934 -9.314 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.210 -9.598 -10.584 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -15.776 -9.663 -11.491 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -15.886 -10.497 -10.016 1.00 1.66 H new ATOM 458 N GLU A 31 -11.816 -4.321 -9.658 1.00 0.82 N ATOM 459 CA GLU A 31 -11.121 -3.552 -8.640 1.00 0.87 C ATOM 460 C GLU A 31 -9.754 -3.090 -9.133 1.00 0.78 C ATOM 461 O GLU A 31 -9.443 -1.908 -9.044 1.00 0.81 O ATOM 462 CB GLU A 31 -10.977 -4.355 -7.345 1.00 1.02 C ATOM 463 CG GLU A 31 -10.347 -3.623 -6.140 1.00 1.82 C ATOM 464 CD GLU A 31 -10.806 -2.184 -5.918 1.00 2.69 C ATOM 465 OE1 GLU A 31 -10.533 -1.327 -6.783 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.429 -1.918 -4.869 1.00 3.27 O ATOM 0 H GLU A 31 -11.664 -5.328 -9.596 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.724 -2.668 -8.431 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -11.966 -4.706 -7.051 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.376 -5.239 -7.558 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -10.563 -4.196 -5.238 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -9.264 -3.623 -6.265 1.00 1.82 H new ATOM 473 N LEU A 32 -8.966 -4.031 -9.683 1.00 0.68 N ATOM 474 CA LEU A 32 -7.599 -3.762 -10.165 1.00 0.60 C ATOM 475 C LEU A 32 -7.484 -2.490 -11.000 1.00 0.66 C ATOM 476 O LEU A 32 -6.460 -1.819 -10.923 1.00 0.72 O ATOM 477 CB LEU A 32 -7.058 -4.993 -10.926 1.00 0.54 C ATOM 478 CG LEU A 32 -5.577 -4.962 -11.391 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.622 -4.464 -10.307 1.00 0.49 C ATOM 480 CD2 LEU A 32 -5.147 -6.342 -11.840 1.00 0.44 C ATOM 0 H LEU A 32 -9.259 -5.000 -9.806 1.00 0.68 H new ATOM 0 HA LEU A 32 -6.980 -3.582 -9.286 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -7.191 -5.867 -10.288 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.683 -5.144 -11.806 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.525 -4.257 -12.220 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.602 -4.465 -10.692 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -4.899 -3.451 -10.016 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.683 -5.120 -9.439 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -4.107 -6.311 -12.165 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -5.248 -7.042 -11.011 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.776 -6.668 -12.668 1.00 0.44 H new ATOM 492 N GLY A 33 -8.520 -2.166 -11.781 1.00 0.71 N ATOM 493 CA GLY A 33 -8.496 -0.943 -12.572 1.00 0.80 C ATOM 494 C GLY A 33 -8.920 0.264 -11.775 1.00 0.83 C ATOM 495 O GLY A 33 -8.465 1.381 -12.021 1.00 0.91 O ATOM 0 H GLY A 33 -9.368 -2.725 -11.878 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.490 -0.784 -12.960 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.155 -1.057 -13.433 1.00 0.80 H new ATOM 499 N THR A 34 -9.809 0.021 -10.831 1.00 0.80 N ATOM 500 CA THR A 34 -10.282 1.040 -9.896 1.00 0.84 C ATOM 501 C THR A 34 -9.171 1.348 -8.883 1.00 0.83 C ATOM 502 O THR A 34 -9.170 2.397 -8.233 1.00 0.88 O ATOM 503 CB THR A 34 -11.499 0.513 -9.124 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.449 -0.053 -10.033 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.186 1.602 -8.298 1.00 0.96 C ATOM 0 H THR A 34 -10.231 -0.896 -10.685 1.00 0.80 H new ATOM 0 HA THR A 34 -10.553 1.936 -10.454 1.00 0.84 H new ATOM 0 HB THR A 34 -11.131 -0.247 -8.435 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.240 -0.999 -10.178 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.040 1.175 -7.772 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.480 2.009 -7.574 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.528 2.399 -8.959 1.00 0.96 H new ATOM 513 N VAL A 35 -8.233 0.397 -8.778 1.00 0.77 N ATOM 514 CA VAL A 35 -7.096 0.490 -7.845 1.00 0.79 C ATOM 515 C VAL A 35 -5.988 1.378 -8.430 1.00 0.80 C ATOM 516 O VAL A 35 -5.651 2.438 -7.899 1.00 0.86 O ATOM 517 CB VAL A 35 -6.499 -0.927 -7.582 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.236 -0.872 -6.719 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.518 -1.839 -6.930 1.00 0.79 C ATOM 0 H VAL A 35 -8.239 -0.458 -9.335 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.462 0.923 -6.914 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.227 -1.331 -8.557 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.857 -1.882 -6.563 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.477 -0.274 -7.223 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.473 -0.421 -5.755 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -7.073 -2.819 -6.759 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.832 -1.412 -5.977 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.384 -1.943 -7.584 1.00 0.79 H new ATOM 529 N MET A 36 -5.454 0.880 -9.539 1.00 0.77 N ATOM 530 CA MET A 36 -4.366 1.499 -10.329 1.00 0.81 C ATOM 531 C MET A 36 -4.550 2.983 -10.616 1.00 0.80 C ATOM 532 O MET A 36 -3.629 3.777 -10.447 1.00 0.87 O ATOM 533 CB MET A 36 -4.299 0.825 -11.703 1.00 0.87 C ATOM 534 CG MET A 36 -5.644 0.403 -12.204 1.00 0.86 C ATOM 535 SD MET A 36 -5.590 -0.341 -13.849 1.00 1.10 S ATOM 536 CE MET A 36 -5.539 1.121 -14.890 1.00 1.82 C ATOM 0 H MET A 36 -5.772 -0.003 -9.939 1.00 0.77 H new ATOM 0 HA MET A 36 -3.471 1.371 -9.721 1.00 0.81 H new ATOM 0 HB2 MET A 36 -3.848 1.512 -12.419 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.647 -0.047 -11.644 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.078 -0.311 -11.504 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.305 1.270 -12.226 1.00 0.86 H new ATOM 0 HE1 MET A 36 -5.485 0.821 -15.936 1.00 1.82 H new ATOM 0 HE2 MET A 36 -6.439 1.714 -14.728 1.00 1.82 H new ATOM 0 HE3 MET A 36 -4.662 1.717 -14.638 1.00 1.82 H new ATOM 546 N ARG A 37 -5.759 3.331 -11.054 1.00 0.79 N ATOM 547 CA ARG A 37 -6.091 4.682 -11.492 1.00 0.85 C ATOM 548 C ARG A 37 -5.589 5.807 -10.575 1.00 0.94 C ATOM 549 O ARG A 37 -5.302 6.916 -11.035 1.00 1.01 O ATOM 550 CB ARG A 37 -7.597 4.823 -11.662 1.00 0.96 C ATOM 551 CG ARG A 37 -8.134 4.208 -12.944 1.00 1.49 C ATOM 552 CD ARG A 37 -9.636 4.405 -13.072 1.00 1.68 C ATOM 553 NE ARG A 37 -10.179 3.743 -14.263 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.481 3.694 -14.584 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.403 4.266 -13.812 1.00 2.47 N ATOM 556 NH2 ARG A 37 -11.859 3.066 -15.689 1.00 3.94 N ATOM 0 H ARG A 37 -6.540 2.677 -11.115 1.00 0.79 H new ATOM 0 HA ARG A 37 -5.566 4.804 -12.440 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.094 4.356 -10.811 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -7.857 5.881 -11.642 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -7.633 4.657 -13.802 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -7.903 3.143 -12.962 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.130 4.013 -12.183 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -9.859 5.471 -13.117 1.00 1.68 H new ATOM 0 HE ARG A 37 -9.519 3.287 -14.893 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.124 4.752 -12.960 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.388 4.218 -14.073 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -11.162 2.624 -16.288 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -12.847 3.025 -15.940 1.00 3.94 H new ATOM 570 N SER A 38 -5.493 5.494 -9.290 1.00 1.00 N ATOM 571 CA SER A 38 -5.060 6.452 -8.258 1.00 1.16 C ATOM 572 C SER A 38 -3.563 6.803 -8.290 1.00 1.17 C ATOM 573 O SER A 38 -3.167 7.823 -7.717 1.00 1.33 O ATOM 574 CB SER A 38 -5.435 5.926 -6.870 1.00 1.37 C ATOM 575 OG SER A 38 -4.853 4.656 -6.625 1.00 1.82 O ATOM 0 H SER A 38 -5.712 4.568 -8.923 1.00 1.00 H new ATOM 0 HA SER A 38 -5.586 7.380 -8.482 1.00 1.16 H new ATOM 0 HB2 SER A 38 -5.104 6.633 -6.109 1.00 1.37 H new ATOM 0 HB3 SER A 38 -6.519 5.853 -6.787 1.00 1.37 H new ATOM 0 HG SER A 38 -5.386 3.961 -7.065 1.00 1.82 H new ATOM 581 N LEU A 39 -2.740 5.980 -8.946 1.00 1.11 N ATOM 582 CA LEU A 39 -1.305 6.230 -9.014 1.00 1.26 C ATOM 583 C LEU A 39 -0.888 7.082 -10.226 1.00 1.23 C ATOM 584 O LEU A 39 0.243 7.579 -10.265 1.00 1.39 O ATOM 585 CB LEU A 39 -0.505 4.911 -8.947 1.00 1.42 C ATOM 586 CG LEU A 39 -0.975 3.732 -9.815 1.00 1.43 C ATOM 587 CD1 LEU A 39 -0.688 3.961 -11.288 1.00 1.18 C ATOM 588 CD2 LEU A 39 -0.323 2.443 -9.345 1.00 2.07 C ATOM 0 H LEU A 39 -3.045 5.138 -9.435 1.00 1.11 H new ATOM 0 HA LEU A 39 -1.059 6.825 -8.135 1.00 1.26 H new ATOM 0 HB2 LEU A 39 0.527 5.133 -9.218 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -0.498 4.578 -7.909 1.00 1.42 H new ATOM 0 HG LEU A 39 -2.056 3.651 -9.702 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.036 3.104 -11.864 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.206 4.859 -11.624 1.00 1.18 H new ATOM 0 HD13 LEU A 39 0.385 4.085 -11.435 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -0.663 1.615 -9.967 1.00 2.07 H new ATOM 0 HD22 LEU A 39 0.760 2.534 -9.423 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -0.598 2.254 -8.307 1.00 2.07 H new ATOM 600 N GLY A 40 -1.792 7.252 -11.205 1.00 1.12 N ATOM 601 CA GLY A 40 -1.485 8.075 -12.374 1.00 1.21 C ATOM 602 C GLY A 40 -1.288 7.302 -13.665 1.00 1.24 C ATOM 603 O GLY A 40 -0.496 7.712 -14.519 1.00 1.48 O ATOM 0 H GLY A 40 -2.724 6.837 -11.207 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -2.293 8.793 -12.517 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -0.581 8.649 -12.169 1.00 1.21 H new ATOM 607 N GLN A 41 -2.003 6.196 -13.802 1.00 1.05 N ATOM 608 CA GLN A 41 -1.933 5.358 -15.006 1.00 1.08 C ATOM 609 C GLN A 41 -3.141 5.630 -15.913 1.00 1.03 C ATOM 610 O GLN A 41 -4.122 6.241 -15.479 1.00 1.04 O ATOM 611 CB GLN A 41 -1.877 3.872 -14.612 1.00 1.08 C ATOM 612 CG GLN A 41 -1.306 2.953 -15.688 1.00 1.30 C ATOM 613 CD GLN A 41 -1.474 1.485 -15.347 1.00 2.18 C ATOM 614 OE1 GLN A 41 -0.498 0.924 -14.644 1.00 2.69 O flip ATOM 615 NE2 GLN A 41 -2.473 0.863 -15.709 1.00 3.01 N flip ATOM 0 H GLN A 41 -2.647 5.849 -13.091 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.026 5.606 -15.557 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -1.275 3.771 -13.709 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -2.884 3.537 -14.363 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.799 3.161 -16.638 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -0.247 3.172 -15.824 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -3.199 1.334 -16.248 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -2.574 -0.123 -15.470 1.00 3.01 H new ATOM 624 N ASN A 42 -3.058 5.168 -17.174 1.00 1.26 N ATOM 625 CA ASN A 42 -4.142 5.340 -18.154 1.00 1.34 C ATOM 626 C ASN A 42 -5.385 4.524 -17.736 1.00 0.89 C ATOM 627 O ASN A 42 -5.357 3.289 -17.799 1.00 1.50 O ATOM 628 CB ASN A 42 -3.671 4.916 -19.553 1.00 2.22 C ATOM 629 CG ASN A 42 -2.649 5.872 -20.141 1.00 3.03 C ATOM 630 OD1 ASN A 42 -3.001 6.835 -20.821 1.00 3.77 O ATOM 631 ND2 ASN A 42 -1.374 5.607 -19.880 1.00 3.37 N ATOM 0 H ASN A 42 -2.246 4.670 -17.538 1.00 1.26 H new ATOM 0 HA ASN A 42 -4.415 6.395 -18.183 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -3.239 3.917 -19.499 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -4.532 4.856 -20.219 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -0.641 6.213 -20.248 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -1.128 4.797 -19.311 1.00 3.37 H new ATOM 638 N PRO A 43 -6.496 5.193 -17.283 1.00 1.06 N ATOM 639 CA PRO A 43 -7.721 4.490 -16.839 1.00 1.66 C ATOM 640 C PRO A 43 -8.416 3.681 -17.946 1.00 1.29 C ATOM 641 O PRO A 43 -9.305 4.185 -18.646 1.00 1.26 O ATOM 642 CB PRO A 43 -8.639 5.625 -16.346 1.00 2.73 C ATOM 643 CG PRO A 43 -7.748 6.797 -16.132 1.00 2.76 C ATOM 644 CD PRO A 43 -6.648 6.663 -17.142 1.00 1.85 C ATOM 0 HA PRO A 43 -7.482 3.746 -16.079 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -9.413 5.850 -17.080 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -9.147 5.345 -15.423 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -8.292 7.732 -16.268 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -7.349 6.805 -15.118 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.911 7.134 -18.089 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.726 7.132 -16.798 1.00 1.85 H new ATOM 652 N THR A 44 -7.977 2.428 -18.113 1.00 1.26 N ATOM 653 CA THR A 44 -8.570 1.527 -19.088 1.00 1.00 C ATOM 654 C THR A 44 -9.488 0.525 -18.407 1.00 0.85 C ATOM 655 O THR A 44 -9.274 0.155 -17.248 1.00 0.89 O ATOM 656 CB THR A 44 -7.510 0.763 -19.899 1.00 1.17 C ATOM 657 OG1 THR A 44 -6.195 1.015 -19.388 1.00 1.51 O ATOM 658 CG2 THR A 44 -7.567 1.177 -21.342 1.00 1.33 C ATOM 0 H THR A 44 -7.209 2.021 -17.579 1.00 1.26 H new ATOM 0 HA THR A 44 -9.143 2.150 -19.775 1.00 1.00 H new ATOM 0 HB THR A 44 -7.724 -0.302 -19.813 1.00 1.17 H new ATOM 0 HG1 THR A 44 -5.605 1.284 -20.123 1.00 1.51 H new ATOM 0 HG21 THR A 44 -6.812 0.630 -21.907 1.00 1.33 H new ATOM 0 HG22 THR A 44 -8.555 0.955 -21.746 1.00 1.33 H new ATOM 0 HG23 THR A 44 -7.375 2.247 -21.421 1.00 1.33 H new ATOM 666 N GLU A 45 -10.509 0.094 -19.147 1.00 0.76 N ATOM 667 CA GLU A 45 -11.501 -0.868 -18.654 1.00 0.72 C ATOM 668 C GLU A 45 -10.979 -2.285 -18.791 1.00 0.71 C ATOM 669 O GLU A 45 -11.383 -3.169 -18.049 1.00 0.70 O ATOM 670 CB GLU A 45 -12.831 -0.717 -19.399 1.00 0.79 C ATOM 671 CG GLU A 45 -13.604 0.541 -19.031 1.00 0.85 C ATOM 672 CD GLU A 45 -14.913 0.662 -19.786 1.00 1.41 C ATOM 673 OE1 GLU A 45 -15.940 0.164 -19.279 1.00 2.03 O ATOM 674 OE2 GLU A 45 -14.912 1.255 -20.886 1.00 1.97 O ATOM 0 H GLU A 45 -10.674 0.400 -20.106 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.677 -0.660 -17.599 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -12.637 -0.712 -20.472 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -13.453 -1.588 -19.192 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.805 0.539 -17.960 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -12.987 1.416 -19.238 1.00 0.85 H new ATOM 681 N ALA A 46 -10.138 -2.498 -19.802 1.00 0.75 N ATOM 682 CA ALA A 46 -9.510 -3.781 -20.028 1.00 0.78 C ATOM 683 C ALA A 46 -8.205 -3.890 -19.258 1.00 0.76 C ATOM 684 O ALA A 46 -7.715 -4.991 -19.055 1.00 0.77 O ATOM 685 CB ALA A 46 -9.295 -4.027 -21.514 1.00 0.90 C ATOM 0 H ALA A 46 -9.879 -1.782 -20.481 1.00 0.75 H new ATOM 0 HA ALA A 46 -10.181 -4.556 -19.656 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -8.821 -4.998 -21.657 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -10.256 -4.013 -22.028 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -8.653 -3.247 -21.923 1.00 0.90 H new ATOM 691 N GLU A 47 -7.648 -2.737 -18.823 1.00 0.77 N ATOM 692 CA GLU A 47 -6.383 -2.720 -18.042 1.00 0.81 C ATOM 693 C GLU A 47 -6.434 -3.660 -16.840 1.00 0.68 C ATOM 694 O GLU A 47 -5.429 -4.262 -16.485 1.00 0.62 O ATOM 695 CB GLU A 47 -6.064 -1.297 -17.562 1.00 0.95 C ATOM 696 CG GLU A 47 -4.578 -0.936 -17.536 1.00 1.30 C ATOM 697 CD GLU A 47 -3.922 -0.942 -18.910 1.00 1.55 C ATOM 698 OE1 GLU A 47 -3.650 0.154 -19.444 1.00 2.16 O ATOM 699 OE2 GLU A 47 -3.681 -2.044 -19.447 1.00 2.13 O ATOM 0 H GLU A 47 -8.047 -1.814 -18.995 1.00 0.77 H new ATOM 0 HA GLU A 47 -5.596 -3.069 -18.711 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.582 -0.588 -18.208 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -6.470 -1.170 -16.558 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -4.461 0.053 -17.092 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -4.054 -1.640 -16.890 1.00 1.30 H new ATOM 706 N LEU A 48 -7.611 -3.776 -16.233 1.00 0.66 N ATOM 707 CA LEU A 48 -7.826 -4.656 -15.094 1.00 0.59 C ATOM 708 C LEU A 48 -8.002 -6.108 -15.558 1.00 0.55 C ATOM 709 O LEU A 48 -7.468 -7.020 -14.928 1.00 0.56 O ATOM 710 CB LEU A 48 -9.004 -4.147 -14.245 1.00 0.61 C ATOM 711 CG LEU A 48 -10.124 -3.392 -14.980 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.941 -4.339 -15.817 1.00 0.87 C ATOM 713 CD2 LEU A 48 -11.038 -2.649 -14.016 1.00 1.24 C ATOM 0 H LEU A 48 -8.443 -3.260 -16.519 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.945 -4.643 -14.453 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -9.450 -5.003 -13.738 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.605 -3.491 -13.472 1.00 0.61 H new ATOM 0 HG LEU A 48 -9.642 -2.658 -15.625 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.728 -3.786 -16.329 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -10.298 -4.821 -16.554 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.389 -5.098 -15.175 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -11.814 -2.130 -14.578 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -11.500 -3.360 -13.331 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -10.455 -1.924 -13.448 1.00 1.24 H new ATOM 725 N GLN A 49 -8.746 -6.319 -16.662 1.00 0.57 N ATOM 726 CA GLN A 49 -8.923 -7.658 -17.248 1.00 0.60 C ATOM 727 C GLN A 49 -7.636 -8.105 -17.960 1.00 0.59 C ATOM 728 O GLN A 49 -7.408 -9.302 -18.158 1.00 0.61 O ATOM 729 CB GLN A 49 -10.092 -7.672 -18.243 1.00 0.67 C ATOM 730 CG GLN A 49 -11.466 -7.531 -17.602 1.00 0.80 C ATOM 731 CD GLN A 49 -12.562 -7.295 -18.623 1.00 1.03 C ATOM 732 OE1 GLN A 49 -12.873 -6.154 -18.964 1.00 1.67 O ATOM 733 NE2 GLN A 49 -13.153 -8.376 -19.117 1.00 1.52 N ATOM 0 H GLN A 49 -9.233 -5.577 -17.164 1.00 0.57 H new ATOM 0 HA GLN A 49 -9.146 -8.351 -16.437 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -9.954 -6.862 -18.959 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -10.062 -8.604 -18.807 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -11.692 -8.433 -17.033 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -11.450 -6.703 -16.894 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -12.863 -9.303 -18.806 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -13.897 -8.280 -19.808 1.00 1.52 H new ATOM 742 N ASP A 50 -6.807 -7.114 -18.337 1.00 0.58 N ATOM 743 CA ASP A 50 -5.526 -7.351 -19.005 1.00 0.57 C ATOM 744 C ASP A 50 -4.421 -7.565 -17.973 1.00 0.49 C ATOM 745 O ASP A 50 -3.584 -8.456 -18.136 1.00 0.48 O ATOM 746 CB ASP A 50 -5.161 -6.187 -19.931 1.00 0.63 C ATOM 747 CG ASP A 50 -5.839 -6.291 -21.283 1.00 1.03 C ATOM 748 OD1 ASP A 50 -7.076 -6.133 -21.342 1.00 1.83 O ATOM 749 OD2 ASP A 50 -5.132 -6.530 -22.285 1.00 1.48 O ATOM 0 H ASP A 50 -7.012 -6.127 -18.184 1.00 0.58 H new ATOM 0 HA ASP A 50 -5.626 -8.251 -19.612 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -5.443 -5.247 -19.457 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -4.080 -6.162 -20.070 1.00 0.63 H new ATOM 754 N MET A 51 -4.415 -6.731 -16.909 1.00 0.45 N ATOM 755 CA MET A 51 -3.416 -6.868 -15.829 1.00 0.41 C ATOM 756 C MET A 51 -3.507 -8.237 -15.135 1.00 0.39 C ATOM 757 O MET A 51 -2.489 -8.752 -14.663 1.00 0.38 O ATOM 758 CB MET A 51 -3.524 -5.742 -14.790 1.00 0.41 C ATOM 759 CG MET A 51 -2.783 -4.474 -15.188 1.00 0.48 C ATOM 760 SD MET A 51 -1.000 -4.717 -15.307 1.00 1.31 S ATOM 761 CE MET A 51 -0.465 -3.073 -15.776 1.00 1.31 C ATOM 0 H MET A 51 -5.079 -5.968 -16.777 1.00 0.45 H new ATOM 0 HA MET A 51 -2.441 -6.790 -16.309 1.00 0.41 H new ATOM 0 HB2 MET A 51 -4.576 -5.504 -14.632 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.132 -6.099 -13.838 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.162 -4.123 -16.148 1.00 0.48 H new ATOM 0 HG3 MET A 51 -2.991 -3.692 -14.457 1.00 0.48 H new ATOM 0 HE1 MET A 51 0.607 -3.082 -15.975 1.00 1.31 H new ATOM 0 HE2 MET A 51 -0.998 -2.759 -16.673 1.00 1.31 H new ATOM 0 HE3 MET A 51 -0.678 -2.376 -14.965 1.00 1.31 H new ATOM 771 N ILE A 52 -4.722 -8.825 -15.072 1.00 0.41 N ATOM 772 CA ILE A 52 -4.892 -10.155 -14.461 1.00 0.42 C ATOM 773 C ILE A 52 -4.627 -11.274 -15.486 1.00 0.46 C ATOM 774 O ILE A 52 -4.472 -12.435 -15.116 1.00 0.49 O ATOM 775 CB ILE A 52 -6.263 -10.405 -13.784 1.00 0.45 C ATOM 776 CG1 ILE A 52 -6.733 -9.164 -13.022 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.156 -11.591 -12.849 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.271 -9.365 -11.594 1.00 0.48 C ATOM 0 H ILE A 52 -5.581 -8.407 -15.430 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.150 -10.173 -13.663 1.00 0.42 H new ATOM 0 HB ILE A 52 -7.001 -10.620 -14.557 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -5.898 -8.465 -12.971 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -7.515 -8.684 -13.611 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.120 -11.767 -12.373 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -5.864 -12.476 -13.415 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -5.406 -11.386 -12.085 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.566 -8.402 -11.178 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.135 -10.029 -11.621 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.493 -9.806 -10.971 1.00 0.48 H new ATOM 790 N ASN A 53 -4.583 -10.908 -16.772 1.00 0.49 N ATOM 791 CA ASN A 53 -4.364 -11.842 -17.865 1.00 0.56 C ATOM 792 C ASN A 53 -2.927 -12.348 -17.891 1.00 0.58 C ATOM 793 O ASN A 53 -2.680 -13.554 -17.952 1.00 0.65 O ATOM 794 CB ASN A 53 -4.649 -11.098 -19.146 1.00 0.58 C ATOM 795 CG ASN A 53 -5.615 -11.822 -20.063 1.00 0.65 C ATOM 796 OD1 ASN A 53 -6.829 -11.632 -19.980 1.00 1.27 O ATOM 797 ND2 ASN A 53 -5.080 -12.659 -20.945 1.00 1.35 N ATOM 0 H ASN A 53 -4.701 -9.942 -17.079 1.00 0.49 H new ATOM 0 HA ASN A 53 -5.015 -12.708 -17.741 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -5.056 -10.116 -18.904 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -3.712 -10.932 -19.677 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -5.681 -13.175 -21.588 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -4.069 -12.786 -20.979 1.00 1.35 H new ATOM 804 N GLU A 54 -1.992 -11.395 -17.862 1.00 0.55 N ATOM 805 CA GLU A 54 -0.551 -11.707 -17.875 1.00 0.59 C ATOM 806 C GLU A 54 -0.029 -12.152 -16.510 1.00 0.57 C ATOM 807 O GLU A 54 0.962 -12.884 -16.431 1.00 0.62 O ATOM 808 CB GLU A 54 0.282 -10.538 -18.443 1.00 0.61 C ATOM 809 CG GLU A 54 -0.005 -9.175 -17.817 1.00 0.79 C ATOM 810 CD GLU A 54 0.787 -8.056 -18.465 1.00 1.15 C ATOM 811 OE1 GLU A 54 1.912 -7.777 -17.999 1.00 1.78 O ATOM 812 OE2 GLU A 54 0.283 -7.460 -19.440 1.00 1.82 O ATOM 0 H GLU A 54 -2.202 -10.397 -17.829 1.00 0.55 H new ATOM 0 HA GLU A 54 -0.430 -12.558 -18.546 1.00 0.59 H new ATOM 0 HB2 GLU A 54 1.339 -10.767 -18.309 1.00 0.61 H new ATOM 0 HB3 GLU A 54 0.103 -10.473 -19.516 1.00 0.61 H new ATOM 0 HG2 GLU A 54 -1.070 -8.958 -17.902 1.00 0.79 H new ATOM 0 HG3 GLU A 54 0.229 -9.212 -16.753 1.00 0.79 H new ATOM 819 N VAL A 55 -0.695 -11.707 -15.455 1.00 0.50 N ATOM 820 CA VAL A 55 -0.333 -12.104 -14.096 1.00 0.48 C ATOM 821 C VAL A 55 -1.450 -13.032 -13.593 1.00 0.48 C ATOM 822 O VAL A 55 -1.785 -13.070 -12.407 1.00 0.45 O ATOM 823 CB VAL A 55 -0.120 -10.880 -13.141 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.743 -11.273 -11.945 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.522 -9.701 -13.869 1.00 0.48 C ATOM 0 H VAL A 55 -1.490 -11.070 -15.510 1.00 0.50 H new ATOM 0 HA VAL A 55 0.628 -12.618 -14.104 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.105 -10.571 -12.790 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.879 -10.409 -11.295 1.00 0.47 H new ATOM 0 HG12 VAL A 55 0.252 -12.072 -11.389 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.715 -11.619 -12.296 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.653 -8.872 -13.174 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.493 -10.002 -14.263 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.121 -9.387 -14.691 1.00 0.48 H new ATOM 835 N ASP A 56 -1.987 -13.812 -14.551 1.00 0.55 N ATOM 836 CA ASP A 56 -3.109 -14.743 -14.324 1.00 0.60 C ATOM 837 C ASP A 56 -2.844 -15.859 -13.301 1.00 0.61 C ATOM 838 O ASP A 56 -2.000 -16.736 -13.517 1.00 0.65 O ATOM 839 CB ASP A 56 -3.567 -15.356 -15.665 1.00 0.75 C ATOM 840 CG ASP A 56 -2.467 -16.112 -16.406 1.00 0.98 C ATOM 841 OD1 ASP A 56 -2.647 -17.321 -16.661 1.00 1.58 O ATOM 842 OD2 ASP A 56 -1.429 -15.493 -16.724 1.00 1.87 O ATOM 0 H ASP A 56 -1.651 -13.813 -15.514 1.00 0.55 H new ATOM 0 HA ASP A 56 -3.897 -14.133 -13.882 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -4.399 -16.035 -15.478 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -3.944 -14.560 -16.307 1.00 0.75 H new ATOM 847 N ALA A 57 -3.575 -15.790 -12.178 1.00 0.59 N ATOM 848 CA ALA A 57 -3.514 -16.813 -11.131 1.00 0.62 C ATOM 849 C ALA A 57 -4.521 -17.908 -11.450 1.00 0.68 C ATOM 850 O ALA A 57 -4.211 -19.103 -11.432 1.00 0.74 O ATOM 851 CB ALA A 57 -3.820 -16.212 -9.767 1.00 0.60 C ATOM 0 H ALA A 57 -4.220 -15.027 -11.974 1.00 0.59 H new ATOM 0 HA ALA A 57 -2.507 -17.229 -11.100 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -3.769 -16.991 -9.006 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.091 -15.434 -9.540 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -4.820 -15.779 -9.776 1.00 0.60 H new ATOM 857 N ASP A 58 -5.730 -17.445 -11.740 1.00 0.68 N ATOM 858 CA ASP A 58 -6.851 -18.290 -12.116 1.00 0.75 C ATOM 859 C ASP A 58 -7.256 -17.974 -13.566 1.00 0.75 C ATOM 860 O ASP A 58 -7.872 -18.796 -14.250 1.00 0.83 O ATOM 861 CB ASP A 58 -7.991 -18.060 -11.107 1.00 0.77 C ATOM 862 CG ASP A 58 -9.331 -18.652 -11.524 1.00 0.90 C ATOM 863 OD1 ASP A 58 -10.272 -17.870 -11.773 1.00 1.36 O ATOM 864 OD2 ASP A 58 -9.434 -19.894 -11.600 1.00 1.62 O ATOM 0 H ASP A 58 -5.961 -16.452 -11.719 1.00 0.68 H new ATOM 0 HA ASP A 58 -6.589 -19.347 -12.084 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -7.702 -18.488 -10.147 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -8.113 -16.988 -10.954 1.00 0.77 H new ATOM 869 N GLY A 59 -6.888 -16.760 -14.001 1.00 0.68 N ATOM 870 CA GLY A 59 -7.110 -16.290 -15.360 1.00 0.68 C ATOM 871 C GLY A 59 -8.543 -16.034 -15.734 1.00 0.72 C ATOM 872 O GLY A 59 -8.853 -15.855 -16.916 1.00 0.75 O ATOM 0 H GLY A 59 -6.423 -16.075 -13.405 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -6.546 -15.368 -15.503 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -6.699 -17.026 -16.051 1.00 0.68 H new ATOM 876 N ASN A 60 -9.416 -16.018 -14.737 1.00 0.73 N ATOM 877 CA ASN A 60 -10.800 -15.688 -14.959 1.00 0.78 C ATOM 878 C ASN A 60 -10.956 -14.217 -14.624 1.00 0.72 C ATOM 879 O ASN A 60 -12.060 -13.693 -14.427 1.00 0.77 O ATOM 880 CB ASN A 60 -11.735 -16.571 -14.120 1.00 0.86 C ATOM 881 CG ASN A 60 -11.762 -18.012 -14.595 1.00 1.28 C ATOM 882 OD1 ASN A 60 -10.972 -18.841 -14.144 1.00 1.86 O ATOM 883 ND2 ASN A 60 -12.673 -18.316 -15.511 1.00 2.03 N ATOM 0 H ASN A 60 -9.181 -16.231 -13.768 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.081 -15.874 -15.996 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -11.417 -16.542 -13.078 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -12.745 -16.162 -14.157 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -12.738 -19.269 -15.869 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -13.308 -17.597 -15.857 1.00 2.03 H new ATOM 890 N GLY A 61 -9.784 -13.566 -14.597 1.00 0.64 N ATOM 891 CA GLY A 61 -9.690 -12.167 -14.266 1.00 0.59 C ATOM 892 C GLY A 61 -9.503 -11.984 -12.781 1.00 0.56 C ATOM 893 O GLY A 61 -9.874 -10.964 -12.197 1.00 0.56 O ATOM 0 H GLY A 61 -8.888 -14.006 -14.805 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -8.854 -11.717 -14.801 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -10.593 -11.650 -14.591 1.00 0.59 H new ATOM 897 N THR A 62 -8.926 -13.013 -12.187 1.00 0.56 N ATOM 898 CA THR A 62 -8.686 -13.061 -10.761 1.00 0.54 C ATOM 899 C THR A 62 -7.267 -13.447 -10.423 1.00 0.50 C ATOM 900 O THR A 62 -6.697 -14.368 -11.016 1.00 0.51 O ATOM 901 CB THR A 62 -9.593 -14.059 -10.041 1.00 0.59 C ATOM 902 OG1 THR A 62 -10.162 -15.000 -10.963 1.00 0.65 O ATOM 903 CG2 THR A 62 -10.691 -13.342 -9.280 1.00 0.62 C ATOM 0 H THR A 62 -8.609 -13.844 -12.687 1.00 0.56 H new ATOM 0 HA THR A 62 -8.896 -12.046 -10.424 1.00 0.54 H new ATOM 0 HB THR A 62 -8.978 -14.607 -9.328 1.00 0.59 H new ATOM 0 HG1 THR A 62 -10.736 -15.628 -10.477 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.323 -14.074 -8.777 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.246 -12.677 -8.540 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.295 -12.759 -9.976 1.00 0.62 H new ATOM 911 N ILE A 63 -6.714 -12.724 -9.461 1.00 0.47 N ATOM 912 CA ILE A 63 -5.391 -12.970 -8.973 1.00 0.45 C ATOM 913 C ILE A 63 -5.495 -13.374 -7.503 1.00 0.46 C ATOM 914 O ILE A 63 -6.300 -12.827 -6.741 1.00 0.48 O ATOM 915 CB ILE A 63 -4.486 -11.739 -9.184 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.126 -12.121 -9.776 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.312 -10.985 -7.892 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.426 -10.953 -10.448 1.00 0.42 C ATOM 0 H ILE A 63 -7.186 -11.946 -9.001 1.00 0.47 H new ATOM 0 HA ILE A 63 -4.924 -13.782 -9.530 1.00 0.45 H new ATOM 0 HB ILE A 63 -4.981 -11.090 -9.906 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -2.488 -12.514 -8.984 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.263 -12.922 -10.502 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -3.671 -10.120 -8.059 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.285 -10.651 -7.532 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -3.854 -11.638 -7.149 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.468 -11.284 -10.848 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.047 -10.575 -11.260 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.260 -10.160 -9.719 1.00 0.42 H new ATOM 930 N ASP A 64 -4.695 -14.341 -7.145 1.00 0.48 N ATOM 931 CA ASP A 64 -4.669 -14.903 -5.802 1.00 0.51 C ATOM 932 C ASP A 64 -3.589 -14.242 -4.931 1.00 0.54 C ATOM 933 O ASP A 64 -2.959 -13.265 -5.348 1.00 0.54 O ATOM 934 CB ASP A 64 -4.444 -16.410 -5.916 1.00 0.57 C ATOM 935 CG ASP A 64 -5.708 -17.160 -6.291 1.00 0.65 C ATOM 936 OD1 ASP A 64 -6.449 -17.571 -5.373 1.00 1.25 O ATOM 937 OD2 ASP A 64 -5.956 -17.337 -7.502 1.00 1.33 O ATOM 0 H ASP A 64 -4.027 -14.775 -7.782 1.00 0.48 H new ATOM 0 HA ASP A 64 -5.622 -14.708 -5.309 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -3.675 -16.604 -6.664 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -4.068 -16.791 -4.966 1.00 0.57 H new ATOM 942 N PHE A 65 -3.387 -14.787 -3.719 1.00 0.62 N ATOM 943 CA PHE A 65 -2.404 -14.262 -2.760 1.00 0.73 C ATOM 944 C PHE A 65 -0.925 -14.536 -3.154 1.00 0.78 C ATOM 945 O PHE A 65 -0.077 -13.695 -2.854 1.00 0.86 O ATOM 946 CB PHE A 65 -2.692 -14.793 -1.339 1.00 0.82 C ATOM 947 CG PHE A 65 -2.791 -16.295 -1.216 1.00 0.82 C ATOM 948 CD1 PHE A 65 -3.985 -16.950 -1.480 1.00 1.39 C ATOM 949 CD2 PHE A 65 -1.690 -17.046 -0.834 1.00 1.51 C ATOM 950 CE1 PHE A 65 -4.077 -18.324 -1.366 1.00 1.43 C ATOM 951 CE2 PHE A 65 -1.777 -18.420 -0.718 1.00 1.52 C ATOM 952 CZ PHE A 65 -2.972 -19.060 -0.985 1.00 0.90 C ATOM 0 H PHE A 65 -3.899 -15.601 -3.379 1.00 0.62 H new ATOM 0 HA PHE A 65 -2.523 -13.179 -2.778 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -1.905 -14.442 -0.672 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -3.626 -14.354 -0.988 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -4.852 -16.380 -1.778 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -0.753 -16.551 -0.625 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -5.012 -18.822 -1.575 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -0.912 -18.993 -0.419 1.00 1.52 H new ATOM 0 HZ PHE A 65 -3.042 -20.134 -0.896 1.00 0.90 H new ATOM 962 N PRO A 66 -0.565 -15.690 -3.821 1.00 0.79 N ATOM 963 CA PRO A 66 0.838 -15.977 -4.198 1.00 0.89 C ATOM 964 C PRO A 66 1.373 -15.090 -5.330 1.00 0.79 C ATOM 965 O PRO A 66 2.568 -14.791 -5.361 1.00 0.82 O ATOM 966 CB PRO A 66 0.810 -17.447 -4.655 1.00 0.98 C ATOM 967 CG PRO A 66 -0.513 -17.978 -4.221 1.00 0.91 C ATOM 968 CD PRO A 66 -1.441 -16.805 -4.242 1.00 0.75 C ATOM 0 HA PRO A 66 1.503 -15.780 -3.357 1.00 0.89 H new ATOM 0 HB2 PRO A 66 0.927 -17.523 -5.736 1.00 0.98 H new ATOM 0 HB3 PRO A 66 1.626 -18.013 -4.205 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -0.859 -18.764 -4.892 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -0.453 -18.413 -3.223 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -1.860 -16.638 -5.234 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -2.280 -16.940 -3.560 1.00 0.75 H new ATOM 976 N GLU A 67 0.488 -14.682 -6.255 1.00 0.69 N ATOM 977 CA GLU A 67 0.872 -13.844 -7.387 1.00 0.63 C ATOM 978 C GLU A 67 0.792 -12.345 -7.072 1.00 0.62 C ATOM 979 O GLU A 67 1.749 -11.615 -7.341 1.00 0.66 O ATOM 980 CB GLU A 67 0.036 -14.195 -8.608 1.00 0.61 C ATOM 981 CG GLU A 67 0.757 -15.117 -9.576 1.00 0.70 C ATOM 982 CD GLU A 67 -0.177 -15.780 -10.568 1.00 1.12 C ATOM 983 OE1 GLU A 67 -0.640 -16.904 -10.285 1.00 1.71 O ATOM 984 OE2 GLU A 67 -0.441 -15.178 -11.629 1.00 1.94 O ATOM 0 H GLU A 67 -0.503 -14.925 -6.234 1.00 0.69 H new ATOM 0 HA GLU A 67 1.920 -14.053 -7.603 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -0.890 -14.670 -8.283 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -0.242 -13.278 -9.127 1.00 0.61 H new ATOM 0 HG2 GLU A 67 1.510 -14.547 -10.120 1.00 0.70 H new ATOM 0 HG3 GLU A 67 1.285 -15.886 -9.012 1.00 0.70 H new ATOM 991 N PHE A 68 -0.362 -11.893 -6.529 1.00 0.63 N ATOM 992 CA PHE A 68 -0.596 -10.484 -6.143 1.00 0.72 C ATOM 993 C PHE A 68 0.642 -9.784 -5.554 1.00 0.79 C ATOM 994 O PHE A 68 0.988 -8.681 -5.979 1.00 0.87 O ATOM 995 CB PHE A 68 -1.772 -10.433 -5.145 1.00 0.88 C ATOM 996 CG PHE A 68 -2.248 -9.047 -4.782 1.00 0.91 C ATOM 997 CD1 PHE A 68 -3.194 -8.396 -5.555 1.00 1.54 C ATOM 998 CD2 PHE A 68 -1.750 -8.407 -3.658 1.00 1.84 C ATOM 999 CE1 PHE A 68 -3.633 -7.131 -5.215 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -2.185 -7.142 -3.314 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.128 -6.504 -4.093 1.00 2.37 C ATOM 0 H PHE A 68 -1.161 -12.500 -6.346 1.00 0.63 H new ATOM 0 HA PHE A 68 -0.833 -9.934 -7.053 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -2.610 -10.989 -5.567 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.475 -10.949 -4.232 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -3.593 -8.882 -6.433 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -1.013 -8.903 -3.044 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -4.371 -6.633 -5.826 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -1.788 -6.653 -2.437 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.471 -5.515 -3.826 1.00 2.37 H new ATOM 1011 N LEU A 69 1.302 -10.436 -4.603 1.00 0.81 N ATOM 1012 CA LEU A 69 2.478 -9.859 -3.940 1.00 0.89 C ATOM 1013 C LEU A 69 3.793 -10.119 -4.649 1.00 0.84 C ATOM 1014 O LEU A 69 4.789 -9.492 -4.310 1.00 0.89 O ATOM 1015 CB LEU A 69 2.624 -10.349 -2.516 1.00 0.99 C ATOM 1016 CG LEU A 69 2.087 -11.752 -2.260 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.846 -12.795 -3.071 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.167 -12.083 -0.790 1.00 1.14 C ATOM 0 H LEU A 69 1.046 -11.366 -4.270 1.00 0.81 H new ATOM 0 HA LEU A 69 2.282 -8.787 -3.967 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.680 -10.325 -2.246 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.110 -9.653 -1.853 1.00 0.99 H new ATOM 0 HG LEU A 69 1.044 -11.771 -2.576 1.00 0.97 H new ATOM 0 HD11 LEU A 69 2.437 -13.784 -2.865 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.744 -12.575 -4.134 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.900 -12.773 -2.796 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.780 -13.088 -0.622 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.205 -12.034 -0.462 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.573 -11.366 -0.223 1.00 1.14 H new ATOM 1030 N THR A 70 3.816 -11.075 -5.587 1.00 0.78 N ATOM 1031 CA THR A 70 5.049 -11.428 -6.327 1.00 0.78 C ATOM 1032 C THR A 70 5.801 -10.186 -6.810 1.00 0.80 C ATOM 1033 O THR A 70 6.996 -10.255 -7.096 1.00 0.79 O ATOM 1034 CB THR A 70 4.741 -12.368 -7.526 1.00 0.80 C ATOM 1035 OG1 THR A 70 3.902 -13.443 -7.097 1.00 0.79 O ATOM 1036 CG2 THR A 70 6.012 -12.948 -8.142 1.00 0.88 C ATOM 0 H THR A 70 2.998 -11.622 -5.856 1.00 0.78 H new ATOM 0 HA THR A 70 5.693 -11.959 -5.626 1.00 0.78 H new ATOM 0 HB THR A 70 4.237 -11.769 -8.285 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.901 -13.486 -6.118 1.00 0.79 H new ATOM 0 HG21 THR A 70 5.748 -13.598 -8.976 1.00 0.88 H new ATOM 0 HG22 THR A 70 6.645 -12.137 -8.501 1.00 0.88 H new ATOM 0 HG23 THR A 70 6.551 -13.523 -7.390 1.00 0.88 H new ATOM 1044 N MET A 71 5.081 -9.071 -6.899 1.00 0.87 N ATOM 1045 CA MET A 71 5.665 -7.807 -7.285 1.00 0.96 C ATOM 1046 C MET A 71 6.227 -7.050 -6.084 1.00 0.97 C ATOM 1047 O MET A 71 7.234 -6.357 -6.231 1.00 1.00 O ATOM 1048 CB MET A 71 4.669 -6.952 -8.069 1.00 1.10 C ATOM 1049 CG MET A 71 4.406 -7.463 -9.477 1.00 1.15 C ATOM 1050 SD MET A 71 3.302 -6.390 -10.413 1.00 1.66 S ATOM 1051 CE MET A 71 3.218 -7.268 -11.972 1.00 1.68 C ATOM 0 H MET A 71 4.081 -9.027 -6.705 1.00 0.87 H new ATOM 0 HA MET A 71 6.504 -8.027 -7.945 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.726 -6.914 -7.523 1.00 1.10 H new ATOM 0 HB3 MET A 71 5.045 -5.931 -8.126 1.00 1.10 H new ATOM 0 HG2 MET A 71 5.353 -7.555 -10.008 1.00 1.15 H new ATOM 0 HG3 MET A 71 3.974 -8.462 -9.421 1.00 1.15 H new ATOM 0 HE1 MET A 71 2.569 -6.726 -12.660 1.00 1.68 H new ATOM 0 HE2 MET A 71 4.217 -7.345 -12.400 1.00 1.68 H new ATOM 0 HE3 MET A 71 2.816 -8.268 -11.805 1.00 1.68 H new ATOM 1061 N MET A 72 5.592 -7.174 -4.896 1.00 0.99 N ATOM 1062 CA MET A 72 6.123 -6.519 -3.696 1.00 1.06 C ATOM 1063 C MET A 72 7.145 -7.456 -3.070 1.00 0.94 C ATOM 1064 O MET A 72 8.035 -7.038 -2.324 1.00 0.95 O ATOM 1065 CB MET A 72 5.004 -6.101 -2.715 1.00 1.23 C ATOM 1066 CG MET A 72 4.263 -7.247 -2.020 1.00 1.37 C ATOM 1067 SD MET A 72 5.130 -7.836 -0.551 1.00 2.19 S ATOM 1068 CE MET A 72 3.808 -8.668 0.327 1.00 3.08 C ATOM 0 H MET A 72 4.735 -7.708 -4.751 1.00 0.99 H new ATOM 0 HA MET A 72 6.612 -5.583 -3.965 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.439 -5.458 -1.950 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.276 -5.500 -3.259 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.264 -6.913 -1.739 1.00 1.37 H new ATOM 0 HG3 MET A 72 4.138 -8.073 -2.720 1.00 1.37 H new ATOM 0 HE1 MET A 72 3.983 -8.597 1.400 1.00 3.08 H new ATOM 0 HE2 MET A 72 2.856 -8.197 0.083 1.00 3.08 H new ATOM 0 HE3 MET A 72 3.780 -9.717 0.033 1.00 3.08 H new ATOM 1078 N ALA A 73 6.974 -8.740 -3.404 1.00 0.86 N ATOM 1079 CA ALA A 73 7.890 -9.786 -3.016 1.00 0.79 C ATOM 1080 C ALA A 73 9.074 -9.732 -3.971 1.00 0.71 C ATOM 1081 O ALA A 73 10.132 -10.304 -3.696 1.00 0.68 O ATOM 1082 CB ALA A 73 7.219 -11.151 -3.049 1.00 0.80 C ATOM 0 H ALA A 73 6.184 -9.072 -3.957 1.00 0.86 H new ATOM 0 HA ALA A 73 8.223 -9.633 -1.989 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.936 -11.916 -2.752 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.374 -11.158 -2.360 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.865 -11.358 -4.059 1.00 0.80 H new ATOM 1088 N ARG A 74 8.868 -9.040 -5.128 1.00 0.72 N ATOM 1089 CA ARG A 74 9.890 -8.833 -6.092 1.00 0.71 C ATOM 1090 C ARG A 74 10.831 -7.757 -5.591 1.00 0.73 C ATOM 1091 O ARG A 74 12.045 -7.890 -5.718 1.00 0.68 O ATOM 1092 CB ARG A 74 9.225 -8.399 -7.395 1.00 0.83 C ATOM 1093 CG ARG A 74 10.171 -7.865 -8.440 1.00 0.91 C ATOM 1094 CD ARG A 74 10.871 -8.969 -9.226 1.00 1.12 C ATOM 1095 NE ARG A 74 11.746 -8.428 -10.272 1.00 1.47 N ATOM 1096 CZ ARG A 74 12.445 -9.171 -11.143 1.00 1.90 C ATOM 1097 NH1 ARG A 74 12.389 -10.502 -11.114 1.00 2.18 N ATOM 1098 NH2 ARG A 74 13.206 -8.574 -12.050 1.00 2.55 N ATOM 0 H ARG A 74 7.971 -8.625 -5.381 1.00 0.72 H new ATOM 0 HA ARG A 74 10.464 -9.745 -6.259 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.687 -9.250 -7.813 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.484 -7.632 -7.170 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.619 -7.228 -9.131 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.921 -7.238 -7.958 1.00 0.91 H new ATOM 0 HD2 ARG A 74 11.458 -9.583 -8.544 1.00 1.12 H new ATOM 0 HD3 ARG A 74 10.124 -9.621 -9.679 1.00 1.12 H new ATOM 0 HE ARG A 74 11.829 -7.414 -10.342 1.00 1.47 H new ATOM 0 HH11 ARG A 74 11.807 -10.973 -10.421 1.00 2.18 H new ATOM 0 HH12 ARG A 74 12.928 -11.050 -11.785 1.00 2.18 H new ATOM 0 HH21 ARG A 74 13.257 -7.556 -12.082 1.00 2.55 H new ATOM 0 HH22 ARG A 74 13.740 -9.133 -12.715 1.00 2.55 H new ATOM 1112 N LYS A 75 10.250 -6.671 -5.046 1.00 0.86 N ATOM 1113 CA LYS A 75 11.029 -5.588 -4.470 1.00 0.95 C ATOM 1114 C LYS A 75 11.943 -6.136 -3.364 1.00 0.90 C ATOM 1115 O LYS A 75 12.889 -5.478 -2.924 1.00 0.96 O ATOM 1116 CB LYS A 75 10.085 -4.508 -3.949 1.00 1.19 C ATOM 1117 CG LYS A 75 8.884 -4.316 -4.870 1.00 1.28 C ATOM 1118 CD LYS A 75 9.214 -3.496 -6.108 1.00 1.40 C ATOM 1119 CE LYS A 75 9.044 -1.992 -5.891 1.00 2.25 C ATOM 1120 NZ LYS A 75 10.094 -1.429 -4.994 1.00 2.99 N ATOM 0 H LYS A 75 9.241 -6.532 -4.999 1.00 0.86 H new ATOM 0 HA LYS A 75 11.668 -5.138 -5.230 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.739 -4.778 -2.951 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.626 -3.566 -3.855 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.507 -5.292 -5.176 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.083 -3.825 -4.317 1.00 1.28 H new ATOM 0 HD2 LYS A 75 10.241 -3.700 -6.409 1.00 1.40 H new ATOM 0 HD3 LYS A 75 8.572 -3.814 -6.929 1.00 1.40 H new ATOM 0 HE2 LYS A 75 9.079 -1.482 -6.854 1.00 2.25 H new ATOM 0 HE3 LYS A 75 8.061 -1.797 -5.463 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 10.111 -0.393 -5.087 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 9.882 -1.685 -4.008 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 11.022 -1.816 -5.260 1.00 2.99 H new ATOM 1134 N MET A 76 11.610 -7.371 -2.934 1.00 0.85 N ATOM 1135 CA MET A 76 12.364 -8.120 -1.946 1.00 0.93 C ATOM 1136 C MET A 76 13.536 -8.826 -2.631 1.00 0.83 C ATOM 1137 O MET A 76 14.655 -8.829 -2.110 1.00 0.93 O ATOM 1138 CB MET A 76 11.488 -9.165 -1.250 1.00 1.07 C ATOM 1139 CG MET A 76 10.316 -8.574 -0.496 1.00 0.96 C ATOM 1140 SD MET A 76 10.796 -7.774 1.050 1.00 1.64 S ATOM 1141 CE MET A 76 10.963 -9.185 2.143 1.00 2.37 C ATOM 0 H MET A 76 10.791 -7.872 -3.280 1.00 0.85 H new ATOM 0 HA MET A 76 12.728 -7.420 -1.194 1.00 0.93 H new ATOM 0 HB2 MET A 76 11.112 -9.866 -1.996 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.103 -9.738 -0.556 1.00 1.07 H new ATOM 0 HG2 MET A 76 9.812 -7.847 -1.133 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.595 -9.363 -0.281 1.00 0.96 H new ATOM 0 HE1 MET A 76 11.256 -8.844 3.136 1.00 2.37 H new ATOM 0 HE2 MET A 76 10.010 -9.711 2.207 1.00 2.37 H new ATOM 0 HE3 MET A 76 11.724 -9.860 1.752 1.00 2.37 H new ATOM 1151 N LYS A 77 13.259 -9.428 -3.815 1.00 0.72 N ATOM 1152 CA LYS A 77 14.288 -10.124 -4.586 1.00 0.79 C ATOM 1153 C LYS A 77 15.080 -9.156 -5.490 1.00 0.78 C ATOM 1154 O LYS A 77 16.116 -9.520 -6.054 1.00 0.91 O ATOM 1155 CB LYS A 77 13.667 -11.293 -5.373 1.00 0.86 C ATOM 1156 CG LYS A 77 12.739 -10.925 -6.527 1.00 0.76 C ATOM 1157 CD LYS A 77 11.410 -11.682 -6.422 1.00 0.89 C ATOM 1158 CE LYS A 77 11.555 -13.181 -6.701 1.00 0.96 C ATOM 1159 NZ LYS A 77 10.251 -13.892 -6.601 1.00 1.75 N ATOM 0 H LYS A 77 12.334 -9.439 -4.244 1.00 0.72 H new ATOM 0 HA LYS A 77 15.014 -10.545 -3.890 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.477 -11.905 -5.770 1.00 0.86 H new ATOM 0 HB3 LYS A 77 13.110 -11.916 -4.674 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.552 -9.851 -6.521 1.00 0.76 H new ATOM 0 HG3 LYS A 77 13.222 -11.159 -7.476 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.996 -11.542 -5.424 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.697 -11.254 -7.126 1.00 0.89 H new ATOM 0 HE2 LYS A 77 11.972 -13.326 -7.697 1.00 0.96 H new ATOM 0 HE3 LYS A 77 12.261 -13.616 -5.993 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 10.391 -14.904 -6.797 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.864 -13.775 -5.643 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.585 -13.495 -7.294 1.00 1.75 H new ATOM 1173 N ASP A 78 14.561 -7.930 -5.606 1.00 0.74 N ATOM 1174 CA ASP A 78 15.176 -6.862 -6.393 1.00 0.79 C ATOM 1175 C ASP A 78 15.399 -5.636 -5.497 1.00 0.77 C ATOM 1176 O ASP A 78 14.435 -5.025 -5.022 1.00 0.80 O ATOM 1177 CB ASP A 78 14.268 -6.509 -7.582 1.00 0.84 C ATOM 1178 CG ASP A 78 15.019 -5.862 -8.732 1.00 1.19 C ATOM 1179 OD1 ASP A 78 15.920 -6.518 -9.298 1.00 1.66 O ATOM 1180 OD2 ASP A 78 14.700 -4.704 -9.072 1.00 1.92 O ATOM 0 H ASP A 78 13.692 -7.650 -5.150 1.00 0.74 H new ATOM 0 HA ASP A 78 16.139 -7.194 -6.781 1.00 0.79 H new ATOM 0 HB2 ASP A 78 13.778 -7.415 -7.939 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.482 -5.834 -7.244 1.00 0.84 H new ATOM 1185 N THR A 79 16.674 -5.290 -5.260 1.00 0.79 N ATOM 1186 CA THR A 79 17.026 -4.159 -4.399 1.00 0.82 C ATOM 1187 C THR A 79 17.065 -2.830 -5.144 1.00 0.73 C ATOM 1188 O THR A 79 17.742 -1.877 -4.735 1.00 0.78 O ATOM 1189 CB THR A 79 18.352 -4.380 -3.638 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.404 -4.696 -4.557 1.00 1.03 O ATOM 1191 CG2 THR A 79 18.220 -5.491 -2.603 1.00 1.15 C ATOM 0 H THR A 79 17.476 -5.780 -5.655 1.00 0.79 H new ATOM 0 HA THR A 79 16.220 -4.105 -3.667 1.00 0.82 H new ATOM 0 HB THR A 79 18.594 -3.454 -3.116 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.240 -4.832 -4.063 1.00 1.03 H new ATOM 0 HG21 THR A 79 19.170 -5.621 -2.085 1.00 1.15 H new ATOM 0 HG22 THR A 79 17.447 -5.226 -1.881 1.00 1.15 H new ATOM 0 HG23 THR A 79 17.948 -6.422 -3.101 1.00 1.15 H new ATOM 1199 N ASP A 80 16.308 -2.781 -6.226 1.00 0.66 N ATOM 1200 CA ASP A 80 16.167 -1.580 -7.041 1.00 0.67 C ATOM 1201 C ASP A 80 15.055 -0.692 -6.462 1.00 0.66 C ATOM 1202 O ASP A 80 14.670 0.322 -7.052 1.00 0.74 O ATOM 1203 CB ASP A 80 15.862 -1.949 -8.499 1.00 0.77 C ATOM 1204 CG ASP A 80 17.049 -2.578 -9.204 1.00 1.18 C ATOM 1205 OD1 ASP A 80 17.824 -1.834 -9.842 1.00 1.72 O ATOM 1206 OD2 ASP A 80 17.204 -3.814 -9.118 1.00 1.86 O ATOM 0 H ASP A 80 15.769 -3.576 -6.569 1.00 0.66 H new ATOM 0 HA ASP A 80 17.106 -1.027 -7.025 1.00 0.67 H new ATOM 0 HB2 ASP A 80 15.020 -2.641 -8.526 1.00 0.77 H new ATOM 0 HB3 ASP A 80 15.556 -1.053 -9.040 1.00 0.77 H new ATOM 1211 N SER A 81 14.581 -1.091 -5.268 1.00 0.67 N ATOM 1212 CA SER A 81 13.502 -0.409 -4.543 1.00 0.75 C ATOM 1213 C SER A 81 13.899 0.987 -4.028 1.00 0.68 C ATOM 1214 O SER A 81 13.023 1.784 -3.678 1.00 0.76 O ATOM 1215 CB SER A 81 13.063 -1.297 -3.376 1.00 0.92 C ATOM 1216 OG SER A 81 12.066 -0.675 -2.578 1.00 1.07 O ATOM 0 H SER A 81 14.944 -1.907 -4.776 1.00 0.67 H new ATOM 0 HA SER A 81 12.682 -0.249 -5.243 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.680 -2.241 -3.763 1.00 0.92 H new ATOM 0 HB3 SER A 81 13.928 -1.534 -2.756 1.00 0.92 H new ATOM 0 HG SER A 81 11.812 -1.275 -1.846 1.00 1.07 H new ATOM 1222 N GLU A 82 15.211 1.279 -3.983 1.00 0.62 N ATOM 1223 CA GLU A 82 15.707 2.586 -3.515 1.00 0.63 C ATOM 1224 C GLU A 82 15.387 3.692 -4.533 1.00 0.57 C ATOM 1225 O GLU A 82 15.130 4.839 -4.155 1.00 0.58 O ATOM 1226 CB GLU A 82 17.218 2.526 -3.255 1.00 0.72 C ATOM 1227 CG GLU A 82 17.726 3.606 -2.304 1.00 0.78 C ATOM 1228 CD GLU A 82 19.228 3.547 -2.101 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.673 2.842 -1.172 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.957 4.205 -2.872 1.00 2.12 O ATOM 0 H GLU A 82 15.945 0.629 -4.264 1.00 0.62 H new ATOM 0 HA GLU A 82 15.199 2.824 -2.580 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.467 1.548 -2.844 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.744 2.616 -4.205 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.455 4.586 -2.696 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.229 3.499 -1.340 1.00 0.78 H new ATOM 1237 N GLU A 83 15.409 3.323 -5.818 1.00 0.55 N ATOM 1238 CA GLU A 83 15.108 4.250 -6.913 1.00 0.58 C ATOM 1239 C GLU A 83 13.603 4.280 -7.206 1.00 0.59 C ATOM 1240 O GLU A 83 13.098 5.237 -7.799 1.00 0.65 O ATOM 1241 CB GLU A 83 15.877 3.843 -8.176 1.00 0.64 C ATOM 1242 CG GLU A 83 17.373 4.117 -8.103 1.00 0.71 C ATOM 1243 CD GLU A 83 18.095 3.754 -9.386 1.00 0.94 C ATOM 1244 OE1 GLU A 83 18.208 4.629 -10.270 1.00 1.76 O ATOM 1245 OE2 GLU A 83 18.547 2.597 -9.506 1.00 1.27 O ATOM 0 H GLU A 83 15.635 2.378 -6.127 1.00 0.55 H new ATOM 0 HA GLU A 83 15.420 5.249 -6.609 1.00 0.58 H new ATOM 0 HB2 GLU A 83 15.721 2.780 -8.358 1.00 0.64 H new ATOM 0 HB3 GLU A 83 15.461 4.377 -9.031 1.00 0.64 H new ATOM 0 HG2 GLU A 83 17.535 5.173 -7.885 1.00 0.71 H new ATOM 0 HG3 GLU A 83 17.802 3.551 -7.276 1.00 0.71 H new ATOM 1252 N GLU A 84 12.904 3.217 -6.781 1.00 0.60 N ATOM 1253 CA GLU A 84 11.453 3.080 -6.981 1.00 0.68 C ATOM 1254 C GLU A 84 10.654 3.746 -5.857 1.00 0.63 C ATOM 1255 O GLU A 84 9.542 4.218 -6.086 1.00 0.69 O ATOM 1256 CB GLU A 84 11.043 1.597 -7.049 1.00 0.80 C ATOM 1257 CG GLU A 84 11.854 0.739 -8.018 1.00 1.14 C ATOM 1258 CD GLU A 84 11.426 0.908 -9.465 1.00 1.74 C ATOM 1259 OE1 GLU A 84 10.545 0.146 -9.916 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.971 1.802 -10.146 1.00 2.31 O ATOM 0 H GLU A 84 13.327 2.430 -6.290 1.00 0.60 H new ATOM 0 HA GLU A 84 11.226 3.577 -7.924 1.00 0.68 H new ATOM 0 HB2 GLU A 84 11.128 1.168 -6.051 1.00 0.80 H new ATOM 0 HB3 GLU A 84 9.992 1.540 -7.332 1.00 0.80 H new ATOM 0 HG2 GLU A 84 12.909 0.996 -7.925 1.00 1.14 H new ATOM 0 HG3 GLU A 84 11.755 -0.309 -7.736 1.00 1.14 H new ATOM 1267 N ILE A 85 11.237 3.786 -4.646 1.00 0.57 N ATOM 1268 CA ILE A 85 10.576 4.347 -3.453 1.00 0.54 C ATOM 1269 C ILE A 85 10.298 5.870 -3.553 1.00 0.50 C ATOM 1270 O ILE A 85 9.417 6.381 -2.854 1.00 0.50 O ATOM 1271 CB ILE A 85 11.388 3.987 -2.161 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.526 4.127 -0.897 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.668 4.814 -2.020 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.576 2.914 0.004 1.00 0.57 C ATOM 0 H ILE A 85 12.176 3.432 -4.466 1.00 0.57 H new ATOM 0 HA ILE A 85 9.592 3.882 -3.391 1.00 0.54 H new ATOM 0 HB ILE A 85 11.682 2.943 -2.271 1.00 0.54 H new ATOM 0 HG12 ILE A 85 10.857 5.001 -0.336 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.492 4.310 -1.190 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.190 4.523 -1.109 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.313 4.636 -2.880 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.414 5.873 -1.970 1.00 0.57 H new ATOM 0 HD11 ILE A 85 9.945 3.083 0.876 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.217 2.041 -0.541 1.00 0.57 H new ATOM 0 HD13 ILE A 85 11.603 2.743 0.327 1.00 0.57 H new ATOM 1286 N ARG A 86 11.046 6.574 -4.414 1.00 0.50 N ATOM 1287 CA ARG A 86 10.862 8.027 -4.603 1.00 0.50 C ATOM 1288 C ARG A 86 9.771 8.321 -5.635 1.00 0.52 C ATOM 1289 O ARG A 86 9.108 9.360 -5.561 1.00 0.53 O ATOM 1290 CB ARG A 86 12.171 8.728 -4.999 1.00 0.54 C ATOM 1291 CG ARG A 86 13.171 7.838 -5.709 1.00 1.10 C ATOM 1292 CD ARG A 86 14.322 8.650 -6.273 1.00 1.26 C ATOM 1293 NE ARG A 86 15.186 7.852 -7.150 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.313 8.299 -7.724 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.740 9.545 -7.526 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.012 7.491 -8.508 1.00 2.95 N ATOM 0 H ARG A 86 11.782 6.166 -4.990 1.00 0.50 H new ATOM 0 HA ARG A 86 10.547 8.429 -3.640 1.00 0.50 H new ATOM 0 HB2 ARG A 86 11.934 9.574 -5.644 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.638 9.133 -4.101 1.00 0.54 H new ATOM 0 HG2 ARG A 86 13.555 7.091 -5.014 1.00 1.10 H new ATOM 0 HG3 ARG A 86 12.674 7.298 -6.515 1.00 1.10 H new ATOM 0 HD2 ARG A 86 13.927 9.499 -6.830 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.915 9.055 -5.453 1.00 1.26 H new ATOM 0 HE ARG A 86 14.910 6.888 -7.337 1.00 1.79 H new ATOM 0 HH11 ARG A 86 16.207 10.178 -6.929 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.600 9.866 -7.971 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.692 6.536 -8.671 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.870 7.824 -8.948 1.00 2.95 H new ATOM 1310 N GLU A 87 9.603 7.409 -6.602 1.00 0.57 N ATOM 1311 CA GLU A 87 8.554 7.533 -7.627 1.00 0.63 C ATOM 1312 C GLU A 87 7.274 6.913 -7.097 1.00 0.62 C ATOM 1313 O GLU A 87 6.169 7.327 -7.456 1.00 0.65 O ATOM 1314 CB GLU A 87 8.979 6.865 -8.937 1.00 0.73 C ATOM 1315 CG GLU A 87 10.181 7.524 -9.599 1.00 0.77 C ATOM 1316 CD GLU A 87 10.625 6.802 -10.856 1.00 1.39 C ATOM 1317 OE1 GLU A 87 11.478 5.896 -10.751 1.00 2.08 O ATOM 1318 OE2 GLU A 87 10.119 7.143 -11.946 1.00 2.02 O ATOM 0 H GLU A 87 10.181 6.574 -6.697 1.00 0.57 H new ATOM 0 HA GLU A 87 8.387 8.588 -7.843 1.00 0.63 H new ATOM 0 HB2 GLU A 87 9.212 5.818 -8.742 1.00 0.73 H new ATOM 0 HB3 GLU A 87 8.139 6.881 -9.632 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.934 8.557 -9.846 1.00 0.77 H new ATOM 0 HG3 GLU A 87 11.009 7.555 -8.891 1.00 0.77 H new ATOM 1325 N ALA A 88 7.455 5.905 -6.231 1.00 0.60 N ATOM 1326 CA ALA A 88 6.352 5.255 -5.531 1.00 0.62 C ATOM 1327 C ALA A 88 5.819 6.232 -4.487 1.00 0.55 C ATOM 1328 O ALA A 88 4.730 6.061 -3.944 1.00 0.56 O ATOM 1329 CB ALA A 88 6.788 3.938 -4.913 1.00 0.70 C ATOM 0 H ALA A 88 8.372 5.522 -6.001 1.00 0.60 H new ATOM 0 HA ALA A 88 5.556 5.004 -6.232 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.943 3.480 -4.399 1.00 0.70 H new ATOM 0 HB2 ALA A 88 7.143 3.268 -5.696 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.592 4.119 -4.199 1.00 0.70 H new ATOM 1335 N PHE A 89 6.663 7.244 -4.191 1.00 0.51 N ATOM 1336 CA PHE A 89 6.314 8.347 -3.294 1.00 0.49 C ATOM 1337 C PHE A 89 5.310 9.232 -4.002 1.00 0.47 C ATOM 1338 O PHE A 89 4.321 9.680 -3.413 1.00 0.47 O ATOM 1339 CB PHE A 89 7.509 9.255 -2.996 1.00 0.51 C ATOM 1340 CG PHE A 89 7.423 9.945 -1.669 1.00 0.53 C ATOM 1341 CD1 PHE A 89 6.861 11.202 -1.592 1.00 1.27 C ATOM 1342 CD2 PHE A 89 7.888 9.345 -0.511 1.00 1.19 C ATOM 1343 CE1 PHE A 89 6.761 11.856 -0.391 1.00 1.29 C ATOM 1344 CE2 PHE A 89 7.792 9.997 0.702 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.225 11.258 0.760 1.00 0.65 C ATOM 0 H PHE A 89 7.606 7.311 -4.573 1.00 0.51 H new ATOM 0 HA PHE A 89 5.942 7.904 -2.370 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.423 8.661 -3.029 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.589 10.006 -3.782 1.00 0.51 H new ATOM 0 HD1 PHE A 89 6.495 11.678 -2.490 1.00 1.27 H new ATOM 0 HD2 PHE A 89 8.329 8.360 -0.557 1.00 1.19 H new ATOM 0 HE1 PHE A 89 6.318 12.840 -0.347 1.00 1.29 H new ATOM 0 HE2 PHE A 89 8.158 9.525 1.602 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.146 11.773 1.706 1.00 0.65 H new ATOM 1355 N ARG A 90 5.596 9.474 -5.301 1.00 0.50 N ATOM 1356 CA ARG A 90 4.764 10.319 -6.138 1.00 0.54 C ATOM 1357 C ARG A 90 3.344 9.757 -6.280 1.00 0.54 C ATOM 1358 O ARG A 90 2.423 10.459 -6.706 1.00 0.60 O ATOM 1359 CB ARG A 90 5.401 10.471 -7.515 1.00 0.62 C ATOM 1360 CG ARG A 90 5.429 11.899 -8.024 1.00 1.26 C ATOM 1361 CD ARG A 90 5.496 11.930 -9.538 1.00 1.50 C ATOM 1362 NE ARG A 90 5.542 13.299 -10.063 1.00 2.03 N ATOM 1363 CZ ARG A 90 5.676 13.617 -11.359 1.00 2.50 C ATOM 1364 NH1 ARG A 90 5.780 12.673 -12.293 1.00 2.61 N ATOM 1365 NH2 ARG A 90 5.706 14.892 -11.720 1.00 3.17 N ATOM 0 H ARG A 90 6.408 9.085 -5.781 1.00 0.50 H new ATOM 0 HA ARG A 90 4.689 11.294 -5.657 1.00 0.54 H new ATOM 0 HB2 ARG A 90 6.421 10.089 -7.477 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.855 9.852 -8.227 1.00 0.62 H new ATOM 0 HG2 ARG A 90 4.539 12.428 -7.684 1.00 1.26 H new ATOM 0 HG3 ARG A 90 6.290 12.422 -7.607 1.00 1.26 H new ATOM 0 HD2 ARG A 90 6.379 11.385 -9.872 1.00 1.50 H new ATOM 0 HD3 ARG A 90 4.628 11.414 -9.949 1.00 1.50 H new ATOM 0 HE ARG A 90 5.467 14.065 -9.394 1.00 2.03 H new ATOM 0 HH11 ARG A 90 5.758 11.688 -12.028 1.00 2.61 H new ATOM 0 HH12 ARG A 90 5.881 12.935 -13.274 1.00 2.61 H new ATOM 0 HH21 ARG A 90 5.627 15.624 -11.014 1.00 3.17 H new ATOM 0 HH22 ARG A 90 5.808 15.141 -12.704 1.00 3.17 H new ATOM 1379 N VAL A 91 3.210 8.472 -5.920 1.00 0.51 N ATOM 1380 CA VAL A 91 1.952 7.726 -5.952 1.00 0.53 C ATOM 1381 C VAL A 91 0.803 8.498 -5.272 1.00 0.54 C ATOM 1382 O VAL A 91 -0.289 8.615 -5.835 1.00 0.60 O ATOM 1383 CB VAL A 91 2.183 6.327 -5.303 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.735 6.245 -3.842 1.00 0.47 C ATOM 1385 CG2 VAL A 91 1.538 5.248 -6.142 1.00 0.59 C ATOM 0 H VAL A 91 3.996 7.912 -5.591 1.00 0.51 H new ATOM 0 HA VAL A 91 1.642 7.592 -6.988 1.00 0.53 H new ATOM 0 HB VAL A 91 3.261 6.166 -5.282 1.00 0.51 H new ATOM 0 HG11 VAL A 91 1.927 5.243 -3.458 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.290 6.973 -3.250 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.669 6.461 -3.776 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.707 4.276 -5.678 1.00 0.59 H new ATOM 0 HG22 VAL A 91 0.466 5.435 -6.214 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.975 5.254 -7.141 1.00 0.59 H new ATOM 1395 N PHE A 92 1.071 9.015 -4.064 1.00 0.49 N ATOM 1396 CA PHE A 92 0.104 9.805 -3.339 1.00 0.54 C ATOM 1397 C PHE A 92 0.544 11.263 -3.330 1.00 0.60 C ATOM 1398 O PHE A 92 -0.289 12.173 -3.357 1.00 0.69 O ATOM 1399 CB PHE A 92 -0.144 9.301 -1.910 1.00 0.53 C ATOM 1400 CG PHE A 92 -1.524 9.665 -1.414 1.00 1.18 C ATOM 1401 CD1 PHE A 92 -1.694 10.597 -0.404 1.00 1.94 C ATOM 1402 CD2 PHE A 92 -2.654 9.095 -1.990 1.00 1.92 C ATOM 1403 CE1 PHE A 92 -2.961 10.952 0.022 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -3.917 9.443 -1.567 1.00 2.68 C ATOM 1405 CZ PHE A 92 -4.073 10.375 -0.561 1.00 2.89 C ATOM 0 H PHE A 92 1.959 8.891 -3.578 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.849 9.707 -3.859 1.00 0.54 H new ATOM 0 HB2 PHE A 92 -0.022 8.218 -1.881 1.00 0.53 H new ATOM 0 HB3 PHE A 92 0.605 9.724 -1.241 1.00 0.53 H new ATOM 0 HD1 PHE A 92 -0.829 11.051 0.056 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -2.539 8.369 -2.781 1.00 1.92 H new ATOM 0 HE1 PHE A 92 -3.081 11.680 0.810 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -4.784 8.987 -2.022 1.00 2.68 H new ATOM 0 HZ PHE A 92 -5.063 10.653 -0.230 1.00 2.89 H new ATOM 1415 N ALA A 93 1.874 11.469 -3.291 1.00 0.57 N ATOM 1416 CA ALA A 93 2.464 12.811 -3.308 1.00 0.66 C ATOM 1417 C ALA A 93 2.247 13.478 -4.670 1.00 0.85 C ATOM 1418 O ALA A 93 2.833 13.058 -5.676 1.00 1.63 O ATOM 1419 CB ALA A 93 3.957 12.772 -2.966 1.00 0.65 C ATOM 0 H ALA A 93 2.559 10.715 -3.247 1.00 0.57 H new ATOM 0 HA ALA A 93 1.961 13.402 -2.543 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.362 13.784 -2.988 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.091 12.349 -1.970 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.482 12.156 -3.696 1.00 0.65 H new ATOM 1425 N LYS A 94 1.388 14.508 -4.696 1.00 1.24 N ATOM 1426 CA LYS A 94 1.082 15.230 -5.941 1.00 1.42 C ATOM 1427 C LYS A 94 2.188 16.200 -6.308 1.00 1.36 C ATOM 1428 O LYS A 94 2.409 16.493 -7.487 1.00 1.78 O ATOM 1429 CB LYS A 94 -0.264 15.956 -5.846 1.00 1.75 C ATOM 1430 CG LYS A 94 -1.468 15.026 -5.862 1.00 2.06 C ATOM 1431 CD LYS A 94 -2.771 15.799 -5.727 1.00 2.52 C ATOM 1432 CE LYS A 94 -3.973 14.869 -5.726 1.00 2.90 C ATOM 1433 NZ LYS A 94 -5.253 15.615 -5.584 1.00 3.37 N ATOM 0 H LYS A 94 0.895 14.858 -3.875 1.00 1.24 H new ATOM 0 HA LYS A 94 1.012 14.487 -6.735 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -0.284 16.545 -4.929 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -0.347 16.657 -6.677 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -1.476 14.456 -6.791 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -1.384 14.307 -5.047 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -2.757 16.379 -4.804 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.860 16.510 -6.548 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -3.988 14.295 -6.653 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -3.878 14.153 -4.909 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -6.048 14.944 -5.588 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -5.250 16.143 -4.688 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -5.357 16.280 -6.377 1.00 3.37 H new ATOM 1447 N ASP A 95 2.868 16.686 -5.286 1.00 1.40 N ATOM 1448 CA ASP A 95 4.003 17.577 -5.460 1.00 1.71 C ATOM 1449 C ASP A 95 5.275 16.742 -5.370 1.00 1.53 C ATOM 1450 O ASP A 95 6.392 17.258 -5.495 1.00 1.84 O ATOM 1451 CB ASP A 95 4.013 18.681 -4.392 1.00 2.30 C ATOM 1452 CG ASP A 95 2.807 19.600 -4.483 1.00 2.81 C ATOM 1453 OD1 ASP A 95 1.782 19.302 -3.834 1.00 3.23 O ATOM 1454 OD2 ASP A 95 2.889 20.617 -5.204 1.00 3.21 O ATOM 0 H ASP A 95 2.650 16.475 -4.312 1.00 1.40 H new ATOM 0 HA ASP A 95 3.936 18.068 -6.431 1.00 1.71 H new ATOM 0 HB2 ASP A 95 4.041 18.223 -3.403 1.00 2.30 H new ATOM 0 HB3 ASP A 95 4.923 19.272 -4.496 1.00 2.30 H new ATOM 1459 N GLY A 96 5.073 15.420 -5.167 1.00 1.38 N ATOM 1460 CA GLY A 96 6.183 14.474 -5.026 1.00 1.83 C ATOM 1461 C GLY A 96 6.958 14.626 -3.714 1.00 1.85 C ATOM 1462 O GLY A 96 7.512 13.651 -3.200 1.00 2.43 O ATOM 0 H GLY A 96 4.149 14.993 -5.099 1.00 1.38 H new ATOM 0 HA2 GLY A 96 5.794 13.458 -5.092 1.00 1.83 H new ATOM 0 HA3 GLY A 96 6.870 14.607 -5.861 1.00 1.83 H new ATOM 1466 N ASN A 97 6.984 15.863 -3.184 1.00 1.55 N ATOM 1467 CA ASN A 97 7.697 16.213 -1.957 1.00 1.99 C ATOM 1468 C ASN A 97 7.104 17.487 -1.319 1.00 1.78 C ATOM 1469 O ASN A 97 6.061 17.983 -1.759 1.00 2.66 O ATOM 1470 CB ASN A 97 9.185 16.448 -2.273 1.00 2.43 C ATOM 1471 CG ASN A 97 9.974 15.163 -2.430 1.00 3.41 C ATOM 1472 OD1 ASN A 97 10.501 14.624 -1.459 1.00 4.01 O ATOM 1473 ND2 ASN A 97 10.067 14.669 -3.660 1.00 4.00 N ATOM 0 H ASN A 97 6.500 16.654 -3.608 1.00 1.55 H new ATOM 0 HA ASN A 97 7.591 15.388 -1.252 1.00 1.99 H new ATOM 0 HB2 ASN A 97 9.267 17.031 -3.190 1.00 2.43 H new ATOM 0 HB3 ASN A 97 9.629 17.044 -1.476 1.00 2.43 H new ATOM 0 HD21 ASN A 97 10.591 13.810 -3.826 1.00 4.00 H new ATOM 0 HD22 ASN A 97 9.614 15.149 -4.438 1.00 4.00 H new ATOM 1480 N GLY A 98 7.786 17.999 -0.280 1.00 1.20 N ATOM 1481 CA GLY A 98 7.374 19.215 0.401 1.00 1.80 C ATOM 1482 C GLY A 98 6.831 18.955 1.787 1.00 1.46 C ATOM 1483 O GLY A 98 7.479 19.286 2.783 1.00 1.68 O ATOM 0 H GLY A 98 8.632 17.576 0.101 1.00 1.20 H new ATOM 0 HA2 GLY A 98 8.225 19.893 0.470 1.00 1.80 H new ATOM 0 HA3 GLY A 98 6.612 19.719 -0.194 1.00 1.80 H new ATOM 1487 N TYR A 99 5.650 18.341 1.839 1.00 1.07 N ATOM 1488 CA TYR A 99 4.962 18.026 3.107 1.00 0.84 C ATOM 1489 C TYR A 99 3.922 16.927 2.895 1.00 0.81 C ATOM 1490 O TYR A 99 2.979 17.095 2.112 1.00 0.96 O ATOM 1491 CB TYR A 99 4.264 19.269 3.703 1.00 1.07 C ATOM 1492 CG TYR A 99 5.197 20.250 4.385 1.00 1.57 C ATOM 1493 CD1 TYR A 99 5.612 21.406 3.736 1.00 2.28 C ATOM 1494 CD2 TYR A 99 5.657 20.023 5.677 1.00 2.37 C ATOM 1495 CE1 TYR A 99 6.460 22.307 4.354 1.00 3.13 C ATOM 1496 CE2 TYR A 99 6.505 20.918 6.301 1.00 3.24 C ATOM 1497 CZ TYR A 99 6.903 22.058 5.635 1.00 3.46 C ATOM 1498 OH TYR A 99 7.746 22.953 6.253 1.00 4.47 O ATOM 0 H TYR A 99 5.137 18.045 1.009 1.00 1.07 H new ATOM 0 HA TYR A 99 5.725 17.684 3.807 1.00 0.84 H new ATOM 0 HB2 TYR A 99 3.732 19.788 2.906 1.00 1.07 H new ATOM 0 HB3 TYR A 99 3.516 18.939 4.423 1.00 1.07 H new ATOM 0 HD1 TYR A 99 5.267 21.604 2.732 1.00 2.28 H new ATOM 0 HD2 TYR A 99 5.346 19.132 6.202 1.00 2.37 H new ATOM 0 HE1 TYR A 99 6.773 23.201 3.835 1.00 3.13 H new ATOM 0 HE2 TYR A 99 6.854 20.726 7.305 1.00 3.24 H new ATOM 0 HH TYR A 99 7.964 22.630 7.152 1.00 4.47 H new ATOM 1508 N ILE A 100 4.110 15.800 3.588 1.00 1.17 N ATOM 1509 CA ILE A 100 3.195 14.656 3.486 1.00 1.39 C ATOM 1510 C ILE A 100 2.826 14.167 4.899 1.00 1.13 C ATOM 1511 O ILE A 100 3.584 13.439 5.544 1.00 1.43 O ATOM 1512 CB ILE A 100 3.818 13.498 2.624 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.212 13.991 1.217 1.00 2.36 C ATOM 1514 CG2 ILE A 100 2.857 12.319 2.484 1.00 2.84 C ATOM 1515 CD1 ILE A 100 5.583 14.640 1.142 1.00 3.08 C ATOM 0 H ILE A 100 4.890 15.654 4.228 1.00 1.17 H new ATOM 0 HA ILE A 100 2.287 14.976 2.975 1.00 1.39 H new ATOM 0 HB ILE A 100 4.712 13.168 3.153 1.00 2.12 H new ATOM 0 HG12 ILE A 100 4.185 13.147 0.528 1.00 2.36 H new ATOM 0 HG13 ILE A 100 3.465 14.707 0.873 1.00 2.36 H new ATOM 0 HG21 ILE A 100 3.323 11.539 1.882 1.00 2.84 H new ATOM 0 HG22 ILE A 100 2.621 11.923 3.472 1.00 2.84 H new ATOM 0 HG23 ILE A 100 1.940 12.653 1.998 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.780 14.957 0.118 1.00 3.08 H new ATOM 0 HD12 ILE A 100 5.612 15.507 1.802 1.00 3.08 H new ATOM 0 HD13 ILE A 100 6.343 13.922 1.452 1.00 3.08 H new ATOM 1527 N SER A 101 1.638 14.572 5.352 1.00 0.79 N ATOM 1528 CA SER A 101 1.125 14.236 6.677 1.00 0.64 C ATOM 1529 C SER A 101 0.620 12.819 6.795 1.00 0.64 C ATOM 1530 O SER A 101 0.109 12.230 5.841 1.00 0.70 O ATOM 1531 CB SER A 101 0.008 15.219 7.050 1.00 0.71 C ATOM 1532 OG SER A 101 -0.408 15.057 8.397 1.00 1.45 O ATOM 0 H SER A 101 1.001 15.148 4.802 1.00 0.79 H new ATOM 0 HA SER A 101 1.964 14.316 7.368 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.357 16.240 6.898 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.844 15.071 6.386 1.00 0.71 H new ATOM 0 HG SER A 101 0.219 14.467 8.864 1.00 1.45 H new ATOM 1538 N ALA A 102 0.797 12.288 8.012 1.00 0.72 N ATOM 1539 CA ALA A 102 0.319 10.962 8.378 1.00 0.83 C ATOM 1540 C ALA A 102 -1.200 11.011 8.497 1.00 0.77 C ATOM 1541 O ALA A 102 -1.873 9.984 8.549 1.00 0.87 O ATOM 1542 CB ALA A 102 0.952 10.501 9.678 1.00 1.01 C ATOM 0 H ALA A 102 1.279 12.774 8.769 1.00 0.72 H new ATOM 0 HA ALA A 102 0.602 10.243 7.609 1.00 0.83 H new ATOM 0 HB1 ALA A 102 0.580 9.508 9.932 1.00 1.01 H new ATOM 0 HB2 ALA A 102 2.035 10.464 9.562 1.00 1.01 H new ATOM 0 HB3 ALA A 102 0.696 11.199 10.475 1.00 1.01 H new ATOM 1548 N ALA A 103 -1.716 12.254 8.542 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.155 12.523 8.608 1.00 0.71 C ATOM 1550 C ALA A 103 -3.814 12.192 7.266 1.00 0.64 C ATOM 1551 O ALA A 103 -5.036 12.046 7.175 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.410 13.974 8.988 1.00 0.84 C ATOM 0 H ALA A 103 -1.142 13.097 8.533 1.00 0.68 H new ATOM 0 HA ALA A 103 -3.595 11.888 9.377 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.484 14.155 9.032 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -2.967 14.178 9.963 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.962 14.630 8.242 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.962 12.080 6.227 1.00 0.59 N ATOM 1559 CA GLU A 104 -3.372 11.741 4.861 1.00 0.69 C ATOM 1560 C GLU A 104 -4.069 10.376 4.785 1.00 0.67 C ATOM 1561 O GLU A 104 -4.714 10.066 3.782 1.00 0.74 O ATOM 1562 CB GLU A 104 -2.182 11.809 3.921 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.796 13.240 3.556 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.686 13.322 2.526 1.00 1.24 C ATOM 1565 OE1 GLU A 104 0.354 13.938 2.833 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.859 12.784 1.412 1.00 1.65 O ATOM 0 H GLU A 104 -1.957 12.226 6.321 1.00 0.59 H new ATOM 0 HA GLU A 104 -4.107 12.481 4.544 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -1.329 11.315 4.386 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -2.413 11.256 3.010 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.675 13.759 3.174 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -1.483 13.765 4.458 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.890 9.545 5.842 1.00 0.68 N ATOM 1574 CA LEU A 105 -4.539 8.227 5.969 1.00 0.80 C ATOM 1575 C LEU A 105 -6.028 8.279 5.681 1.00 0.68 C ATOM 1576 O LEU A 105 -6.633 7.299 5.236 1.00 0.69 O ATOM 1577 CB LEU A 105 -4.332 7.697 7.382 1.00 1.07 C ATOM 1578 CG LEU A 105 -3.281 6.609 7.518 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -2.166 7.069 8.434 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -3.923 5.329 8.032 1.00 1.81 C ATOM 0 H LEU A 105 -3.287 9.777 6.631 1.00 0.68 H new ATOM 0 HA LEU A 105 -4.080 7.570 5.231 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -4.055 8.530 8.028 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -5.282 7.310 7.750 1.00 1.07 H new ATOM 0 HG LEU A 105 -2.848 6.404 6.539 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -1.419 6.280 8.523 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -1.701 7.964 8.020 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -2.574 7.295 9.419 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -3.163 4.553 8.127 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -4.376 5.515 9.006 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -4.691 5.001 7.332 1.00 1.81 H new ATOM 1592 N ARG A 106 -6.585 9.440 5.947 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.987 9.716 5.751 1.00 0.68 C ATOM 1594 C ARG A 106 -8.279 10.129 4.300 1.00 0.66 C ATOM 1595 O ARG A 106 -9.398 9.955 3.817 1.00 0.74 O ATOM 1596 CB ARG A 106 -8.377 10.772 6.782 1.00 0.79 C ATOM 1597 CG ARG A 106 -8.033 12.221 6.421 1.00 0.97 C ATOM 1598 CD ARG A 106 -8.452 13.191 7.518 1.00 1.46 C ATOM 1599 NE ARG A 106 -9.908 13.386 7.564 1.00 1.70 N ATOM 1600 CZ ARG A 106 -10.542 14.209 8.412 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -9.868 14.933 9.303 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -11.863 14.306 8.364 1.00 2.39 N ATOM 0 H ARG A 106 -6.062 10.235 6.314 1.00 0.65 H new ATOM 0 HA ARG A 106 -8.597 8.826 5.905 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -9.452 10.706 6.952 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -7.889 10.528 7.726 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -6.960 12.308 6.249 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -8.528 12.491 5.488 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -8.107 12.817 8.482 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.964 14.152 7.356 1.00 1.46 H new ATOM 0 HE ARG A 106 -10.477 12.857 6.903 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -8.851 14.867 9.349 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -10.368 15.553 9.939 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -12.390 13.757 7.685 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -12.352 14.930 9.006 1.00 2.39 H new ATOM 1616 N HIS A 107 -7.256 10.677 3.618 1.00 0.67 N ATOM 1617 CA HIS A 107 -7.389 11.087 2.220 1.00 0.82 C ATOM 1618 C HIS A 107 -7.116 9.918 1.261 1.00 0.87 C ATOM 1619 O HIS A 107 -7.749 9.828 0.205 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.439 12.252 1.925 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.909 13.164 0.829 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -7.407 14.428 1.067 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.950 12.994 -0.515 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -7.735 14.995 -0.081 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.467 14.146 -1.055 1.00 1.46 N ATOM 0 H HIS A 107 -6.332 10.843 4.017 1.00 0.67 H new ATOM 0 HA HIS A 107 -8.417 11.412 2.059 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -6.303 12.836 2.836 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.462 11.851 1.655 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -6.635 12.116 -1.060 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -8.151 15.984 -0.201 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -7.619 14.318 -2.049 1.00 1.46 H new ATOM 1634 N VAL A 108 -6.175 9.025 1.631 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.838 7.854 0.799 1.00 1.11 C ATOM 1636 C VAL A 108 -7.002 6.850 0.746 1.00 0.96 C ATOM 1637 O VAL A 108 -7.161 6.143 -0.254 1.00 0.99 O ATOM 1638 CB VAL A 108 -4.556 7.085 1.265 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -4.016 6.209 0.135 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.447 8.011 1.753 1.00 0.86 C ATOM 0 H VAL A 108 -5.638 9.093 2.496 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.639 8.272 -0.188 1.00 1.11 H new ATOM 0 HB VAL A 108 -4.864 6.467 2.108 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -3.125 5.682 0.477 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -4.776 5.485 -0.159 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.762 6.835 -0.721 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -2.587 7.417 2.062 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -3.153 8.683 0.947 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.807 8.595 2.600 1.00 0.86 H new ATOM 1650 N MET A 109 -7.807 6.794 1.820 1.00 0.88 N ATOM 1651 CA MET A 109 -8.939 5.863 1.882 1.00 0.80 C ATOM 1652 C MET A 109 -10.187 6.420 1.195 1.00 0.72 C ATOM 1653 O MET A 109 -10.975 5.658 0.631 1.00 0.73 O ATOM 1654 CB MET A 109 -9.206 5.397 3.332 1.00 0.80 C ATOM 1655 CG MET A 109 -9.618 6.484 4.315 1.00 1.72 C ATOM 1656 SD MET A 109 -11.251 7.190 4.009 1.00 2.24 S ATOM 1657 CE MET A 109 -11.412 8.296 5.408 1.00 3.24 C ATOM 0 H MET A 109 -7.694 7.378 2.649 1.00 0.88 H new ATOM 0 HA MET A 109 -8.663 4.975 1.314 1.00 0.80 H new ATOM 0 HB2 MET A 109 -9.988 4.638 3.311 1.00 0.80 H new ATOM 0 HB3 MET A 109 -8.304 4.915 3.710 1.00 0.80 H new ATOM 0 HG2 MET A 109 -9.598 6.071 5.323 1.00 1.72 H new ATOM 0 HG3 MET A 109 -8.878 7.284 4.283 1.00 1.72 H new ATOM 0 HE1 MET A 109 -12.405 8.189 5.844 1.00 3.24 H new ATOM 0 HE2 MET A 109 -10.659 8.049 6.156 1.00 3.24 H new ATOM 0 HE3 MET A 109 -11.270 9.325 5.077 1.00 3.24 H new ATOM 1667 N THR A 110 -10.343 7.747 1.230 1.00 0.72 N ATOM 1668 CA THR A 110 -11.472 8.424 0.573 1.00 0.77 C ATOM 1669 C THR A 110 -11.178 8.522 -0.925 1.00 0.89 C ATOM 1670 O THR A 110 -12.087 8.764 -1.725 1.00 0.97 O ATOM 1671 CB THR A 110 -11.749 9.825 1.175 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.701 9.759 2.604 1.00 0.78 O ATOM 1673 CG2 THR A 110 -13.116 10.364 0.753 1.00 0.97 C ATOM 0 H THR A 110 -9.700 8.378 1.708 1.00 0.72 H new ATOM 0 HA THR A 110 -12.375 7.837 0.740 1.00 0.77 H new ATOM 0 HB THR A 110 -10.980 10.499 0.798 1.00 0.83 H new ATOM 0 HG1 THR A 110 -11.882 8.841 2.895 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.272 11.348 1.196 1.00 0.97 H new ATOM 0 HG22 THR A 110 -13.156 10.445 -0.333 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.897 9.684 1.095 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.886 8.349 -1.290 1.00 0.96 N ATOM 1682 CA ASN A 111 -9.472 8.302 -2.697 1.00 1.14 C ATOM 1683 C ASN A 111 -10.212 7.120 -3.333 1.00 1.13 C ATOM 1684 O ASN A 111 -10.534 7.121 -4.525 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.954 8.124 -2.815 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.407 8.634 -4.136 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -7.006 9.792 -4.251 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -7.392 7.768 -5.143 1.00 1.85 N ATOM 0 H ASN A 111 -9.120 8.241 -0.625 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.718 9.234 -3.206 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -7.465 8.652 -1.996 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.706 7.068 -2.707 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -7.038 8.054 -6.056 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -7.734 6.817 -5.003 1.00 1.85 H new ATOM 1695 N LEU A 112 -10.461 6.112 -2.474 1.00 1.02 N ATOM 1696 CA LEU A 112 -11.249 4.936 -2.815 1.00 1.04 C ATOM 1697 C LEU A 112 -12.696 5.207 -2.384 1.00 0.95 C ATOM 1698 O LEU A 112 -13.642 4.609 -2.904 1.00 1.02 O ATOM 1699 CB LEU A 112 -10.704 3.692 -2.104 1.00 1.07 C ATOM 1700 CG LEU A 112 -9.301 3.251 -2.533 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -8.511 2.760 -1.332 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -9.382 2.167 -3.599 1.00 1.54 C ATOM 0 H LEU A 112 -10.112 6.102 -1.516 1.00 1.02 H new ATOM 0 HA LEU A 112 -11.198 4.747 -3.887 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -10.694 3.883 -1.031 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -11.394 2.866 -2.274 1.00 1.07 H new ATOM 0 HG LEU A 112 -8.784 4.111 -2.959 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -7.516 2.450 -1.653 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -8.423 3.564 -0.601 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -9.026 1.913 -0.879 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -8.375 1.867 -3.890 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -9.916 1.304 -3.201 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -9.912 2.552 -4.470 1.00 1.54 H new ATOM 1714 N GLY A 113 -12.827 6.133 -1.412 1.00 0.83 N ATOM 1715 CA GLY A 113 -14.119 6.561 -0.898 1.00 0.82 C ATOM 1716 C GLY A 113 -14.548 5.866 0.373 1.00 0.76 C ATOM 1717 O GLY A 113 -15.744 5.694 0.622 1.00 0.82 O ATOM 0 H GLY A 113 -12.034 6.597 -0.970 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -14.086 7.635 -0.717 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -14.875 6.390 -1.664 1.00 0.82 H new ATOM 1721 N GLU A 114 -13.564 5.471 1.169 1.00 0.70 N ATOM 1722 CA GLU A 114 -13.789 4.794 2.448 1.00 0.70 C ATOM 1723 C GLU A 114 -14.512 5.700 3.431 1.00 0.73 C ATOM 1724 O GLU A 114 -14.296 6.916 3.444 1.00 0.73 O ATOM 1725 CB GLU A 114 -12.468 4.359 3.061 1.00 0.70 C ATOM 1726 CG GLU A 114 -11.851 3.135 2.392 1.00 0.79 C ATOM 1727 CD GLU A 114 -10.855 2.413 3.282 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -11.279 1.845 4.311 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -9.653 2.408 2.945 1.00 2.12 O ATOM 0 H GLU A 114 -12.578 5.610 0.948 1.00 0.70 H new ATOM 0 HA GLU A 114 -14.408 3.920 2.248 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -11.762 5.187 3.004 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -12.622 4.144 4.118 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -12.645 2.444 2.108 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -11.353 3.442 1.473 1.00 0.79 H new ATOM 1736 N LYS A 115 -15.364 5.092 4.243 1.00 0.82 N ATOM 1737 CA LYS A 115 -16.141 5.796 5.207 1.00 0.92 C ATOM 1738 C LYS A 115 -15.691 5.479 6.621 1.00 1.06 C ATOM 1739 O LYS A 115 -15.800 4.343 7.097 1.00 1.21 O ATOM 1740 CB LYS A 115 -17.597 5.455 5.014 1.00 1.04 C ATOM 1741 CG LYS A 115 -18.134 5.847 3.639 1.00 1.05 C ATOM 1742 CD LYS A 115 -19.346 5.012 3.238 1.00 1.31 C ATOM 1743 CE LYS A 115 -18.950 3.816 2.379 1.00 1.23 C ATOM 1744 NZ LYS A 115 -20.131 2.994 1.993 1.00 1.56 N ATOM 0 H LYS A 115 -15.525 4.085 4.237 1.00 0.82 H new ATOM 0 HA LYS A 115 -15.999 6.867 5.061 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -17.734 4.383 5.157 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -18.185 5.957 5.782 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -18.407 6.902 3.644 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -17.347 5.725 2.894 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -19.859 4.662 4.134 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -20.052 5.636 2.690 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -18.442 4.167 1.480 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -18.239 3.196 2.925 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -19.820 2.191 1.410 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -20.601 2.638 2.850 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -20.798 3.578 1.450 1.00 1.56 H new ATOM 1758 N LEU A 116 -15.171 6.507 7.265 1.00 1.10 N ATOM 1759 CA LEU A 116 -14.662 6.419 8.629 1.00 1.28 C ATOM 1760 C LEU A 116 -15.177 7.585 9.472 1.00 1.19 C ATOM 1761 O LEU A 116 -15.678 8.574 8.926 1.00 1.19 O ATOM 1762 CB LEU A 116 -13.128 6.399 8.604 1.00 1.54 C ATOM 1763 CG LEU A 116 -12.492 5.009 8.487 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -11.189 5.087 7.706 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -12.245 4.410 9.865 1.00 3.12 C ATOM 0 H LEU A 116 -15.087 7.438 6.856 1.00 1.10 H new ATOM 0 HA LEU A 116 -15.020 5.496 9.085 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -12.787 7.008 7.767 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -12.760 6.873 9.514 1.00 1.54 H new ATOM 0 HG LEU A 116 -13.185 4.361 7.950 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.749 4.092 7.631 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -11.387 5.472 6.706 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.496 5.752 8.220 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -11.793 3.424 9.757 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -11.573 5.058 10.428 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -13.192 4.319 10.397 1.00 3.12 H new ATOM 1777 N THR A 117 -15.052 7.468 10.799 1.00 1.15 N ATOM 1778 CA THR A 117 -15.494 8.528 11.707 1.00 1.08 C ATOM 1779 C THR A 117 -14.294 9.372 12.142 1.00 0.99 C ATOM 1780 O THR A 117 -13.147 8.927 12.041 1.00 0.98 O ATOM 1781 CB THR A 117 -16.219 7.968 12.957 1.00 1.04 C ATOM 1782 OG1 THR A 117 -16.795 6.686 12.670 1.00 1.34 O ATOM 1783 CG2 THR A 117 -17.321 8.915 13.420 1.00 1.40 C ATOM 0 H THR A 117 -14.650 6.654 11.264 1.00 1.15 H new ATOM 0 HA THR A 117 -16.209 9.145 11.163 1.00 1.08 H new ATOM 0 HB THR A 117 -15.478 7.868 13.750 1.00 1.04 H new ATOM 0 HG1 THR A 117 -17.248 6.344 13.469 1.00 1.34 H new ATOM 0 HG21 THR A 117 -17.814 8.498 14.298 1.00 1.40 H new ATOM 0 HG22 THR A 117 -16.887 9.883 13.672 1.00 1.40 H new ATOM 0 HG23 THR A 117 -18.051 9.042 12.621 1.00 1.40 H new ATOM 1791 N ASP A 118 -14.569 10.590 12.630 1.00 1.00 N ATOM 1792 CA ASP A 118 -13.515 11.518 13.078 1.00 1.00 C ATOM 1793 C ASP A 118 -12.711 10.959 14.257 1.00 0.90 C ATOM 1794 O ASP A 118 -11.550 11.328 14.438 1.00 0.96 O ATOM 1795 CB ASP A 118 -14.122 12.871 13.460 1.00 1.07 C ATOM 1796 CG ASP A 118 -14.638 13.641 12.258 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -15.823 13.468 11.906 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -13.855 14.418 11.671 1.00 2.05 O ATOM 0 H ASP A 118 -15.515 10.959 12.726 1.00 1.00 H new ATOM 0 HA ASP A 118 -12.828 11.648 12.242 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -14.940 12.712 14.163 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -13.370 13.470 13.975 1.00 1.07 H new ATOM 1803 N GLU A 119 -13.336 10.072 15.048 1.00 0.82 N ATOM 1804 CA GLU A 119 -12.681 9.450 16.196 1.00 0.81 C ATOM 1805 C GLU A 119 -11.930 8.188 15.790 1.00 0.77 C ATOM 1806 O GLU A 119 -10.896 7.863 16.382 1.00 0.78 O ATOM 1807 CB GLU A 119 -13.690 9.137 17.307 1.00 0.89 C ATOM 1808 CG GLU A 119 -14.197 10.369 18.043 1.00 1.11 C ATOM 1809 CD GLU A 119 -15.198 10.028 19.129 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -14.771 9.802 20.281 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -16.410 9.988 18.828 1.00 2.07 O ATOM 0 H GLU A 119 -14.301 9.772 14.907 1.00 0.82 H new ATOM 0 HA GLU A 119 -11.956 10.166 16.583 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -14.540 8.609 16.875 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -13.227 8.461 18.026 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -13.352 10.897 18.485 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -14.659 11.050 17.328 1.00 1.11 H new ATOM 1818 N GLU A 120 -12.460 7.477 14.782 1.00 0.77 N ATOM 1819 CA GLU A 120 -11.836 6.282 14.237 1.00 0.80 C ATOM 1820 C GLU A 120 -10.469 6.637 13.713 1.00 0.80 C ATOM 1821 O GLU A 120 -9.471 5.980 14.022 1.00 0.81 O ATOM 1822 CB GLU A 120 -12.665 5.770 13.067 1.00 0.97 C ATOM 1823 CG GLU A 120 -14.083 5.344 13.432 1.00 1.21 C ATOM 1824 CD GLU A 120 -14.169 3.883 13.828 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -14.388 3.037 12.935 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -14.018 3.583 15.031 1.00 1.93 O ATOM 0 H GLU A 120 -13.338 7.724 14.326 1.00 0.77 H new ATOM 0 HA GLU A 120 -11.766 5.524 15.017 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -12.718 6.550 12.308 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -12.149 4.922 12.617 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -14.444 5.961 14.255 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -14.743 5.526 12.584 1.00 1.21 H new ATOM 1833 N VAL A 121 -10.454 7.706 12.912 1.00 0.84 N ATOM 1834 CA VAL A 121 -9.242 8.209 12.342 1.00 0.92 C ATOM 1835 C VAL A 121 -8.467 9.048 13.335 1.00 0.88 C ATOM 1836 O VAL A 121 -7.292 9.247 13.139 1.00 0.93 O ATOM 1837 CB VAL A 121 -9.431 9.011 11.037 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -9.729 8.100 9.859 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -10.450 10.134 11.188 1.00 2.24 C ATOM 0 H VAL A 121 -11.289 8.232 12.653 1.00 0.84 H new ATOM 0 HA VAL A 121 -8.675 7.314 12.083 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.481 9.500 10.821 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -9.856 8.700 8.958 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -8.901 7.405 9.718 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -10.644 7.540 10.054 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -10.546 10.668 10.242 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -11.416 9.714 11.467 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -10.118 10.825 11.962 1.00 2.24 H new ATOM 1849 N ASP A 122 -9.121 9.545 14.401 1.00 0.86 N ATOM 1850 CA ASP A 122 -8.406 10.338 15.411 1.00 0.95 C ATOM 1851 C ASP A 122 -7.394 9.445 16.117 1.00 0.84 C ATOM 1852 O ASP A 122 -6.370 9.909 16.626 1.00 0.89 O ATOM 1853 CB ASP A 122 -9.373 10.981 16.414 1.00 1.08 C ATOM 1854 CG ASP A 122 -8.747 12.129 17.192 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -8.835 13.282 16.721 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -8.172 11.871 18.270 1.00 1.76 O ATOM 0 H ASP A 122 -10.117 9.415 14.581 1.00 0.86 H new ATOM 0 HA ASP A 122 -7.883 11.155 14.914 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -10.250 11.347 15.881 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -9.719 10.221 17.114 1.00 1.08 H new ATOM 1861 N GLU A 123 -7.722 8.156 16.129 1.00 0.75 N ATOM 1862 CA GLU A 123 -6.876 7.130 16.683 1.00 0.73 C ATOM 1863 C GLU A 123 -5.903 6.641 15.625 1.00 0.65 C ATOM 1864 O GLU A 123 -4.713 6.504 15.898 1.00 0.65 O ATOM 1865 CB GLU A 123 -7.719 5.976 17.241 1.00 0.78 C ATOM 1866 CG GLU A 123 -8.243 6.230 18.645 1.00 0.92 C ATOM 1867 CD GLU A 123 -9.076 5.078 19.173 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -8.498 4.169 19.806 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -10.305 5.086 18.955 1.00 1.87 O ATOM 0 H GLU A 123 -8.598 7.801 15.746 1.00 0.75 H new ATOM 0 HA GLU A 123 -6.304 7.548 17.511 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -8.562 5.797 16.574 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -7.118 5.067 17.245 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -7.402 6.404 19.317 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -8.845 7.139 18.646 1.00 0.92 H new ATOM 1876 N MET A 124 -6.418 6.402 14.406 1.00 0.63 N ATOM 1877 CA MET A 124 -5.576 5.981 13.279 1.00 0.64 C ATOM 1878 C MET A 124 -4.705 7.152 12.848 1.00 0.64 C ATOM 1879 O MET A 124 -3.660 6.971 12.217 1.00 0.67 O ATOM 1880 CB MET A 124 -6.396 5.467 12.084 1.00 0.70 C ATOM 1881 CG MET A 124 -7.411 4.385 12.430 1.00 1.18 C ATOM 1882 SD MET A 124 -8.214 3.695 10.970 1.00 2.12 S ATOM 1883 CE MET A 124 -9.310 2.494 11.720 1.00 2.40 C ATOM 0 H MET A 124 -7.408 6.493 14.180 1.00 0.63 H new ATOM 0 HA MET A 124 -4.960 5.148 13.617 1.00 0.64 H new ATOM 0 HB2 MET A 124 -6.921 6.308 11.632 1.00 0.70 H new ATOM 0 HB3 MET A 124 -5.711 5.077 11.331 1.00 0.70 H new ATOM 0 HG2 MET A 124 -6.912 3.586 12.978 1.00 1.18 H new ATOM 0 HG3 MET A 124 -8.168 4.801 13.094 1.00 1.18 H new ATOM 0 HE1 MET A 124 -9.877 1.983 10.942 1.00 2.40 H new ATOM 0 HE2 MET A 124 -8.723 1.765 12.279 1.00 2.40 H new ATOM 0 HE3 MET A 124 -9.998 3.002 12.396 1.00 2.40 H new ATOM 1893 N ILE A 125 -5.167 8.362 13.207 1.00 0.65 N ATOM 1894 CA ILE A 125 -4.455 9.589 12.923 1.00 0.70 C ATOM 1895 C ILE A 125 -3.353 9.766 13.975 1.00 0.66 C ATOM 1896 O ILE A 125 -2.247 10.217 13.663 1.00 0.68 O ATOM 1897 CB ILE A 125 -5.410 10.832 12.946 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -5.116 11.780 11.778 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -5.313 11.588 14.270 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -5.843 11.423 10.494 1.00 0.70 C ATOM 0 H ILE A 125 -6.048 8.501 13.703 1.00 0.65 H new ATOM 0 HA ILE A 125 -4.028 9.522 11.922 1.00 0.70 H new ATOM 0 HB ILE A 125 -6.427 10.455 12.840 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -5.390 12.794 12.069 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -4.043 11.783 11.587 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -5.988 12.443 14.251 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -5.591 10.925 15.089 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -4.290 11.936 14.416 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -5.582 12.141 9.716 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -5.551 10.422 10.177 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -6.919 11.449 10.666 1.00 0.70 H new ATOM 1912 N ARG A 126 -3.691 9.395 15.240 1.00 0.65 N ATOM 1913 CA ARG A 126 -2.760 9.532 16.351 1.00 0.68 C ATOM 1914 C ARG A 126 -1.808 8.372 16.478 1.00 0.64 C ATOM 1915 O ARG A 126 -0.823 8.423 17.223 1.00 0.69 O ATOM 1916 CB ARG A 126 -3.479 9.821 17.672 1.00 0.76 C ATOM 1917 CG ARG A 126 -3.918 11.271 17.824 1.00 1.02 C ATOM 1918 CD ARG A 126 -4.660 11.504 19.134 1.00 1.07 C ATOM 1919 NE ARG A 126 -3.757 11.508 20.293 1.00 1.63 N ATOM 1920 CZ ARG A 126 -4.145 11.702 21.562 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -5.424 11.914 21.867 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -3.241 11.685 22.532 1.00 2.58 N ATOM 0 H ARG A 126 -4.598 9.004 15.496 1.00 0.65 H new ATOM 0 HA ARG A 126 -2.147 10.401 16.114 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -4.354 9.176 17.748 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -2.819 9.562 18.499 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -3.044 11.922 17.781 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -4.562 11.545 16.988 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -5.189 12.456 19.085 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -5.413 10.727 19.266 1.00 1.07 H new ATOM 0 HE ARG A 126 -2.764 11.352 20.120 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -6.128 11.931 21.129 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -5.699 12.059 22.838 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -2.258 11.525 22.311 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -3.528 11.832 23.500 1.00 2.58 H new ATOM 1936 N GLU A 127 -2.121 7.342 15.737 1.00 0.59 N ATOM 1937 CA GLU A 127 -1.300 6.135 15.668 1.00 0.59 C ATOM 1938 C GLU A 127 -0.052 6.423 14.828 1.00 0.59 C ATOM 1939 O GLU A 127 0.828 5.569 14.678 1.00 0.63 O ATOM 1940 CB GLU A 127 -2.089 4.978 15.052 1.00 0.61 C ATOM 1941 CG GLU A 127 -2.931 4.201 16.055 1.00 0.66 C ATOM 1942 CD GLU A 127 -3.524 2.938 15.463 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -4.611 3.020 14.854 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -2.901 1.866 15.610 1.00 2.06 O ATOM 0 H GLU A 127 -2.958 7.305 15.155 1.00 0.59 H new ATOM 0 HA GLU A 127 -1.007 5.847 16.678 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -2.741 5.371 14.272 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -1.392 4.293 14.569 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -2.315 3.940 16.916 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -3.736 4.839 16.420 1.00 0.66 H new ATOM 1951 N ALA A 128 0.006 7.662 14.294 1.00 0.59 N ATOM 1952 CA ALA A 128 1.110 8.096 13.435 1.00 0.64 C ATOM 1953 C ALA A 128 1.501 9.569 13.652 1.00 0.63 C ATOM 1954 O ALA A 128 2.288 10.121 12.871 1.00 0.65 O ATOM 1955 CB ALA A 128 0.731 7.866 11.977 1.00 0.72 C ATOM 0 H ALA A 128 -0.706 8.376 14.448 1.00 0.59 H new ATOM 0 HA ALA A 128 1.983 7.501 13.703 1.00 0.64 H new ATOM 0 HB1 ALA A 128 1.550 8.188 11.333 1.00 0.72 H new ATOM 0 HB2 ALA A 128 0.536 6.806 11.815 1.00 0.72 H new ATOM 0 HB3 ALA A 128 -0.165 8.440 11.739 1.00 0.72 H new ATOM 1961 N ALA A 129 0.977 10.206 14.719 1.00 0.67 N ATOM 1962 CA ALA A 129 1.287 11.619 15.008 1.00 0.72 C ATOM 1963 C ALA A 129 2.778 11.833 15.290 1.00 0.77 C ATOM 1964 O ALA A 129 3.305 11.380 16.313 1.00 0.86 O ATOM 1965 CB ALA A 129 0.452 12.135 16.176 1.00 0.83 C ATOM 0 H ALA A 129 0.343 9.769 15.388 1.00 0.67 H new ATOM 0 HA ALA A 129 1.031 12.188 14.114 1.00 0.72 H new ATOM 0 HB1 ALA A 129 0.700 13.179 16.368 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -0.607 12.053 15.930 1.00 0.83 H new ATOM 0 HB3 ALA A 129 0.665 11.542 17.065 1.00 0.83 H new ATOM 1971 N ILE A 130 3.444 12.514 14.355 1.00 0.77 N ATOM 1972 CA ILE A 130 4.869 12.818 14.474 1.00 0.87 C ATOM 1973 C ILE A 130 5.069 14.295 14.751 1.00 1.01 C ATOM 1974 O ILE A 130 4.382 15.150 14.187 1.00 1.27 O ATOM 1975 CB ILE A 130 5.697 12.345 13.230 1.00 0.91 C ATOM 1976 CG1 ILE A 130 7.032 13.100 13.067 1.00 1.07 C ATOM 1977 CG2 ILE A 130 4.884 12.433 11.936 1.00 1.28 C ATOM 1978 CD1 ILE A 130 8.213 12.192 12.790 1.00 1.57 C ATOM 0 H ILE A 130 3.013 12.867 13.501 1.00 0.77 H new ATOM 0 HA ILE A 130 5.254 12.250 15.321 1.00 0.87 H new ATOM 0 HB ILE A 130 5.936 11.299 13.424 1.00 0.91 H new ATOM 0 HG12 ILE A 130 6.937 13.817 12.252 1.00 1.07 H new ATOM 0 HG13 ILE A 130 7.229 13.672 13.974 1.00 1.07 H new ATOM 0 HG21 ILE A 130 5.495 12.096 11.099 1.00 1.28 H new ATOM 0 HG22 ILE A 130 4.000 11.800 12.018 1.00 1.28 H new ATOM 0 HG23 ILE A 130 4.577 13.465 11.769 1.00 1.28 H new ATOM 0 HD11 ILE A 130 9.117 12.792 12.687 1.00 1.57 H new ATOM 0 HD12 ILE A 130 8.335 11.491 13.616 1.00 1.57 H new ATOM 0 HD13 ILE A 130 8.038 11.639 11.867 1.00 1.57 H new ATOM 1990 N ASP A 131 6.068 14.560 15.603 1.00 1.22 N ATOM 1991 CA ASP A 131 6.446 15.918 16.072 1.00 1.45 C ATOM 1992 C ASP A 131 5.308 16.643 16.818 1.00 1.44 C ATOM 1993 O ASP A 131 5.553 17.397 17.765 1.00 1.64 O ATOM 1994 CB ASP A 131 6.943 16.759 14.893 1.00 1.64 C ATOM 1995 CG ASP A 131 7.911 17.855 15.307 1.00 2.27 C ATOM 1996 OD1 ASP A 131 9.132 17.591 15.331 1.00 2.70 O ATOM 1997 OD2 ASP A 131 7.447 18.975 15.606 1.00 2.90 O ATOM 0 H ASP A 131 6.655 13.826 16.000 1.00 1.22 H new ATOM 0 HA ASP A 131 7.250 15.791 16.797 1.00 1.45 H new ATOM 0 HB2 ASP A 131 7.431 16.106 14.169 1.00 1.64 H new ATOM 0 HB3 ASP A 131 6.087 17.209 14.390 1.00 1.64 H new ATOM 2002 N GLY A 132 4.086 16.395 16.370 1.00 1.31 N ATOM 2003 CA GLY A 132 2.894 16.995 16.951 1.00 1.35 C ATOM 2004 C GLY A 132 2.003 17.641 15.901 1.00 1.46 C ATOM 2005 O GLY A 132 0.799 17.802 16.122 1.00 1.75 O ATOM 0 H GLY A 132 3.893 15.768 15.589 1.00 1.31 H new ATOM 0 HA2 GLY A 132 2.328 16.231 17.484 1.00 1.35 H new ATOM 0 HA3 GLY A 132 3.188 17.745 17.686 1.00 1.35 H new ATOM 2009 N ASP A 133 2.603 18.012 14.757 1.00 1.34 N ATOM 2010 CA ASP A 133 1.870 18.627 13.641 1.00 1.49 C ATOM 2011 C ASP A 133 1.229 17.543 12.768 1.00 1.37 C ATOM 2012 O ASP A 133 0.061 17.656 12.384 1.00 1.69 O ATOM 2013 CB ASP A 133 2.802 19.508 12.799 1.00 1.52 C ATOM 2014 CG ASP A 133 3.242 20.762 13.532 1.00 1.94 C ATOM 2015 OD1 ASP A 133 4.284 20.713 14.219 1.00 2.14 O ATOM 2016 OD2 ASP A 133 2.545 21.791 13.419 1.00 2.60 O ATOM 0 H ASP A 133 3.601 17.895 14.582 1.00 1.34 H new ATOM 0 HA ASP A 133 1.083 19.258 14.052 1.00 1.49 H new ATOM 0 HB2 ASP A 133 3.682 18.931 12.514 1.00 1.52 H new ATOM 0 HB3 ASP A 133 2.294 19.790 11.877 1.00 1.52 H new ATOM 2021 N GLY A 134 2.014 16.499 12.464 1.00 1.04 N ATOM 2022 CA GLY A 134 1.523 15.380 11.676 1.00 1.15 C ATOM 2023 C GLY A 134 1.995 15.362 10.230 1.00 1.03 C ATOM 2024 O GLY A 134 1.856 14.331 9.567 1.00 1.25 O ATOM 0 H GLY A 134 2.988 16.415 12.755 1.00 1.04 H new ATOM 0 HA2 GLY A 134 1.833 14.452 12.156 1.00 1.15 H new ATOM 0 HA3 GLY A 134 0.433 15.396 11.688 1.00 1.15 H new ATOM 2028 N GLN A 135 2.569 16.472 9.734 1.00 0.84 N ATOM 2029 CA GLN A 135 3.037 16.521 8.339 1.00 0.77 C ATOM 2030 C GLN A 135 4.506 16.127 8.241 1.00 0.74 C ATOM 2031 O GLN A 135 5.323 16.550 9.064 1.00 0.80 O ATOM 2032 CB GLN A 135 2.806 17.884 7.668 1.00 0.80 C ATOM 2033 CG GLN A 135 1.657 18.708 8.243 1.00 1.03 C ATOM 2034 CD GLN A 135 1.467 20.027 7.521 1.00 1.40 C ATOM 2035 OE1 GLN A 135 2.057 21.042 7.892 1.00 2.05 O ATOM 2036 NE2 GLN A 135 0.639 20.019 6.482 1.00 1.98 N ATOM 0 H GLN A 135 2.718 17.330 10.265 1.00 0.84 H new ATOM 0 HA GLN A 135 2.433 15.795 7.795 1.00 0.77 H new ATOM 0 HB2 GLN A 135 3.723 18.468 7.744 1.00 0.80 H new ATOM 0 HB3 GLN A 135 2.619 17.721 6.607 1.00 0.80 H new ATOM 0 HG2 GLN A 135 0.735 18.130 8.184 1.00 1.03 H new ATOM 0 HG3 GLN A 135 1.846 18.900 9.299 1.00 1.03 H new ATOM 0 HE21 GLN A 135 0.171 19.155 6.209 1.00 1.98 H new ATOM 0 HE22 GLN A 135 0.471 20.877 5.957 1.00 1.98 H new ATOM 2045 N VAL A 136 4.832 15.311 7.223 1.00 0.69 N ATOM 2046 CA VAL A 136 6.219 14.827 7.035 1.00 0.68 C ATOM 2047 C VAL A 136 6.570 14.591 5.562 1.00 0.64 C ATOM 2048 O VAL A 136 5.792 14.007 4.814 1.00 0.67 O ATOM 2049 CB VAL A 136 6.521 13.531 7.844 1.00 0.75 C ATOM 2050 CG1 VAL A 136 6.941 13.880 9.263 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.329 12.572 7.868 1.00 0.88 C ATOM 0 H VAL A 136 4.168 14.975 6.525 1.00 0.69 H new ATOM 0 HA VAL A 136 6.846 15.632 7.419 1.00 0.68 H new ATOM 0 HB VAL A 136 7.340 13.019 7.339 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.149 12.964 9.817 1.00 0.91 H new ATOM 0 HG12 VAL A 136 7.838 14.499 9.235 1.00 0.91 H new ATOM 0 HG13 VAL A 136 6.138 14.428 9.756 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.588 11.684 8.444 1.00 0.88 H new ATOM 0 HG22 VAL A 136 4.474 13.066 8.329 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.075 12.282 6.849 1.00 0.88 H new ATOM 2061 N ASN A 137 7.774 15.025 5.170 1.00 0.63 N ATOM 2062 CA ASN A 137 8.249 14.896 3.792 1.00 0.62 C ATOM 2063 C ASN A 137 8.857 13.498 3.515 1.00 0.59 C ATOM 2064 O ASN A 137 8.693 12.571 4.312 1.00 0.59 O ATOM 2065 CB ASN A 137 9.268 16.012 3.523 1.00 0.66 C ATOM 2066 CG ASN A 137 9.314 16.467 2.069 1.00 0.80 C ATOM 2067 OD1 ASN A 137 8.995 15.715 1.145 1.00 1.18 O ATOM 2068 ND2 ASN A 137 9.725 17.713 1.860 1.00 1.45 N ATOM 0 H ASN A 137 8.442 15.473 5.798 1.00 0.63 H new ATOM 0 HA ASN A 137 7.403 14.997 3.112 1.00 0.62 H new ATOM 0 HB2 ASN A 137 9.030 16.868 4.154 1.00 0.66 H new ATOM 0 HB3 ASN A 137 10.259 15.665 3.817 1.00 0.66 H new ATOM 0 HD21 ASN A 137 9.785 18.077 0.909 1.00 1.45 H new ATOM 0 HD22 ASN A 137 9.980 18.305 2.650 1.00 1.45 H new ATOM 2075 N TYR A 138 9.558 13.376 2.368 1.00 0.62 N ATOM 2076 CA TYR A 138 10.206 12.129 1.902 1.00 0.66 C ATOM 2077 C TYR A 138 11.146 11.484 2.947 1.00 0.61 C ATOM 2078 O TYR A 138 11.450 10.295 2.841 1.00 0.67 O ATOM 2079 CB TYR A 138 10.946 12.436 0.577 1.00 0.75 C ATOM 2080 CG TYR A 138 11.916 11.377 0.071 1.00 1.21 C ATOM 2081 CD1 TYR A 138 13.256 11.397 0.447 1.00 1.93 C ATOM 2082 CD2 TYR A 138 11.495 10.377 -0.795 1.00 2.03 C ATOM 2083 CE1 TYR A 138 14.144 10.448 -0.022 1.00 2.59 C ATOM 2084 CE2 TYR A 138 12.379 9.423 -1.267 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.700 9.463 -0.877 1.00 2.81 C ATOM 2086 OH TYR A 138 14.581 8.517 -1.347 1.00 3.66 O ATOM 0 H TYR A 138 9.693 14.157 1.726 1.00 0.62 H new ATOM 0 HA TYR A 138 9.429 11.382 1.740 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.199 12.610 -0.197 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.496 13.368 0.703 1.00 0.75 H new ATOM 0 HD1 TYR A 138 13.608 12.168 1.117 1.00 1.93 H new ATOM 0 HD2 TYR A 138 10.461 10.343 -1.105 1.00 2.03 H new ATOM 0 HE1 TYR A 138 15.180 10.478 0.280 1.00 2.59 H new ATOM 0 HE2 TYR A 138 12.035 8.650 -1.938 1.00 2.76 H new ATOM 0 HH TYR A 138 14.108 7.894 -1.938 1.00 3.66 H new ATOM 2096 N GLU A 139 11.600 12.262 3.938 1.00 0.57 N ATOM 2097 CA GLU A 139 12.513 11.755 4.974 1.00 0.60 C ATOM 2098 C GLU A 139 11.850 10.683 5.870 1.00 0.54 C ATOM 2099 O GLU A 139 12.327 9.545 5.926 1.00 0.57 O ATOM 2100 CB GLU A 139 13.038 12.923 5.824 1.00 0.68 C ATOM 2101 CG GLU A 139 14.442 12.706 6.375 1.00 0.89 C ATOM 2102 CD GLU A 139 14.928 13.876 7.208 1.00 1.36 C ATOM 2103 OE1 GLU A 139 14.694 13.870 8.435 1.00 2.24 O ATOM 2104 OE2 GLU A 139 15.544 14.798 6.633 1.00 1.61 O ATOM 0 H GLU A 139 11.351 13.245 4.045 1.00 0.57 H new ATOM 0 HA GLU A 139 13.348 11.270 4.469 1.00 0.60 H new ATOM 0 HB2 GLU A 139 13.032 13.830 5.220 1.00 0.68 H new ATOM 0 HB3 GLU A 139 12.354 13.090 6.656 1.00 0.68 H new ATOM 0 HG2 GLU A 139 14.454 11.802 6.983 1.00 0.89 H new ATOM 0 HG3 GLU A 139 15.132 12.542 5.547 1.00 0.89 H new ATOM 2111 N GLU A 140 10.760 11.054 6.559 1.00 0.51 N ATOM 2112 CA GLU A 140 10.049 10.135 7.463 1.00 0.52 C ATOM 2113 C GLU A 140 8.935 9.345 6.775 1.00 0.47 C ATOM 2114 O GLU A 140 8.688 8.192 7.140 1.00 0.49 O ATOM 2115 CB GLU A 140 9.477 10.905 8.659 1.00 0.59 C ATOM 2116 CG GLU A 140 10.514 11.292 9.711 1.00 1.02 C ATOM 2117 CD GLU A 140 11.336 12.508 9.318 1.00 1.31 C ATOM 2118 OE1 GLU A 140 10.866 13.642 9.547 1.00 1.91 O ATOM 2119 OE2 GLU A 140 12.449 12.324 8.782 1.00 2.02 O ATOM 0 H GLU A 140 10.350 11.987 6.507 1.00 0.51 H new ATOM 0 HA GLU A 140 10.787 9.408 7.802 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.991 11.810 8.295 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.706 10.297 9.132 1.00 0.59 H new ATOM 0 HG2 GLU A 140 10.008 11.493 10.655 1.00 1.02 H new ATOM 0 HG3 GLU A 140 11.183 10.448 9.881 1.00 1.02 H new ATOM 2126 N PHE A 141 8.261 9.955 5.785 1.00 0.45 N ATOM 2127 CA PHE A 141 7.159 9.285 5.069 1.00 0.43 C ATOM 2128 C PHE A 141 7.660 8.117 4.199 1.00 0.41 C ATOM 2129 O PHE A 141 6.857 7.320 3.704 1.00 0.44 O ATOM 2130 CB PHE A 141 6.371 10.291 4.221 1.00 0.45 C ATOM 2131 CG PHE A 141 4.943 9.878 3.950 1.00 0.69 C ATOM 2132 CD1 PHE A 141 4.596 9.301 2.739 1.00 1.33 C ATOM 2133 CD2 PHE A 141 3.954 10.065 4.905 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.291 8.918 2.486 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.649 9.685 4.657 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.317 9.110 3.446 1.00 1.54 C ATOM 0 H PHE A 141 8.457 10.903 5.463 1.00 0.45 H new ATOM 0 HA PHE A 141 6.493 8.866 5.823 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.370 11.256 4.728 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.885 10.431 3.270 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.353 9.149 1.984 1.00 1.33 H new ATOM 0 HD2 PHE A 141 4.207 10.513 5.854 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.034 8.469 1.538 1.00 1.59 H new ATOM 0 HE2 PHE A 141 1.889 9.837 5.409 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.298 8.811 3.250 1.00 1.54 H new ATOM 2146 N VAL A 142 8.990 8.027 4.023 1.00 0.42 N ATOM 2147 CA VAL A 142 9.611 6.941 3.257 1.00 0.44 C ATOM 2148 C VAL A 142 9.719 5.693 4.112 1.00 0.46 C ATOM 2149 O VAL A 142 9.629 4.584 3.596 1.00 0.48 O ATOM 2150 CB VAL A 142 11.010 7.337 2.726 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.051 6.230 2.920 1.00 0.53 C ATOM 2152 CG2 VAL A 142 10.929 7.738 1.258 1.00 0.50 C ATOM 0 H VAL A 142 9.656 8.699 4.405 1.00 0.42 H new ATOM 0 HA VAL A 142 8.972 6.740 2.397 1.00 0.44 H new ATOM 0 HB VAL A 142 11.341 8.192 3.316 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.013 6.563 2.530 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.149 6.005 3.982 1.00 0.53 H new ATOM 0 HG13 VAL A 142 11.733 5.334 2.387 1.00 0.53 H new ATOM 0 HG21 VAL A 142 11.921 8.013 0.901 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.552 6.900 0.672 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.256 8.588 1.150 1.00 0.50 H new ATOM 2162 N GLN A 143 9.942 5.888 5.419 1.00 0.49 N ATOM 2163 CA GLN A 143 10.047 4.778 6.360 1.00 0.54 C ATOM 2164 C GLN A 143 8.766 3.941 6.347 1.00 0.52 C ATOM 2165 O GLN A 143 8.807 2.722 6.537 1.00 0.57 O ATOM 2166 CB GLN A 143 10.340 5.314 7.756 1.00 0.59 C ATOM 2167 CG GLN A 143 11.194 4.390 8.613 1.00 0.64 C ATOM 2168 CD GLN A 143 11.420 4.935 10.010 1.00 0.89 C ATOM 2169 OE1 GLN A 143 10.644 4.668 10.927 1.00 1.62 O ATOM 2170 NE2 GLN A 143 12.489 5.706 10.178 1.00 1.55 N ATOM 0 H GLN A 143 10.053 6.809 5.844 1.00 0.49 H new ATOM 0 HA GLN A 143 10.869 4.129 6.059 1.00 0.54 H new ATOM 0 HB2 GLN A 143 10.844 6.276 7.665 1.00 0.59 H new ATOM 0 HB3 GLN A 143 9.395 5.497 8.269 1.00 0.59 H new ATOM 0 HG2 GLN A 143 10.712 3.415 8.681 1.00 0.64 H new ATOM 0 HG3 GLN A 143 12.157 4.236 8.127 1.00 0.64 H new ATOM 0 HE21 GLN A 143 13.106 5.901 9.390 1.00 1.55 H new ATOM 0 HE22 GLN A 143 12.693 6.102 11.095 1.00 1.55 H new ATOM 2179 N MET A 144 7.631 4.623 6.121 1.00 0.49 N ATOM 2180 CA MET A 144 6.336 3.972 5.984 1.00 0.49 C ATOM 2181 C MET A 144 6.324 3.209 4.656 1.00 0.51 C ATOM 2182 O MET A 144 5.575 2.243 4.483 1.00 0.58 O ATOM 2183 CB MET A 144 5.204 5.019 6.015 1.00 0.52 C ATOM 2184 CG MET A 144 3.786 4.434 6.033 1.00 0.93 C ATOM 2185 SD MET A 144 2.700 5.291 7.190 1.00 2.33 S ATOM 2186 CE MET A 144 2.183 6.698 6.210 1.00 3.20 C ATOM 0 H MET A 144 7.595 5.638 6.030 1.00 0.49 H new ATOM 0 HA MET A 144 6.174 3.282 6.812 1.00 0.49 H new ATOM 0 HB2 MET A 144 5.334 5.647 6.896 1.00 0.52 H new ATOM 0 HB3 MET A 144 5.303 5.667 5.144 1.00 0.52 H new ATOM 0 HG2 MET A 144 3.361 4.490 5.031 1.00 0.93 H new ATOM 0 HG3 MET A 144 3.835 3.378 6.300 1.00 0.93 H new ATOM 0 HE1 MET A 144 2.086 7.573 6.853 1.00 3.20 H new ATOM 0 HE2 MET A 144 2.926 6.896 5.437 1.00 3.20 H new ATOM 0 HE3 MET A 144 1.222 6.483 5.743 1.00 3.20 H new ATOM 2196 N MET A 145 7.177 3.676 3.728 1.00 0.49 N ATOM 2197 CA MET A 145 7.304 3.076 2.406 1.00 0.56 C ATOM 2198 C MET A 145 8.384 1.982 2.369 1.00 0.62 C ATOM 2199 O MET A 145 8.261 1.030 1.594 1.00 0.75 O ATOM 2200 CB MET A 145 7.610 4.157 1.354 1.00 0.58 C ATOM 2201 CG MET A 145 6.626 5.326 1.346 1.00 1.52 C ATOM 2202 SD MET A 145 6.715 6.303 -0.166 1.00 2.50 S ATOM 2203 CE MET A 145 5.214 7.269 -0.021 1.00 3.22 C ATOM 0 H MET A 145 7.791 4.476 3.880 1.00 0.49 H new ATOM 0 HA MET A 145 6.350 2.604 2.172 1.00 0.56 H new ATOM 0 HB2 MET A 145 8.614 4.544 1.530 1.00 0.58 H new ATOM 0 HB3 MET A 145 7.615 3.695 0.367 1.00 0.58 H new ATOM 0 HG2 MET A 145 5.613 4.943 1.467 1.00 1.52 H new ATOM 0 HG3 MET A 145 6.827 5.970 2.202 1.00 1.52 H new ATOM 0 HE1 MET A 145 4.597 7.119 -0.907 1.00 3.22 H new ATOM 0 HE2 MET A 145 4.661 6.952 0.864 1.00 3.22 H new ATOM 0 HE3 MET A 145 5.468 8.325 0.069 1.00 3.22 H new ATOM 2213 N THR A 146 9.442 2.114 3.205 1.00 0.59 N ATOM 2214 CA THR A 146 10.533 1.142 3.233 1.00 0.68 C ATOM 2215 C THR A 146 10.187 -0.112 4.039 1.00 0.78 C ATOM 2216 O THR A 146 10.731 -1.190 3.782 1.00 0.89 O ATOM 2217 CB THR A 146 11.826 1.751 3.813 1.00 0.69 C ATOM 2218 OG1 THR A 146 11.556 2.992 4.473 1.00 0.63 O ATOM 2219 CG2 THR A 146 12.866 1.969 2.722 1.00 0.71 C ATOM 0 H THR A 146 9.552 2.886 3.863 1.00 0.59 H new ATOM 0 HA THR A 146 10.691 0.859 2.192 1.00 0.68 H new ATOM 0 HB THR A 146 12.222 1.042 4.540 1.00 0.69 H new ATOM 0 HG1 THR A 146 11.123 3.608 3.846 1.00 0.63 H new ATOM 0 HG21 THR A 146 13.767 2.399 3.159 1.00 0.71 H new ATOM 0 HG22 THR A 146 13.109 1.015 2.255 1.00 0.71 H new ATOM 0 HG23 THR A 146 12.467 2.650 1.970 1.00 0.71 H new ATOM 2227 N ALA A 147 9.279 0.041 5.011 1.00 0.77 N ATOM 2228 CA ALA A 147 8.835 -1.060 5.859 1.00 0.88 C ATOM 2229 C ALA A 147 7.838 -1.964 5.131 1.00 0.94 C ATOM 2230 O ALA A 147 6.846 -1.484 4.573 1.00 0.91 O ATOM 2231 CB ALA A 147 8.222 -0.522 7.143 1.00 0.90 C ATOM 0 H ALA A 147 8.835 0.933 5.228 1.00 0.77 H new ATOM 0 HA ALA A 147 9.709 -1.663 6.107 1.00 0.88 H new ATOM 0 HB1 ALA A 147 7.895 -1.354 7.767 1.00 0.90 H new ATOM 0 HB2 ALA A 147 8.965 0.066 7.682 1.00 0.90 H new ATOM 0 HB3 ALA A 147 7.366 0.109 6.901 1.00 0.90 H new ATOM 2237 N LYS A 148 8.117 -3.272 5.144 1.00 1.08 N ATOM 2238 CA LYS A 148 7.260 -4.266 4.486 1.00 1.19 C ATOM 2239 C LYS A 148 6.214 -4.824 5.453 1.00 1.63 C ATOM 2240 O LYS A 148 6.609 -5.418 6.479 1.00 2.21 O ATOM 2241 CB LYS A 148 8.083 -5.420 3.858 1.00 1.53 C ATOM 2242 CG LYS A 148 9.302 -5.875 4.663 1.00 2.17 C ATOM 2243 CD LYS A 148 10.520 -5.029 4.331 1.00 2.29 C ATOM 2244 CE LYS A 148 11.660 -5.275 5.306 1.00 3.11 C ATOM 2245 NZ LYS A 148 12.854 -4.446 4.985 1.00 3.56 N ATOM 2246 OXT LYS A 148 5.008 -4.659 5.173 1.00 2.14 O ATOM 0 H LYS A 148 8.935 -3.669 5.606 1.00 1.08 H new ATOM 0 HA LYS A 148 6.744 -3.749 3.677 1.00 1.19 H new ATOM 0 HB2 LYS A 148 7.424 -6.276 3.715 1.00 1.53 H new ATOM 0 HB3 LYS A 148 8.419 -5.107 2.869 1.00 1.53 H new ATOM 0 HG2 LYS A 148 9.085 -5.805 5.729 1.00 2.17 H new ATOM 0 HG3 LYS A 148 9.513 -6.923 4.449 1.00 2.17 H new ATOM 0 HD2 LYS A 148 10.853 -5.253 3.318 1.00 2.29 H new ATOM 0 HD3 LYS A 148 10.246 -3.974 4.350 1.00 2.29 H new ATOM 0 HE2 LYS A 148 11.325 -5.053 6.319 1.00 3.11 H new ATOM 0 HE3 LYS A 148 11.934 -6.330 5.285 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 13.609 -4.643 5.673 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 13.189 -4.676 4.028 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 12.599 -3.439 5.030 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 22.197 -11.112 17.056 1.00 0.00 N ATOM 2262 CA ALA B 503 21.706 -10.721 18.403 1.00 0.00 C ATOM 2263 C ALA B 503 21.986 -9.248 18.681 1.00 0.00 C ATOM 2264 O ALA B 503 23.088 -8.758 18.414 1.00 0.00 O ATOM 2265 CB ALA B 503 22.351 -11.590 19.472 1.00 0.00 C ATOM 0 HA ALA B 503 20.627 -10.872 18.428 1.00 0.00 H new ATOM 0 HB1 ALA B 503 21.982 -11.293 20.454 1.00 0.00 H new ATOM 0 HB2 ALA B 503 22.100 -12.635 19.291 1.00 0.00 H new ATOM 0 HB3 ALA B 503 23.433 -11.466 19.438 1.00 0.00 H new ATOM 2273 N GLY B 504 20.977 -8.553 19.217 1.00 0.00 N ATOM 2274 CA GLY B 504 21.111 -7.138 19.531 1.00 0.00 C ATOM 2275 C GLY B 504 20.291 -6.732 20.740 1.00 0.00 C ATOM 2276 O GLY B 504 20.389 -7.358 21.799 1.00 0.00 O ATOM 0 H GLY B 504 20.065 -8.951 19.439 1.00 0.00 H new ATOM 0 HA2 GLY B 504 22.161 -6.907 19.714 1.00 0.00 H new ATOM 0 HA3 GLY B 504 20.800 -6.547 18.670 1.00 0.00 H new ATOM 2280 N HIS B 505 19.482 -5.681 20.573 1.00 0.00 N ATOM 2281 CA HIS B 505 18.630 -5.172 21.649 1.00 0.00 C ATOM 2282 C HIS B 505 17.184 -5.044 21.183 1.00 0.00 C ATOM 2283 O HIS B 505 16.924 -4.614 20.055 1.00 0.00 O ATOM 2284 CB HIS B 505 19.140 -3.814 22.141 1.00 0.00 C ATOM 2285 CG HIS B 505 20.438 -3.889 22.887 1.00 0.00 C ATOM 2286 ND1 HIS B 505 21.653 -3.566 22.319 1.00 0.00 N ATOM 2287 CD2 HIS B 505 20.706 -4.250 24.165 1.00 0.00 C ATOM 2288 CE1 HIS B 505 22.612 -3.726 23.214 1.00 0.00 C ATOM 2289 NE2 HIS B 505 22.063 -4.140 24.341 1.00 0.00 N ATOM 0 H HIS B 505 19.400 -5.165 19.697 1.00 0.00 H new ATOM 0 HA HIS B 505 18.668 -5.885 22.473 1.00 0.00 H new ATOM 0 HB2 HIS B 505 19.262 -3.150 21.285 1.00 0.00 H new ATOM 0 HB3 HIS B 505 18.386 -3.366 22.787 1.00 0.00 H new ATOM 0 HD2 HIS B 505 19.987 -4.565 24.906 1.00 0.00 H new ATOM 0 HE1 HIS B 505 23.665 -3.548 23.051 1.00 0.00 H new ATOM 0 HE2 HIS B 505 22.566 -4.345 25.204 1.00 0.00 H new ATOM 2298 N MET B 506 16.252 -5.422 22.063 1.00 0.00 N ATOM 2299 CA MET B 506 14.821 -5.358 21.764 1.00 0.00 C ATOM 2300 C MET B 506 14.193 -4.121 22.408 1.00 0.00 C ATOM 2301 O MET B 506 14.635 -3.674 23.471 1.00 0.00 O ATOM 2302 CB MET B 506 14.120 -6.629 22.261 1.00 0.00 C ATOM 2303 CG MET B 506 12.915 -7.038 21.424 1.00 0.00 C ATOM 2304 SD MET B 506 12.126 -8.541 22.032 1.00 0.00 S ATOM 2305 CE MET B 506 10.802 -8.733 20.842 1.00 0.00 C ATOM 0 H MET B 506 16.467 -5.778 22.994 1.00 0.00 H new ATOM 0 HA MET B 506 14.695 -5.286 20.684 1.00 0.00 H new ATOM 0 HB2 MET B 506 14.839 -7.448 22.270 1.00 0.00 H new ATOM 0 HB3 MET B 506 13.799 -6.476 23.291 1.00 0.00 H new ATOM 0 HG2 MET B 506 12.188 -6.226 21.420 1.00 0.00 H new ATOM 0 HG3 MET B 506 13.229 -7.189 20.391 1.00 0.00 H new ATOM 0 HE1 MET B 506 10.221 -9.623 21.084 1.00 0.00 H new ATOM 0 HE2 MET B 506 10.154 -7.857 20.874 1.00 0.00 H new ATOM 0 HE3 MET B 506 11.224 -8.836 19.842 1.00 0.00 H new ATOM 2315 N ARG B 507 13.161 -3.580 21.752 1.00 0.00 N ATOM 2316 CA ARG B 507 12.459 -2.391 22.244 1.00 0.00 C ATOM 2317 C ARG B 507 11.173 -2.780 22.996 1.00 0.00 C ATOM 2318 O ARG B 507 10.630 -3.861 22.748 1.00 0.00 O ATOM 2319 CB ARG B 507 12.119 -1.451 21.082 1.00 0.00 C ATOM 2320 CG ARG B 507 13.322 -0.708 20.518 1.00 0.00 C ATOM 2321 CD ARG B 507 12.927 0.198 19.363 1.00 0.00 C ATOM 2322 NE ARG B 507 14.079 0.921 18.813 1.00 0.00 N ATOM 2323 CZ ARG B 507 14.025 1.764 17.772 1.00 0.00 C ATOM 2324 NH1 ARG B 507 12.877 2.010 17.142 1.00 0.00 N ATOM 2325 NH2 ARG B 507 15.132 2.365 17.358 1.00 0.00 N ATOM 0 H ARG B 507 12.793 -3.949 20.875 1.00 0.00 H new ATOM 0 HA ARG B 507 13.122 -1.874 22.938 1.00 0.00 H new ATOM 0 HB2 ARG B 507 11.654 -2.029 20.283 1.00 0.00 H new ATOM 0 HB3 ARG B 507 11.381 -0.724 21.420 1.00 0.00 H new ATOM 0 HG2 ARG B 507 13.786 -0.114 21.305 1.00 0.00 H new ATOM 0 HG3 ARG B 507 14.068 -1.426 20.179 1.00 0.00 H new ATOM 0 HD2 ARG B 507 12.464 -0.398 18.577 1.00 0.00 H new ATOM 0 HD3 ARG B 507 12.179 0.914 19.703 1.00 0.00 H new ATOM 0 HE ARG B 507 14.986 0.772 19.254 1.00 0.00 H new ATOM 0 HH11 ARG B 507 12.018 1.554 17.450 1.00 0.00 H new ATOM 0 HH12 ARG B 507 12.857 2.655 16.352 1.00 0.00 H new ATOM 0 HH21 ARG B 507 16.018 2.185 17.831 1.00 0.00 H new ATOM 0 HH22 ARG B 507 15.098 3.008 16.567 1.00 0.00 H new ATOM 2339 N PRO B 508 10.654 -1.914 23.929 1.00 0.00 N ATOM 2340 CA PRO B 508 9.424 -2.209 24.693 1.00 0.00 C ATOM 2341 C PRO B 508 8.139 -1.994 23.882 1.00 0.00 C ATOM 2342 O PRO B 508 7.113 -2.618 24.164 1.00 0.00 O ATOM 2343 CB PRO B 508 9.469 -1.216 25.869 1.00 0.00 C ATOM 2344 CG PRO B 508 10.778 -0.499 25.768 1.00 0.00 C ATOM 2345 CD PRO B 508 11.204 -0.601 24.333 1.00 0.00 C ATOM 0 HA PRO B 508 9.398 -3.257 24.993 1.00 0.00 H new ATOM 0 HB2 PRO B 508 8.637 -0.514 25.816 1.00 0.00 H new ATOM 0 HB3 PRO B 508 9.385 -1.739 26.822 1.00 0.00 H new ATOM 0 HG2 PRO B 508 10.675 0.543 26.070 1.00 0.00 H new ATOM 0 HG3 PRO B 508 11.520 -0.950 26.427 1.00 0.00 H new ATOM 0 HD2 PRO B 508 10.798 0.212 23.730 1.00 0.00 H new ATOM 0 HD3 PRO B 508 12.288 -0.565 24.228 1.00 0.00 H new ATOM 2353 N LYS B 509 8.212 -1.101 22.869 1.00 0.00 N ATOM 2354 CA LYS B 509 7.071 -0.759 21.982 1.00 0.00 C ATOM 2355 C LYS B 509 5.933 -0.087 22.757 1.00 0.00 C ATOM 2356 O LYS B 509 5.420 -0.644 23.732 1.00 0.00 O ATOM 2357 CB LYS B 509 6.537 -1.992 21.226 1.00 0.00 C ATOM 2358 CG LYS B 509 7.481 -2.511 20.151 1.00 0.00 C ATOM 2359 CD LYS B 509 6.900 -3.718 19.435 1.00 0.00 C ATOM 2360 CE LYS B 509 7.841 -4.234 18.358 1.00 0.00 C ATOM 2361 NZ LYS B 509 7.278 -5.415 17.647 1.00 0.00 N ATOM 0 H LYS B 509 9.067 -0.594 22.641 1.00 0.00 H new ATOM 0 HA LYS B 509 7.455 -0.051 21.248 1.00 0.00 H new ATOM 0 HB2 LYS B 509 6.344 -2.790 21.943 1.00 0.00 H new ATOM 0 HB3 LYS B 509 5.582 -1.739 20.766 1.00 0.00 H new ATOM 0 HG2 LYS B 509 7.681 -1.720 19.429 1.00 0.00 H new ATOM 0 HG3 LYS B 509 8.436 -2.780 20.603 1.00 0.00 H new ATOM 0 HD2 LYS B 509 6.703 -4.510 20.157 1.00 0.00 H new ATOM 0 HD3 LYS B 509 5.944 -3.450 18.986 1.00 0.00 H new ATOM 0 HE2 LYS B 509 8.041 -3.439 17.639 1.00 0.00 H new ATOM 0 HE3 LYS B 509 8.796 -4.503 18.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 7.950 -5.736 16.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 7.111 -6.183 18.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 6.379 -5.152 17.195 1.00 0.00 H new ATOM 2375 N ARG B 510 5.553 1.113 22.308 1.00 0.00 N ATOM 2376 CA ARG B 510 4.482 1.886 22.946 1.00 0.00 C ATOM 2377 C ARG B 510 3.183 1.810 22.142 1.00 0.00 C ATOM 2378 O ARG B 510 2.097 1.703 22.721 1.00 0.00 O ATOM 2379 CB ARG B 510 4.905 3.354 23.118 1.00 0.00 C ATOM 2380 CG ARG B 510 5.980 3.578 24.180 1.00 0.00 C ATOM 2381 CD ARG B 510 5.382 3.742 25.571 1.00 0.00 C ATOM 2382 NE ARG B 510 6.413 3.957 26.592 1.00 0.00 N ATOM 2383 CZ ARG B 510 6.169 4.172 27.893 1.00 0.00 C ATOM 2384 NH1 ARG B 510 4.923 4.206 28.363 1.00 0.00 N ATOM 2385 NH2 ARG B 510 7.182 4.355 28.728 1.00 0.00 N ATOM 0 H ARG B 510 5.974 1.573 21.500 1.00 0.00 H new ATOM 0 HA ARG B 510 4.301 1.448 23.928 1.00 0.00 H new ATOM 0 HB2 ARG B 510 5.271 3.729 22.162 1.00 0.00 H new ATOM 0 HB3 ARG B 510 4.027 3.945 23.377 1.00 0.00 H new ATOM 0 HG2 ARG B 510 6.671 2.735 24.180 1.00 0.00 H new ATOM 0 HG3 ARG B 510 6.560 4.466 23.928 1.00 0.00 H new ATOM 0 HD2 ARG B 510 4.691 4.585 25.571 1.00 0.00 H new ATOM 0 HD3 ARG B 510 4.802 2.854 25.823 1.00 0.00 H new ATOM 0 HE ARG B 510 7.387 3.942 26.290 1.00 0.00 H new ATOM 0 HH11 ARG B 510 4.135 4.067 27.730 1.00 0.00 H new ATOM 0 HH12 ARG B 510 4.757 4.371 29.356 1.00 0.00 H new ATOM 0 HH21 ARG B 510 8.140 4.332 28.380 1.00 0.00 H new ATOM 0 HH22 ARG B 510 7.003 4.519 29.719 1.00 0.00 H new ATOM 2399 N ARG B 511 3.304 1.867 20.808 1.00 0.00 N ATOM 2400 CA ARG B 511 2.144 1.810 19.913 1.00 0.00 C ATOM 2401 C ARG B 511 1.880 0.382 19.442 1.00 0.00 C ATOM 2402 O ARG B 511 2.816 -0.404 19.267 1.00 0.00 O ATOM 2403 CB ARG B 511 2.354 2.725 18.701 1.00 0.00 C ATOM 2404 CG ARG B 511 2.239 4.209 19.022 1.00 0.00 C ATOM 2405 CD ARG B 511 2.464 5.065 17.787 1.00 0.00 C ATOM 2406 NE ARG B 511 2.355 6.498 18.084 1.00 0.00 N ATOM 2407 CZ ARG B 511 2.553 7.480 17.192 1.00 0.00 C ATOM 2408 NH1 ARG B 511 2.874 7.210 15.928 1.00 0.00 N ATOM 2409 NH2 ARG B 511 2.427 8.744 17.573 1.00 0.00 N ATOM 0 H ARG B 511 4.198 1.953 20.325 1.00 0.00 H new ATOM 0 HA ARG B 511 1.276 2.154 20.475 1.00 0.00 H new ATOM 0 HB2 ARG B 511 3.339 2.530 18.277 1.00 0.00 H new ATOM 0 HB3 ARG B 511 1.621 2.471 17.935 1.00 0.00 H new ATOM 0 HG2 ARG B 511 1.252 4.417 19.436 1.00 0.00 H new ATOM 0 HG3 ARG B 511 2.968 4.474 19.788 1.00 0.00 H new ATOM 0 HD2 ARG B 511 3.451 4.854 17.375 1.00 0.00 H new ATOM 0 HD3 ARG B 511 1.735 4.797 17.022 1.00 0.00 H new ATOM 0 HE ARG B 511 2.111 6.767 19.037 1.00 0.00 H new ATOM 0 HH11 ARG B 511 2.973 6.242 15.623 1.00 0.00 H new ATOM 0 HH12 ARG B 511 3.020 7.971 15.265 1.00 0.00 H new ATOM 0 HH21 ARG B 511 2.181 8.964 18.538 1.00 0.00 H new ATOM 0 HH22 ARG B 511 2.576 9.497 16.901 1.00 0.00 H new ATOM 2423 N GLU B 512 0.597 0.063 19.242 1.00 0.00 N ATOM 2424 CA GLU B 512 0.182 -1.268 18.792 1.00 0.00 C ATOM 2425 C GLU B 512 -0.619 -1.178 17.489 1.00 0.00 C ATOM 2426 O GLU B 512 -1.155 -0.117 17.157 1.00 0.00 O ATOM 2427 CB GLU B 512 -0.641 -1.971 19.882 1.00 0.00 C ATOM 2428 CG GLU B 512 0.177 -2.401 21.092 1.00 0.00 C ATOM 2429 CD GLU B 512 -0.663 -3.090 22.148 1.00 0.00 C ATOM 2430 OE1 GLU B 512 -1.197 -2.389 23.033 1.00 0.00 O ATOM 2431 OE2 GLU B 512 -0.788 -4.331 22.091 1.00 0.00 O ATOM 0 H GLU B 512 -0.175 0.713 19.386 1.00 0.00 H new ATOM 0 HA GLU B 512 1.079 -1.857 18.600 1.00 0.00 H new ATOM 0 HB2 GLU B 512 -1.435 -1.302 20.212 1.00 0.00 H new ATOM 0 HB3 GLU B 512 -1.122 -2.849 19.451 1.00 0.00 H new ATOM 0 HG2 GLU B 512 0.971 -3.074 20.769 1.00 0.00 H new ATOM 0 HG3 GLU B 512 0.659 -1.527 21.530 1.00 0.00 H new ATOM 2438 N ILE B 513 -0.705 -2.320 16.770 1.00 0.00 N ATOM 2439 CA ILE B 513 -1.415 -2.453 15.469 1.00 0.00 C ATOM 2440 C ILE B 513 -1.260 -1.210 14.546 1.00 0.00 C ATOM 2441 O ILE B 513 -2.176 -0.385 14.449 1.00 0.00 O ATOM 2442 CB ILE B 513 -2.928 -2.857 15.598 1.00 0.00 C ATOM 2443 CG1 ILE B 513 -3.762 -1.906 16.519 1.00 0.00 C ATOM 2444 CG2 ILE B 513 -3.051 -4.321 16.024 1.00 0.00 C ATOM 2445 CD1 ILE B 513 -3.664 -2.154 18.020 1.00 0.00 C ATOM 0 H ILE B 513 -0.277 -3.193 17.079 1.00 0.00 H new ATOM 0 HA ILE B 513 -0.904 -3.288 14.989 1.00 0.00 H new ATOM 0 HB ILE B 513 -3.369 -2.741 14.608 1.00 0.00 H new ATOM 0 HG12 ILE B 513 -3.450 -0.880 16.322 1.00 0.00 H new ATOM 0 HG13 ILE B 513 -4.810 -1.982 16.228 1.00 0.00 H new ATOM 0 HG21 ILE B 513 -4.104 -4.588 16.110 1.00 0.00 H new ATOM 0 HG22 ILE B 513 -2.575 -4.958 15.279 1.00 0.00 H new ATOM 0 HG23 ILE B 513 -2.562 -4.462 16.988 1.00 0.00 H new ATOM 0 HD11 ILE B 513 -4.286 -1.432 18.549 1.00 0.00 H new ATOM 0 HD12 ILE B 513 -4.008 -3.163 18.245 1.00 0.00 H new ATOM 0 HD13 ILE B 513 -2.628 -2.044 18.340 1.00 0.00 H new ATOM 2457 N PRO B 514 -0.081 -1.051 13.865 1.00 0.00 N ATOM 2458 CA PRO B 514 0.174 0.085 12.956 1.00 0.00 C ATOM 2459 C PRO B 514 -0.510 -0.081 11.593 1.00 0.00 C ATOM 2460 O PRO B 514 -1.029 -1.158 11.281 1.00 0.00 O ATOM 2461 CB PRO B 514 1.708 0.081 12.788 1.00 0.00 C ATOM 2462 CG PRO B 514 2.232 -0.972 13.712 1.00 0.00 C ATOM 2463 CD PRO B 514 1.102 -1.932 13.936 1.00 0.00 C ATOM 0 HA PRO B 514 -0.223 1.016 13.360 1.00 0.00 H new ATOM 0 HB2 PRO B 514 1.985 -0.135 11.756 1.00 0.00 H new ATOM 0 HB3 PRO B 514 2.128 1.057 13.033 1.00 0.00 H new ATOM 0 HG2 PRO B 514 3.093 -1.479 13.276 1.00 0.00 H new ATOM 0 HG3 PRO B 514 2.563 -0.534 14.654 1.00 0.00 H new ATOM 0 HD2 PRO B 514 1.074 -2.712 13.175 1.00 0.00 H new ATOM 0 HD3 PRO B 514 1.179 -2.432 14.902 1.00 0.00 H new ATOM 2471 N LEU B 515 -0.503 0.995 10.790 1.00 0.00 N ATOM 2472 CA LEU B 515 -1.116 0.985 9.455 1.00 0.00 C ATOM 2473 C LEU B 515 -0.156 0.408 8.400 1.00 0.00 C ATOM 2474 O LEU B 515 -0.315 -0.748 8.002 1.00 0.00 O ATOM 2475 CB LEU B 515 -1.613 2.389 9.064 1.00 0.00 C ATOM 2476 CG LEU B 515 -0.634 3.539 9.287 1.00 0.00 C ATOM 2477 CD1 LEU B 515 -0.297 4.206 7.962 1.00 0.00 C ATOM 2478 CD2 LEU B 515 -1.196 4.503 10.321 1.00 0.00 C ATOM 0 H LEU B 515 -0.077 1.886 11.045 1.00 0.00 H new ATOM 0 HA LEU B 515 -1.985 0.328 9.492 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -1.888 2.373 8.009 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -2.522 2.599 9.627 1.00 0.00 H new ATOM 0 HG LEU B 515 0.305 3.159 9.689 1.00 0.00 H new ATOM 0 HD11 LEU B 515 0.402 5.025 8.134 1.00 0.00 H new ATOM 0 HD12 LEU B 515 0.157 3.476 7.292 1.00 0.00 H new ATOM 0 HD13 LEU B 515 -1.208 4.596 7.509 1.00 0.00 H new ATOM 0 HD21 LEU B 515 -0.493 5.321 10.476 1.00 0.00 H new ATOM 0 HD22 LEU B 515 -2.146 4.903 9.967 1.00 0.00 H new ATOM 0 HD23 LEU B 515 -1.352 3.976 11.262 1.00 0.00 H new ATOM 2490 N LYS B 516 0.860 1.210 7.982 1.00 0.00 N ATOM 2491 CA LYS B 516 1.868 0.827 6.965 1.00 0.00 C ATOM 2492 C LYS B 516 1.295 -0.045 5.824 1.00 0.00 C ATOM 2493 O LYS B 516 1.983 -0.920 5.280 1.00 0.00 O ATOM 2494 CB LYS B 516 3.028 0.129 7.675 1.00 0.00 C ATOM 2495 CG LYS B 516 4.155 1.070 8.063 1.00 0.00 C ATOM 2496 CD LYS B 516 5.170 0.384 8.963 1.00 0.00 C ATOM 2497 CE LYS B 516 6.274 1.339 9.386 1.00 0.00 C ATOM 2498 NZ LYS B 516 7.274 0.676 10.267 1.00 0.00 N ATOM 0 H LYS B 516 1.001 2.151 8.349 1.00 0.00 H new ATOM 0 HA LYS B 516 2.216 1.735 6.473 1.00 0.00 H new ATOM 0 HB2 LYS B 516 2.651 -0.363 8.572 1.00 0.00 H new ATOM 0 HB3 LYS B 516 3.424 -0.651 7.025 1.00 0.00 H new ATOM 0 HG2 LYS B 516 4.652 1.434 7.164 1.00 0.00 H new ATOM 0 HG3 LYS B 516 3.744 1.940 8.574 1.00 0.00 H new ATOM 0 HD2 LYS B 516 4.668 -0.008 9.847 1.00 0.00 H new ATOM 0 HD3 LYS B 516 5.605 -0.468 8.440 1.00 0.00 H new ATOM 0 HE2 LYS B 516 6.774 1.731 8.500 1.00 0.00 H new ATOM 0 HE3 LYS B 516 5.837 2.190 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 8.010 1.361 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 6.802 0.324 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 7.710 -0.121 9.760 1.00 0.00 H new ATOM 2512 N VAL B 517 0.035 0.228 5.457 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.661 -0.527 4.405 1.00 0.00 C ATOM 2514 C VAL B 517 -1.470 0.382 3.497 1.00 0.00 C ATOM 2515 O VAL B 517 -1.521 0.188 2.287 1.00 0.00 O ATOM 2516 CB VAL B 517 -1.576 -1.644 4.995 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -0.737 -2.728 5.653 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -2.582 -1.081 6.000 1.00 0.00 C ATOM 0 H VAL B 517 -0.526 0.970 5.876 1.00 0.00 H new ATOM 0 HA VAL B 517 0.117 -1.004 3.808 1.00 0.00 H new ATOM 0 HB VAL B 517 -2.136 -2.077 4.166 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -1.392 -3.499 6.059 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -0.070 -3.171 4.913 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -0.147 -2.292 6.459 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -3.200 -1.890 6.388 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -2.047 -0.606 6.823 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -3.216 -0.344 5.506 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.092 1.373 4.110 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.905 2.370 3.430 1.00 0.00 C ATOM 2530 C LEU B 518 -2.106 3.209 2.416 1.00 0.00 C ATOM 2531 O LEU B 518 -2.648 4.106 1.768 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.567 3.238 4.502 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.857 2.668 5.153 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -5.522 1.599 4.287 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.562 2.102 6.535 1.00 0.00 C ATOM 0 H LEU B 518 -2.046 1.512 5.119 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.664 1.867 2.831 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.838 3.421 5.292 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.806 4.205 4.059 1.00 0.00 H new ATOM 0 HG LEU B 518 -5.554 3.501 5.245 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.419 1.233 4.786 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.793 2.029 3.323 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.829 0.772 4.134 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -5.480 1.709 6.971 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -3.828 1.300 6.451 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -4.166 2.891 7.174 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.818 2.886 2.298 1.00 0.00 N ATOM 2548 CA VAL B 519 0.098 3.524 1.355 1.00 0.00 C ATOM 2549 C VAL B 519 0.964 2.430 0.732 1.00 0.00 C ATOM 2550 O VAL B 519 1.358 2.531 -0.434 1.00 0.00 O ATOM 2551 CB VAL B 519 0.973 4.638 2.015 1.00 0.00 C ATOM 2552 CG1 VAL B 519 1.874 5.330 0.984 1.00 0.00 C ATOM 2553 CG2 VAL B 519 0.104 5.693 2.694 1.00 0.00 C ATOM 0 H VAL B 519 -0.376 2.162 2.864 1.00 0.00 H new ATOM 0 HA VAL B 519 -0.483 4.035 0.588 1.00 0.00 H new ATOM 0 HB VAL B 519 1.596 4.145 2.761 1.00 0.00 H new ATOM 0 HG11 VAL B 519 2.468 6.099 1.478 1.00 0.00 H new ATOM 0 HG12 VAL B 519 2.538 4.595 0.529 1.00 0.00 H new ATOM 0 HG13 VAL B 519 1.257 5.789 0.211 1.00 0.00 H new ATOM 0 HG21 VAL B 519 0.741 6.454 3.144 1.00 0.00 H new ATOM 0 HG22 VAL B 519 -0.549 6.157 1.955 1.00 0.00 H new ATOM 0 HG23 VAL B 519 -0.501 5.222 3.469 1.00 0.00 H new ATOM 2563 N LYS B 520 1.261 1.387 1.528 1.00 0.00 N ATOM 2564 CA LYS B 520 2.011 0.236 1.063 1.00 0.00 C ATOM 2565 C LYS B 520 1.201 -0.581 0.061 1.00 0.00 C ATOM 2566 O LYS B 520 1.763 -1.311 -0.762 1.00 0.00 O ATOM 2567 CB LYS B 520 2.416 -0.624 2.249 1.00 0.00 C ATOM 2568 CG LYS B 520 3.916 -0.860 2.322 1.00 0.00 C ATOM 2569 CD LYS B 520 4.482 -1.491 1.042 1.00 0.00 C ATOM 2570 CE LYS B 520 5.993 -1.346 0.971 1.00 0.00 C ATOM 2571 NZ LYS B 520 6.551 -1.943 -0.274 1.00 0.00 N ATOM 0 H LYS B 520 0.983 1.331 2.508 1.00 0.00 H new ATOM 0 HA LYS B 520 2.908 0.589 0.554 1.00 0.00 H new ATOM 0 HB2 LYS B 520 2.083 -0.145 3.170 1.00 0.00 H new ATOM 0 HB3 LYS B 520 1.904 -1.585 2.187 1.00 0.00 H new ATOM 0 HG2 LYS B 520 4.420 0.089 2.507 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.136 -1.509 3.170 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.215 -2.547 1.007 1.00 0.00 H new ATOM 0 HD3 LYS B 520 4.029 -1.018 0.171 1.00 0.00 H new ATOM 0 HE2 LYS B 520 6.259 -0.290 1.018 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.445 -1.827 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.584 -1.823 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 6.320 -2.956 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 6.139 -1.467 -1.102 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.130 -0.442 0.150 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.057 -1.090 -0.772 1.00 0.00 C ATOM 2587 C ALA B 521 -1.234 -0.189 -1.996 1.00 0.00 C ATOM 2588 O ALA B 521 -2.158 -0.338 -2.804 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.383 -1.352 -0.084 1.00 0.00 C ATOM 0 H ALA B 521 -0.588 0.124 0.865 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.660 -2.053 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.066 -1.836 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -2.224 -2.001 0.777 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.813 -0.407 0.249 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.281 0.734 -2.095 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.204 1.735 -3.134 1.00 0.00 C ATOM 2597 C VAL B 522 1.219 1.754 -3.715 1.00 0.00 C ATOM 2598 O VAL B 522 1.410 2.148 -4.869 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.594 3.164 -2.637 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.980 4.056 -3.809 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.739 3.125 -1.627 1.00 0.00 C ATOM 0 H VAL B 522 0.484 0.800 -1.424 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.929 1.463 -3.901 1.00 0.00 H new ATOM 0 HB VAL B 522 0.284 3.577 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.248 5.046 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.137 4.140 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.832 3.621 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.978 4.140 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.617 2.674 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -1.441 2.533 -0.762 1.00 0.00 H new ATOM 2611 N LEU B 523 2.218 1.325 -2.903 1.00 0.00 N ATOM 2612 CA LEU B 523 3.610 1.264 -3.348 1.00 0.00 C ATOM 2613 C LEU B 523 3.856 -0.071 -4.040 1.00 0.00 C ATOM 2614 O LEU B 523 4.919 -0.305 -4.622 1.00 0.00 O ATOM 2615 CB LEU B 523 4.561 1.432 -2.161 1.00 0.00 C ATOM 2616 CG LEU B 523 4.381 2.739 -1.382 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.612 2.530 0.103 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.312 3.822 -1.901 1.00 0.00 C ATOM 0 H LEU B 523 2.073 1.019 -1.941 1.00 0.00 H new ATOM 0 HA LEU B 523 3.799 2.076 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.420 0.594 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.587 1.379 -2.524 1.00 0.00 H new ATOM 0 HG LEU B 523 3.351 3.063 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.477 3.475 0.629 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.899 1.799 0.483 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.626 2.166 0.266 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.161 4.737 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.346 3.494 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.098 4.013 -2.953 1.00 0.00 H new ATOM 2630 N PHE B 524 2.845 -0.947 -3.946 1.00 0.00 N ATOM 2631 CA PHE B 524 2.879 -2.261 -4.571 1.00 0.00 C ATOM 2632 C PHE B 524 2.495 -2.163 -6.060 1.00 0.00 C ATOM 2633 O PHE B 524 3.076 -2.844 -6.909 1.00 0.00 O ATOM 2634 CB PHE B 524 1.941 -3.224 -3.801 1.00 0.00 C ATOM 2635 CG PHE B 524 0.946 -3.967 -4.657 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.317 -3.446 -4.881 1.00 0.00 C ATOM 2637 CD2 PHE B 524 1.286 -5.170 -5.249 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.223 -4.113 -5.680 1.00 0.00 C ATOM 2639 CE2 PHE B 524 0.383 -5.843 -6.046 1.00 0.00 C ATOM 2640 CZ PHE B 524 -0.873 -5.315 -6.263 1.00 0.00 C ATOM 0 H PHE B 524 1.984 -0.757 -3.433 1.00 0.00 H new ATOM 0 HA PHE B 524 3.893 -2.659 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.552 -3.951 -3.266 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.396 -2.652 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.596 -2.507 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE B 524 2.269 -5.587 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.205 -3.696 -5.849 1.00 0.00 H new ATOM 0 HE2 PHE B 524 0.659 -6.783 -6.500 1.00 0.00 H new ATOM 0 HZ PHE B 524 -1.581 -5.840 -6.887 1.00 0.00 H new ATOM 2650 N ALA B 525 1.508 -1.301 -6.343 1.00 0.00 N ATOM 2651 CA ALA B 525 0.993 -1.088 -7.700 1.00 0.00 C ATOM 2652 C ALA B 525 1.850 -0.104 -8.516 1.00 0.00 C ATOM 2653 O ALA B 525 1.604 0.084 -9.713 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.444 -0.590 -7.615 1.00 0.00 C ATOM 0 H ALA B 525 1.045 -0.732 -5.635 1.00 0.00 H new ATOM 0 HA ALA B 525 1.034 -2.043 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -0.833 -0.429 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.057 -1.332 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.472 0.348 -7.061 1.00 0.00 H new ATOM 2660 N CYS B 526 2.863 0.510 -7.874 1.00 0.00 N ATOM 2661 CA CYS B 526 3.755 1.476 -8.547 1.00 0.00 C ATOM 2662 C CYS B 526 4.728 0.800 -9.540 1.00 0.00 C ATOM 2663 O CYS B 526 5.517 1.486 -10.202 1.00 0.00 O ATOM 2664 CB CYS B 526 4.557 2.269 -7.500 1.00 0.00 C ATOM 2665 SG CYS B 526 5.885 1.328 -6.705 1.00 0.00 S ATOM 0 H CYS B 526 3.084 0.355 -6.891 1.00 0.00 H new ATOM 0 HA CYS B 526 3.118 2.147 -9.122 1.00 0.00 H new ATOM 0 HB2 CYS B 526 4.988 3.148 -7.979 1.00 0.00 H new ATOM 0 HB3 CYS B 526 3.873 2.628 -6.732 1.00 0.00 H new ATOM 0 HG CYS B 526 5.370 0.429 -5.919 1.00 0.00 H new ATOM 2671 N MET B 527 4.657 -0.533 -9.647 1.00 0.00 N ATOM 2672 CA MET B 527 5.550 -1.291 -10.529 1.00 0.00 C ATOM 2673 C MET B 527 4.806 -1.967 -11.697 1.00 0.00 C ATOM 2674 O MET B 527 5.451 -2.445 -12.636 1.00 0.00 O ATOM 2675 CB MET B 527 6.305 -2.339 -9.700 1.00 0.00 C ATOM 2676 CG MET B 527 7.613 -2.828 -10.328 1.00 0.00 C ATOM 2677 SD MET B 527 7.578 -4.588 -10.730 1.00 0.00 S ATOM 2678 CE MET B 527 7.751 -5.325 -9.105 1.00 0.00 C ATOM 0 H MET B 527 3.990 -1.108 -9.133 1.00 0.00 H new ATOM 0 HA MET B 527 6.250 -0.586 -10.977 1.00 0.00 H new ATOM 0 HB2 MET B 527 6.524 -1.918 -8.719 1.00 0.00 H new ATOM 0 HB3 MET B 527 5.651 -3.196 -9.540 1.00 0.00 H new ATOM 0 HG2 MET B 527 7.812 -2.256 -11.235 1.00 0.00 H new ATOM 0 HG3 MET B 527 8.436 -2.633 -9.641 1.00 0.00 H new ATOM 0 HE1 MET B 527 7.517 -6.388 -9.161 1.00 0.00 H new ATOM 0 HE2 MET B 527 8.775 -5.197 -8.754 1.00 0.00 H new ATOM 0 HE3 MET B 527 7.066 -4.839 -8.410 1.00 0.00 H new ATOM 2688 N LEU B 528 3.460 -2.009 -11.640 1.00 0.00 N ATOM 2689 CA LEU B 528 2.637 -2.636 -12.695 1.00 0.00 C ATOM 2690 C LEU B 528 2.906 -2.058 -14.093 1.00 0.00 C ATOM 2691 O LEU B 528 2.891 -2.795 -15.084 1.00 0.00 O ATOM 2692 CB LEU B 528 1.148 -2.498 -12.369 1.00 0.00 C ATOM 2693 CG LEU B 528 0.729 -3.093 -11.025 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.570 -2.468 -10.543 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.589 -4.606 -11.105 1.00 0.00 C ATOM 0 H LEU B 528 2.917 -1.615 -10.872 1.00 0.00 H new ATOM 0 HA LEU B 528 2.921 -3.688 -12.715 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.884 -1.440 -12.380 1.00 0.00 H new ATOM 0 HB3 LEU B 528 0.571 -2.979 -13.159 1.00 0.00 H new ATOM 0 HG LEU B 528 1.516 -2.866 -10.306 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.851 -2.905 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.435 -1.393 -10.425 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.357 -2.657 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.290 -4.996 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU B 528 -0.167 -4.863 -11.847 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.544 -5.045 -11.394 1.00 0.00 H new ATOM 2707 N MET B 529 3.149 -0.743 -14.157 1.00 0.00 N ATOM 2708 CA MET B 529 3.417 -0.059 -15.428 1.00 0.00 C ATOM 2709 C MET B 529 4.903 0.280 -15.595 1.00 0.00 C ATOM 2710 O MET B 529 5.459 0.110 -16.684 1.00 0.00 O ATOM 2711 CB MET B 529 2.550 1.210 -15.576 1.00 0.00 C ATOM 2712 CG MET B 529 2.511 2.114 -14.346 1.00 0.00 C ATOM 2713 SD MET B 529 3.902 3.259 -14.273 1.00 0.00 S ATOM 2714 CE MET B 529 3.542 4.133 -12.752 1.00 0.00 C ATOM 0 H MET B 529 3.165 -0.130 -13.342 1.00 0.00 H new ATOM 0 HA MET B 529 3.146 -0.753 -16.223 1.00 0.00 H new ATOM 0 HB2 MET B 529 2.922 1.789 -16.422 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.531 0.909 -15.819 1.00 0.00 H new ATOM 0 HG2 MET B 529 1.580 2.681 -14.347 1.00 0.00 H new ATOM 0 HG3 MET B 529 2.507 1.497 -13.448 1.00 0.00 H new ATOM 0 HE1 MET B 529 4.316 4.878 -12.569 1.00 0.00 H new ATOM 0 HE2 MET B 529 2.574 4.628 -12.837 1.00 0.00 H new ATOM 0 HE3 MET B 529 3.516 3.426 -11.923 1.00 0.00 H new ATOM 2724 N ARG B 530 5.539 0.750 -14.497 1.00 0.00 N ATOM 2725 CA ARG B 530 6.968 1.141 -14.462 1.00 0.00 C ATOM 2726 C ARG B 530 7.396 2.032 -15.653 1.00 0.00 C ATOM 2727 O ARG B 530 8.558 2.012 -16.077 1.00 0.00 O ATOM 2728 CB ARG B 530 7.838 -0.116 -14.370 1.00 0.00 C ATOM 2729 CG ARG B 530 8.721 -0.146 -13.134 1.00 0.00 C ATOM 2730 CD ARG B 530 9.564 -1.412 -13.068 1.00 0.00 C ATOM 2731 NE ARG B 530 10.680 -1.388 -14.023 1.00 0.00 N ATOM 2732 CZ ARG B 530 11.703 -2.256 -14.024 1.00 0.00 C ATOM 2733 NH1 ARG B 530 11.777 -3.234 -13.123 1.00 0.00 N ATOM 2734 NH2 ARG B 530 12.659 -2.140 -14.936 1.00 0.00 N ATOM 0 H ARG B 530 5.069 0.870 -13.600 1.00 0.00 H new ATOM 0 HA ARG B 530 7.113 1.757 -13.575 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.194 -0.996 -14.370 1.00 0.00 H new ATOM 0 HB3 ARG B 530 8.466 -0.181 -15.259 1.00 0.00 H new ATOM 0 HG2 ARG B 530 9.375 0.726 -13.134 1.00 0.00 H new ATOM 0 HG3 ARG B 530 8.099 -0.077 -12.242 1.00 0.00 H new ATOM 0 HD2 ARG B 530 9.955 -1.533 -12.058 1.00 0.00 H new ATOM 0 HD3 ARG B 530 8.933 -2.277 -13.271 1.00 0.00 H new ATOM 0 HE ARG B 530 10.677 -0.659 -14.737 1.00 0.00 H new ATOM 0 HH11 ARG B 530 11.048 -3.333 -12.416 1.00 0.00 H new ATOM 0 HH12 ARG B 530 12.563 -3.884 -13.140 1.00 0.00 H new ATOM 0 HH21 ARG B 530 12.613 -1.394 -15.631 1.00 0.00 H new ATOM 0 HH22 ARG B 530 13.440 -2.796 -14.943 1.00 0.00 H new ATOM 2748 N LYS B 531 6.441 2.842 -16.163 1.00 0.00 N ATOM 2749 CA LYS B 531 6.659 3.765 -17.305 1.00 0.00 C ATOM 2750 C LYS B 531 7.084 3.019 -18.579 1.00 0.00 C ATOM 2751 O LYS B 531 6.273 2.971 -19.528 1.00 0.00 O ATOM 2752 CB LYS B 531 7.688 4.866 -16.958 1.00 0.00 C ATOM 2753 CG LYS B 531 7.207 5.884 -15.921 1.00 0.00 C ATOM 2754 CD LYS B 531 6.338 6.983 -16.535 1.00 0.00 C ATOM 2755 CE LYS B 531 4.880 6.830 -16.130 1.00 0.00 C ATOM 2756 NZ LYS B 531 4.027 7.905 -16.708 1.00 0.00 N ATOM 2757 OXT LYS B 531 8.214 2.483 -18.613 1.00 0.00 O ATOM 0 H LYS B 531 5.491 2.875 -15.793 1.00 0.00 H new ATOM 0 HA LYS B 531 5.699 4.242 -17.503 1.00 0.00 H new ATOM 0 HB2 LYS B 531 8.597 4.392 -16.588 1.00 0.00 H new ATOM 0 HB3 LYS B 531 7.955 5.397 -17.872 1.00 0.00 H new ATOM 0 HG2 LYS B 531 6.640 5.368 -15.146 1.00 0.00 H new ATOM 0 HG3 LYS B 531 8.071 6.338 -15.435 1.00 0.00 H new ATOM 0 HD2 LYS B 531 6.705 7.959 -16.217 1.00 0.00 H new ATOM 0 HD3 LYS B 531 6.421 6.950 -17.621 1.00 0.00 H new ATOM 0 HE2 LYS B 531 4.512 5.858 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS B 531 4.801 6.849 -15.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 3.041 7.765 -16.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 4.362 8.831 -16.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 4.081 7.871 -17.746 1.00 0.00 H new TER 2771 LYS B 531