USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 961 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 206 ASN : amide:sc= -0.945 K(o=-0.98,f=-0.3) USER MOD Set 1.2: B 207 SER OG : rot 180:sc= -0.0336 USER MOD Set 2.1: A 96 SER OG : rot -82:sc= 0.59 USER MOD Set 2.2: B 187 HIS : no HD1:sc= 1.43 K(o=2,f=-5!) USER MOD Set 3.1: A 55 THR OG1 : rot 87:sc= 0.969 USER MOD Set 3.2: A 95 LYS NZ :NH3+ -143:sc= 2.64 (180deg=0.798) USER MOD Set 4.1: A 69 LYS NZ :NH3+ 166:sc= 1.08! (180deg=-1.07!) USER MOD Set 4.2: A 76 THR OG1 : rot -170:sc= 1.03 USER MOD Set 5.1: A 7 MET CE :methyl 179:sc= -0.863 (180deg=-0.896) USER MOD Set 5.2: A 39 ASN : amide:sc= -0.275 K(o=-1.2,f=-5.1!) USER MOD Set 5.3: A 40 SER OG : rot 180:sc= -0.035 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 144:sc= 2.37 (180deg=0.539) USER MOD Set 6.2: A 9 GLN : amide:sc= 0.623 K(o=4,f=-7.4!) USER MOD Set 6.3: A 19 SER OG : rot 119:sc= 0.98 USER MOD Set 7.1: A 4 THR OG1 : rot -41:sc= 0.53 USER MOD Set 7.2: A 84 GLN : amide:sc= 0.307 K(o=0.84,f=-0.0069) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.0869 (180deg=-0.111) USER MOD Single : A 10 THR OG1 : rot 150:sc= -0.0229 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -110:sc= -0.0104 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0.0916 K(o=0.092,f=-0.98) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 78:sc= 0.00154 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 37 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.5!) USER MOD Single : A 45 GLN : amide:sc= 0.257 K(o=0.26,f=-5.1!) USER MOD Single : A 49 GLN : amide:sc= 0.302 K(o=0.3,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= -0.993 K(o=-0.99,f=-5!) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc=-0.00788 (180deg=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= 2.33 (180deg=2.16) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.12) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -40:sc= 1.21 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -4.4! C(o=-4.4!,f=-9.4!) USER MOD Single : A 87 CYS SG : rot 73:sc= 0.152 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.464 K(o=0.46,f=-0.085) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 192 TYR OH : rot 180:sc= 0.732 USER MOD Single : B 196 ASN : amide:sc= 1.2 K(o=1.2,f=-8!) USER MOD Single : B 199 LYS NZ :NH3+ -146:sc= 0.901 (180deg=-0.356) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 204 MET CE :methyl 158:sc=-0.00675 (180deg=-0.733) USER MOD Single : B 205 THR OG1 : rot 180:sc= 0.00604 USER MOD Single : B 208 HIS : no HD1:sc= -0.817 K(o=-0.82,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.491 -14.123 -10.185 1.00 1.79 N ATOM 2 CA MET A 1 -3.669 -12.944 -9.822 1.00 1.50 C ATOM 3 C MET A 1 -4.545 -11.715 -9.585 1.00 1.45 C ATOM 4 O MET A 1 -4.038 -10.602 -9.428 1.00 2.06 O ATOM 5 CB MET A 1 -2.639 -12.648 -10.921 1.00 1.78 C ATOM 6 CG MET A 1 -3.250 -12.247 -12.251 1.00 2.07 C ATOM 7 SD MET A 1 -2.002 -11.828 -13.483 1.00 2.89 S ATOM 8 CE MET A 1 -3.030 -11.627 -14.935 1.00 2.97 C ATOM 0 H1 MET A 1 -3.869 -14.935 -10.373 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.133 -14.353 -9.400 1.00 1.79 H new ATOM 0 H3 MET A 1 -5.048 -13.909 -11.037 1.00 1.79 H new ATOM 0 HA MET A 1 -3.144 -13.176 -8.896 1.00 1.50 H new ATOM 0 HB2 MET A 1 -1.980 -11.849 -10.581 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.019 -13.532 -11.070 1.00 1.78 H new ATOM 0 HG2 MET A 1 -3.866 -13.064 -12.626 1.00 2.07 H new ATOM 0 HG3 MET A 1 -3.910 -11.393 -12.102 1.00 2.07 H new ATOM 0 HE1 MET A 1 -2.406 -11.365 -15.789 1.00 2.97 H new ATOM 0 HE2 MET A 1 -3.554 -12.560 -15.142 1.00 2.97 H new ATOM 0 HE3 MET A 1 -3.757 -10.834 -14.759 1.00 2.97 H new ATOM 20 N ALA A 2 -5.857 -11.913 -9.560 1.00 1.41 N ATOM 21 CA ALA A 2 -6.782 -10.815 -9.340 1.00 1.47 C ATOM 22 C ALA A 2 -7.427 -10.921 -7.967 1.00 1.31 C ATOM 23 O ALA A 2 -8.179 -11.859 -7.693 1.00 1.40 O ATOM 24 CB ALA A 2 -7.845 -10.784 -10.426 1.00 1.83 C ATOM 0 H ALA A 2 -6.301 -12.822 -9.689 1.00 1.41 H new ATOM 0 HA ALA A 2 -6.219 -9.883 -9.383 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -8.528 -9.954 -10.243 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -7.369 -10.654 -11.398 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.402 -11.721 -10.417 1.00 1.83 H new ATOM 30 N LYS A 3 -7.143 -9.950 -7.113 1.00 1.21 N ATOM 31 CA LYS A 3 -7.696 -9.922 -5.764 1.00 1.10 C ATOM 32 C LYS A 3 -9.120 -9.368 -5.787 1.00 1.05 C ATOM 33 O LYS A 3 -9.481 -8.511 -4.981 1.00 1.21 O ATOM 34 CB LYS A 3 -6.816 -9.060 -4.852 1.00 1.11 C ATOM 35 CG LYS A 3 -6.092 -9.849 -3.774 1.00 1.22 C ATOM 36 CD LYS A 3 -5.727 -8.971 -2.587 1.00 1.18 C ATOM 37 CE LYS A 3 -5.181 -9.801 -1.437 1.00 1.23 C ATOM 38 NZ LYS A 3 -4.938 -8.981 -0.220 1.00 1.47 N ATOM 0 H LYS A 3 -6.529 -9.165 -7.330 1.00 1.21 H new ATOM 0 HA LYS A 3 -7.720 -10.940 -5.376 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.080 -8.536 -5.462 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.436 -8.299 -4.378 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -6.724 -10.671 -3.438 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -5.188 -10.291 -4.192 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -4.984 -8.234 -2.891 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -6.607 -8.419 -2.255 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.885 -10.599 -1.201 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -4.250 -10.277 -1.744 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -5.164 -9.541 0.627 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -3.939 -8.694 -0.189 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.541 -8.134 -0.246 1.00 1.47 H new ATOM 52 N THR A 4 -9.918 -9.868 -6.715 1.00 1.06 N ATOM 53 CA THR A 4 -11.291 -9.423 -6.870 1.00 1.06 C ATOM 54 C THR A 4 -12.285 -10.530 -6.521 1.00 1.13 C ATOM 55 O THR A 4 -13.370 -10.263 -6.006 1.00 1.27 O ATOM 56 CB THR A 4 -11.533 -8.953 -8.319 1.00 1.12 C ATOM 57 OG1 THR A 4 -10.352 -8.310 -8.815 1.00 1.22 O ATOM 58 CG2 THR A 4 -12.713 -7.991 -8.401 1.00 1.23 C ATOM 0 H THR A 4 -9.634 -10.589 -7.378 1.00 1.06 H new ATOM 0 HA THR A 4 -11.449 -8.594 -6.180 1.00 1.06 H new ATOM 0 HB THR A 4 -11.766 -9.827 -8.927 1.00 1.12 H new ATOM 0 HG1 THR A 4 -9.971 -7.740 -8.115 1.00 1.22 H new ATOM 0 HG21 THR A 4 -12.857 -7.679 -9.435 1.00 1.23 H new ATOM 0 HG22 THR A 4 -13.614 -8.489 -8.044 1.00 1.23 H new ATOM 0 HG23 THR A 4 -12.513 -7.116 -7.782 1.00 1.23 H new ATOM 66 N GLU A 5 -11.892 -11.774 -6.766 1.00 1.20 N ATOM 67 CA GLU A 5 -12.771 -12.916 -6.518 1.00 1.33 C ATOM 68 C GLU A 5 -12.517 -13.564 -5.158 1.00 1.31 C ATOM 69 O GLU A 5 -12.522 -14.790 -5.038 1.00 1.58 O ATOM 70 CB GLU A 5 -12.594 -13.959 -7.622 1.00 1.56 C ATOM 71 CG GLU A 5 -12.478 -13.367 -9.019 1.00 1.73 C ATOM 72 CD GLU A 5 -13.674 -12.520 -9.399 1.00 1.94 C ATOM 73 OE1 GLU A 5 -14.819 -13.002 -9.271 1.00 2.37 O ATOM 74 OE2 GLU A 5 -13.473 -11.372 -9.841 1.00 2.15 O ATOM 0 H GLU A 5 -10.974 -12.020 -7.135 1.00 1.20 H new ATOM 0 HA GLU A 5 -13.794 -12.539 -6.516 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -11.701 -14.547 -7.412 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -13.440 -14.645 -7.598 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -11.575 -12.759 -9.077 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -12.366 -14.174 -9.743 1.00 1.73 H new ATOM 81 N GLU A 6 -12.309 -12.757 -4.131 1.00 1.20 N ATOM 82 CA GLU A 6 -12.072 -13.295 -2.796 1.00 1.19 C ATOM 83 C GLU A 6 -13.064 -12.725 -1.790 1.00 1.14 C ATOM 84 O GLU A 6 -13.998 -13.410 -1.380 1.00 1.26 O ATOM 85 CB GLU A 6 -10.645 -13.017 -2.320 1.00 1.16 C ATOM 86 CG GLU A 6 -9.588 -13.861 -3.010 1.00 1.41 C ATOM 87 CD GLU A 6 -8.270 -13.864 -2.260 1.00 1.47 C ATOM 88 OE1 GLU A 6 -7.528 -12.863 -2.347 1.00 1.83 O ATOM 89 OE2 GLU A 6 -7.970 -14.871 -1.584 1.00 1.64 O ATOM 0 H GLU A 6 -12.299 -11.739 -4.191 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.211 -14.374 -2.862 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.417 -11.964 -2.483 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.591 -13.192 -1.246 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -9.950 -14.884 -3.106 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -9.427 -13.483 -4.020 1.00 1.41 H new ATOM 96 N MET A 7 -12.853 -11.463 -1.417 1.00 1.05 N ATOM 97 CA MET A 7 -13.690 -10.769 -0.430 1.00 1.09 C ATOM 98 C MET A 7 -13.610 -11.468 0.929 1.00 1.12 C ATOM 99 O MET A 7 -14.516 -11.361 1.753 1.00 1.32 O ATOM 100 CB MET A 7 -15.143 -10.658 -0.911 1.00 1.22 C ATOM 101 CG MET A 7 -15.311 -9.728 -2.103 1.00 1.44 C ATOM 102 SD MET A 7 -16.743 -8.639 -1.960 1.00 1.75 S ATOM 103 CE MET A 7 -16.174 -7.468 -0.735 1.00 2.16 C ATOM 0 H MET A 7 -12.096 -10.889 -1.790 1.00 1.05 H new ATOM 0 HA MET A 7 -13.306 -9.755 -0.315 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.507 -11.650 -1.178 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.764 -10.301 -0.090 1.00 1.22 H new ATOM 0 HG2 MET A 7 -14.412 -9.122 -2.212 1.00 1.44 H new ATOM 0 HG3 MET A 7 -15.406 -10.325 -3.010 1.00 1.44 H new ATOM 0 HE1 MET A 7 -16.949 -6.722 -0.557 1.00 2.16 H new ATOM 0 HE2 MET A 7 -15.955 -7.992 0.195 1.00 2.16 H new ATOM 0 HE3 MET A 7 -15.271 -6.975 -1.095 1.00 2.16 H new ATOM 113 N VAL A 8 -12.498 -12.167 1.160 1.00 1.13 N ATOM 114 CA VAL A 8 -12.284 -12.889 2.408 1.00 1.22 C ATOM 115 C VAL A 8 -10.846 -12.723 2.907 1.00 1.14 C ATOM 116 O VAL A 8 -10.099 -13.691 3.030 1.00 1.34 O ATOM 117 CB VAL A 8 -12.609 -14.396 2.269 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.109 -14.638 2.390 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.081 -14.948 0.950 1.00 1.49 C ATOM 0 H VAL A 8 -11.730 -12.247 0.493 1.00 1.13 H new ATOM 0 HA VAL A 8 -12.968 -12.454 3.137 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.110 -14.924 3.081 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.315 -15.704 2.289 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.456 -14.292 3.364 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.630 -14.092 1.604 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.322 -16.008 0.877 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.543 -14.413 0.121 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.000 -14.818 0.908 1.00 1.49 H new ATOM 129 N GLN A 9 -10.458 -11.483 3.170 1.00 0.97 N ATOM 130 CA GLN A 9 -9.120 -11.183 3.672 1.00 0.93 C ATOM 131 C GLN A 9 -9.184 -10.705 5.127 1.00 0.91 C ATOM 132 O GLN A 9 -9.896 -11.295 5.938 1.00 0.98 O ATOM 133 CB GLN A 9 -8.457 -10.141 2.774 1.00 0.89 C ATOM 134 CG GLN A 9 -8.038 -10.703 1.426 1.00 1.00 C ATOM 135 CD GLN A 9 -6.802 -11.577 1.531 1.00 1.20 C ATOM 136 OE1 GLN A 9 -5.681 -11.097 1.379 1.00 1.49 O ATOM 137 NE2 GLN A 9 -6.995 -12.860 1.781 1.00 1.43 N ATOM 0 H GLN A 9 -11.052 -10.664 3.044 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.517 -12.091 3.652 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.147 -9.312 2.618 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.581 -9.736 3.281 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -8.858 -11.285 1.006 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -7.843 -9.882 0.736 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -7.942 -13.219 1.901 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.197 -13.491 1.854 1.00 1.43 H new ATOM 146 N THR A 10 -8.449 -9.645 5.452 1.00 0.91 N ATOM 147 CA THR A 10 -8.430 -9.100 6.809 1.00 0.91 C ATOM 148 C THR A 10 -9.746 -8.390 7.140 1.00 0.88 C ATOM 149 O THR A 10 -10.182 -7.500 6.408 1.00 0.82 O ATOM 150 CB THR A 10 -7.256 -8.116 6.977 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.070 -8.677 6.394 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.008 -7.802 8.444 1.00 0.96 C ATOM 0 H THR A 10 -7.855 -9.143 4.791 1.00 0.91 H new ATOM 0 HA THR A 10 -8.304 -9.935 7.499 1.00 0.91 H new ATOM 0 HB THR A 10 -7.513 -7.186 6.469 1.00 0.89 H new ATOM 0 HG1 THR A 10 -5.492 -7.955 6.070 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.174 -7.105 8.531 1.00 0.96 H new ATOM 0 HG22 THR A 10 -7.902 -7.353 8.876 1.00 0.96 H new ATOM 0 HG23 THR A 10 -6.770 -8.722 8.978 1.00 0.96 H new ATOM 160 N GLU A 11 -10.373 -8.783 8.245 1.00 0.99 N ATOM 161 CA GLU A 11 -11.646 -8.195 8.657 1.00 1.04 C ATOM 162 C GLU A 11 -11.458 -7.136 9.745 1.00 1.02 C ATOM 163 O GLU A 11 -10.424 -7.086 10.417 1.00 1.03 O ATOM 164 CB GLU A 11 -12.595 -9.291 9.158 1.00 1.19 C ATOM 165 CG GLU A 11 -14.065 -8.955 8.956 1.00 1.29 C ATOM 166 CD GLU A 11 -14.997 -10.107 9.271 1.00 1.51 C ATOM 167 OE1 GLU A 11 -14.579 -11.281 9.153 1.00 1.58 O ATOM 168 OE2 GLU A 11 -16.163 -9.843 9.625 1.00 1.89 O ATOM 0 H GLU A 11 -10.021 -9.506 8.872 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.079 -7.705 7.785 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -12.368 -10.223 8.640 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -12.412 -9.463 10.219 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -14.325 -8.105 9.586 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.220 -8.645 7.923 1.00 1.29 H new ATOM 175 N GLU A 12 -12.472 -6.289 9.895 1.00 1.07 N ATOM 176 CA GLU A 12 -12.466 -5.229 10.894 1.00 1.10 C ATOM 177 C GLU A 12 -13.888 -5.033 11.430 1.00 1.22 C ATOM 178 O GLU A 12 -14.650 -5.996 11.513 1.00 1.54 O ATOM 179 CB GLU A 12 -11.929 -3.929 10.292 1.00 1.07 C ATOM 180 CG GLU A 12 -11.292 -3.005 11.314 1.00 1.18 C ATOM 181 CD GLU A 12 -11.791 -1.586 11.191 1.00 1.74 C ATOM 182 OE1 GLU A 12 -13.021 -1.393 11.104 1.00 2.22 O ATOM 183 OE2 GLU A 12 -10.957 -0.661 11.180 1.00 2.23 O ATOM 0 H GLU A 12 -13.319 -6.319 9.328 1.00 1.07 H new ATOM 0 HA GLU A 12 -11.810 -5.511 11.717 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.194 -4.170 9.524 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.745 -3.403 9.797 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.502 -3.376 12.317 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -10.209 -3.019 11.189 1.00 1.18 H new ATOM 190 N MET A 13 -14.253 -3.802 11.771 1.00 1.20 N ATOM 191 CA MET A 13 -15.587 -3.522 12.292 1.00 1.31 C ATOM 192 C MET A 13 -16.606 -3.546 11.162 1.00 1.28 C ATOM 193 O MET A 13 -17.561 -4.319 11.189 1.00 1.46 O ATOM 194 CB MET A 13 -15.619 -2.162 13.000 1.00 1.40 C ATOM 195 CG MET A 13 -14.704 -2.077 14.210 1.00 1.63 C ATOM 196 SD MET A 13 -14.919 -0.542 15.131 1.00 1.83 S ATOM 197 CE MET A 13 -13.671 -0.729 16.399 1.00 2.25 C ATOM 0 H MET A 13 -13.647 -2.985 11.697 1.00 1.20 H new ATOM 0 HA MET A 13 -15.841 -4.295 13.018 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.337 -1.386 12.288 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.641 -1.951 13.314 1.00 1.40 H new ATOM 0 HG2 MET A 13 -14.899 -2.923 14.869 1.00 1.63 H new ATOM 0 HG3 MET A 13 -13.667 -2.159 13.884 1.00 1.63 H new ATOM 0 HE1 MET A 13 -13.681 0.145 17.051 1.00 2.25 H new ATOM 0 HE2 MET A 13 -13.881 -1.623 16.987 1.00 2.25 H new ATOM 0 HE3 MET A 13 -12.690 -0.823 15.933 1.00 2.25 H new ATOM 207 N GLU A 14 -16.390 -2.704 10.164 1.00 1.19 N ATOM 208 CA GLU A 14 -17.287 -2.637 9.020 1.00 1.18 C ATOM 209 C GLU A 14 -16.667 -3.353 7.822 1.00 1.09 C ATOM 210 O GLU A 14 -17.372 -3.954 7.012 1.00 1.18 O ATOM 211 CB GLU A 14 -17.601 -1.181 8.665 1.00 1.19 C ATOM 212 CG GLU A 14 -18.591 -1.030 7.519 1.00 1.29 C ATOM 213 CD GLU A 14 -18.760 0.408 7.074 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.362 1.198 7.824 1.00 2.02 O ATOM 215 OE2 GLU A 14 -18.287 0.756 5.972 1.00 2.13 O ATOM 0 H GLU A 14 -15.602 -2.058 10.122 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.220 -3.135 9.283 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.000 -0.679 9.547 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.674 -0.673 8.402 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.255 -1.630 6.673 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.559 -1.426 7.826 1.00 1.29 H new ATOM 222 N THR A 15 -15.340 -3.292 7.732 1.00 0.98 N ATOM 223 CA THR A 15 -14.595 -3.925 6.649 1.00 0.90 C ATOM 224 C THR A 15 -14.886 -5.427 6.565 1.00 0.94 C ATOM 225 O THR A 15 -14.529 -6.185 7.469 1.00 0.98 O ATOM 226 CB THR A 15 -13.082 -3.714 6.850 1.00 0.84 C ATOM 227 OG1 THR A 15 -12.850 -2.421 7.416 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.338 -3.836 5.534 1.00 0.91 C ATOM 0 H THR A 15 -14.753 -2.803 8.407 1.00 0.98 H new ATOM 0 HA THR A 15 -14.916 -3.459 5.717 1.00 0.90 H new ATOM 0 HB THR A 15 -12.712 -4.485 7.526 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.426 -1.843 6.748 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.272 -3.683 5.703 1.00 0.91 H new ATOM 0 HG22 THR A 15 -12.500 -4.829 5.115 1.00 0.91 H new ATOM 0 HG23 THR A 15 -12.706 -3.084 4.837 1.00 0.91 H new ATOM 236 N PRO A 16 -15.529 -5.872 5.471 1.00 0.97 N ATOM 237 CA PRO A 16 -15.880 -7.277 5.271 1.00 1.04 C ATOM 238 C PRO A 16 -14.723 -8.100 4.704 1.00 0.96 C ATOM 239 O PRO A 16 -14.830 -8.665 3.615 1.00 0.96 O ATOM 240 CB PRO A 16 -17.028 -7.194 4.271 1.00 1.12 C ATOM 241 CG PRO A 16 -16.718 -5.994 3.443 1.00 1.07 C ATOM 242 CD PRO A 16 -15.968 -5.036 4.336 1.00 0.98 C ATOM 0 HA PRO A 16 -16.136 -7.778 6.205 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.087 -8.094 3.659 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -17.988 -7.090 4.777 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.117 -6.267 2.576 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -17.633 -5.537 3.066 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.119 -4.589 3.818 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -16.606 -4.217 4.667 1.00 0.98 H new ATOM 250 N ARG A 17 -13.623 -8.152 5.454 1.00 0.95 N ATOM 251 CA ARG A 17 -12.434 -8.906 5.057 1.00 0.92 C ATOM 252 C ARG A 17 -11.805 -8.324 3.785 1.00 0.82 C ATOM 253 O ARG A 17 -11.739 -8.985 2.748 1.00 0.83 O ATOM 254 CB ARG A 17 -12.785 -10.385 4.865 1.00 1.01 C ATOM 255 CG ARG A 17 -13.238 -11.070 6.143 1.00 1.13 C ATOM 256 CD ARG A 17 -13.665 -12.506 5.899 1.00 1.19 C ATOM 257 NE ARG A 17 -14.238 -13.103 7.105 1.00 1.38 N ATOM 258 CZ ARG A 17 -14.611 -14.379 7.202 1.00 1.67 C ATOM 259 NH1 ARG A 17 -14.457 -15.197 6.168 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.145 -14.830 8.330 1.00 1.94 N ATOM 0 H ARG A 17 -13.531 -7.675 6.351 1.00 0.95 H new ATOM 0 HA ARG A 17 -11.696 -8.824 5.855 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -13.574 -10.469 4.118 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -11.914 -10.909 4.470 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.427 -11.052 6.871 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -14.069 -10.514 6.577 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -14.397 -12.538 5.092 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -12.806 -13.093 5.573 1.00 1.19 H new ATOM 0 HE ARG A 17 -14.360 -12.506 7.923 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.053 -14.849 5.298 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.743 -16.173 6.243 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.270 -14.200 9.123 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.431 -15.806 8.404 1.00 1.94 H new ATOM 274 N LEU A 18 -11.325 -7.089 3.885 1.00 0.75 N ATOM 275 CA LEU A 18 -10.713 -6.395 2.756 1.00 0.67 C ATOM 276 C LEU A 18 -9.285 -5.950 3.087 1.00 0.63 C ATOM 277 O LEU A 18 -9.083 -5.072 3.927 1.00 0.66 O ATOM 278 CB LEU A 18 -11.545 -5.159 2.390 1.00 0.65 C ATOM 279 CG LEU A 18 -12.574 -5.320 1.265 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.504 -6.492 1.528 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.379 -4.039 1.103 1.00 0.66 C ATOM 0 H LEU A 18 -11.349 -6.543 4.746 1.00 0.75 H new ATOM 0 HA LEU A 18 -10.680 -7.089 1.916 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -12.071 -4.828 3.285 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -10.859 -4.360 2.110 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.032 -5.522 0.341 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.221 -6.578 0.711 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -12.921 -7.410 1.597 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.038 -6.330 2.464 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.106 -4.165 0.301 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -13.900 -3.817 2.034 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.708 -3.216 0.857 1.00 0.66 H new ATOM 293 N SER A 19 -8.298 -6.558 2.440 1.00 0.63 N ATOM 294 CA SER A 19 -6.908 -6.179 2.659 1.00 0.64 C ATOM 295 C SER A 19 -6.237 -5.892 1.316 1.00 0.61 C ATOM 296 O SER A 19 -6.306 -6.696 0.382 1.00 0.70 O ATOM 297 CB SER A 19 -6.156 -7.260 3.443 1.00 0.77 C ATOM 298 OG SER A 19 -5.708 -8.313 2.608 1.00 1.44 O ATOM 0 H SER A 19 -8.433 -7.310 1.764 1.00 0.63 H new ATOM 0 HA SER A 19 -6.880 -5.272 3.263 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.301 -6.811 3.949 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.808 -7.665 4.217 1.00 0.77 H new ATOM 0 HG SER A 19 -4.731 -8.370 2.649 1.00 1.44 H new ATOM 304 N VAL A 20 -5.602 -4.737 1.222 1.00 0.55 N ATOM 305 CA VAL A 20 -4.952 -4.309 -0.006 1.00 0.56 C ATOM 306 C VAL A 20 -3.481 -4.725 -0.060 1.00 0.67 C ATOM 307 O VAL A 20 -2.827 -4.907 0.972 1.00 0.73 O ATOM 308 CB VAL A 20 -5.059 -2.777 -0.161 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.101 -2.071 0.781 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.814 -2.358 -1.598 1.00 0.53 C ATOM 0 H VAL A 20 -5.522 -4.071 1.991 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.469 -4.804 -0.829 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.074 -2.481 0.105 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.194 -0.992 0.654 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.341 -2.337 1.810 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.079 -2.376 0.556 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -4.895 -1.274 -1.680 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.816 -2.671 -1.903 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.555 -2.827 -2.245 1.00 0.53 H new ATOM 320 N ILE A 21 -2.981 -4.885 -1.275 1.00 0.73 N ATOM 321 CA ILE A 21 -1.592 -5.244 -1.498 1.00 0.86 C ATOM 322 C ILE A 21 -0.772 -3.987 -1.766 1.00 0.87 C ATOM 323 O ILE A 21 -0.758 -3.474 -2.887 1.00 0.88 O ATOM 324 CB ILE A 21 -1.442 -6.209 -2.695 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.228 -7.494 -2.441 1.00 0.98 C ATOM 326 CG2 ILE A 21 0.026 -6.525 -2.952 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.276 -8.419 -3.640 1.00 1.10 C ATOM 0 H ILE A 21 -3.525 -4.770 -2.130 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.230 -5.747 -0.601 1.00 0.86 H new ATOM 0 HB ILE A 21 -1.846 -5.722 -3.582 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.780 -8.024 -1.600 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.246 -7.236 -2.150 1.00 0.98 H new ATOM 0 HG21 ILE A 21 0.109 -7.206 -3.799 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.563 -5.603 -3.174 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.458 -6.992 -2.067 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.850 -9.311 -3.389 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.751 -7.906 -4.476 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.262 -8.706 -3.919 1.00 1.10 H new ATOM 339 N VAL A 22 -0.123 -3.474 -0.730 1.00 0.89 N ATOM 340 CA VAL A 22 0.698 -2.279 -0.861 1.00 0.93 C ATOM 341 C VAL A 22 2.060 -2.658 -1.424 1.00 1.07 C ATOM 342 O VAL A 22 2.793 -3.430 -0.810 1.00 1.15 O ATOM 343 CB VAL A 22 0.888 -1.556 0.490 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.447 -0.158 0.280 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.422 -1.497 1.261 1.00 0.80 C ATOM 0 H VAL A 22 -0.149 -3.867 0.211 1.00 0.89 H new ATOM 0 HA VAL A 22 0.183 -1.596 -1.536 1.00 0.93 H new ATOM 0 HB VAL A 22 1.606 -2.127 1.079 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.573 0.332 1.245 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.412 -0.224 -0.222 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.757 0.421 -0.334 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.263 -0.983 2.209 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.165 -0.956 0.675 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -0.778 -2.509 1.452 1.00 0.80 H new ATOM 355 N THR A 23 2.389 -2.123 -2.587 1.00 1.12 N ATOM 356 CA THR A 23 3.657 -2.433 -3.232 1.00 1.26 C ATOM 357 C THR A 23 4.559 -1.203 -3.360 1.00 1.32 C ATOM 358 O THR A 23 4.161 -0.170 -3.899 1.00 1.28 O ATOM 359 CB THR A 23 3.425 -3.043 -4.628 1.00 1.33 C ATOM 360 OG1 THR A 23 2.205 -3.799 -4.632 1.00 1.89 O ATOM 361 CG2 THR A 23 4.584 -3.949 -5.025 1.00 1.63 C ATOM 0 H THR A 23 1.798 -1.473 -3.105 1.00 1.12 H new ATOM 0 HA THR A 23 4.162 -3.158 -2.594 1.00 1.26 H new ATOM 0 HB THR A 23 3.356 -2.229 -5.349 1.00 1.33 H new ATOM 0 HG1 THR A 23 2.061 -4.183 -5.522 1.00 1.89 H new ATOM 0 HG21 THR A 23 4.397 -4.367 -6.014 1.00 1.63 H new ATOM 0 HG22 THR A 23 5.508 -3.371 -5.045 1.00 1.63 H new ATOM 0 HG23 THR A 23 4.678 -4.758 -4.301 1.00 1.63 H new ATOM 369 N HIS A 24 5.772 -1.330 -2.846 1.00 1.45 N ATOM 370 CA HIS A 24 6.768 -0.270 -2.910 1.00 1.54 C ATOM 371 C HIS A 24 7.975 -0.789 -3.676 1.00 1.61 C ATOM 372 O HIS A 24 8.917 -1.309 -3.076 1.00 1.63 O ATOM 373 CB HIS A 24 7.169 0.174 -1.494 1.00 1.58 C ATOM 374 CG HIS A 24 8.309 1.158 -1.434 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.341 1.053 -0.524 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.564 2.276 -2.159 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.181 2.061 -0.690 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.732 2.815 -1.676 1.00 1.86 N ATOM 0 H HIS A 24 6.095 -2.173 -2.371 1.00 1.45 H new ATOM 0 HA HIS A 24 6.356 0.599 -3.424 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.300 0.618 -1.009 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.440 -0.709 -0.916 1.00 1.58 H new ATOM 0 HD2 HIS A 24 7.962 2.669 -2.965 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.080 2.237 -0.117 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.180 3.662 -2.024 1.00 1.86 H new ATOM 387 N SER A 25 7.909 -0.679 -5.004 1.00 1.68 N ATOM 388 CA SER A 25 8.969 -1.152 -5.900 1.00 1.77 C ATOM 389 C SER A 25 8.982 -2.685 -5.940 1.00 1.80 C ATOM 390 O SER A 25 8.786 -3.295 -6.990 1.00 1.90 O ATOM 391 CB SER A 25 10.335 -0.594 -5.476 1.00 1.78 C ATOM 392 OG SER A 25 10.277 0.814 -5.301 1.00 1.90 O ATOM 0 H SER A 25 7.117 -0.259 -5.491 1.00 1.68 H new ATOM 0 HA SER A 25 8.764 -0.786 -6.906 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.652 -1.067 -4.547 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.082 -0.840 -6.230 1.00 1.78 H new ATOM 0 HG SER A 25 11.158 1.146 -5.029 1.00 1.90 H new ATOM 398 N ASN A 26 9.207 -3.291 -4.787 1.00 1.77 N ATOM 399 CA ASN A 26 9.221 -4.738 -4.658 1.00 1.82 C ATOM 400 C ASN A 26 8.807 -5.136 -3.241 1.00 1.75 C ATOM 401 O ASN A 26 8.689 -6.317 -2.917 1.00 1.87 O ATOM 402 CB ASN A 26 10.603 -5.294 -4.990 1.00 1.95 C ATOM 403 CG ASN A 26 10.540 -6.730 -5.462 1.00 2.06 C ATOM 404 OD1 ASN A 26 9.503 -7.191 -5.937 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.651 -7.437 -5.357 1.00 2.32 N ATOM 0 H ASN A 26 9.385 -2.794 -3.914 1.00 1.77 H new ATOM 0 HA ASN A 26 8.508 -5.162 -5.366 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.065 -4.679 -5.762 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.240 -5.230 -4.108 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.671 -8.405 -5.676 1.00 2.32 H new ATOM 0 HD22 ASN A 26 12.488 -7.014 -4.956 1.00 2.32 H new ATOM 412 N GLU A 27 8.589 -4.128 -2.400 1.00 1.66 N ATOM 413 CA GLU A 27 8.180 -4.341 -1.020 1.00 1.60 C ATOM 414 C GLU A 27 6.667 -4.504 -0.962 1.00 1.47 C ATOM 415 O GLU A 27 5.933 -3.702 -1.534 1.00 1.48 O ATOM 416 CB GLU A 27 8.643 -3.159 -0.160 1.00 1.63 C ATOM 417 CG GLU A 27 7.966 -3.056 1.194 1.00 1.89 C ATOM 418 CD GLU A 27 8.541 -1.940 2.040 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.042 -0.794 1.947 1.00 2.14 O ATOM 420 OE2 GLU A 27 9.494 -2.198 2.803 1.00 2.24 O ATOM 0 H GLU A 27 8.691 -3.146 -2.657 1.00 1.66 H new ATOM 0 HA GLU A 27 8.640 -5.248 -0.629 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.719 -3.238 -0.008 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.466 -2.235 -0.711 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.898 -2.888 1.052 1.00 1.89 H new ATOM 0 HG3 GLU A 27 8.072 -4.003 1.724 1.00 1.89 H new ATOM 427 N ARG A 28 6.202 -5.540 -0.282 1.00 1.44 N ATOM 428 CA ARG A 28 4.778 -5.799 -0.197 1.00 1.33 C ATOM 429 C ARG A 28 4.284 -5.715 1.241 1.00 1.28 C ATOM 430 O ARG A 28 4.888 -6.278 2.154 1.00 1.36 O ATOM 431 CB ARG A 28 4.466 -7.183 -0.778 1.00 1.41 C ATOM 432 CG ARG A 28 3.026 -7.355 -1.244 1.00 1.45 C ATOM 433 CD ARG A 28 2.090 -7.678 -0.086 1.00 1.48 C ATOM 434 NE ARG A 28 1.263 -8.849 -0.361 1.00 1.48 N ATOM 435 CZ ARG A 28 0.119 -9.129 0.268 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.369 -8.293 1.179 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.544 -10.237 -0.028 1.00 1.92 N ATOM 0 H ARG A 28 6.788 -6.210 0.216 1.00 1.44 H new ATOM 0 HA ARG A 28 4.259 -5.035 -0.776 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.133 -7.370 -1.620 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.685 -7.939 -0.024 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.692 -6.442 -1.737 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.977 -8.153 -1.984 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.676 -7.852 0.816 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.448 -6.819 0.112 1.00 1.48 H new ATOM 0 HE ARG A 28 1.580 -9.497 -1.082 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.131 -7.432 1.401 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.243 -8.512 1.656 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -0.180 -10.875 -0.736 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.418 -10.452 0.452 1.00 1.92 H new ATOM 451 N TYR A 29 3.185 -5.005 1.426 1.00 1.17 N ATOM 452 CA TYR A 29 2.573 -4.857 2.730 1.00 1.13 C ATOM 453 C TYR A 29 1.078 -5.131 2.632 1.00 1.01 C ATOM 454 O TYR A 29 0.478 -4.956 1.571 1.00 1.00 O ATOM 455 CB TYR A 29 2.821 -3.455 3.284 1.00 1.13 C ATOM 456 CG TYR A 29 3.744 -3.443 4.482 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.245 -3.643 5.763 1.00 1.52 C ATOM 458 CD2 TYR A 29 5.109 -3.244 4.329 1.00 1.60 C ATOM 459 CE1 TYR A 29 4.084 -3.644 6.861 1.00 1.82 C ATOM 460 CE2 TYR A 29 5.954 -3.240 5.423 1.00 1.88 C ATOM 461 CZ TYR A 29 5.434 -3.443 6.685 1.00 1.91 C ATOM 462 OH TYR A 29 6.270 -3.450 7.776 1.00 2.29 O ATOM 0 H TYR A 29 2.694 -4.517 0.677 1.00 1.17 H new ATOM 0 HA TYR A 29 3.023 -5.578 3.413 1.00 1.13 H new ATOM 0 HB2 TYR A 29 3.247 -2.831 2.499 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.867 -3.008 3.564 1.00 1.13 H new ATOM 0 HD1 TYR A 29 2.186 -3.800 5.903 1.00 1.52 H new ATOM 0 HD2 TYR A 29 5.517 -3.090 3.341 1.00 1.60 H new ATOM 0 HE1 TYR A 29 3.683 -3.802 7.851 1.00 1.82 H new ATOM 0 HE2 TYR A 29 7.014 -3.079 5.291 1.00 1.88 H new ATOM 0 HH TYR A 29 7.192 -3.295 7.483 1.00 2.29 H new ATOM 472 N ASP A 30 0.489 -5.584 3.726 1.00 0.98 N ATOM 473 CA ASP A 30 -0.941 -5.878 3.765 1.00 0.90 C ATOM 474 C ASP A 30 -1.651 -4.868 4.652 1.00 0.84 C ATOM 475 O ASP A 30 -1.450 -4.850 5.865 1.00 0.96 O ATOM 476 CB ASP A 30 -1.184 -7.301 4.282 1.00 0.97 C ATOM 477 CG ASP A 30 -2.613 -7.770 4.067 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.949 -8.165 2.925 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.400 -7.766 5.037 1.00 1.34 O ATOM 0 H ASP A 30 0.978 -5.758 4.604 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.341 -5.807 2.754 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.502 -7.987 3.779 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -0.950 -7.341 5.346 1.00 0.97 H new ATOM 484 N LEU A 31 -2.464 -4.018 4.049 1.00 0.71 N ATOM 485 CA LEU A 31 -3.183 -3.001 4.802 1.00 0.66 C ATOM 486 C LEU A 31 -4.686 -3.208 4.678 1.00 0.58 C ATOM 487 O LEU A 31 -5.175 -3.667 3.644 1.00 0.59 O ATOM 488 CB LEU A 31 -2.792 -1.602 4.312 1.00 0.66 C ATOM 489 CG LEU A 31 -2.544 -0.552 5.409 1.00 0.77 C ATOM 490 CD1 LEU A 31 -3.856 0.049 5.890 1.00 0.95 C ATOM 491 CD2 LEU A 31 -1.781 -1.157 6.578 1.00 0.98 C ATOM 0 H LEU A 31 -2.643 -4.010 3.045 1.00 0.71 H new ATOM 0 HA LEU A 31 -2.910 -3.090 5.854 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -1.889 -1.689 3.708 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.581 -1.234 3.655 1.00 0.66 H new ATOM 0 HG LEU A 31 -1.937 0.244 4.977 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.655 0.788 6.665 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.365 0.529 5.054 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.490 -0.739 6.296 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.618 -0.395 7.340 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.358 -1.978 7.003 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.819 -1.533 6.229 1.00 0.98 H new ATOM 503 N LEU A 32 -5.408 -2.883 5.737 1.00 0.55 N ATOM 504 CA LEU A 32 -6.854 -3.036 5.752 1.00 0.52 C ATOM 505 C LEU A 32 -7.532 -1.855 5.069 1.00 0.43 C ATOM 506 O LEU A 32 -7.101 -0.714 5.217 1.00 0.43 O ATOM 507 CB LEU A 32 -7.358 -3.164 7.189 1.00 0.60 C ATOM 508 CG LEU A 32 -8.876 -3.261 7.333 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.279 -4.648 7.809 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.387 -2.188 8.285 1.00 0.85 C ATOM 0 H LEU A 32 -5.015 -2.510 6.601 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.104 -3.944 5.203 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -6.908 -4.049 7.639 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.008 -2.304 7.759 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.331 -3.094 6.356 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.364 -4.699 7.906 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -8.944 -5.392 7.086 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -8.819 -4.849 8.776 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.470 -2.270 8.378 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -8.928 -2.322 9.264 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.129 -1.203 7.895 1.00 0.85 H new ATOM 522 N VAL A 33 -8.591 -2.144 4.322 1.00 0.41 N ATOM 523 CA VAL A 33 -9.344 -1.115 3.614 1.00 0.36 C ATOM 524 C VAL A 33 -10.058 -0.186 4.591 1.00 0.41 C ATOM 525 O VAL A 33 -10.625 -0.636 5.591 1.00 0.51 O ATOM 526 CB VAL A 33 -10.362 -1.754 2.640 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.552 -0.840 2.378 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.673 -2.110 1.332 1.00 0.56 C ATOM 0 H VAL A 33 -8.950 -3.090 4.190 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.635 -0.522 3.037 1.00 0.36 H new ATOM 0 HB VAL A 33 -10.746 -2.660 3.108 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.241 -1.328 1.689 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.064 -0.632 3.317 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.203 0.095 1.940 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.395 -2.560 0.651 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.261 -1.208 0.880 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -8.868 -2.819 1.526 1.00 0.56 H new ATOM 538 N THR A 34 -10.021 1.104 4.286 1.00 0.39 N ATOM 539 CA THR A 34 -10.650 2.120 5.115 1.00 0.48 C ATOM 540 C THR A 34 -12.174 2.046 4.997 1.00 0.59 C ATOM 541 O THR A 34 -12.739 2.344 3.942 1.00 0.65 O ATOM 542 CB THR A 34 -10.175 3.526 4.708 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.818 3.467 4.244 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.274 4.499 5.875 1.00 0.64 C ATOM 0 H THR A 34 -9.554 1.474 3.458 1.00 0.39 H new ATOM 0 HA THR A 34 -10.361 1.931 6.149 1.00 0.48 H new ATOM 0 HB THR A 34 -10.822 3.883 3.907 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.800 3.114 3.330 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.932 5.484 5.558 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.310 4.565 6.207 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.651 4.146 6.697 1.00 0.64 H new ATOM 552 N PRO A 35 -12.854 1.643 6.082 1.00 0.73 N ATOM 553 CA PRO A 35 -14.305 1.500 6.106 1.00 0.89 C ATOM 554 C PRO A 35 -15.033 2.781 6.523 1.00 0.93 C ATOM 555 O PRO A 35 -14.569 3.888 6.243 1.00 0.93 O ATOM 556 CB PRO A 35 -14.481 0.416 7.161 1.00 1.07 C ATOM 557 CG PRO A 35 -13.409 0.698 8.160 1.00 1.07 C ATOM 558 CD PRO A 35 -12.256 1.294 7.389 1.00 0.82 C ATOM 0 HA PRO A 35 -14.722 1.270 5.126 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.471 0.460 7.616 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.372 -0.580 6.731 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.763 1.389 8.925 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.104 -0.215 8.671 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.849 2.172 7.891 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.438 0.583 7.278 1.00 0.82 H new ATOM 566 N GLN A 36 -16.185 2.606 7.181 1.00 1.02 N ATOM 567 CA GLN A 36 -17.010 3.712 7.666 1.00 1.13 C ATOM 568 C GLN A 36 -17.710 4.412 6.509 1.00 1.16 C ATOM 569 O GLN A 36 -17.771 5.644 6.447 1.00 1.24 O ATOM 570 CB GLN A 36 -16.188 4.709 8.489 1.00 1.16 C ATOM 571 CG GLN A 36 -15.747 4.161 9.836 1.00 1.38 C ATOM 572 CD GLN A 36 -14.844 5.115 10.589 1.00 1.95 C ATOM 573 OE1 GLN A 36 -14.933 6.336 10.429 1.00 2.47 O ATOM 574 NE2 GLN A 36 -13.968 4.568 11.413 1.00 2.33 N ATOM 0 H GLN A 36 -16.571 1.686 7.392 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.771 3.292 8.324 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.307 5.001 7.918 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.778 5.611 8.648 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.627 3.946 10.442 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.225 3.216 9.686 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.928 3.554 11.515 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -13.332 5.160 11.947 1.00 2.33 H new ATOM 583 N GLN A 37 -18.245 3.608 5.601 1.00 1.15 N ATOM 584 CA GLN A 37 -18.953 4.121 4.441 1.00 1.23 C ATOM 585 C GLN A 37 -19.940 3.086 3.924 1.00 1.30 C ATOM 586 O GLN A 37 -21.124 3.128 4.261 1.00 1.64 O ATOM 587 CB GLN A 37 -17.978 4.521 3.331 1.00 1.16 C ATOM 588 CG GLN A 37 -17.890 6.022 3.118 1.00 1.33 C ATOM 589 CD GLN A 37 -19.246 6.656 2.879 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.728 6.720 1.746 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.867 7.145 3.941 1.00 1.82 N ATOM 0 H GLN A 37 -18.200 2.590 5.648 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.501 5.012 4.748 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.987 4.137 3.572 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.285 4.047 2.399 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.426 6.483 3.990 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -17.242 6.227 2.266 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.435 7.073 4.862 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.777 7.594 3.838 1.00 1.82 H new ATOM 600 N GLY A 38 -19.450 2.148 3.129 1.00 1.14 N ATOM 601 CA GLY A 38 -20.310 1.122 2.590 1.00 1.21 C ATOM 602 C GLY A 38 -19.614 -0.216 2.496 1.00 1.14 C ATOM 603 O GLY A 38 -19.731 -0.892 1.479 1.00 1.17 O ATOM 0 H GLY A 38 -18.472 2.081 2.849 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.195 1.026 3.218 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.653 1.421 1.600 1.00 1.21 H new ATOM 607 N ASN A 39 -18.891 -0.580 3.568 1.00 1.13 N ATOM 608 CA ASN A 39 -18.141 -1.849 3.673 1.00 1.11 C ATOM 609 C ASN A 39 -17.328 -2.172 2.413 1.00 0.97 C ATOM 610 O ASN A 39 -16.138 -1.868 2.354 1.00 0.89 O ATOM 611 CB ASN A 39 -19.044 -3.037 4.081 1.00 1.30 C ATOM 612 CG ASN A 39 -20.416 -3.051 3.427 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.583 -3.558 2.314 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.409 -2.512 4.118 1.00 1.70 N ATOM 0 H ASN A 39 -18.808 0.005 4.399 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.422 -1.696 4.478 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.530 -3.966 3.835 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.173 -3.021 5.163 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.354 -2.506 3.733 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.229 -2.103 5.035 1.00 1.70 H new ATOM 621 N SER A 40 -17.957 -2.798 1.421 1.00 1.02 N ATOM 622 CA SER A 40 -17.283 -3.142 0.171 1.00 0.95 C ATOM 623 C SER A 40 -16.883 -1.882 -0.601 1.00 0.87 C ATOM 624 O SER A 40 -16.027 -1.929 -1.485 1.00 0.82 O ATOM 625 CB SER A 40 -18.194 -4.021 -0.685 1.00 1.07 C ATOM 626 OG SER A 40 -18.734 -5.085 0.084 1.00 1.30 O ATOM 0 H SER A 40 -18.937 -3.079 1.459 1.00 1.02 H new ATOM 0 HA SER A 40 -16.374 -3.694 0.410 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.003 -3.419 -1.100 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.632 -4.424 -1.527 1.00 1.07 H new ATOM 0 HG SER A 40 -19.316 -5.635 -0.481 1.00 1.30 H new ATOM 632 N GLU A 41 -17.518 -0.765 -0.269 1.00 0.92 N ATOM 633 CA GLU A 41 -17.221 0.508 -0.905 1.00 0.88 C ATOM 634 C GLU A 41 -16.420 1.383 0.062 1.00 0.81 C ATOM 635 O GLU A 41 -16.972 1.921 1.026 1.00 0.90 O ATOM 636 CB GLU A 41 -18.512 1.219 -1.320 1.00 1.02 C ATOM 637 CG GLU A 41 -18.269 2.486 -2.127 1.00 1.34 C ATOM 638 CD GLU A 41 -19.550 3.205 -2.497 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.366 3.489 -1.595 1.00 1.83 O ATOM 640 OE2 GLU A 41 -19.746 3.509 -3.695 1.00 1.73 O ATOM 0 H GLU A 41 -18.247 -0.718 0.443 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.631 0.327 -1.804 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.123 0.534 -1.908 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -19.084 1.470 -0.427 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.633 3.160 -1.553 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -17.725 2.232 -3.037 1.00 1.34 H new ATOM 647 N PRO A 42 -15.100 1.499 -0.164 1.00 0.69 N ATOM 648 CA PRO A 42 -14.206 2.298 0.686 1.00 0.67 C ATOM 649 C PRO A 42 -14.376 3.805 0.489 1.00 0.69 C ATOM 650 O PRO A 42 -15.062 4.252 -0.431 1.00 0.77 O ATOM 651 CB PRO A 42 -12.799 1.872 0.237 1.00 0.60 C ATOM 652 CG PRO A 42 -12.994 0.695 -0.662 1.00 0.62 C ATOM 653 CD PRO A 42 -14.363 0.848 -1.250 1.00 0.64 C ATOM 0 HA PRO A 42 -14.413 2.124 1.742 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.294 2.684 -0.287 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.178 1.610 1.094 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.234 0.670 -1.443 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.910 -0.239 -0.106 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.351 1.456 -2.155 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.800 -0.114 -1.518 1.00 0.64 H new ATOM 661 N VAL A 43 -13.734 4.582 1.357 1.00 0.67 N ATOM 662 CA VAL A 43 -13.802 6.041 1.282 1.00 0.72 C ATOM 663 C VAL A 43 -12.849 6.565 0.212 1.00 0.65 C ATOM 664 O VAL A 43 -11.990 5.832 -0.270 1.00 0.58 O ATOM 665 CB VAL A 43 -13.454 6.700 2.635 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.454 6.294 3.703 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.045 6.336 3.066 1.00 0.67 C ATOM 0 H VAL A 43 -13.160 4.227 2.122 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.828 6.301 1.023 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.505 7.781 2.506 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.190 6.769 4.648 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.454 6.610 3.404 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.437 5.211 3.824 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.822 6.812 4.021 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.965 5.254 3.172 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.334 6.681 2.315 1.00 0.67 H new ATOM 677 N VAL A 44 -12.989 7.834 -0.147 1.00 0.72 N ATOM 678 CA VAL A 44 -12.128 8.426 -1.167 1.00 0.71 C ATOM 679 C VAL A 44 -10.687 8.562 -0.675 1.00 0.66 C ATOM 680 O VAL A 44 -9.748 8.552 -1.470 1.00 0.68 O ATOM 681 CB VAL A 44 -12.643 9.805 -1.641 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.810 9.637 -2.599 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.043 10.681 -0.461 1.00 0.98 C ATOM 0 H VAL A 44 -13.683 8.470 0.247 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.152 7.742 -2.016 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.829 10.303 -2.167 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -14.159 10.618 -2.922 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.488 9.062 -3.467 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.621 9.111 -2.096 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.401 11.643 -0.827 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.836 10.190 0.104 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.179 10.837 0.186 1.00 0.98 H new ATOM 693 N GLN A 45 -10.519 8.667 0.638 1.00 0.66 N ATOM 694 CA GLN A 45 -9.193 8.804 1.238 1.00 0.65 C ATOM 695 C GLN A 45 -8.557 7.439 1.491 1.00 0.57 C ATOM 696 O GLN A 45 -7.435 7.351 1.993 1.00 0.62 O ATOM 697 CB GLN A 45 -9.279 9.569 2.565 1.00 0.74 C ATOM 698 CG GLN A 45 -9.908 10.949 2.450 1.00 1.07 C ATOM 699 CD GLN A 45 -11.382 10.958 2.813 1.00 1.44 C ATOM 700 OE1 GLN A 45 -12.087 9.958 2.651 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.859 12.087 3.309 1.00 1.94 N ATOM 0 H GLN A 45 -11.286 8.660 1.311 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.573 9.359 0.534 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.856 8.977 3.276 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.275 9.673 2.977 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.374 11.641 3.101 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -9.788 11.314 1.430 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -11.244 12.892 3.428 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.842 12.153 3.573 1.00 1.94 H new ATOM 710 N ASP A 46 -9.275 6.386 1.130 1.00 0.49 N ATOM 711 CA ASP A 46 -8.807 5.018 1.342 1.00 0.42 C ATOM 712 C ASP A 46 -7.451 4.762 0.695 1.00 0.41 C ATOM 713 O ASP A 46 -6.494 4.409 1.376 1.00 0.46 O ATOM 714 CB ASP A 46 -9.830 4.016 0.807 1.00 0.38 C ATOM 715 CG ASP A 46 -9.290 2.600 0.772 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.125 2.000 1.855 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.023 2.092 -0.342 1.00 0.31 O ATOM 0 H ASP A 46 -10.191 6.450 0.686 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.690 4.886 2.418 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.724 4.046 1.430 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.132 4.311 -0.198 1.00 0.38 H new ATOM 722 N LEU A 47 -7.364 4.974 -0.614 1.00 0.46 N ATOM 723 CA LEU A 47 -6.122 4.731 -1.352 1.00 0.54 C ATOM 724 C LEU A 47 -4.964 5.573 -0.813 1.00 0.56 C ATOM 725 O LEU A 47 -3.800 5.185 -0.923 1.00 0.65 O ATOM 726 CB LEU A 47 -6.320 4.991 -2.852 1.00 0.66 C ATOM 727 CG LEU A 47 -6.071 6.426 -3.316 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.594 6.436 -4.758 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.328 7.270 -3.167 1.00 1.00 C ATOM 0 H LEU A 47 -8.136 5.313 -1.188 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.862 3.682 -1.209 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.656 4.329 -3.407 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.340 4.715 -3.118 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.295 6.860 -2.686 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.420 7.464 -5.077 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.666 5.869 -4.838 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.353 5.982 -5.395 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.126 8.287 -3.504 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.128 6.841 -3.770 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.632 7.288 -2.120 1.00 1.00 H new ATOM 741 N ALA A 48 -5.286 6.714 -0.219 1.00 0.58 N ATOM 742 CA ALA A 48 -4.272 7.597 0.331 1.00 0.69 C ATOM 743 C ALA A 48 -3.792 7.084 1.683 1.00 0.67 C ATOM 744 O ALA A 48 -2.602 7.142 1.994 1.00 0.76 O ATOM 745 CB ALA A 48 -4.819 9.011 0.461 1.00 0.83 C ATOM 0 H ALA A 48 -6.243 7.048 -0.107 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.421 7.615 -0.350 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -4.049 9.662 0.874 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -5.116 9.378 -0.521 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.685 9.007 1.123 1.00 0.83 H new ATOM 751 N GLN A 49 -4.723 6.564 2.472 1.00 0.60 N ATOM 752 CA GLN A 49 -4.405 6.048 3.796 1.00 0.62 C ATOM 753 C GLN A 49 -3.767 4.664 3.723 1.00 0.59 C ATOM 754 O GLN A 49 -2.918 4.332 4.545 1.00 0.66 O ATOM 755 CB GLN A 49 -5.659 6.000 4.668 1.00 0.62 C ATOM 756 CG GLN A 49 -5.727 7.113 5.703 1.00 0.95 C ATOM 757 CD GLN A 49 -5.805 8.496 5.080 1.00 1.27 C ATOM 758 OE1 GLN A 49 -6.887 8.973 4.743 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.669 9.164 4.948 1.00 1.43 N ATOM 0 H GLN A 49 -5.708 6.488 2.217 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.682 6.728 4.246 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.539 6.058 4.027 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -5.699 5.038 5.179 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.598 6.957 6.340 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -4.848 7.059 6.346 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -3.789 8.737 5.238 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -4.674 10.106 4.556 1.00 1.43 H new ATOM 768 N LEU A 50 -4.176 3.867 2.740 1.00 0.52 N ATOM 769 CA LEU A 50 -3.649 2.511 2.567 1.00 0.53 C ATOM 770 C LEU A 50 -2.128 2.501 2.527 1.00 0.65 C ATOM 771 O LEU A 50 -1.482 1.733 3.237 1.00 0.72 O ATOM 772 CB LEU A 50 -4.189 1.885 1.279 1.00 0.46 C ATOM 773 CG LEU A 50 -5.682 1.546 1.288 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.098 0.948 -0.043 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.014 0.596 2.427 1.00 0.40 C ATOM 0 H LEU A 50 -4.874 4.136 2.047 1.00 0.52 H new ATOM 0 HA LEU A 50 -3.978 1.927 3.426 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -3.994 2.569 0.453 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.628 0.973 1.076 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.240 2.469 1.443 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.162 0.713 -0.020 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.902 1.664 -0.841 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.529 0.037 -0.226 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.080 0.370 2.413 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.446 -0.327 2.309 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -5.755 1.063 3.377 1.00 0.40 H new ATOM 787 N VAL A 51 -1.559 3.357 1.695 1.00 0.70 N ATOM 788 CA VAL A 51 -0.113 3.432 1.565 1.00 0.84 C ATOM 789 C VAL A 51 0.506 4.145 2.769 1.00 0.90 C ATOM 790 O VAL A 51 1.600 3.792 3.216 1.00 1.01 O ATOM 791 CB VAL A 51 0.293 4.138 0.251 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.420 5.470 0.106 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.801 4.324 0.165 1.00 1.37 C ATOM 0 H VAL A 51 -2.074 4.008 1.101 1.00 0.70 H new ATOM 0 HA VAL A 51 0.270 2.412 1.534 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.013 3.495 -0.575 1.00 0.90 H new ATOM 0 HG11 VAL A 51 -0.116 5.946 -0.827 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.498 5.307 0.096 1.00 1.56 H new ATOM 0 HG13 VAL A 51 -0.159 6.116 0.944 1.00 1.56 H new ATOM 0 HG21 VAL A 51 2.053 4.823 -0.771 1.00 1.37 H new ATOM 0 HG22 VAL A 51 2.141 4.932 1.004 1.00 1.37 H new ATOM 0 HG23 VAL A 51 2.290 3.351 0.200 1.00 1.37 H new ATOM 803 N GLU A 52 -0.211 5.121 3.311 1.00 0.86 N ATOM 804 CA GLU A 52 0.275 5.875 4.457 1.00 0.93 C ATOM 805 C GLU A 52 0.388 4.980 5.682 1.00 0.95 C ATOM 806 O GLU A 52 1.461 4.855 6.265 1.00 1.07 O ATOM 807 CB GLU A 52 -0.644 7.063 4.763 1.00 0.91 C ATOM 808 CG GLU A 52 -0.304 7.769 6.069 1.00 1.13 C ATOM 809 CD GLU A 52 -0.971 9.120 6.199 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.218 9.169 6.266 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.247 10.140 6.253 1.00 1.40 O ATOM 0 H GLU A 52 -1.130 5.408 2.975 1.00 0.86 H new ATOM 0 HA GLU A 52 1.265 6.257 4.207 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.584 7.780 3.944 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.676 6.714 4.805 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.605 7.139 6.906 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.777 7.895 6.137 1.00 1.13 H new ATOM 818 N GLU A 53 -0.707 4.325 6.040 1.00 0.86 N ATOM 819 CA GLU A 53 -0.739 3.457 7.212 1.00 0.89 C ATOM 820 C GLU A 53 0.066 2.179 7.003 1.00 0.93 C ATOM 821 O GLU A 53 0.204 1.373 7.921 1.00 1.01 O ATOM 822 CB GLU A 53 -2.183 3.107 7.569 1.00 0.85 C ATOM 823 CG GLU A 53 -3.023 4.318 7.937 1.00 1.33 C ATOM 824 CD GLU A 53 -3.844 4.096 9.188 1.00 1.45 C ATOM 825 OE1 GLU A 53 -3.252 3.782 10.244 1.00 1.81 O ATOM 826 OE2 GLU A 53 -5.079 4.250 9.130 1.00 1.99 O ATOM 0 H GLU A 53 -1.591 4.378 5.533 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.280 4.006 8.034 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.645 2.597 6.724 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.184 2.406 8.404 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.370 5.178 8.083 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -3.688 4.560 7.108 1.00 1.33 H new ATOM 833 N ALA A 54 0.596 1.994 5.800 1.00 0.93 N ATOM 834 CA ALA A 54 1.390 0.812 5.491 1.00 1.00 C ATOM 835 C ALA A 54 2.706 0.819 6.266 1.00 1.15 C ATOM 836 O ALA A 54 3.261 -0.238 6.560 1.00 1.28 O ATOM 837 CB ALA A 54 1.656 0.716 3.995 1.00 1.06 C ATOM 0 H ALA A 54 0.490 2.647 5.023 1.00 0.93 H new ATOM 0 HA ALA A 54 0.818 -0.064 5.797 1.00 1.00 H new ATOM 0 HB1 ALA A 54 2.250 -0.174 3.787 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.708 0.652 3.460 1.00 1.06 H new ATOM 0 HB3 ALA A 54 2.200 1.601 3.665 1.00 1.06 H new ATOM 843 N THR A 55 3.202 2.014 6.585 1.00 1.21 N ATOM 844 CA THR A 55 4.456 2.156 7.332 1.00 1.38 C ATOM 845 C THR A 55 4.599 3.558 7.930 1.00 1.40 C ATOM 846 O THR A 55 5.647 3.906 8.475 1.00 1.55 O ATOM 847 CB THR A 55 5.678 1.876 6.432 1.00 1.60 C ATOM 848 OG1 THR A 55 5.287 1.913 5.052 1.00 1.81 O ATOM 849 CG2 THR A 55 6.302 0.525 6.751 1.00 1.77 C ATOM 0 H THR A 55 2.757 2.898 6.339 1.00 1.21 H new ATOM 0 HA THR A 55 4.421 1.424 8.138 1.00 1.38 H new ATOM 0 HB THR A 55 6.422 2.649 6.624 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.337 2.835 4.722 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.160 0.358 6.100 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.627 0.511 7.791 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.566 -0.263 6.591 1.00 1.77 H new ATOM 857 N GLY A 56 3.542 4.352 7.832 1.00 1.30 N ATOM 858 CA GLY A 56 3.578 5.705 8.343 1.00 1.34 C ATOM 859 C GLY A 56 4.289 6.635 7.384 1.00 1.42 C ATOM 860 O GLY A 56 5.315 7.224 7.717 1.00 1.55 O ATOM 0 H GLY A 56 2.656 4.080 7.405 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.561 6.060 8.511 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.084 5.718 9.308 1.00 1.34 H new ATOM 864 N VAL A 57 3.749 6.755 6.178 1.00 1.37 N ATOM 865 CA VAL A 57 4.341 7.598 5.153 1.00 1.46 C ATOM 866 C VAL A 57 3.367 8.680 4.708 1.00 1.37 C ATOM 867 O VAL A 57 2.304 8.379 4.166 1.00 1.26 O ATOM 868 CB VAL A 57 4.763 6.769 3.925 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.682 7.575 3.019 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.431 5.476 4.360 1.00 1.63 C ATOM 0 H VAL A 57 2.897 6.275 5.887 1.00 1.37 H new ATOM 0 HA VAL A 57 5.224 8.063 5.592 1.00 1.46 H new ATOM 0 HB VAL A 57 3.867 6.517 3.357 1.00 1.55 H new ATOM 0 HG11 VAL A 57 5.967 6.970 2.159 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.162 8.470 2.677 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.576 7.864 3.572 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.723 4.903 3.480 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.316 5.705 4.953 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.734 4.890 4.960 1.00 1.63 H new ATOM 880 N PRO A 58 3.721 9.955 4.932 1.00 1.45 N ATOM 881 CA PRO A 58 2.874 11.085 4.552 1.00 1.41 C ATOM 882 C PRO A 58 2.685 11.192 3.039 1.00 1.35 C ATOM 883 O PRO A 58 3.585 10.859 2.265 1.00 1.39 O ATOM 884 CB PRO A 58 3.623 12.306 5.098 1.00 1.56 C ATOM 885 CG PRO A 58 5.032 11.857 5.276 1.00 1.67 C ATOM 886 CD PRO A 58 4.969 10.389 5.582 1.00 1.63 C ATOM 0 HA PRO A 58 1.865 10.985 4.952 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.563 13.146 4.406 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.194 12.640 6.043 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.616 12.042 4.374 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.515 12.403 6.086 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.834 9.859 5.184 1.00 1.63 H new ATOM 0 HD3 PRO A 58 4.948 10.203 6.656 1.00 1.63 H new ATOM 894 N LEU A 59 1.511 11.677 2.641 1.00 1.29 N ATOM 895 CA LEU A 59 1.135 11.833 1.231 1.00 1.26 C ATOM 896 C LEU A 59 2.237 12.455 0.352 1.00 1.34 C ATOM 897 O LEU A 59 2.601 11.864 -0.660 1.00 1.35 O ATOM 898 CB LEU A 59 -0.158 12.651 1.119 1.00 1.25 C ATOM 899 CG LEU A 59 -1.453 11.838 1.191 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.573 12.674 1.787 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.842 11.342 -0.191 1.00 1.54 C ATOM 0 H LEU A 59 0.785 11.977 3.291 1.00 1.29 H new ATOM 0 HA LEU A 59 0.979 10.825 0.846 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.169 13.393 1.917 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.143 13.197 0.176 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.285 10.976 1.836 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.486 12.081 1.831 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.296 12.989 2.793 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.741 13.553 1.165 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.765 10.765 -0.124 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.993 12.194 -0.854 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -1.047 10.710 -0.588 1.00 1.54 H new ATOM 913 N PRO A 60 2.795 13.637 0.706 1.00 1.42 N ATOM 914 CA PRO A 60 3.838 14.291 -0.111 1.00 1.52 C ATOM 915 C PRO A 60 5.127 13.472 -0.256 1.00 1.60 C ATOM 916 O PRO A 60 5.985 13.797 -1.081 1.00 1.79 O ATOM 917 CB PRO A 60 4.132 15.594 0.647 1.00 1.61 C ATOM 918 CG PRO A 60 2.936 15.819 1.503 1.00 1.56 C ATOM 919 CD PRO A 60 2.453 14.453 1.886 1.00 1.46 C ATOM 0 HA PRO A 60 3.488 14.429 -1.134 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.037 15.505 1.248 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.287 16.425 -0.041 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.190 16.407 2.385 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.166 16.370 0.964 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.947 14.088 2.786 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.381 14.445 2.085 1.00 1.46 H new ATOM 927 N PHE A 61 5.271 12.418 0.535 1.00 1.55 N ATOM 928 CA PHE A 61 6.472 11.591 0.479 1.00 1.63 C ATOM 929 C PHE A 61 6.253 10.345 -0.373 1.00 1.59 C ATOM 930 O PHE A 61 7.207 9.677 -0.769 1.00 1.70 O ATOM 931 CB PHE A 61 6.906 11.190 1.888 1.00 1.66 C ATOM 932 CG PHE A 61 7.643 12.273 2.623 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.009 13.460 2.958 1.00 1.95 C ATOM 934 CD2 PHE A 61 8.971 12.106 2.976 1.00 2.00 C ATOM 935 CE1 PHE A 61 7.685 14.458 3.631 1.00 2.23 C ATOM 936 CE2 PHE A 61 9.652 13.101 3.651 1.00 2.25 C ATOM 937 CZ PHE A 61 9.008 14.279 3.978 1.00 2.34 C ATOM 0 H PHE A 61 4.578 12.115 1.219 1.00 1.55 H new ATOM 0 HA PHE A 61 7.260 12.183 0.015 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.025 10.907 2.464 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.543 10.307 1.825 1.00 1.66 H new ATOM 0 HD1 PHE A 61 5.973 13.606 2.689 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.480 11.188 2.721 1.00 2.00 H new ATOM 0 HE1 PHE A 61 7.179 15.377 3.885 1.00 2.23 H new ATOM 0 HE2 PHE A 61 10.687 12.958 3.923 1.00 2.25 H new ATOM 0 HZ PHE A 61 9.539 15.058 4.504 1.00 2.34 H new ATOM 947 N GLN A 62 5.000 10.045 -0.660 1.00 1.47 N ATOM 948 CA GLN A 62 4.667 8.876 -1.456 1.00 1.44 C ATOM 949 C GLN A 62 4.023 9.291 -2.772 1.00 1.40 C ATOM 950 O GLN A 62 3.874 10.479 -3.059 1.00 1.55 O ATOM 951 CB GLN A 62 3.737 7.935 -0.672 1.00 1.38 C ATOM 952 CG GLN A 62 2.633 8.653 0.092 1.00 1.35 C ATOM 953 CD GLN A 62 1.265 8.490 -0.541 1.00 1.64 C ATOM 954 OE1 GLN A 62 1.138 8.291 -1.750 1.00 2.14 O ATOM 955 NE2 GLN A 62 0.228 8.581 0.275 1.00 1.66 N ATOM 0 H GLN A 62 4.196 10.593 -0.355 1.00 1.47 H new ATOM 0 HA GLN A 62 5.589 8.339 -1.679 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.284 7.227 -1.366 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.333 7.354 0.032 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.601 8.274 1.113 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.874 9.714 0.153 1.00 1.35 H new ATOM 0 HE21 GLN A 62 0.375 8.747 1.271 1.00 1.66 H new ATOM 0 HE22 GLN A 62 -0.719 8.486 -0.091 1.00 1.66 H new ATOM 964 N LYS A 63 3.666 8.303 -3.574 1.00 1.42 N ATOM 965 CA LYS A 63 3.031 8.545 -4.857 1.00 1.38 C ATOM 966 C LYS A 63 2.190 7.336 -5.249 1.00 1.27 C ATOM 967 O LYS A 63 2.569 6.554 -6.124 1.00 1.31 O ATOM 968 CB LYS A 63 4.076 8.847 -5.935 1.00 1.51 C ATOM 969 CG LYS A 63 3.490 9.511 -7.171 1.00 1.64 C ATOM 970 CD LYS A 63 4.568 9.862 -8.183 1.00 1.73 C ATOM 971 CE LYS A 63 4.031 10.787 -9.265 1.00 1.94 C ATOM 972 NZ LYS A 63 3.773 12.160 -8.752 1.00 2.29 N ATOM 0 H LYS A 63 3.807 7.317 -3.356 1.00 1.42 H new ATOM 0 HA LYS A 63 2.382 9.416 -4.769 1.00 1.38 H new ATOM 0 HB2 LYS A 63 4.846 9.494 -5.514 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.565 7.918 -6.228 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.761 8.844 -7.632 1.00 1.64 H new ATOM 0 HG3 LYS A 63 2.955 10.415 -6.880 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.405 10.341 -7.675 1.00 1.73 H new ATOM 0 HD3 LYS A 63 4.952 8.950 -8.639 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.746 10.836 -10.087 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.108 10.373 -9.670 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 3.639 12.810 -9.553 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 2.916 12.155 -8.163 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 4.583 12.475 -8.182 1.00 2.29 H new ATOM 986 N LEU A 64 1.071 7.169 -4.558 1.00 1.16 N ATOM 987 CA LEU A 64 0.163 6.058 -4.812 1.00 1.06 C ATOM 988 C LEU A 64 -0.482 6.180 -6.189 1.00 1.05 C ATOM 989 O LEU A 64 -1.221 7.127 -6.457 1.00 1.06 O ATOM 990 CB LEU A 64 -0.926 6.014 -3.732 1.00 0.98 C ATOM 991 CG LEU A 64 -1.497 4.626 -3.403 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.400 4.124 -4.520 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.375 3.637 -3.141 1.00 1.06 C ATOM 0 H LEU A 64 0.768 7.794 -3.811 1.00 1.16 H new ATOM 0 HA LEU A 64 0.741 5.134 -4.784 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.519 6.443 -2.817 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.748 6.657 -4.047 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.099 4.717 -2.499 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -2.789 3.140 -4.259 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.230 4.818 -4.657 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -1.829 4.054 -5.446 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -0.798 2.660 -2.910 1.00 1.06 H new ATOM 0 HD22 LEU A 64 0.256 3.559 -4.027 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.224 3.982 -2.298 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.192 5.224 -7.060 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.758 5.208 -8.400 1.00 1.08 C ATOM 1007 C ILE A 65 -1.286 3.811 -8.717 1.00 1.05 C ATOM 1008 O ILE A 65 -0.577 2.972 -9.279 1.00 1.15 O ATOM 1009 CB ILE A 65 0.266 5.642 -9.477 1.00 1.22 C ATOM 1010 CG1 ILE A 65 0.828 7.032 -9.156 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.384 5.643 -10.857 1.00 1.42 C ATOM 1012 CD1 ILE A 65 1.855 7.521 -10.152 1.00 1.42 C ATOM 0 H ILE A 65 0.436 4.445 -6.860 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.574 5.930 -8.421 1.00 1.08 H new ATOM 0 HB ILE A 65 1.089 4.927 -9.477 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.005 7.746 -9.117 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.279 7.011 -8.164 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.348 5.950 -11.604 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.742 4.641 -11.091 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -1.223 6.339 -10.864 1.00 1.42 H new ATOM 0 HD11 ILE A 65 2.205 8.510 -9.857 1.00 1.42 H new ATOM 0 HD12 ILE A 65 2.697 6.830 -10.175 1.00 1.42 H new ATOM 0 HD13 ILE A 65 1.404 7.576 -11.143 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.525 3.560 -8.314 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.174 2.277 -8.542 1.00 0.91 C ATOM 1026 C PHE A 66 -4.670 2.403 -8.280 1.00 0.84 C ATOM 1027 O PHE A 66 -5.148 3.483 -7.926 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.570 1.190 -7.646 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.210 -0.076 -8.376 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -2.918 -0.480 -9.497 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.165 -0.871 -7.933 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.591 -1.645 -10.160 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.833 -2.038 -8.592 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.546 -2.426 -9.706 1.00 1.16 C ATOM 0 H PHE A 66 -3.106 4.238 -7.821 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.013 1.987 -9.580 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.676 1.586 -7.164 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.280 0.951 -6.854 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.737 0.125 -9.856 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.603 -0.574 -7.060 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.151 -1.946 -11.033 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.015 -2.646 -8.235 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.288 -3.339 -10.223 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.398 1.298 -8.452 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.850 1.267 -8.259 1.00 0.89 C ATOM 1046 C LYS A 67 -7.545 2.192 -9.258 1.00 0.84 C ATOM 1047 O LYS A 67 -8.730 2.502 -9.117 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.233 1.648 -6.816 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.789 0.623 -5.777 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.893 0.306 -4.775 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.732 1.080 -3.474 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.657 0.578 -2.417 1.00 0.54 N ATOM 0 H LYS A 67 -4.999 0.401 -8.728 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.187 0.245 -8.436 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.790 2.614 -6.574 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.315 1.769 -6.756 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -6.483 -0.294 -6.281 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -5.916 1.001 -5.246 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -8.861 0.541 -5.218 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -7.891 -0.763 -4.562 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -6.702 0.997 -3.126 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -7.924 2.138 -3.653 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.775 1.306 -1.684 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -9.582 0.360 -2.840 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -8.261 -0.283 -1.989 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.796 2.615 -10.275 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.330 3.503 -11.288 1.00 0.93 C ATOM 1068 C GLY A 68 -7.361 4.948 -10.827 1.00 0.94 C ATOM 1069 O GLY A 68 -7.975 5.802 -11.471 1.00 1.05 O ATOM 0 H GLY A 68 -5.820 2.354 -10.413 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.726 3.425 -12.192 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.339 3.186 -11.551 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.684 5.231 -9.717 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.664 6.578 -9.159 1.00 0.93 C ATOM 1075 C LYS A 69 -5.249 7.032 -8.822 1.00 0.96 C ATOM 1076 O LYS A 69 -4.273 6.327 -9.089 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.521 6.646 -7.889 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.568 5.547 -7.782 1.00 1.07 C ATOM 1079 CD LYS A 69 -9.026 5.352 -6.346 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.909 6.498 -5.885 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.223 6.497 -6.584 1.00 1.50 N ATOM 0 H LYS A 69 -6.144 4.546 -9.188 1.00 0.89 H new ATOM 0 HA LYS A 69 -7.071 7.243 -9.921 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.866 6.594 -7.019 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -8.022 7.614 -7.854 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.425 5.797 -8.407 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.157 4.613 -8.164 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.573 4.413 -6.261 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.157 5.275 -5.693 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.069 6.424 -4.809 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.401 7.445 -6.067 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.881 7.132 -6.088 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -11.096 6.826 -7.562 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.612 5.532 -6.591 1.00 1.50 H new ATOM 1095 N SER A 70 -5.158 8.213 -8.225 1.00 0.95 N ATOM 1096 CA SER A 70 -3.889 8.794 -7.819 1.00 1.00 C ATOM 1097 C SER A 70 -3.979 9.219 -6.354 1.00 0.93 C ATOM 1098 O SER A 70 -5.081 9.406 -5.828 1.00 0.89 O ATOM 1099 CB SER A 70 -3.548 9.997 -8.709 1.00 1.17 C ATOM 1100 OG SER A 70 -2.204 10.415 -8.531 1.00 1.46 O ATOM 0 H SER A 70 -5.967 8.796 -8.009 1.00 0.95 H new ATOM 0 HA SER A 70 -3.096 8.054 -7.930 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.713 9.735 -9.754 1.00 1.17 H new ATOM 0 HB3 SER A 70 -4.220 10.823 -8.478 1.00 1.17 H new ATOM 0 HG SER A 70 -2.020 11.181 -9.113 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.830 9.374 -5.709 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.771 9.757 -4.301 1.00 0.99 C ATOM 1108 C LEU A 71 -3.443 11.108 -4.043 1.00 1.00 C ATOM 1109 O LEU A 71 -2.975 12.155 -4.496 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.317 9.784 -3.803 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.425 10.886 -4.389 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.702 11.225 -3.430 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.139 10.469 -5.740 1.00 1.28 C ATOM 0 H LEU A 71 -1.917 9.239 -6.142 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.324 9.002 -3.742 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.327 9.891 -2.718 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.860 8.819 -4.024 1.00 1.11 H new ATOM 0 HG LEU A 71 -1.039 11.775 -4.535 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.324 12.008 -3.862 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.284 11.574 -2.486 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.308 10.337 -3.252 1.00 1.35 H new ATOM 0 HD21 LEU A 71 0.768 11.268 -6.134 1.00 1.28 H new ATOM 0 HD22 LEU A 71 0.734 9.563 -5.622 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.680 10.277 -6.433 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.550 11.067 -3.313 1.00 0.95 N ATOM 1126 CA LYS A 72 -5.304 12.261 -2.967 1.00 0.99 C ATOM 1127 C LYS A 72 -6.367 11.908 -1.944 1.00 0.95 C ATOM 1128 O LYS A 72 -6.688 10.734 -1.764 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.957 12.875 -4.209 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.371 14.223 -4.589 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.695 14.588 -6.026 1.00 1.29 C ATOM 1132 CE LYS A 72 -7.094 15.163 -6.159 1.00 1.62 C ATOM 1133 NZ LYS A 72 -7.394 15.555 -7.561 1.00 1.90 N ATOM 0 H LYS A 72 -4.949 10.204 -2.945 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.619 12.996 -2.545 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.845 12.188 -5.048 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -7.026 12.988 -4.031 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.761 14.991 -3.921 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.290 14.202 -4.453 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -4.968 15.314 -6.390 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -5.604 13.703 -6.655 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -7.824 14.427 -5.822 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -7.194 16.032 -5.508 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -8.225 16.179 -7.577 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -6.577 16.057 -7.964 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -7.590 14.704 -8.125 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.900 12.915 -1.272 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.936 12.695 -0.276 1.00 1.01 C ATOM 1149 C GLU A 73 -9.272 12.500 -0.968 1.00 0.98 C ATOM 1150 O GLU A 73 -10.092 11.693 -0.549 1.00 1.01 O ATOM 1151 CB GLU A 73 -8.008 13.871 0.691 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.663 14.245 1.283 1.00 1.33 C ATOM 1153 CD GLU A 73 -6.641 15.659 1.813 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -7.008 16.584 1.059 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -6.247 15.859 2.983 1.00 1.98 O ATOM 0 H GLU A 73 -6.633 13.891 -1.398 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.693 11.799 0.296 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -8.421 14.735 0.171 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -8.697 13.626 1.499 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.419 13.554 2.090 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.890 14.133 0.522 1.00 1.33 H new ATOM 1162 N MET A 74 -9.481 13.250 -2.035 1.00 1.01 N ATOM 1163 CA MET A 74 -10.704 13.154 -2.810 1.00 1.03 C ATOM 1164 C MET A 74 -10.386 13.280 -4.294 1.00 1.05 C ATOM 1165 O MET A 74 -10.085 14.366 -4.792 1.00 1.16 O ATOM 1166 CB MET A 74 -11.728 14.215 -2.373 1.00 1.15 C ATOM 1167 CG MET A 74 -11.150 15.614 -2.207 1.00 1.26 C ATOM 1168 SD MET A 74 -12.374 16.801 -1.618 1.00 1.65 S ATOM 1169 CE MET A 74 -11.377 18.287 -1.515 1.00 1.77 C ATOM 0 H MET A 74 -8.814 13.937 -2.386 1.00 1.01 H new ATOM 0 HA MET A 74 -11.153 12.178 -2.628 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.532 14.252 -3.108 1.00 1.15 H new ATOM 0 HB3 MET A 74 -12.174 13.905 -1.428 1.00 1.15 H new ATOM 0 HG2 MET A 74 -10.316 15.578 -1.506 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.749 15.954 -3.162 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.993 19.115 -1.164 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.554 18.126 -0.818 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.976 18.525 -2.500 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.422 12.155 -4.990 1.00 1.07 N ATOM 1180 CA GLU A 75 -10.137 12.127 -6.416 1.00 1.14 C ATOM 1181 C GLU A 75 -11.345 11.592 -7.183 1.00 1.13 C ATOM 1182 O GLU A 75 -12.219 12.358 -7.589 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.887 11.275 -6.685 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.520 11.140 -8.159 1.00 1.28 C ATOM 1185 CD GLU A 75 -8.452 12.473 -8.880 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -7.424 13.167 -8.773 1.00 1.89 O ATOM 1187 OE2 GLU A 75 -9.431 12.837 -9.560 1.00 1.65 O ATOM 0 H GLU A 75 -10.647 11.245 -4.588 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.939 13.141 -6.763 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -8.043 11.712 -6.152 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -9.045 10.280 -6.270 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.556 10.639 -8.243 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.254 10.503 -8.653 1.00 1.28 H new ATOM 1194 N THR A 76 -11.407 10.280 -7.364 1.00 1.06 N ATOM 1195 CA THR A 76 -12.508 9.668 -8.081 1.00 1.09 C ATOM 1196 C THR A 76 -13.511 9.042 -7.112 1.00 1.04 C ATOM 1197 O THR A 76 -13.159 8.738 -5.971 1.00 0.98 O ATOM 1198 CB THR A 76 -11.994 8.599 -9.063 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.694 8.148 -8.654 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.919 9.156 -10.476 1.00 1.29 C ATOM 0 H THR A 76 -10.706 9.622 -7.023 1.00 1.06 H new ATOM 0 HA THR A 76 -13.011 10.452 -8.646 1.00 1.09 H new ATOM 0 HB THR A 76 -12.691 7.761 -9.056 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.304 7.590 -9.359 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.553 8.384 -11.153 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.911 9.477 -10.794 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.239 10.007 -10.496 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.766 8.854 -7.572 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.866 8.271 -6.782 1.00 1.14 C ATOM 1210 C PRO A 77 -15.465 7.084 -5.903 1.00 1.01 C ATOM 1211 O PRO A 77 -14.490 6.375 -6.184 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.834 7.818 -7.867 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.670 8.823 -8.948 1.00 1.36 C ATOM 1214 CD PRO A 77 -15.221 9.222 -8.929 1.00 1.24 C ATOM 0 HA PRO A 77 -16.262 8.991 -6.066 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.596 6.814 -8.218 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.860 7.793 -7.500 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.946 8.404 -9.915 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -17.314 9.686 -8.779 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.652 8.697 -9.697 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -15.098 10.289 -9.115 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.258 6.865 -4.858 1.00 1.03 N ATOM 1223 CA LEU A 78 -16.025 5.789 -3.894 1.00 0.97 C ATOM 1224 C LEU A 78 -16.189 4.424 -4.544 1.00 0.95 C ATOM 1225 O LEU A 78 -15.495 3.470 -4.194 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.980 5.920 -2.702 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.717 7.106 -1.770 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.368 8.372 -2.300 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -17.222 6.794 -0.375 1.00 1.22 C ATOM 0 H LEU A 78 -17.083 7.429 -4.654 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.999 5.878 -3.538 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.998 5.999 -3.082 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.929 5.002 -2.116 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.641 7.275 -1.727 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -17.165 9.198 -1.619 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.962 8.605 -3.284 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.445 8.222 -2.378 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -17.030 7.644 0.280 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -18.294 6.599 -0.411 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.706 5.915 0.011 1.00 1.22 H new ATOM 1241 N SER A 79 -17.102 4.332 -5.503 1.00 1.07 N ATOM 1242 CA SER A 79 -17.341 3.084 -6.211 1.00 1.12 C ATOM 1243 C SER A 79 -16.119 2.709 -7.047 1.00 1.00 C ATOM 1244 O SER A 79 -15.981 1.574 -7.502 1.00 1.04 O ATOM 1245 CB SER A 79 -18.579 3.213 -7.096 1.00 1.31 C ATOM 1246 OG SER A 79 -19.682 3.711 -6.355 1.00 1.68 O ATOM 0 H SER A 79 -17.689 5.109 -5.807 1.00 1.07 H new ATOM 0 HA SER A 79 -17.516 2.292 -5.483 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.366 3.880 -7.931 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.830 2.241 -7.521 1.00 1.31 H new ATOM 0 HG SER A 79 -19.692 3.298 -5.466 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.228 3.676 -7.231 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.008 3.469 -7.987 1.00 0.88 C ATOM 1254 C ALA A 80 -12.816 3.416 -7.038 1.00 0.74 C ATOM 1255 O ALA A 80 -11.740 3.935 -7.333 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.830 4.573 -9.022 1.00 1.02 C ATOM 0 H ALA A 80 -15.334 4.620 -6.860 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.073 2.519 -8.517 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.910 4.403 -9.581 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.677 4.569 -9.708 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.776 5.538 -8.519 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.031 2.819 -5.874 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.984 2.681 -4.871 1.00 0.55 C ATOM 1264 C LEU A 81 -11.554 1.227 -4.768 1.00 0.52 C ATOM 1265 O LEU A 81 -10.996 0.806 -3.756 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.484 3.157 -3.504 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.747 4.354 -2.899 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.239 4.191 -3.020 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.203 5.645 -3.553 1.00 0.75 C ATOM 0 H LEU A 81 -13.928 2.420 -5.600 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.135 3.295 -5.173 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.539 3.414 -3.595 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.418 2.324 -2.805 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.992 4.399 -1.838 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.743 5.057 -2.581 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.927 3.289 -2.493 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.965 4.110 -4.072 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.669 6.486 -3.110 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.994 5.605 -4.622 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.274 5.773 -3.397 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.796 0.470 -5.826 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.450 -0.932 -5.822 1.00 0.62 C ATOM 1283 C GLY A 82 -12.415 -1.734 -4.980 1.00 0.63 C ATOM 1284 O GLY A 82 -12.071 -2.175 -3.884 1.00 0.64 O ATOM 0 H GLY A 82 -12.227 0.804 -6.688 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.453 -1.312 -6.844 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.438 -1.058 -5.438 1.00 0.62 H new ATOM 1288 N MET A 83 -13.626 -1.915 -5.491 1.00 0.84 N ATOM 1289 CA MET A 83 -14.655 -2.659 -4.774 1.00 1.01 C ATOM 1290 C MET A 83 -14.372 -4.162 -4.798 1.00 0.98 C ATOM 1291 O MET A 83 -15.003 -4.929 -5.526 1.00 1.26 O ATOM 1292 CB MET A 83 -16.055 -2.352 -5.335 1.00 1.34 C ATOM 1293 CG MET A 83 -16.157 -2.423 -6.852 1.00 1.54 C ATOM 1294 SD MET A 83 -17.803 -1.996 -7.452 1.00 2.03 S ATOM 1295 CE MET A 83 -17.540 -2.058 -9.223 1.00 2.27 C ATOM 0 H MET A 83 -13.920 -1.557 -6.400 1.00 0.84 H new ATOM 0 HA MET A 83 -14.632 -2.333 -3.734 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.768 -3.054 -4.902 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.352 -1.355 -5.010 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.425 -1.747 -7.294 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.902 -3.430 -7.184 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.470 -1.816 -9.738 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.772 -1.336 -9.502 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.217 -3.059 -9.508 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.398 -4.562 -3.999 1.00 0.89 N ATOM 1306 CA GLN A 84 -12.992 -5.950 -3.881 1.00 0.89 C ATOM 1307 C GLN A 84 -12.275 -6.137 -2.557 1.00 0.84 C ATOM 1308 O GLN A 84 -12.324 -5.252 -1.707 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.085 -6.357 -5.044 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.023 -5.328 -5.391 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.415 -5.561 -6.760 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.413 -6.262 -6.898 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.020 -4.983 -7.784 1.00 1.38 N ATOM 0 H GLN A 84 -12.862 -3.926 -3.409 1.00 0.89 H new ATOM 0 HA GLN A 84 -13.875 -6.588 -3.916 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -11.596 -7.299 -4.797 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.701 -6.539 -5.925 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.463 -4.331 -5.357 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.236 -5.355 -4.638 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.849 -4.409 -7.629 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.658 -5.111 -8.729 1.00 1.38 H new ATOM 1322 N ASN A 85 -11.599 -7.262 -2.377 1.00 0.74 N ATOM 1323 CA ASN A 85 -10.890 -7.518 -1.128 1.00 0.78 C ATOM 1324 C ASN A 85 -9.582 -6.745 -1.054 1.00 0.72 C ATOM 1325 O ASN A 85 -8.500 -7.327 -1.113 1.00 0.98 O ATOM 1326 CB ASN A 85 -10.626 -9.011 -0.919 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.222 -9.737 -2.183 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.059 -10.009 -3.047 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -8.953 -10.088 -2.288 1.00 1.09 N ATOM 0 H ASN A 85 -11.525 -8.006 -3.071 1.00 0.74 H new ATOM 0 HA ASN A 85 -11.542 -7.170 -0.327 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -9.840 -9.132 -0.174 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -11.524 -9.477 -0.513 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.633 -10.604 -3.107 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -8.293 -9.843 -1.550 1.00 1.09 H new ATOM 1336 N GLY A 86 -9.695 -5.430 -0.948 1.00 0.62 N ATOM 1337 CA GLY A 86 -8.529 -4.584 -0.830 1.00 0.57 C ATOM 1338 C GLY A 86 -7.986 -4.105 -2.158 1.00 0.51 C ATOM 1339 O GLY A 86 -7.784 -2.903 -2.338 1.00 0.49 O ATOM 0 H GLY A 86 -10.584 -4.930 -0.942 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -8.780 -3.718 -0.217 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -7.746 -5.131 -0.304 1.00 0.57 H new ATOM 1343 N CYS A 87 -7.759 -5.049 -3.076 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.204 -4.758 -4.402 1.00 0.62 C ATOM 1345 C CYS A 87 -5.686 -4.573 -4.292 1.00 0.65 C ATOM 1346 O CYS A 87 -5.048 -5.171 -3.420 1.00 0.68 O ATOM 1347 CB CYS A 87 -7.874 -3.526 -5.036 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.559 -3.316 -6.806 1.00 0.79 S ATOM 0 H CYS A 87 -7.955 -6.038 -2.921 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.410 -5.602 -5.060 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -8.950 -3.594 -4.879 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.531 -2.634 -4.512 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.229 -4.207 -7.475 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.104 -3.754 -5.160 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.662 -3.527 -5.149 1.00 0.77 C ATOM 1356 C ARG A 88 -3.354 -2.036 -5.175 1.00 0.75 C ATOM 1357 O ARG A 88 -4.030 -1.277 -5.867 1.00 0.72 O ATOM 1358 CB ARG A 88 -2.993 -4.190 -6.362 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.465 -5.607 -6.655 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.639 -5.624 -7.626 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.268 -5.143 -8.961 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.129 -4.606 -9.829 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.409 -4.461 -9.506 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -4.702 -4.211 -11.025 1.00 1.74 N ATOM 0 H ARG A 88 -5.607 -3.236 -5.880 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.268 -3.968 -4.233 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.174 -3.572 -7.242 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -1.915 -4.207 -6.201 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.641 -6.186 -7.072 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.757 -6.093 -5.724 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.028 -6.639 -7.704 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.443 -5.004 -7.230 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.291 -5.224 -9.244 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.741 -4.761 -8.589 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.060 -4.050 -10.175 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -3.719 -4.319 -11.277 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.357 -3.800 -11.690 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.341 -1.624 -4.418 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.923 -0.225 -4.376 1.00 0.79 C ATOM 1380 C VAL A 89 -0.399 -0.130 -4.365 1.00 0.92 C ATOM 1381 O VAL A 89 0.266 -0.718 -3.516 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.498 0.548 -3.158 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.992 0.771 -3.313 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.194 -0.165 -1.848 1.00 0.69 C ATOM 0 H VAL A 89 -1.791 -2.243 -3.822 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.325 0.243 -5.274 1.00 0.79 H new ATOM 0 HB VAL A 89 -2.007 1.521 -3.127 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.371 1.314 -2.447 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.182 1.351 -4.216 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.498 -0.192 -3.387 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.612 0.405 -1.018 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.638 -1.160 -1.864 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.115 -0.251 -1.722 1.00 0.69 H new ATOM 1394 N MET A 90 0.152 0.593 -5.321 1.00 0.97 N ATOM 1395 CA MET A 90 1.592 0.752 -5.408 1.00 1.10 C ATOM 1396 C MET A 90 1.947 2.225 -5.434 1.00 1.14 C ATOM 1397 O MET A 90 1.203 3.043 -5.981 1.00 1.13 O ATOM 1398 CB MET A 90 2.151 0.053 -6.654 1.00 1.21 C ATOM 1399 CG MET A 90 1.950 0.830 -7.949 1.00 1.49 C ATOM 1400 SD MET A 90 2.883 0.137 -9.327 1.00 1.66 S ATOM 1401 CE MET A 90 2.511 1.331 -10.613 1.00 2.09 C ATOM 0 H MET A 90 -0.374 1.079 -6.047 1.00 0.97 H new ATOM 0 HA MET A 90 2.041 0.288 -4.530 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.217 -0.123 -6.511 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.677 -0.924 -6.752 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.890 0.839 -8.202 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.251 1.867 -7.797 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.017 1.043 -11.535 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.435 1.359 -10.783 1.00 2.09 H new ATOM 0 HE3 MET A 90 2.855 2.318 -10.304 1.00 2.09 H new ATOM 1411 N LEU A 91 3.072 2.567 -4.835 1.00 1.21 N ATOM 1412 CA LEU A 91 3.511 3.947 -4.804 1.00 1.27 C ATOM 1413 C LEU A 91 4.918 4.079 -5.365 1.00 1.41 C ATOM 1414 O LEU A 91 5.794 3.252 -5.100 1.00 1.47 O ATOM 1415 CB LEU A 91 3.383 4.558 -3.382 1.00 1.22 C ATOM 1416 CG LEU A 91 4.405 4.153 -2.292 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.639 2.652 -2.246 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.718 4.906 -2.456 1.00 1.42 C ATOM 0 H LEU A 91 3.696 1.910 -4.365 1.00 1.21 H new ATOM 0 HA LEU A 91 2.849 4.526 -5.448 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.426 5.642 -3.486 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.389 4.313 -3.008 1.00 1.22 H new ATOM 0 HG LEU A 91 3.968 4.437 -1.334 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.364 2.420 -1.465 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.699 2.144 -2.031 1.00 1.25 H new ATOM 0 HD13 LEU A 91 5.022 2.314 -3.209 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.414 4.599 -1.675 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.147 4.682 -3.433 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.535 5.978 -2.378 1.00 1.42 H new ATOM 1430 N ILE A 92 5.118 5.111 -6.164 1.00 1.50 N ATOM 1431 CA ILE A 92 6.413 5.361 -6.771 1.00 1.65 C ATOM 1432 C ILE A 92 7.111 6.510 -6.057 1.00 1.71 C ATOM 1433 O ILE A 92 7.024 7.664 -6.480 1.00 1.89 O ATOM 1434 CB ILE A 92 6.285 5.690 -8.273 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.337 4.697 -8.954 1.00 1.66 C ATOM 1436 CG2 ILE A 92 7.654 5.672 -8.943 1.00 1.96 C ATOM 1437 CD1 ILE A 92 4.988 5.068 -10.378 1.00 1.79 C ATOM 0 H ILE A 92 4.398 5.791 -6.408 1.00 1.50 H new ATOM 0 HA ILE A 92 7.004 4.450 -6.672 1.00 1.65 H new ATOM 0 HB ILE A 92 5.869 6.692 -8.376 1.00 1.74 H new ATOM 0 HG12 ILE A 92 5.795 3.708 -8.948 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.419 4.627 -8.371 1.00 1.66 H new ATOM 0 HG21 ILE A 92 7.544 5.906 -10.002 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.299 6.414 -8.472 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.099 4.683 -8.835 1.00 1.96 H new ATOM 0 HD11 ILE A 92 4.314 4.319 -10.794 1.00 1.79 H new ATOM 0 HD12 ILE A 92 4.500 6.043 -10.391 1.00 1.79 H new ATOM 0 HD13 ILE A 92 5.898 5.110 -10.977 1.00 1.79 H new ATOM 1449 N GLY A 93 7.776 6.192 -4.957 1.00 1.73 N ATOM 1450 CA GLY A 93 8.474 7.207 -4.196 1.00 1.80 C ATOM 1451 C GLY A 93 9.051 6.667 -2.904 1.00 1.84 C ATOM 1452 O GLY A 93 9.591 5.556 -2.870 1.00 1.89 O ATOM 0 H GLY A 93 7.845 5.248 -4.577 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.278 7.624 -4.803 1.00 1.80 H new ATOM 0 HA3 GLY A 93 7.788 8.024 -3.971 1.00 1.80 H new ATOM 1456 N GLU A 94 8.909 7.437 -1.836 1.00 1.88 N ATOM 1457 CA GLU A 94 9.435 7.051 -0.538 1.00 1.97 C ATOM 1458 C GLU A 94 8.428 6.222 0.249 1.00 1.80 C ATOM 1459 O GLU A 94 7.251 6.151 -0.099 1.00 1.84 O ATOM 1460 CB GLU A 94 9.827 8.298 0.256 1.00 2.22 C ATOM 1461 CG GLU A 94 11.324 8.437 0.467 1.00 2.66 C ATOM 1462 CD GLU A 94 11.813 7.742 1.722 1.00 2.63 C ATOM 1463 OE1 GLU A 94 11.248 6.693 2.102 1.00 2.85 O ATOM 1464 OE2 GLU A 94 12.771 8.244 2.341 1.00 3.03 O ATOM 0 H GLU A 94 8.431 8.338 -1.845 1.00 1.88 H new ATOM 0 HA GLU A 94 10.318 6.433 -0.702 1.00 1.97 H new ATOM 0 HB2 GLU A 94 9.458 9.181 -0.265 1.00 2.22 H new ATOM 0 HB3 GLU A 94 9.332 8.271 1.227 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.847 8.025 -0.396 1.00 2.66 H new ATOM 0 HG3 GLU A 94 11.581 9.495 0.521 1.00 2.66 H new ATOM 1471 N LYS A 95 8.913 5.599 1.308 1.00 1.82 N ATOM 1472 CA LYS A 95 8.097 4.767 2.175 1.00 1.72 C ATOM 1473 C LYS A 95 8.903 4.416 3.418 1.00 1.77 C ATOM 1474 O LYS A 95 9.218 3.249 3.673 1.00 1.96 O ATOM 1475 CB LYS A 95 7.638 3.496 1.448 1.00 1.81 C ATOM 1476 CG LYS A 95 6.457 2.801 2.113 1.00 1.79 C ATOM 1477 CD LYS A 95 5.972 1.613 1.298 1.00 2.06 C ATOM 1478 CE LYS A 95 5.080 0.687 2.114 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.840 0.000 3.192 1.00 2.38 N ATOM 0 H LYS A 95 9.891 5.656 1.593 1.00 1.82 H new ATOM 0 HA LYS A 95 7.201 5.317 2.463 1.00 1.72 H new ATOM 0 HB2 LYS A 95 7.367 3.752 0.424 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.474 2.799 1.392 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.746 2.465 3.109 1.00 1.79 H new ATOM 0 HG3 LYS A 95 5.641 3.512 2.241 1.00 1.79 H new ATOM 0 HD2 LYS A 95 5.423 1.971 0.427 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.831 1.054 0.926 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.264 1.261 2.553 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.629 -0.056 1.457 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 5.487 -0.972 3.300 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 6.850 -0.024 2.944 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.715 0.515 4.087 1.00 2.38 H new ATOM 1493 N SER A 96 9.263 5.446 4.169 1.00 1.80 N ATOM 1494 CA SER A 96 10.038 5.281 5.383 1.00 1.92 C ATOM 1495 C SER A 96 9.188 4.694 6.503 1.00 1.83 C ATOM 1496 O SER A 96 7.969 4.565 6.378 1.00 1.95 O ATOM 1497 CB SER A 96 10.628 6.622 5.818 1.00 2.15 C ATOM 1498 OG SER A 96 11.499 7.140 4.830 1.00 2.38 O ATOM 0 H SER A 96 9.026 6.414 3.953 1.00 1.80 H new ATOM 0 HA SER A 96 10.850 4.585 5.173 1.00 1.92 H new ATOM 0 HB2 SER A 96 9.823 7.333 6.007 1.00 2.15 H new ATOM 0 HB3 SER A 96 11.170 6.497 6.756 1.00 2.15 H new ATOM 0 HG SER A 96 12.379 6.718 4.916 1.00 2.38 H new ATOM 1504 N ASN A 97 9.853 4.329 7.584 1.00 1.89 N ATOM 1505 CA ASN A 97 9.201 3.753 8.746 1.00 1.93 C ATOM 1506 C ASN A 97 10.056 4.003 9.974 1.00 2.29 C ATOM 1507 O ASN A 97 11.113 3.350 10.093 1.00 2.53 O ATOM 1508 CB ASN A 97 8.994 2.247 8.561 1.00 1.89 C ATOM 1509 CG ASN A 97 8.278 1.608 9.737 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.711 0.581 10.260 1.00 2.24 O ATOM 1511 ND2 ASN A 97 7.168 2.200 10.145 1.00 1.96 N ATOM 1512 OXT ASN A 97 9.692 4.868 10.794 1.00 2.61 O ATOM 0 H ASN A 97 10.864 4.424 7.681 1.00 1.89 H new ATOM 0 HA ASN A 97 8.225 4.222 8.870 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.419 2.072 7.652 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.962 1.765 8.424 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.636 1.807 10.921 1.00 1.96 H new ATOM 0 HD22 ASN A 97 6.844 3.050 9.684 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 22.131 2.855 8.620 1.00 5.24 N ATOM 1521 CA ARG B 185 20.924 3.470 8.024 1.00 5.09 C ATOM 1522 C ARG B 185 19.663 2.818 8.578 1.00 5.04 C ATOM 1523 O ARG B 185 19.687 1.662 8.996 1.00 4.90 O ATOM 1524 CB ARG B 185 20.947 3.338 6.495 1.00 4.43 C ATOM 1525 CG ARG B 185 20.981 1.901 6.010 1.00 4.00 C ATOM 1526 CD ARG B 185 20.382 1.756 4.622 1.00 3.44 C ATOM 1527 NE ARG B 185 21.289 2.223 3.576 1.00 3.76 N ATOM 1528 CZ ARG B 185 21.237 1.811 2.310 1.00 3.61 C ATOM 1529 NH1 ARG B 185 20.343 0.902 1.939 1.00 3.10 N ATOM 1530 NH2 ARG B 185 22.091 2.298 1.419 1.00 4.24 N ATOM 0 HA ARG B 185 20.921 4.528 8.286 1.00 5.09 H new ATOM 0 HB2 ARG B 185 20.067 3.831 6.083 1.00 4.43 H new ATOM 0 HB3 ARG B 185 21.819 3.865 6.106 1.00 4.43 H new ATOM 0 HG2 ARG B 185 22.012 1.546 5.999 1.00 4.00 H new ATOM 0 HG3 ARG B 185 20.433 1.269 6.709 1.00 4.00 H new ATOM 0 HD2 ARG B 185 20.133 0.710 4.444 1.00 3.44 H new ATOM 0 HD3 ARG B 185 19.450 2.319 4.570 1.00 3.44 H new ATOM 0 HE ARG B 185 22.004 2.905 3.830 1.00 3.76 H new ATOM 0 HH11 ARG B 185 19.693 0.517 2.624 1.00 3.10 H new ATOM 0 HH12 ARG B 185 20.306 0.589 0.969 1.00 3.10 H new ATOM 0 HH21 ARG B 185 22.787 2.987 1.703 1.00 4.24 H new ATOM 0 HH22 ARG B 185 22.052 1.983 0.450 1.00 4.24 H new ATOM 1546 N TYR B 186 18.566 3.564 8.581 1.00 5.30 N ATOM 1547 CA TYR B 186 17.290 3.051 9.074 1.00 5.40 C ATOM 1548 C TYR B 186 16.354 2.749 7.907 1.00 4.76 C ATOM 1549 O TYR B 186 15.253 2.224 8.088 1.00 4.97 O ATOM 1550 CB TYR B 186 16.637 4.057 10.029 1.00 6.21 C ATOM 1551 CG TYR B 186 16.397 5.421 9.417 1.00 6.50 C ATOM 1552 CD1 TYR B 186 15.230 5.693 8.714 1.00 6.39 C ATOM 1553 CD2 TYR B 186 17.338 6.433 9.542 1.00 7.04 C ATOM 1554 CE1 TYR B 186 15.009 6.935 8.153 1.00 6.82 C ATOM 1555 CE2 TYR B 186 17.123 7.676 8.983 1.00 7.46 C ATOM 1556 CZ TYR B 186 15.958 7.922 8.290 1.00 7.36 C ATOM 1557 OH TYR B 186 15.741 9.158 7.727 1.00 7.91 O ATOM 0 H TYR B 186 18.532 4.527 8.248 1.00 5.30 H new ATOM 0 HA TYR B 186 17.479 2.127 9.621 1.00 5.40 H new ATOM 0 HB2 TYR B 186 15.685 3.652 10.372 1.00 6.21 H new ATOM 0 HB3 TYR B 186 17.270 4.171 10.909 1.00 6.21 H new ATOM 0 HD1 TYR B 186 14.483 4.920 8.605 1.00 6.39 H new ATOM 0 HD2 TYR B 186 18.252 6.245 10.085 1.00 7.04 H new ATOM 0 HE1 TYR B 186 14.096 7.131 7.610 1.00 6.82 H new ATOM 0 HE2 TYR B 186 17.865 8.453 9.088 1.00 7.46 H new ATOM 0 HH TYR B 186 16.505 9.742 7.915 1.00 7.91 H new ATOM 1567 N HIS B 187 16.795 3.101 6.708 1.00 4.11 N ATOM 1568 CA HIS B 187 16.012 2.864 5.505 1.00 3.50 C ATOM 1569 C HIS B 187 16.143 1.413 5.070 1.00 2.93 C ATOM 1570 O HIS B 187 17.143 1.024 4.466 1.00 2.65 O ATOM 1571 CB HIS B 187 16.460 3.789 4.372 1.00 3.36 C ATOM 1572 CG HIS B 187 15.645 5.040 4.255 1.00 3.78 C ATOM 1573 ND1 HIS B 187 16.022 6.245 4.810 1.00 4.02 N ATOM 1574 CD2 HIS B 187 14.464 5.270 3.635 1.00 4.34 C ATOM 1575 CE1 HIS B 187 15.110 7.158 4.535 1.00 4.46 C ATOM 1576 NE2 HIS B 187 14.155 6.593 3.822 1.00 4.67 N ATOM 0 H HIS B 187 17.694 3.553 6.543 1.00 4.11 H new ATOM 0 HA HIS B 187 14.967 3.077 5.733 1.00 3.50 H new ATOM 0 HB2 HIS B 187 17.504 4.060 4.528 1.00 3.36 H new ATOM 0 HB3 HIS B 187 16.410 3.244 3.429 1.00 3.36 H new ATOM 0 HD2 HIS B 187 13.874 4.546 3.093 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.140 8.193 4.842 1.00 4.46 H new ATOM 0 HE2 HIS B 187 13.322 7.063 3.467 1.00 4.67 H new ATOM 1585 N ARG B 188 15.149 0.613 5.414 1.00 2.96 N ATOM 1586 CA ARG B 188 15.144 -0.795 5.053 1.00 2.79 C ATOM 1587 C ARG B 188 14.823 -0.951 3.569 1.00 2.14 C ATOM 1588 O ARG B 188 14.018 -0.191 3.024 1.00 1.99 O ATOM 1589 CB ARG B 188 14.130 -1.562 5.923 1.00 3.34 C ATOM 1590 CG ARG B 188 12.903 -2.078 5.171 1.00 3.55 C ATOM 1591 CD ARG B 188 11.606 -1.766 5.907 1.00 3.79 C ATOM 1592 NE ARG B 188 11.432 -0.327 6.122 1.00 3.55 N ATOM 1593 CZ ARG B 188 10.760 0.484 5.297 1.00 3.89 C ATOM 1594 NH1 ARG B 188 10.170 0.005 4.203 1.00 4.48 N ATOM 1595 NH2 ARG B 188 10.670 1.780 5.567 1.00 4.04 N ATOM 0 H ARG B 188 14.332 0.915 5.945 1.00 2.96 H new ATOM 0 HA ARG B 188 16.133 -1.216 5.235 1.00 2.79 H new ATOM 0 HB2 ARG B 188 14.637 -2.408 6.387 1.00 3.34 H new ATOM 0 HB3 ARG B 188 13.797 -0.909 6.729 1.00 3.34 H new ATOM 0 HG2 ARG B 188 12.872 -1.630 4.178 1.00 3.55 H new ATOM 0 HG3 ARG B 188 12.990 -3.156 5.032 1.00 3.55 H new ATOM 0 HD2 ARG B 188 10.762 -2.152 5.335 1.00 3.79 H new ATOM 0 HD3 ARG B 188 11.601 -2.280 6.868 1.00 3.79 H new ATOM 0 HE ARG B 188 11.851 0.084 6.956 1.00 3.55 H new ATOM 0 HH11 ARG B 188 10.228 -0.990 3.987 1.00 4.48 H new ATOM 0 HH12 ARG B 188 9.660 0.633 3.582 1.00 4.48 H new ATOM 0 HH21 ARG B 188 11.113 2.159 6.404 1.00 4.04 H new ATOM 0 HH22 ARG B 188 10.158 2.398 4.938 1.00 4.04 H new ATOM 1609 N ARG B 189 15.482 -1.911 2.922 1.00 2.02 N ATOM 1610 CA ARG B 189 15.265 -2.197 1.504 1.00 1.77 C ATOM 1611 C ARG B 189 15.651 -1.012 0.622 1.00 1.33 C ATOM 1612 O ARG B 189 14.945 -0.660 -0.322 1.00 1.67 O ATOM 1613 CB ARG B 189 13.810 -2.598 1.261 1.00 2.37 C ATOM 1614 CG ARG B 189 13.430 -3.894 1.949 1.00 3.12 C ATOM 1615 CD ARG B 189 11.936 -4.139 1.902 1.00 3.82 C ATOM 1616 NE ARG B 189 11.609 -5.480 2.374 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.561 -5.778 3.134 1.00 4.83 C ATOM 1618 NH1 ARG B 189 9.699 -4.835 3.489 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.379 -7.024 3.545 1.00 5.48 N ATOM 0 H ARG B 189 16.179 -2.511 3.364 1.00 2.02 H new ATOM 0 HA ARG B 189 15.912 -3.030 1.230 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.156 -1.801 1.613 1.00 2.37 H new ATOM 0 HB3 ARG B 189 13.641 -2.699 0.189 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.950 -4.725 1.472 1.00 3.12 H new ATOM 0 HG3 ARG B 189 13.761 -3.865 2.987 1.00 3.12 H new ATOM 0 HD2 ARG B 189 11.423 -3.399 2.516 1.00 3.82 H new ATOM 0 HD3 ARG B 189 11.575 -4.011 0.881 1.00 3.82 H new ATOM 0 HE ARG B 189 12.229 -6.243 2.101 1.00 4.33 H new ATOM 0 HH11 ARG B 189 9.838 -3.874 3.178 1.00 4.91 H new ATOM 0 HH12 ARG B 189 8.897 -5.071 4.073 1.00 4.91 H new ATOM 0 HH21 ARG B 189 11.042 -7.751 3.278 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.575 -7.256 4.129 1.00 5.48 H new ATOM 1633 N GLY B 190 16.784 -0.404 0.936 1.00 1.17 N ATOM 1634 CA GLY B 190 17.262 0.720 0.154 1.00 1.54 C ATOM 1635 C GLY B 190 18.356 0.288 -0.800 1.00 1.70 C ATOM 1636 O GLY B 190 19.489 0.766 -0.719 1.00 1.97 O ATOM 0 H GLY B 190 17.383 -0.668 1.719 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.435 1.155 -0.407 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.640 1.497 0.819 1.00 1.54 H new ATOM 1640 N GLY B 191 18.021 -0.638 -1.687 1.00 1.91 N ATOM 1641 CA GLY B 191 18.990 -1.154 -2.637 1.00 2.36 C ATOM 1642 C GLY B 191 19.575 -2.461 -2.150 1.00 2.17 C ATOM 1643 O GLY B 191 19.940 -3.331 -2.941 1.00 2.71 O ATOM 0 H GLY B 191 17.089 -1.045 -1.767 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.513 -1.302 -3.606 1.00 2.36 H new ATOM 0 HA3 GLY B 191 19.787 -0.425 -2.782 1.00 2.36 H new ATOM 1647 N TYR B 192 19.634 -2.584 -0.832 1.00 1.71 N ATOM 1648 CA TYR B 192 20.158 -3.760 -0.153 1.00 1.86 C ATOM 1649 C TYR B 192 19.379 -3.943 1.145 1.00 1.87 C ATOM 1650 O TYR B 192 18.220 -3.531 1.236 1.00 2.21 O ATOM 1651 CB TYR B 192 21.653 -3.572 0.146 1.00 1.91 C ATOM 1652 CG TYR B 192 22.585 -4.374 -0.738 1.00 2.45 C ATOM 1653 CD1 TYR B 192 22.692 -4.102 -2.093 1.00 2.95 C ATOM 1654 CD2 TYR B 192 23.382 -5.385 -0.209 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.562 -4.807 -2.899 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.254 -6.098 -1.008 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.341 -5.804 -2.353 1.00 3.77 C ATOM 1658 OH TYR B 192 25.215 -6.506 -3.153 1.00 4.48 O ATOM 0 H TYR B 192 19.313 -1.856 -0.193 1.00 1.71 H new ATOM 0 HA TYR B 192 20.047 -4.642 -0.784 1.00 1.86 H new ATOM 0 HB2 TYR B 192 21.899 -2.515 0.044 1.00 1.91 H new ATOM 0 HB3 TYR B 192 21.838 -3.844 1.185 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.082 -3.323 -2.526 1.00 2.95 H new ATOM 0 HD2 TYR B 192 23.317 -5.616 0.844 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.632 -4.579 -3.952 1.00 3.62 H new ATOM 0 HE2 TYR B 192 24.864 -6.881 -0.582 1.00 3.41 H new ATOM 0 HH TYR B 192 25.689 -7.172 -2.613 1.00 4.48 H new ATOM 1668 N ASP B 193 20.009 -4.533 2.150 1.00 2.08 N ATOM 1669 CA ASP B 193 19.360 -4.735 3.441 1.00 2.57 C ATOM 1670 C ASP B 193 19.258 -3.400 4.197 1.00 2.39 C ATOM 1671 O ASP B 193 19.147 -2.335 3.586 1.00 2.59 O ATOM 1672 CB ASP B 193 20.137 -5.772 4.263 1.00 3.18 C ATOM 1673 CG ASP B 193 19.284 -6.406 5.341 1.00 3.84 C ATOM 1674 OD1 ASP B 193 18.531 -7.351 5.034 1.00 4.22 O ATOM 1675 OD2 ASP B 193 19.351 -5.950 6.502 1.00 4.14 O ATOM 0 H ASP B 193 20.967 -4.880 2.099 1.00 2.08 H new ATOM 0 HA ASP B 193 18.350 -5.113 3.278 1.00 2.57 H new ATOM 0 HB2 ASP B 193 20.516 -6.549 3.599 1.00 3.18 H new ATOM 0 HB3 ASP B 193 21.003 -5.294 4.722 1.00 3.18 H new ATOM 1680 N VAL B 194 19.311 -3.446 5.516 1.00 2.39 N ATOM 1681 CA VAL B 194 19.209 -2.239 6.323 1.00 2.62 C ATOM 1682 C VAL B 194 20.594 -1.606 6.549 1.00 2.80 C ATOM 1683 O VAL B 194 20.815 -0.866 7.509 1.00 3.15 O ATOM 1684 CB VAL B 194 18.508 -2.547 7.669 1.00 3.43 C ATOM 1685 CG1 VAL B 194 19.436 -3.275 8.632 1.00 3.97 C ATOM 1686 CG2 VAL B 194 17.943 -1.282 8.298 1.00 3.78 C ATOM 0 H VAL B 194 19.424 -4.306 6.053 1.00 2.39 H new ATOM 0 HA VAL B 194 18.602 -1.514 5.781 1.00 2.62 H new ATOM 0 HB VAL B 194 17.673 -3.214 7.456 1.00 3.43 H new ATOM 0 HG11 VAL B 194 18.909 -3.474 9.565 1.00 3.97 H new ATOM 0 HG12 VAL B 194 19.755 -4.218 8.187 1.00 3.97 H new ATOM 0 HG13 VAL B 194 20.310 -2.655 8.834 1.00 3.97 H new ATOM 0 HG21 VAL B 194 17.457 -1.531 9.242 1.00 3.78 H new ATOM 0 HG22 VAL B 194 18.752 -0.574 8.482 1.00 3.78 H new ATOM 0 HG23 VAL B 194 17.215 -0.833 7.622 1.00 3.78 H new ATOM 1696 N GLU B 195 21.516 -1.874 5.633 1.00 2.75 N ATOM 1697 CA GLU B 195 22.867 -1.338 5.732 1.00 3.12 C ATOM 1698 C GLU B 195 23.306 -0.729 4.400 1.00 2.88 C ATOM 1699 O GLU B 195 22.770 -1.071 3.343 1.00 2.39 O ATOM 1700 CB GLU B 195 23.841 -2.436 6.179 1.00 3.40 C ATOM 1701 CG GLU B 195 25.161 -1.907 6.728 1.00 4.16 C ATOM 1702 CD GLU B 195 24.988 -0.653 7.560 1.00 4.65 C ATOM 1703 OE1 GLU B 195 24.749 -0.765 8.775 1.00 5.02 O ATOM 1704 OE2 GLU B 195 25.084 0.451 6.991 1.00 4.87 O ATOM 0 H GLU B 195 21.353 -2.459 4.814 1.00 2.75 H new ATOM 0 HA GLU B 195 22.873 -0.546 6.481 1.00 3.12 H new ATOM 0 HB2 GLU B 195 23.359 -3.046 6.944 1.00 3.40 H new ATOM 0 HB3 GLU B 195 24.048 -3.091 5.333 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.632 -2.679 7.336 1.00 4.16 H new ATOM 0 HG3 GLU B 195 25.837 -1.697 5.899 1.00 4.16 H new ATOM 1711 N ASN B 196 24.280 0.175 4.467 1.00 3.43 N ATOM 1712 CA ASN B 196 24.800 0.856 3.283 1.00 3.64 C ATOM 1713 C ASN B 196 25.675 -0.065 2.446 1.00 3.41 C ATOM 1714 O ASN B 196 25.946 0.229 1.283 1.00 3.56 O ATOM 1715 CB ASN B 196 25.616 2.083 3.688 1.00 4.47 C ATOM 1716 CG ASN B 196 24.950 3.390 3.301 1.00 4.94 C ATOM 1717 OD1 ASN B 196 23.730 3.534 3.382 1.00 5.26 O ATOM 1718 ND2 ASN B 196 25.746 4.350 2.856 1.00 5.14 N ATOM 0 H ASN B 196 24.730 0.456 5.339 1.00 3.43 H new ATOM 0 HA ASN B 196 23.942 1.162 2.685 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.775 2.068 4.766 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.599 2.030 3.220 1.00 4.47 H new ATOM 0 HD21 ASN B 196 25.353 5.245 2.566 1.00 5.14 H new ATOM 0 HD22 ASN B 196 26.753 4.194 2.803 1.00 5.14 H new ATOM 1725 N GLU B 197 26.098 -1.178 3.060 1.00 3.29 N ATOM 1726 CA GLU B 197 26.954 -2.203 2.431 1.00 3.26 C ATOM 1727 C GLU B 197 28.131 -1.606 1.643 1.00 3.82 C ATOM 1728 O GLU B 197 28.505 -0.448 1.842 1.00 4.30 O ATOM 1729 CB GLU B 197 26.132 -3.182 1.566 1.00 2.93 C ATOM 1730 CG GLU B 197 25.113 -2.540 0.635 1.00 3.10 C ATOM 1731 CD GLU B 197 25.664 -2.239 -0.745 1.00 3.38 C ATOM 1732 OE1 GLU B 197 26.483 -3.032 -1.250 1.00 3.60 O ATOM 1733 OE2 GLU B 197 25.262 -1.214 -1.336 1.00 3.83 O ATOM 0 H GLU B 197 25.853 -1.399 4.025 1.00 3.29 H new ATOM 0 HA GLU B 197 27.393 -2.771 3.251 1.00 3.26 H new ATOM 0 HB2 GLU B 197 26.822 -3.776 0.966 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.609 -3.872 2.228 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.253 -3.202 0.538 1.00 3.10 H new ATOM 0 HG3 GLU B 197 24.754 -1.614 1.085 1.00 3.10 H new ATOM 1740 N GLU B 198 28.734 -2.413 0.770 1.00 3.91 N ATOM 1741 CA GLU B 198 29.878 -1.965 -0.016 1.00 4.52 C ATOM 1742 C GLU B 198 30.133 -2.902 -1.197 1.00 4.64 C ATOM 1743 O GLU B 198 31.254 -3.386 -1.393 1.00 5.16 O ATOM 1744 CB GLU B 198 31.120 -1.898 0.881 1.00 4.90 C ATOM 1745 CG GLU B 198 31.976 -0.659 0.667 1.00 5.36 C ATOM 1746 CD GLU B 198 32.817 -0.745 -0.584 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.888 -1.389 -0.542 1.00 6.25 O ATOM 1748 OE2 GLU B 198 32.413 -0.181 -1.622 1.00 6.45 O ATOM 0 H GLU B 198 28.449 -3.376 0.591 1.00 3.91 H new ATOM 0 HA GLU B 198 29.660 -0.974 -0.414 1.00 4.52 H new ATOM 0 HB2 GLU B 198 30.804 -1.932 1.924 1.00 4.90 H new ATOM 0 HB3 GLU B 198 31.731 -2.783 0.704 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.331 0.218 0.608 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.627 -0.518 1.530 1.00 5.36 H new ATOM 1755 N LYS B 199 29.094 -3.177 -1.973 1.00 4.32 N ATOM 1756 CA LYS B 199 29.233 -4.047 -3.135 1.00 4.64 C ATOM 1757 C LYS B 199 28.265 -3.655 -4.245 1.00 4.89 C ATOM 1758 O LYS B 199 28.672 -3.488 -5.397 1.00 5.53 O ATOM 1759 CB LYS B 199 29.014 -5.507 -2.737 1.00 4.38 C ATOM 1760 CG LYS B 199 30.193 -6.405 -3.073 1.00 4.54 C ATOM 1761 CD LYS B 199 30.441 -7.439 -1.985 1.00 4.53 C ATOM 1762 CE LYS B 199 31.029 -6.807 -0.732 1.00 4.41 C ATOM 1763 NZ LYS B 199 32.269 -6.038 -1.024 1.00 4.56 N ATOM 0 H LYS B 199 28.153 -2.814 -1.822 1.00 4.32 H new ATOM 0 HA LYS B 199 30.247 -3.930 -3.517 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.820 -5.559 -1.666 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.124 -5.884 -3.241 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.007 -6.911 -4.020 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.087 -5.796 -3.207 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.504 -7.937 -1.736 1.00 4.53 H new ATOM 0 HD3 LYS B 199 31.120 -8.205 -2.359 1.00 4.53 H new ATOM 0 HE2 LYS B 199 30.291 -6.145 -0.279 1.00 4.41 H new ATOM 0 HE3 LYS B 199 31.249 -7.586 -0.002 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.923 -6.115 -0.219 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 32.723 -6.422 -1.877 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 32.029 -5.038 -1.180 1.00 4.56 H new ATOM 1777 N VAL B 200 26.992 -3.486 -3.887 1.00 4.46 N ATOM 1778 CA VAL B 200 25.944 -3.116 -4.841 1.00 4.74 C ATOM 1779 C VAL B 200 25.897 -4.076 -6.033 1.00 5.32 C ATOM 1780 O VAL B 200 26.202 -3.693 -7.165 1.00 5.99 O ATOM 1781 CB VAL B 200 26.123 -1.669 -5.365 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.858 -1.181 -6.052 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.520 -0.721 -4.239 1.00 4.96 C ATOM 0 H VAL B 200 26.658 -3.601 -2.930 1.00 4.46 H new ATOM 0 HA VAL B 200 25.003 -3.180 -4.294 1.00 4.74 H new ATOM 0 HB VAL B 200 26.930 -1.679 -6.098 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.009 -0.163 -6.411 1.00 5.43 H new ATOM 0 HG12 VAL B 200 24.627 -1.833 -6.895 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.030 -1.197 -5.343 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.638 0.287 -4.637 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.744 -0.720 -3.474 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.462 -1.051 -3.801 1.00 4.96 H new ATOM 1793 N LYS B 201 25.531 -5.329 -5.784 1.00 5.18 N ATOM 1794 CA LYS B 201 25.448 -6.309 -6.864 1.00 5.84 C ATOM 1795 C LYS B 201 24.369 -7.356 -6.596 1.00 5.78 C ATOM 1796 O LYS B 201 24.258 -8.338 -7.326 1.00 6.37 O ATOM 1797 CB LYS B 201 26.804 -6.988 -7.086 1.00 6.17 C ATOM 1798 CG LYS B 201 27.302 -7.798 -5.900 1.00 5.81 C ATOM 1799 CD LYS B 201 28.811 -7.971 -5.942 1.00 6.12 C ATOM 1800 CE LYS B 201 29.265 -8.724 -7.185 1.00 6.82 C ATOM 1801 NZ LYS B 201 29.137 -10.196 -7.022 1.00 7.02 N ATOM 0 H LYS B 201 25.290 -5.687 -4.860 1.00 5.18 H new ATOM 0 HA LYS B 201 25.171 -5.770 -7.770 1.00 5.84 H new ATOM 0 HB2 LYS B 201 26.731 -7.644 -7.953 1.00 6.17 H new ATOM 0 HB3 LYS B 201 27.544 -6.225 -7.326 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.017 -7.301 -4.973 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.822 -8.777 -5.898 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.289 -6.992 -5.917 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.139 -8.509 -5.052 1.00 6.12 H new ATOM 0 HE2 LYS B 201 28.673 -8.401 -8.041 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.303 -8.472 -7.403 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 29.456 -10.671 -7.891 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 29.722 -10.509 -6.221 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 28.143 -10.440 -6.840 1.00 7.02 H new ATOM 1815 N LEU B 202 23.577 -7.147 -5.558 1.00 5.18 N ATOM 1816 CA LEU B 202 22.511 -8.079 -5.218 1.00 5.23 C ATOM 1817 C LEU B 202 21.159 -7.383 -5.273 1.00 4.95 C ATOM 1818 O LEU B 202 20.755 -6.713 -4.324 1.00 4.37 O ATOM 1819 CB LEU B 202 22.738 -8.679 -3.827 1.00 4.91 C ATOM 1820 CG LEU B 202 24.018 -9.507 -3.671 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.217 -9.900 -2.215 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.971 -10.745 -4.558 1.00 6.12 C ATOM 0 H LEU B 202 23.650 -6.342 -4.936 1.00 5.18 H new ATOM 0 HA LEU B 202 22.521 -8.887 -5.949 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.759 -7.868 -3.099 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.885 -9.310 -3.578 1.00 4.91 H new ATOM 0 HG LEU B 202 24.864 -8.896 -3.985 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.130 -10.488 -2.118 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.298 -9.001 -1.603 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.366 -10.493 -1.879 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.889 -11.318 -4.432 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.117 -11.361 -4.277 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.873 -10.442 -5.600 1.00 6.12 H new ATOM 1834 N GLY B 203 20.462 -7.551 -6.386 1.00 5.44 N ATOM 1835 CA GLY B 203 19.164 -6.927 -6.551 1.00 5.30 C ATOM 1836 C GLY B 203 18.055 -7.696 -5.857 1.00 5.32 C ATOM 1837 O GLY B 203 16.911 -7.244 -5.813 1.00 5.33 O ATOM 0 H GLY B 203 20.772 -8.110 -7.181 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.200 -5.912 -6.155 1.00 5.30 H new ATOM 0 HA3 GLY B 203 18.936 -6.847 -7.614 1.00 5.30 H new ATOM 1841 N MET B 204 18.400 -8.852 -5.303 1.00 5.45 N ATOM 1842 CA MET B 204 17.435 -9.699 -4.606 1.00 5.69 C ATOM 1843 C MET B 204 16.781 -8.958 -3.437 1.00 5.11 C ATOM 1844 O MET B 204 15.578 -9.074 -3.217 1.00 5.36 O ATOM 1845 CB MET B 204 18.110 -10.984 -4.108 1.00 6.02 C ATOM 1846 CG MET B 204 19.337 -10.739 -3.240 1.00 5.50 C ATOM 1847 SD MET B 204 20.010 -12.250 -2.524 1.00 6.01 S ATOM 1848 CE MET B 204 20.613 -13.088 -3.988 1.00 6.67 C ATOM 0 H MET B 204 19.348 -9.228 -5.323 1.00 5.45 H new ATOM 0 HA MET B 204 16.652 -9.962 -5.317 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.385 -11.567 -3.540 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.400 -11.587 -4.968 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.107 -10.254 -3.839 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.075 -10.049 -2.438 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.377 -13.812 -3.704 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.787 -13.604 -4.478 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.043 -12.358 -4.674 1.00 6.67 H new ATOM 1858 N THR B 205 17.575 -8.189 -2.706 1.00 4.40 N ATOM 1859 CA THR B 205 17.075 -7.435 -1.567 1.00 3.86 C ATOM 1860 C THR B 205 17.043 -5.942 -1.878 1.00 3.22 C ATOM 1861 O THR B 205 17.051 -5.109 -0.977 1.00 2.61 O ATOM 1862 CB THR B 205 17.957 -7.681 -0.327 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.259 -8.123 -0.739 1.00 3.95 O ATOM 1864 CG2 THR B 205 17.332 -8.723 0.587 1.00 4.16 C ATOM 0 H THR B 205 18.573 -8.071 -2.883 1.00 4.40 H new ATOM 0 HA THR B 205 16.061 -7.776 -1.360 1.00 3.86 H new ATOM 0 HB THR B 205 18.043 -6.744 0.224 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.818 -8.277 0.051 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.974 -8.878 1.454 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.353 -8.377 0.918 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.221 -9.662 0.045 1.00 4.16 H new ATOM 1872 N ASN B 206 16.992 -5.612 -3.168 1.00 3.55 N ATOM 1873 CA ASN B 206 16.972 -4.217 -3.605 1.00 3.31 C ATOM 1874 C ASN B 206 15.778 -3.471 -3.027 1.00 3.04 C ATOM 1875 O ASN B 206 15.889 -2.315 -2.627 1.00 2.62 O ATOM 1876 CB ASN B 206 16.945 -4.134 -5.131 1.00 4.07 C ATOM 1877 CG ASN B 206 17.155 -2.722 -5.647 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.198 -1.995 -5.922 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.411 -2.323 -5.776 1.00 4.21 N ATOM 0 H ASN B 206 16.964 -6.291 -3.928 1.00 3.55 H new ATOM 0 HA ASN B 206 17.882 -3.744 -3.236 1.00 3.31 H new ATOM 0 HB2 ASN B 206 17.719 -4.784 -5.539 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.988 -4.510 -5.494 1.00 4.07 H new ATOM 0 HD21 ASN B 206 18.615 -1.383 -6.114 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.174 -2.956 -5.537 1.00 4.21 H new ATOM 1886 N SER B 207 14.631 -4.128 -3.003 1.00 3.47 N ATOM 1887 CA SER B 207 13.424 -3.524 -2.463 1.00 3.42 C ATOM 1888 C SER B 207 12.528 -4.584 -1.833 1.00 3.82 C ATOM 1889 O SER B 207 11.342 -4.362 -1.628 1.00 4.01 O ATOM 1890 CB SER B 207 12.664 -2.778 -3.563 1.00 3.85 C ATOM 1891 OG SER B 207 13.507 -1.858 -4.241 1.00 3.99 O ATOM 0 H SER B 207 14.510 -5.079 -3.351 1.00 3.47 H new ATOM 0 HA SER B 207 13.714 -2.812 -1.690 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.256 -3.494 -4.276 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.818 -2.246 -3.127 1.00 3.85 H new ATOM 0 HG SER B 207 12.995 -1.398 -4.938 1.00 3.99 H new ATOM 1897 N HIS B 208 13.106 -5.733 -1.519 1.00 4.12 N ATOM 1898 CA HIS B 208 12.354 -6.826 -0.919 1.00 4.71 C ATOM 1899 C HIS B 208 13.232 -7.578 0.063 1.00 4.82 C ATOM 1900 O HIS B 208 13.089 -7.350 1.275 1.00 5.20 O ATOM 1901 CB HIS B 208 11.831 -7.787 -1.996 1.00 5.42 C ATOM 1902 CG HIS B 208 10.882 -8.827 -1.471 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.295 -9.981 -0.839 1.00 6.30 N ATOM 1904 CD2 HIS B 208 9.530 -8.883 -1.497 1.00 6.75 C ATOM 1905 CE1 HIS B 208 10.238 -10.695 -0.499 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.155 -10.053 -0.885 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.064 -8.383 -0.389 1.00 4.71 O ATOM 0 H HIS B 208 14.095 -5.934 -1.670 1.00 4.12 H new ATOM 0 HA HIS B 208 11.499 -6.405 -0.391 1.00 4.71 H new ATOM 0 HB2 HIS B 208 11.329 -7.209 -2.772 1.00 5.42 H new ATOM 0 HB3 HIS B 208 12.678 -8.286 -2.467 1.00 5.42 H new ATOM 0 HD2 HIS B 208 8.868 -8.143 -1.921 1.00 6.75 H new ATOM 0 HE1 HIS B 208 10.258 -11.647 0.011 1.00 6.95 H new ATOM 0 HE2 HIS B 208 8.196 -10.372 -0.751 1.00 7.22 H new TER 1916 HIS B 208