USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=33 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= -0.353 X(o=-0.22,f=-0.0065) USER MOD Set 1.2: B 207 SER OG : rot 78:sc= 0.135 USER MOD Set 2.1: A 55 THR OG1 : rot -103:sc= 1.01 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -174:sc= 2.24 (180deg=1.09) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -142:sc= 0.468 (180deg=0.851) USER MOD Set 3.2: A 9 GLN : amide:sc= 1.04 K(o=-0.31,f=-7.8!) USER MOD Set 3.3: A 85 ASN : amide:sc= -1.81! C(o=-0.31!,f=-3.9!) USER MOD Set 4.1: A 84 GLN : amide:sc=-0.00117 K(o=1.8,f=-0.41) USER MOD Set 4.2: A 87 CYS SG : rot 82:sc= 1.83 USER MOD Set 5.1: A 69 LYS NZ :NH3+ 135:sc= 1.13 (180deg=-0.297) USER MOD Set 5.2: A 76 THR OG1 : rot -150:sc= -1.53 USER MOD Set 6.1: A 39 ASN : amide:sc= 0.506 K(o=1.3,f=-4.5!) USER MOD Set 6.2: A 40 SER OG : rot 69:sc= 0.819 USER MOD Set 7.1: A 26 ASN : amide:sc= -0.14 K(o=0.024,f=-2.7) USER MOD Set 7.2: B 208 HIS : no HE2:sc= 0.164 K(o=0.024,f=-3.6) USER MOD Set 8.1: A 24 HIS : +bothHN:sc= 2.5 K(o=2.5,f=-9.4!) USER MOD Set 8.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 9.1: A 10 THR OG1 : rot 141:sc= 0.147 USER MOD Set 9.2: A 19 SER OG : rot 161:sc= -1.95! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.056 (180deg=-0.411) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0.114 USER MOD Single : A 34 THR OG1 : rot 83:sc= 0.176 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.68) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.151 F(o=-2.9!,f=-0.15) USER MOD Single : A 62 GLN :FLIP amide:sc= -2.64! C(o=-3.2!,f=-2.6!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0115) USER MOD Single : A 67 LYS NZ :NH3+ 142:sc= 2.47 (180deg=1.45) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0917 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.02 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.191 F(o=-1.1,f=-0.19) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HD1:sc= 1 K(o=1,f=-4.7!) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= 0.00418 X(o=0.0042,f=-0.19) USER MOD Single : B 199 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0987) USER MOD Single : B 201 LYS NZ :NH3+ -164:sc= -0.0594 (180deg=-0.298) USER MOD Single : B 204 MET CE :methyl -119:sc= -0.0899 (180deg=-0.902) USER MOD Single : B 205 THR OG1 : rot -160:sc= -1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.091 -14.521 -10.621 1.00 1.79 N ATOM 2 CA MET A 1 -4.685 -13.295 -9.889 1.00 1.50 C ATOM 3 C MET A 1 -5.816 -12.269 -9.889 1.00 1.45 C ATOM 4 O MET A 1 -5.581 -11.062 -9.817 1.00 2.06 O ATOM 5 CB MET A 1 -3.423 -12.691 -10.517 1.00 1.78 C ATOM 6 CG MET A 1 -3.581 -12.318 -11.983 1.00 2.07 C ATOM 7 SD MET A 1 -2.077 -11.624 -12.695 1.00 2.89 S ATOM 8 CE MET A 1 -2.486 -11.659 -14.439 1.00 2.97 C ATOM 0 H1 MET A 1 -4.251 -15.102 -10.817 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.761 -15.065 -10.041 1.00 1.79 H new ATOM 0 H3 MET A 1 -5.545 -14.255 -11.518 1.00 1.79 H new ATOM 0 HA MET A 1 -4.466 -13.569 -8.857 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.140 -11.801 -9.955 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.604 -13.404 -10.420 1.00 1.78 H new ATOM 0 HG2 MET A 1 -3.870 -13.203 -12.549 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.392 -11.596 -12.084 1.00 2.07 H new ATOM 0 HE1 MET A 1 -1.652 -11.260 -15.016 1.00 2.97 H new ATOM 0 HE2 MET A 1 -2.681 -12.686 -14.746 1.00 2.97 H new ATOM 0 HE3 MET A 1 -3.374 -11.052 -14.617 1.00 2.97 H new ATOM 20 N ALA A 2 -7.049 -12.754 -9.961 1.00 1.41 N ATOM 21 CA ALA A 2 -8.209 -11.882 -9.976 1.00 1.47 C ATOM 22 C ALA A 2 -8.678 -11.571 -8.560 1.00 1.31 C ATOM 23 O ALA A 2 -9.641 -12.168 -8.068 1.00 1.40 O ATOM 24 CB ALA A 2 -9.336 -12.511 -10.780 1.00 1.83 C ATOM 0 H ALA A 2 -7.268 -13.749 -10.010 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.920 -10.945 -10.451 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -10.198 -11.844 -10.781 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -9.004 -12.676 -11.805 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -9.615 -13.464 -10.331 1.00 1.83 H new ATOM 30 N LYS A 3 -7.981 -10.653 -7.896 1.00 1.21 N ATOM 31 CA LYS A 3 -8.346 -10.255 -6.542 1.00 1.10 C ATOM 32 C LYS A 3 -9.576 -9.357 -6.599 1.00 1.05 C ATOM 33 O LYS A 3 -9.478 -8.128 -6.612 1.00 1.21 O ATOM 34 CB LYS A 3 -7.186 -9.539 -5.834 1.00 1.11 C ATOM 35 CG LYS A 3 -7.521 -9.074 -4.422 1.00 1.22 C ATOM 36 CD LYS A 3 -6.289 -8.590 -3.678 1.00 1.18 C ATOM 37 CE LYS A 3 -6.659 -7.753 -2.461 1.00 1.23 C ATOM 38 NZ LYS A 3 -7.411 -8.531 -1.441 1.00 1.47 N ATOM 0 H LYS A 3 -7.164 -10.173 -8.273 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.573 -11.150 -5.964 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.328 -10.211 -5.792 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.886 -8.676 -6.429 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -8.256 -8.270 -4.469 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -7.980 -9.894 -3.869 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.694 -9.447 -3.363 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.666 -8.000 -4.350 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.751 -7.352 -2.010 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.260 -6.901 -2.779 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -8.147 -7.930 -1.019 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.854 -9.357 -1.892 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -6.758 -8.851 -0.698 1.00 1.47 H new ATOM 52 N THR A 4 -10.733 -9.987 -6.691 1.00 1.06 N ATOM 53 CA THR A 4 -11.993 -9.276 -6.763 1.00 1.06 C ATOM 54 C THR A 4 -13.103 -10.118 -6.147 1.00 1.13 C ATOM 55 O THR A 4 -13.747 -9.711 -5.178 1.00 1.27 O ATOM 56 CB THR A 4 -12.354 -8.935 -8.225 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.273 -8.217 -8.838 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.629 -8.105 -8.299 1.00 1.23 C ATOM 0 H THR A 4 -10.824 -11.003 -6.718 1.00 1.06 H new ATOM 0 HA THR A 4 -11.888 -8.345 -6.206 1.00 1.06 H new ATOM 0 HB THR A 4 -12.524 -9.870 -8.759 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.506 -8.004 -9.766 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.857 -7.881 -9.341 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.454 -8.665 -7.859 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.489 -7.174 -7.750 1.00 1.23 H new ATOM 66 N GLU A 5 -13.295 -11.312 -6.697 1.00 1.20 N ATOM 67 CA GLU A 5 -14.324 -12.216 -6.213 1.00 1.33 C ATOM 68 C GLU A 5 -13.814 -13.037 -5.037 1.00 1.31 C ATOM 69 O GLU A 5 -13.596 -14.246 -5.150 1.00 1.58 O ATOM 70 CB GLU A 5 -14.791 -13.136 -7.341 1.00 1.56 C ATOM 71 CG GLU A 5 -16.235 -12.905 -7.754 1.00 1.73 C ATOM 72 CD GLU A 5 -17.218 -13.308 -6.677 1.00 1.94 C ATOM 73 OE1 GLU A 5 -17.454 -14.522 -6.511 1.00 2.37 O ATOM 74 OE2 GLU A 5 -17.761 -12.416 -5.993 1.00 2.15 O ATOM 0 H GLU A 5 -12.749 -11.674 -7.479 1.00 1.20 H new ATOM 0 HA GLU A 5 -15.170 -11.621 -5.871 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -14.146 -12.991 -8.208 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.673 -14.173 -7.026 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -16.376 -11.851 -7.994 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -16.444 -13.470 -8.662 1.00 1.73 H new ATOM 81 N GLU A 6 -13.600 -12.370 -3.915 1.00 1.20 N ATOM 82 CA GLU A 6 -13.126 -13.034 -2.708 1.00 1.19 C ATOM 83 C GLU A 6 -13.933 -12.564 -1.503 1.00 1.14 C ATOM 84 O GLU A 6 -14.730 -13.318 -0.944 1.00 1.26 O ATOM 85 CB GLU A 6 -11.633 -12.757 -2.476 1.00 1.16 C ATOM 86 CG GLU A 6 -10.747 -13.038 -3.684 1.00 1.41 C ATOM 87 CD GLU A 6 -9.278 -12.801 -3.394 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.872 -11.629 -3.282 1.00 1.64 O ATOM 89 OE2 GLU A 6 -8.525 -13.787 -3.273 1.00 1.83 O ATOM 0 H GLU A 6 -13.747 -11.366 -3.813 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.259 -14.108 -2.836 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.510 -11.714 -2.185 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.289 -13.364 -1.639 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.889 -14.071 -4.002 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -11.057 -12.403 -4.514 1.00 1.41 H new ATOM 96 N MET A 7 -13.713 -11.306 -1.117 1.00 1.05 N ATOM 97 CA MET A 7 -14.401 -10.689 0.024 1.00 1.09 C ATOM 98 C MET A 7 -14.083 -11.419 1.331 1.00 1.12 C ATOM 99 O MET A 7 -14.770 -11.249 2.333 1.00 1.32 O ATOM 100 CB MET A 7 -15.917 -10.647 -0.209 1.00 1.22 C ATOM 101 CG MET A 7 -16.603 -9.445 0.424 1.00 1.44 C ATOM 102 SD MET A 7 -18.403 -9.515 0.290 1.00 1.75 S ATOM 103 CE MET A 7 -18.802 -10.566 1.687 1.00 2.16 C ATOM 0 H MET A 7 -13.053 -10.684 -1.585 1.00 1.05 H new ATOM 0 HA MET A 7 -14.035 -9.666 0.112 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.110 -10.640 -1.282 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.362 -11.559 0.189 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.324 -9.385 1.476 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.243 -8.534 -0.054 1.00 1.44 H new ATOM 0 HE1 MET A 7 -19.882 -10.705 1.741 1.00 2.16 H new ATOM 0 HE2 MET A 7 -18.317 -11.534 1.564 1.00 2.16 H new ATOM 0 HE3 MET A 7 -18.450 -10.098 2.606 1.00 2.16 H new ATOM 113 N VAL A 8 -13.032 -12.230 1.312 1.00 1.13 N ATOM 114 CA VAL A 8 -12.622 -12.976 2.494 1.00 1.22 C ATOM 115 C VAL A 8 -11.142 -12.749 2.792 1.00 1.14 C ATOM 116 O VAL A 8 -10.289 -13.575 2.474 1.00 1.34 O ATOM 117 CB VAL A 8 -12.900 -14.491 2.357 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.343 -14.799 2.719 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.585 -14.984 0.951 1.00 1.49 C ATOM 0 H VAL A 8 -12.448 -12.387 0.490 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.220 -12.600 3.324 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.245 -15.018 3.051 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.523 -15.869 2.618 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.533 -14.495 3.748 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -15.010 -14.254 2.051 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.790 -16.052 0.886 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -13.205 -14.450 0.231 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.533 -14.802 0.729 1.00 1.49 H new ATOM 129 N GLN A 9 -10.840 -11.595 3.365 1.00 0.97 N ATOM 130 CA GLN A 9 -9.469 -11.245 3.715 1.00 0.93 C ATOM 131 C GLN A 9 -9.359 -10.977 5.218 1.00 0.91 C ATOM 132 O GLN A 9 -9.517 -11.891 6.022 1.00 0.98 O ATOM 133 CB GLN A 9 -9.017 -10.027 2.906 1.00 0.89 C ATOM 134 CG GLN A 9 -9.137 -10.221 1.405 1.00 1.00 C ATOM 135 CD GLN A 9 -8.054 -11.116 0.833 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.037 -10.633 0.334 1.00 1.49 O ATOM 137 NE2 GLN A 9 -8.261 -12.420 0.899 1.00 1.43 N ATOM 0 H GLN A 9 -11.529 -10.880 3.599 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.813 -12.081 3.471 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.612 -9.163 3.202 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.980 -9.800 3.154 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.113 -10.650 1.177 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.094 -9.249 0.914 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -9.117 -12.780 1.321 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -7.564 -13.066 0.528 1.00 1.43 H new ATOM 146 N THR A 10 -9.108 -9.730 5.597 1.00 0.91 N ATOM 147 CA THR A 10 -8.997 -9.369 7.006 1.00 0.91 C ATOM 148 C THR A 10 -10.216 -8.556 7.440 1.00 0.88 C ATOM 149 O THR A 10 -10.464 -7.468 6.922 1.00 0.82 O ATOM 150 CB THR A 10 -7.707 -8.573 7.277 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.607 -9.180 6.579 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.398 -8.535 8.767 1.00 0.96 C ATOM 0 H THR A 10 -8.978 -8.952 4.950 1.00 0.91 H new ATOM 0 HA THR A 10 -8.956 -10.290 7.587 1.00 0.91 H new ATOM 0 HB THR A 10 -7.853 -7.552 6.923 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.028 -8.481 6.209 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.483 -7.967 8.934 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.222 -8.059 9.298 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.267 -9.552 9.138 1.00 0.96 H new ATOM 160 N GLU A 11 -10.985 -9.098 8.376 1.00 0.99 N ATOM 161 CA GLU A 11 -12.197 -8.437 8.852 1.00 1.04 C ATOM 162 C GLU A 11 -11.902 -7.433 9.957 1.00 1.02 C ATOM 163 O GLU A 11 -10.967 -7.611 10.738 1.00 1.03 O ATOM 164 CB GLU A 11 -13.199 -9.477 9.351 1.00 1.19 C ATOM 165 CG GLU A 11 -14.618 -8.953 9.443 1.00 1.29 C ATOM 166 CD GLU A 11 -15.625 -10.061 9.624 1.00 1.51 C ATOM 167 OE1 GLU A 11 -15.754 -10.904 8.713 1.00 1.58 O ATOM 168 OE2 GLU A 11 -16.290 -10.102 10.678 1.00 1.89 O ATOM 0 H GLU A 11 -10.792 -9.995 8.822 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.623 -7.889 8.011 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.181 -10.338 8.683 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -12.886 -9.830 10.334 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -14.693 -8.257 10.278 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.856 -8.393 8.539 1.00 1.29 H new ATOM 175 N GLU A 12 -12.712 -6.380 10.011 1.00 1.07 N ATOM 176 CA GLU A 12 -12.568 -5.339 11.014 1.00 1.10 C ATOM 177 C GLU A 12 -13.955 -4.896 11.493 1.00 1.22 C ATOM 178 O GLU A 12 -14.938 -5.605 11.281 1.00 1.54 O ATOM 179 CB GLU A 12 -11.784 -4.151 10.438 1.00 1.07 C ATOM 180 CG GLU A 12 -10.990 -3.353 11.469 1.00 1.18 C ATOM 181 CD GLU A 12 -10.795 -4.098 12.777 1.00 1.74 C ATOM 182 OE1 GLU A 12 -9.860 -4.916 12.872 1.00 2.23 O ATOM 183 OE2 GLU A 12 -11.585 -3.870 13.715 1.00 2.22 O ATOM 0 H GLU A 12 -13.483 -6.228 9.361 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.010 -5.730 11.865 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.097 -4.521 9.677 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.482 -3.480 9.938 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -10.015 -3.101 11.052 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.505 -2.413 11.667 1.00 1.18 H new ATOM 190 N MET A 13 -14.017 -3.729 12.130 1.00 1.20 N ATOM 191 CA MET A 13 -15.265 -3.177 12.657 1.00 1.31 C ATOM 192 C MET A 13 -16.372 -3.156 11.606 1.00 1.28 C ATOM 193 O MET A 13 -17.379 -3.849 11.738 1.00 1.46 O ATOM 194 CB MET A 13 -15.032 -1.760 13.183 1.00 1.40 C ATOM 195 CG MET A 13 -14.011 -1.683 14.309 1.00 1.63 C ATOM 196 SD MET A 13 -13.679 0.010 14.838 1.00 1.83 S ATOM 197 CE MET A 13 -12.411 -0.260 16.077 1.00 2.25 C ATOM 0 H MET A 13 -13.203 -3.138 12.296 1.00 1.20 H new ATOM 0 HA MET A 13 -15.588 -3.827 13.470 1.00 1.31 H new ATOM 0 HB2 MET A 13 -14.700 -1.127 12.360 1.00 1.40 H new ATOM 0 HB3 MET A 13 -15.980 -1.353 13.536 1.00 1.40 H new ATOM 0 HG2 MET A 13 -14.372 -2.261 15.160 1.00 1.63 H new ATOM 0 HG3 MET A 13 -13.080 -2.146 13.981 1.00 1.63 H new ATOM 0 HE1 MET A 13 -12.103 0.698 16.497 1.00 2.25 H new ATOM 0 HE2 MET A 13 -12.807 -0.894 16.871 1.00 2.25 H new ATOM 0 HE3 MET A 13 -11.552 -0.748 15.618 1.00 2.25 H new ATOM 207 N GLU A 14 -16.184 -2.356 10.568 1.00 1.19 N ATOM 208 CA GLU A 14 -17.173 -2.246 9.502 1.00 1.18 C ATOM 209 C GLU A 14 -16.737 -3.043 8.277 1.00 1.09 C ATOM 210 O GLU A 14 -17.563 -3.636 7.585 1.00 1.18 O ATOM 211 CB GLU A 14 -17.373 -0.780 9.127 1.00 1.19 C ATOM 212 CG GLU A 14 -18.378 -0.559 8.007 1.00 1.29 C ATOM 213 CD GLU A 14 -18.379 0.868 7.510 1.00 1.54 C ATOM 214 OE1 GLU A 14 -18.300 1.789 8.351 1.00 2.02 O ATOM 215 OE2 GLU A 14 -18.439 1.078 6.281 1.00 2.13 O ATOM 0 H GLU A 14 -15.357 -1.773 10.439 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.116 -2.656 9.862 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.702 -0.232 10.010 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.413 -0.358 8.829 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.149 -1.230 7.179 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.376 -0.819 8.361 1.00 1.29 H new ATOM 222 N THR A 15 -15.434 -3.051 8.026 1.00 0.98 N ATOM 223 CA THR A 15 -14.858 -3.756 6.892 1.00 0.90 C ATOM 224 C THR A 15 -15.134 -5.261 6.964 1.00 0.94 C ATOM 225 O THR A 15 -14.641 -5.950 7.861 1.00 0.98 O ATOM 226 CB THR A 15 -13.346 -3.499 6.845 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.000 -2.514 7.833 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.927 -3.003 5.474 1.00 0.91 C ATOM 0 H THR A 15 -14.747 -2.568 8.605 1.00 0.98 H new ATOM 0 HA THR A 15 -15.325 -3.379 5.982 1.00 0.90 H new ATOM 0 HB THR A 15 -12.827 -4.435 7.051 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.034 -2.349 7.806 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.851 -2.827 5.464 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.180 -3.752 4.723 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.449 -2.073 5.249 1.00 0.91 H new ATOM 236 N PRO A 16 -15.927 -5.788 6.016 1.00 0.97 N ATOM 237 CA PRO A 16 -16.285 -7.203 5.980 1.00 1.04 C ATOM 238 C PRO A 16 -15.198 -8.066 5.349 1.00 0.96 C ATOM 239 O PRO A 16 -15.309 -8.475 4.193 1.00 0.96 O ATOM 240 CB PRO A 16 -17.547 -7.211 5.114 1.00 1.12 C ATOM 241 CG PRO A 16 -17.350 -6.084 4.163 1.00 1.07 C ATOM 242 CD PRO A 16 -16.540 -5.041 4.898 1.00 0.98 C ATOM 0 HA PRO A 16 -16.425 -7.619 6.978 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.662 -8.159 4.588 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.444 -7.070 5.717 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.829 -6.419 3.266 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.308 -5.676 3.841 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.783 -4.596 4.253 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.170 -4.228 5.259 1.00 0.98 H new ATOM 250 N ARG A 17 -14.138 -8.316 6.113 1.00 0.95 N ATOM 251 CA ARG A 17 -13.020 -9.139 5.652 1.00 0.92 C ATOM 252 C ARG A 17 -12.413 -8.551 4.382 1.00 0.82 C ATOM 253 O ARG A 17 -12.311 -9.223 3.352 1.00 0.83 O ATOM 254 CB ARG A 17 -13.491 -10.577 5.418 1.00 1.01 C ATOM 255 CG ARG A 17 -12.648 -11.617 6.126 1.00 1.13 C ATOM 256 CD ARG A 17 -13.439 -12.884 6.398 1.00 1.19 C ATOM 257 NE ARG A 17 -14.148 -12.819 7.673 1.00 1.38 N ATOM 258 CZ ARG A 17 -13.951 -13.667 8.680 1.00 1.67 C ATOM 259 NH1 ARG A 17 -13.035 -14.626 8.589 1.00 1.84 N ATOM 260 NH2 ARG A 17 -14.673 -13.551 9.784 1.00 1.94 N ATOM 0 H ARG A 17 -14.028 -7.958 7.062 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.247 -9.149 6.421 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.524 -10.670 5.753 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.483 -10.783 4.348 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -11.776 -11.855 5.518 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -12.279 -11.208 7.067 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -14.155 -13.045 5.592 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -12.764 -13.740 6.401 1.00 1.19 H new ATOM 0 HE ARG A 17 -14.837 -12.078 7.800 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -12.475 -14.717 7.742 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -12.892 -15.270 9.367 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.375 -12.815 9.859 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -14.527 -14.198 10.559 1.00 1.94 H new ATOM 274 N LEU A 18 -11.974 -7.303 4.477 1.00 0.75 N ATOM 275 CA LEU A 18 -11.416 -6.601 3.335 1.00 0.67 C ATOM 276 C LEU A 18 -10.026 -6.036 3.625 1.00 0.63 C ATOM 277 O LEU A 18 -9.851 -5.211 4.524 1.00 0.66 O ATOM 278 CB LEU A 18 -12.353 -5.461 2.935 1.00 0.65 C ATOM 279 CG LEU A 18 -12.984 -5.580 1.551 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.945 -6.757 1.499 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.700 -4.290 1.183 1.00 0.66 C ATOM 0 H LEU A 18 -11.995 -6.756 5.338 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.316 -7.320 2.522 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.151 -5.395 3.674 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.797 -4.525 2.982 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.190 -5.755 0.825 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.384 -6.824 0.504 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.405 -7.678 1.720 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.736 -6.614 2.236 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.145 -4.390 0.193 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.483 -4.087 1.914 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.986 -3.466 1.178 1.00 0.66 H new ATOM 293 N SER A 19 -9.043 -6.482 2.850 1.00 0.63 N ATOM 294 CA SER A 19 -7.674 -6.005 2.979 1.00 0.64 C ATOM 295 C SER A 19 -7.085 -5.806 1.586 1.00 0.61 C ATOM 296 O SER A 19 -7.401 -6.557 0.654 1.00 0.70 O ATOM 297 CB SER A 19 -6.814 -6.964 3.809 1.00 0.77 C ATOM 298 OG SER A 19 -6.639 -8.211 3.159 1.00 1.44 O ATOM 0 H SER A 19 -9.173 -7.181 2.119 1.00 0.63 H new ATOM 0 HA SER A 19 -7.682 -5.054 3.511 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.840 -6.511 3.994 1.00 0.77 H new ATOM 0 HB3 SER A 19 -7.282 -7.123 4.781 1.00 0.77 H new ATOM 0 HG SER A 19 -5.865 -8.674 3.542 1.00 1.44 H new ATOM 304 N VAL A 20 -6.250 -4.792 1.443 1.00 0.55 N ATOM 305 CA VAL A 20 -5.647 -4.467 0.160 1.00 0.56 C ATOM 306 C VAL A 20 -4.198 -4.950 0.067 1.00 0.67 C ATOM 307 O VAL A 20 -3.499 -5.076 1.077 1.00 0.73 O ATOM 308 CB VAL A 20 -5.693 -2.939 -0.088 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.767 -2.212 0.873 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.346 -2.601 -1.533 1.00 0.53 C ATOM 0 H VAL A 20 -5.972 -4.174 2.206 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.228 -4.984 -0.604 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.713 -2.602 0.095 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.814 -1.140 0.682 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.077 -2.412 1.899 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.745 -2.562 0.728 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.387 -1.521 -1.674 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.341 -2.958 -1.759 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -6.061 -3.082 -2.201 1.00 0.53 H new ATOM 320 N ILE A 21 -3.763 -5.229 -1.155 1.00 0.73 N ATOM 321 CA ILE A 21 -2.400 -5.662 -1.405 1.00 0.86 C ATOM 322 C ILE A 21 -1.532 -4.442 -1.694 1.00 0.87 C ATOM 323 O ILE A 21 -1.567 -3.886 -2.795 1.00 0.88 O ATOM 324 CB ILE A 21 -2.325 -6.672 -2.581 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.796 -8.053 -2.116 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.914 -6.762 -3.157 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.734 -9.116 -3.194 1.00 1.10 C ATOM 0 H ILE A 21 -4.342 -5.161 -1.992 1.00 0.73 H new ATOM 0 HA ILE A 21 -2.032 -6.175 -0.517 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.983 -6.313 -3.373 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.184 -8.370 -1.271 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.822 -7.974 -1.755 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.901 -7.479 -3.978 1.00 1.11 H new ATOM 0 HG22 ILE A 21 -0.608 -5.783 -3.525 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.224 -7.089 -2.379 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.083 -10.066 -2.789 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.368 -8.823 -4.031 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.706 -9.225 -3.539 1.00 1.10 H new ATOM 339 N VAL A 22 -0.805 -3.994 -0.679 1.00 0.89 N ATOM 340 CA VAL A 22 0.077 -2.846 -0.819 1.00 0.93 C ATOM 341 C VAL A 22 1.460 -3.310 -1.242 1.00 1.07 C ATOM 342 O VAL A 22 2.199 -3.882 -0.437 1.00 1.15 O ATOM 343 CB VAL A 22 0.194 -2.048 0.501 1.00 0.92 C ATOM 344 CG1 VAL A 22 0.896 -0.718 0.264 1.00 0.97 C ATOM 345 CG2 VAL A 22 -1.176 -1.830 1.126 1.00 0.80 C ATOM 0 H VAL A 22 -0.810 -4.410 0.252 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.352 -2.192 -1.578 1.00 0.93 H new ATOM 0 HB VAL A 22 0.794 -2.632 1.198 1.00 0.92 H new ATOM 0 HG11 VAL A 22 0.968 -0.172 1.205 1.00 0.97 H new ATOM 0 HG12 VAL A 22 1.897 -0.900 -0.128 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.326 -0.129 -0.455 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -1.068 -1.267 2.053 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.807 -1.272 0.434 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.636 -2.795 1.339 1.00 0.80 H new ATOM 355 N THR A 23 1.804 -3.081 -2.495 1.00 1.12 N ATOM 356 CA THR A 23 3.096 -3.496 -3.008 1.00 1.26 C ATOM 357 C THR A 23 4.004 -2.294 -3.271 1.00 1.32 C ATOM 358 O THR A 23 3.575 -1.248 -3.773 1.00 1.28 O ATOM 359 CB THR A 23 2.955 -4.361 -4.282 1.00 1.33 C ATOM 360 OG1 THR A 23 4.241 -4.614 -4.864 1.00 1.89 O ATOM 361 CG2 THR A 23 2.050 -3.696 -5.308 1.00 1.63 C ATOM 0 H THR A 23 1.208 -2.610 -3.176 1.00 1.12 H new ATOM 0 HA THR A 23 3.561 -4.111 -2.238 1.00 1.26 H new ATOM 0 HB THR A 23 2.502 -5.307 -3.986 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.134 -5.164 -5.668 1.00 1.89 H new ATOM 0 HG21 THR A 23 1.973 -4.331 -6.191 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.059 -3.550 -4.878 1.00 1.63 H new ATOM 0 HG23 THR A 23 2.469 -2.730 -5.591 1.00 1.63 H new ATOM 369 N HIS A 24 5.257 -2.450 -2.885 1.00 1.45 N ATOM 370 CA HIS A 24 6.271 -1.428 -3.056 1.00 1.54 C ATOM 371 C HIS A 24 7.508 -2.044 -3.697 1.00 1.61 C ATOM 372 O HIS A 24 8.418 -2.497 -2.994 1.00 1.63 O ATOM 373 CB HIS A 24 6.608 -0.803 -1.694 1.00 1.58 C ATOM 374 CG HIS A 24 7.786 0.126 -1.696 1.00 1.68 C ATOM 375 ND1 HIS A 24 8.713 0.152 -0.674 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.190 1.060 -2.591 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.631 1.065 -0.938 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.333 1.628 -2.095 1.00 1.86 N ATOM 0 H HIS A 24 5.602 -3.300 -2.439 1.00 1.45 H new ATOM 0 HA HIS A 24 5.899 -0.640 -3.711 1.00 1.54 H new ATOM 0 HB2 HIS A 24 5.735 -0.258 -1.336 1.00 1.58 H new ATOM 0 HB3 HIS A 24 6.798 -1.605 -0.980 1.00 1.58 H new ATOM 0 HD1 HIS A 24 8.693 -0.441 0.156 1.00 1.78 H new ATOM 0 HD2 HIS A 24 7.702 1.310 -3.521 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.479 1.309 -0.315 1.00 1.88 H new ATOM 0 HE2 HIS A 24 9.869 2.368 -2.547 1.00 1.86 H new ATOM 387 N SER A 25 7.504 -2.091 -5.030 1.00 1.68 N ATOM 388 CA SER A 25 8.602 -2.648 -5.827 1.00 1.77 C ATOM 389 C SER A 25 8.677 -4.178 -5.688 1.00 1.80 C ATOM 390 O SER A 25 8.756 -4.904 -6.682 1.00 1.90 O ATOM 391 CB SER A 25 9.932 -1.990 -5.441 1.00 1.78 C ATOM 392 OG SER A 25 9.771 -0.589 -5.263 1.00 1.90 O ATOM 0 H SER A 25 6.730 -1.740 -5.594 1.00 1.68 H new ATOM 0 HA SER A 25 8.404 -2.428 -6.876 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.310 -2.437 -4.521 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.675 -2.179 -6.216 1.00 1.78 H new ATOM 0 HG SER A 25 10.631 -0.190 -5.016 1.00 1.90 H new ATOM 398 N ASN A 26 8.638 -4.654 -4.456 1.00 1.77 N ATOM 399 CA ASN A 26 8.680 -6.080 -4.155 1.00 1.82 C ATOM 400 C ASN A 26 8.057 -6.319 -2.786 1.00 1.75 C ATOM 401 O ASN A 26 7.450 -7.357 -2.531 1.00 1.87 O ATOM 402 CB ASN A 26 10.119 -6.598 -4.171 1.00 1.95 C ATOM 403 CG ASN A 26 10.190 -8.112 -4.244 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.042 -8.802 -3.240 1.00 2.28 O ATOM 405 ND2 ASN A 26 10.434 -8.636 -5.434 1.00 2.32 N ATOM 0 H ASN A 26 8.576 -4.061 -3.629 1.00 1.77 H new ATOM 0 HA ASN A 26 8.118 -6.619 -4.917 1.00 1.82 H new ATOM 0 HB2 ASN A 26 10.646 -6.171 -5.024 1.00 1.95 H new ATOM 0 HB3 ASN A 26 10.635 -6.256 -3.274 1.00 1.95 H new ATOM 0 HD21 ASN A 26 10.505 -9.648 -5.541 1.00 2.32 H new ATOM 0 HD22 ASN A 26 10.551 -8.028 -6.245 1.00 2.32 H new ATOM 412 N GLU A 27 8.220 -5.331 -1.915 1.00 1.66 N ATOM 413 CA GLU A 27 7.681 -5.375 -0.563 1.00 1.60 C ATOM 414 C GLU A 27 6.152 -5.348 -0.604 1.00 1.47 C ATOM 415 O GLU A 27 5.568 -4.581 -1.363 1.00 1.48 O ATOM 416 CB GLU A 27 8.229 -4.172 0.219 1.00 1.63 C ATOM 417 CG GLU A 27 7.373 -3.732 1.399 1.00 1.89 C ATOM 418 CD GLU A 27 7.181 -2.226 1.437 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.191 -1.491 1.369 1.00 2.24 O ATOM 420 OE2 GLU A 27 6.025 -1.771 1.536 1.00 2.14 O ATOM 0 H GLU A 27 8.731 -4.474 -2.128 1.00 1.66 H new ATOM 0 HA GLU A 27 7.984 -6.298 -0.068 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.226 -4.418 0.584 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.338 -3.331 -0.466 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.400 -4.220 1.342 1.00 1.89 H new ATOM 0 HG3 GLU A 27 7.840 -4.061 2.327 1.00 1.89 H new ATOM 427 N ARG A 28 5.510 -6.191 0.196 1.00 1.44 N ATOM 428 CA ARG A 28 4.053 -6.244 0.228 1.00 1.33 C ATOM 429 C ARG A 28 3.546 -6.284 1.664 1.00 1.28 C ATOM 430 O ARG A 28 4.032 -7.064 2.482 1.00 1.36 O ATOM 431 CB ARG A 28 3.541 -7.477 -0.529 1.00 1.41 C ATOM 432 CG ARG A 28 2.177 -7.285 -1.188 1.00 1.45 C ATOM 433 CD ARG A 28 1.044 -7.198 -0.167 1.00 1.48 C ATOM 434 NE ARG A 28 0.715 -8.500 0.417 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.403 -8.763 1.107 1.00 1.51 C ATOM 436 NH1 ARG A 28 -1.303 -7.810 1.324 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.618 -9.982 1.585 1.00 1.92 N ATOM 0 H ARG A 28 5.972 -6.844 0.828 1.00 1.44 H new ATOM 0 HA ARG A 28 3.675 -5.344 -0.257 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.268 -7.746 -1.295 1.00 1.41 H new ATOM 0 HB3 ARG A 28 3.482 -8.316 0.164 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.192 -6.376 -1.789 1.00 1.45 H new ATOM 0 HG3 ARG A 28 1.986 -8.114 -1.869 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.327 -6.508 0.628 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.157 -6.784 -0.647 1.00 1.48 H new ATOM 0 HE ARG A 28 1.384 -9.260 0.290 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -1.146 -6.869 0.964 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -2.151 -8.020 1.850 1.00 1.47 H new ATOM 0 HH21 ARG A 28 0.068 -10.720 1.427 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.469 -10.181 2.110 1.00 1.92 H new ATOM 451 N TYR A 29 2.578 -5.433 1.963 1.00 1.17 N ATOM 452 CA TYR A 29 1.980 -5.389 3.285 1.00 1.13 C ATOM 453 C TYR A 29 0.466 -5.505 3.174 1.00 1.01 C ATOM 454 O TYR A 29 -0.128 -5.062 2.186 1.00 1.00 O ATOM 455 CB TYR A 29 2.368 -4.106 4.023 1.00 1.13 C ATOM 456 CG TYR A 29 3.783 -4.134 4.552 1.00 1.30 C ATOM 457 CD1 TYR A 29 4.177 -5.096 5.473 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.726 -3.214 4.120 1.00 1.60 C ATOM 459 CE1 TYR A 29 5.472 -5.141 5.946 1.00 1.82 C ATOM 460 CE2 TYR A 29 6.024 -3.251 4.593 1.00 1.88 C ATOM 461 CZ TYR A 29 6.391 -4.218 5.504 1.00 1.91 C ATOM 462 OH TYR A 29 7.686 -4.267 5.969 1.00 2.29 O ATOM 0 H TYR A 29 2.189 -4.760 1.303 1.00 1.17 H new ATOM 0 HA TYR A 29 2.359 -6.232 3.862 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.255 -3.257 3.349 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.679 -3.948 4.853 1.00 1.13 H new ATOM 0 HD1 TYR A 29 3.458 -5.821 5.825 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.442 -2.457 3.403 1.00 1.60 H new ATOM 0 HE1 TYR A 29 5.763 -5.897 6.660 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.747 -2.526 4.250 1.00 1.88 H new ATOM 0 HH TYR A 29 7.922 -5.194 6.183 1.00 2.29 H new ATOM 472 N ASP A 30 -0.146 -6.122 4.172 1.00 0.98 N ATOM 473 CA ASP A 30 -1.592 -6.301 4.189 1.00 0.90 C ATOM 474 C ASP A 30 -2.232 -5.240 5.062 1.00 0.84 C ATOM 475 O ASP A 30 -2.009 -5.205 6.274 1.00 0.96 O ATOM 476 CB ASP A 30 -1.953 -7.697 4.705 1.00 0.97 C ATOM 477 CG ASP A 30 -3.292 -8.180 4.186 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.439 -8.311 2.953 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.196 -8.450 5.009 1.00 1.34 O ATOM 0 H ASP A 30 0.336 -6.509 4.984 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.970 -6.201 3.171 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.176 -8.402 4.409 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.973 -7.684 5.795 1.00 0.97 H new ATOM 484 N LEU A 31 -3.006 -4.363 4.447 1.00 0.71 N ATOM 485 CA LEU A 31 -3.670 -3.293 5.173 1.00 0.66 C ATOM 486 C LEU A 31 -5.178 -3.411 5.013 1.00 0.58 C ATOM 487 O LEU A 31 -5.671 -3.744 3.933 1.00 0.59 O ATOM 488 CB LEU A 31 -3.180 -1.929 4.669 1.00 0.66 C ATOM 489 CG LEU A 31 -2.936 -0.865 5.750 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.250 -0.248 6.211 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.182 -1.461 6.932 1.00 0.98 C ATOM 0 H LEU A 31 -3.191 -4.370 3.444 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.426 -3.378 6.232 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.252 -2.079 4.117 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.912 -1.540 3.962 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.324 -0.076 5.314 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.051 0.502 6.976 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.749 0.222 5.363 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.892 -1.026 6.624 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.020 -0.691 7.686 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.766 -2.274 7.364 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.220 -1.846 6.593 1.00 0.98 H new ATOM 503 N LEU A 32 -5.902 -3.149 6.086 1.00 0.55 N ATOM 504 CA LEU A 32 -7.355 -3.230 6.070 1.00 0.52 C ATOM 505 C LEU A 32 -7.948 -2.031 5.339 1.00 0.43 C ATOM 506 O LEU A 32 -7.451 -0.913 5.460 1.00 0.43 O ATOM 507 CB LEU A 32 -7.897 -3.306 7.497 1.00 0.60 C ATOM 508 CG LEU A 32 -7.479 -4.554 8.277 1.00 0.73 C ATOM 509 CD1 LEU A 32 -6.339 -4.244 9.237 1.00 0.94 C ATOM 510 CD2 LEU A 32 -8.665 -5.133 9.027 1.00 0.85 C ATOM 0 H LEU A 32 -5.506 -2.876 6.986 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.646 -4.136 5.538 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.564 -2.424 8.044 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -8.986 -3.266 7.460 1.00 0.60 H new ATOM 0 HG LEU A 32 -7.124 -5.296 7.562 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -6.063 -5.149 9.778 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -5.479 -3.880 8.675 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -6.658 -3.481 9.946 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -8.350 -6.020 9.576 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.051 -4.391 9.726 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.447 -5.404 8.318 1.00 0.85 H new ATOM 522 N VAL A 33 -9.006 -2.279 4.577 1.00 0.41 N ATOM 523 CA VAL A 33 -9.673 -1.234 3.811 1.00 0.36 C ATOM 524 C VAL A 33 -10.318 -0.201 4.733 1.00 0.41 C ATOM 525 O VAL A 33 -10.821 -0.541 5.808 1.00 0.51 O ATOM 526 CB VAL A 33 -10.735 -1.844 2.870 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.473 -0.768 2.090 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.082 -2.833 1.917 1.00 0.56 C ATOM 0 H VAL A 33 -9.424 -3.204 4.473 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.918 -0.729 3.209 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.467 -2.368 3.485 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.212 -1.234 1.438 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.975 -0.094 2.785 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.762 -0.203 1.487 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.839 -3.257 1.258 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.328 -2.320 1.320 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.610 -3.632 2.489 1.00 0.56 H new ATOM 538 N THR A 34 -10.292 1.053 4.309 1.00 0.39 N ATOM 539 CA THR A 34 -10.856 2.144 5.084 1.00 0.48 C ATOM 540 C THR A 34 -12.385 2.112 5.056 1.00 0.59 C ATOM 541 O THR A 34 -12.999 2.284 4.002 1.00 0.65 O ATOM 542 CB THR A 34 -10.363 3.500 4.545 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.089 3.333 3.903 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.238 4.518 5.668 1.00 0.64 C ATOM 0 H THR A 34 -9.881 1.341 3.421 1.00 0.39 H new ATOM 0 HA THR A 34 -10.523 2.020 6.115 1.00 0.48 H new ATOM 0 HB THR A 34 -11.093 3.868 3.824 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.224 3.016 2.986 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.888 5.467 5.262 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.210 4.661 6.139 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.526 4.156 6.409 1.00 0.64 H new ATOM 552 N PRO A 35 -13.016 1.887 6.221 1.00 0.73 N ATOM 553 CA PRO A 35 -14.470 1.827 6.338 1.00 0.89 C ATOM 554 C PRO A 35 -15.102 3.211 6.501 1.00 0.93 C ATOM 555 O PRO A 35 -14.559 4.207 6.015 1.00 0.93 O ATOM 556 CB PRO A 35 -14.661 0.990 7.600 1.00 1.07 C ATOM 557 CG PRO A 35 -13.482 1.309 8.455 1.00 1.07 C ATOM 558 CD PRO A 35 -12.353 1.671 7.522 1.00 0.82 C ATOM 0 HA PRO A 35 -14.947 1.413 5.449 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.594 1.242 8.104 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.703 -0.074 7.366 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.706 2.135 9.130 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.212 0.455 9.076 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.831 2.567 7.857 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.612 0.873 7.464 1.00 0.82 H new ATOM 566 N GLN A 36 -16.249 3.259 7.187 1.00 1.02 N ATOM 567 CA GLN A 36 -16.979 4.502 7.435 1.00 1.13 C ATOM 568 C GLN A 36 -17.578 5.034 6.143 1.00 1.16 C ATOM 569 O GLN A 36 -17.550 6.236 5.871 1.00 1.24 O ATOM 570 CB GLN A 36 -16.085 5.560 8.091 1.00 1.16 C ATOM 571 CG GLN A 36 -15.475 5.105 9.405 1.00 1.38 C ATOM 572 CD GLN A 36 -15.019 6.263 10.263 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.882 6.721 10.155 1.00 2.47 O ATOM 574 NE2 GLN A 36 -15.900 6.743 11.124 1.00 2.33 N ATOM 0 H GLN A 36 -16.696 2.434 7.586 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.788 4.278 8.130 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.285 5.827 7.401 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.671 6.463 8.264 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.207 4.514 9.956 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.627 4.452 9.201 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -16.833 6.334 11.181 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -15.647 7.523 11.731 1.00 2.33 H new ATOM 583 N GLN A 37 -18.132 4.128 5.353 1.00 1.15 N ATOM 584 CA GLN A 37 -18.747 4.493 4.090 1.00 1.23 C ATOM 585 C GLN A 37 -19.823 3.482 3.727 1.00 1.30 C ATOM 586 O GLN A 37 -21.008 3.700 3.981 1.00 1.64 O ATOM 587 CB GLN A 37 -17.694 4.571 2.980 1.00 1.16 C ATOM 588 CG GLN A 37 -17.764 5.851 2.164 1.00 1.33 C ATOM 589 CD GLN A 37 -19.055 5.990 1.377 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.650 5.003 0.943 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.494 7.219 1.183 1.00 1.82 N ATOM 0 H GLN A 37 -18.168 3.131 5.567 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.205 5.476 4.196 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.702 4.487 3.425 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.817 3.718 2.313 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.660 6.706 2.832 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.921 5.881 1.474 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -18.973 8.012 1.558 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.354 7.376 0.658 1.00 1.82 H new ATOM 600 N GLY A 38 -19.406 2.365 3.155 1.00 1.14 N ATOM 601 CA GLY A 38 -20.349 1.346 2.766 1.00 1.21 C ATOM 602 C GLY A 38 -19.711 -0.015 2.664 1.00 1.14 C ATOM 603 O GLY A 38 -19.763 -0.637 1.603 1.00 1.17 O ATOM 0 H GLY A 38 -18.430 2.148 2.954 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.162 1.310 3.491 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.791 1.611 1.805 1.00 1.21 H new ATOM 607 N ASN A 39 -19.109 -0.458 3.773 1.00 1.13 N ATOM 608 CA ASN A 39 -18.434 -1.766 3.893 1.00 1.11 C ATOM 609 C ASN A 39 -17.491 -2.082 2.718 1.00 0.97 C ATOM 610 O ASN A 39 -16.286 -1.869 2.820 1.00 0.89 O ATOM 611 CB ASN A 39 -19.437 -2.921 4.137 1.00 1.30 C ATOM 612 CG ASN A 39 -20.596 -2.993 3.150 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.472 -3.560 2.063 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.736 -2.444 3.531 1.00 1.70 N ATOM 0 H ASN A 39 -19.074 0.090 4.633 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.801 -1.682 4.777 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.894 -3.865 4.105 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.843 -2.821 5.143 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.550 -2.482 2.918 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.802 -1.983 4.438 1.00 1.70 H new ATOM 621 N SER A 40 -18.033 -2.603 1.624 1.00 1.02 N ATOM 622 CA SER A 40 -17.240 -2.950 0.450 1.00 0.95 C ATOM 623 C SER A 40 -16.772 -1.693 -0.277 1.00 0.87 C ATOM 624 O SER A 40 -15.781 -1.711 -1.007 1.00 0.82 O ATOM 625 CB SER A 40 -18.064 -3.828 -0.492 1.00 1.07 C ATOM 626 OG SER A 40 -18.793 -4.800 0.237 1.00 1.30 O ATOM 0 H SER A 40 -19.030 -2.796 1.525 1.00 1.02 H new ATOM 0 HA SER A 40 -16.359 -3.503 0.777 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.751 -3.207 -1.067 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.405 -4.321 -1.207 1.00 1.07 H new ATOM 0 HG SER A 40 -19.492 -4.358 0.763 1.00 1.30 H new ATOM 632 N GLU A 41 -17.501 -0.608 -0.071 1.00 0.92 N ATOM 633 CA GLU A 41 -17.168 0.666 -0.679 1.00 0.88 C ATOM 634 C GLU A 41 -16.497 1.556 0.353 1.00 0.81 C ATOM 635 O GLU A 41 -17.114 1.933 1.350 1.00 0.90 O ATOM 636 CB GLU A 41 -18.419 1.342 -1.237 1.00 1.02 C ATOM 637 CG GLU A 41 -18.925 0.703 -2.517 1.00 1.34 C ATOM 638 CD GLU A 41 -20.333 1.133 -2.866 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.516 2.285 -3.309 1.00 1.73 O ATOM 640 OE2 GLU A 41 -21.262 0.314 -2.703 1.00 1.83 O ATOM 0 H GLU A 41 -18.334 -0.587 0.518 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.482 0.496 -1.509 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.208 1.308 -0.486 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.202 2.394 -1.425 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.256 0.963 -3.337 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -18.896 -0.382 -2.413 1.00 1.34 H new ATOM 647 N PRO A 42 -15.218 1.875 0.139 1.00 0.69 N ATOM 648 CA PRO A 42 -14.443 2.705 1.056 1.00 0.67 C ATOM 649 C PRO A 42 -14.585 4.202 0.781 1.00 0.69 C ATOM 650 O PRO A 42 -15.382 4.623 -0.059 1.00 0.77 O ATOM 651 CB PRO A 42 -13.018 2.247 0.771 1.00 0.60 C ATOM 652 CG PRO A 42 -13.016 1.920 -0.684 1.00 0.62 C ATOM 653 CD PRO A 42 -14.408 1.444 -1.019 1.00 0.64 C ATOM 0 HA PRO A 42 -14.767 2.591 2.091 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.296 3.029 1.003 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.752 1.379 1.374 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.752 2.795 -1.278 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.278 1.149 -0.907 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.770 1.887 -1.947 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.440 0.362 -1.149 1.00 0.64 H new ATOM 661 N VAL A 43 -13.795 4.996 1.496 1.00 0.67 N ATOM 662 CA VAL A 43 -13.815 6.446 1.349 1.00 0.72 C ATOM 663 C VAL A 43 -12.871 6.891 0.234 1.00 0.65 C ATOM 664 O VAL A 43 -12.164 6.074 -0.355 1.00 0.58 O ATOM 665 CB VAL A 43 -13.413 7.153 2.664 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.453 6.901 3.745 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.037 6.699 3.127 1.00 0.67 C ATOM 0 H VAL A 43 -13.128 4.656 2.188 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.837 6.728 1.095 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.367 8.225 2.473 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.153 7.406 4.663 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.419 7.286 3.418 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.533 5.830 3.930 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.778 7.211 4.054 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.047 5.623 3.298 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.298 6.938 2.362 1.00 0.67 H new ATOM 677 N VAL A 44 -12.856 8.187 -0.048 1.00 0.72 N ATOM 678 CA VAL A 44 -11.995 8.733 -1.092 1.00 0.71 C ATOM 679 C VAL A 44 -10.531 8.753 -0.649 1.00 0.66 C ATOM 680 O VAL A 44 -9.621 8.719 -1.476 1.00 0.68 O ATOM 681 CB VAL A 44 -12.425 10.159 -1.506 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.786 10.135 -2.187 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.443 11.101 -0.306 1.00 0.98 C ATOM 0 H VAL A 44 -13.430 8.881 0.431 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.099 8.076 -1.955 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.689 10.535 -2.217 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -14.069 11.149 -2.470 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.736 9.510 -3.079 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.529 9.729 -1.501 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -12.749 12.096 -0.629 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.147 10.729 0.438 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -11.446 11.152 0.131 1.00 0.98 H new ATOM 693 N GLN A 45 -10.313 8.787 0.663 1.00 0.66 N ATOM 694 CA GLN A 45 -8.961 8.811 1.218 1.00 0.65 C ATOM 695 C GLN A 45 -8.467 7.393 1.475 1.00 0.57 C ATOM 696 O GLN A 45 -7.434 7.190 2.112 1.00 0.62 O ATOM 697 CB GLN A 45 -8.933 9.599 2.531 1.00 0.74 C ATOM 698 CG GLN A 45 -9.567 10.977 2.437 1.00 1.07 C ATOM 699 CD GLN A 45 -9.569 11.717 3.760 1.00 1.44 C ATOM 700 OE1 GLN A 45 -9.602 11.109 4.829 1.00 1.88 O ATOM 701 NE2 GLN A 45 -9.540 13.039 3.695 1.00 1.94 N ATOM 0 H GLN A 45 -11.055 8.799 1.363 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.308 9.296 0.493 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.450 9.024 3.299 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.898 9.708 2.856 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.029 11.569 1.696 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.592 10.876 2.081 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -9.513 13.505 2.788 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -9.545 13.592 4.552 1.00 1.94 H new ATOM 710 N ASP A 46 -9.213 6.422 0.968 1.00 0.49 N ATOM 711 CA ASP A 46 -8.882 5.014 1.149 1.00 0.42 C ATOM 712 C ASP A 46 -7.505 4.674 0.595 1.00 0.41 C ATOM 713 O ASP A 46 -6.604 4.318 1.348 1.00 0.46 O ATOM 714 CB ASP A 46 -9.937 4.137 0.484 1.00 0.38 C ATOM 715 CG ASP A 46 -9.567 2.667 0.487 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.563 2.054 1.577 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.278 2.124 -0.608 1.00 0.31 O ATOM 0 H ASP A 46 -10.060 6.585 0.423 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.865 4.820 2.221 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.889 4.268 0.999 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.082 4.468 -0.544 1.00 0.38 H new ATOM 722 N LEU A 47 -7.337 4.817 -0.719 1.00 0.46 N ATOM 723 CA LEU A 47 -6.067 4.496 -1.376 1.00 0.54 C ATOM 724 C LEU A 47 -4.899 5.261 -0.753 1.00 0.56 C ATOM 725 O LEU A 47 -3.763 4.789 -0.758 1.00 0.65 O ATOM 726 CB LEU A 47 -6.143 4.789 -2.882 1.00 0.66 C ATOM 727 CG LEU A 47 -5.865 6.239 -3.291 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.195 6.286 -4.654 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.151 7.054 -3.300 1.00 1.00 C ATOM 0 H LEU A 47 -8.064 5.153 -1.351 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.889 3.431 -1.230 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.431 4.143 -3.396 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.136 4.515 -3.237 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.189 6.678 -2.557 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.004 7.323 -4.930 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.252 5.742 -4.615 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -5.848 5.827 -5.396 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -6.929 8.080 -3.593 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.853 6.617 -4.010 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.592 7.049 -2.303 1.00 1.00 H new ATOM 741 N ALA A 48 -5.187 6.435 -0.213 1.00 0.58 N ATOM 742 CA ALA A 48 -4.171 7.261 0.410 1.00 0.69 C ATOM 743 C ALA A 48 -3.770 6.694 1.769 1.00 0.67 C ATOM 744 O ALA A 48 -2.587 6.586 2.089 1.00 0.76 O ATOM 745 CB ALA A 48 -4.683 8.686 0.556 1.00 0.83 C ATOM 0 H ALA A 48 -6.124 6.837 -0.195 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.286 7.266 -0.226 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.916 9.302 1.025 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.921 9.090 -0.428 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.579 8.689 1.176 1.00 0.83 H new ATOM 751 N GLN A 49 -4.761 6.304 2.554 1.00 0.60 N ATOM 752 CA GLN A 49 -4.517 5.764 3.881 1.00 0.62 C ATOM 753 C GLN A 49 -3.988 4.332 3.817 1.00 0.59 C ATOM 754 O GLN A 49 -3.188 3.929 4.660 1.00 0.66 O ATOM 755 CB GLN A 49 -5.799 5.818 4.714 1.00 0.62 C ATOM 756 CG GLN A 49 -5.564 5.685 6.213 1.00 0.95 C ATOM 757 CD GLN A 49 -5.163 6.990 6.884 1.00 1.27 C ATOM 758 OE1 GLN A 49 -4.473 7.860 6.163 1.00 1.86 O flip ATOM 759 NE2 GLN A 49 -5.473 7.215 8.052 1.00 1.43 N flip ATOM 0 H GLN A 49 -5.746 6.352 2.293 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.753 6.379 4.357 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.309 6.761 4.518 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.467 5.021 4.388 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.473 5.309 6.683 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -4.785 4.943 6.386 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -6.005 6.524 8.581 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -5.198 8.093 8.493 1.00 1.43 H new ATOM 768 N LEU A 50 -4.427 3.578 2.817 1.00 0.52 N ATOM 769 CA LEU A 50 -4.000 2.189 2.653 1.00 0.53 C ATOM 770 C LEU A 50 -2.483 2.074 2.580 1.00 0.65 C ATOM 771 O LEU A 50 -1.878 1.279 3.294 1.00 0.72 O ATOM 772 CB LEU A 50 -4.603 1.582 1.385 1.00 0.46 C ATOM 773 CG LEU A 50 -6.123 1.428 1.382 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.582 0.757 0.099 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.585 0.638 2.593 1.00 0.40 C ATOM 0 H LEU A 50 -5.080 3.904 2.104 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.354 1.643 3.527 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.318 2.203 0.536 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.157 0.600 1.226 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.570 2.421 1.434 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.667 0.654 0.110 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.284 1.364 -0.756 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -6.124 -0.229 0.020 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.670 0.540 2.571 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.131 -0.353 2.576 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.286 1.159 3.503 1.00 0.40 H new ATOM 787 N VAL A 51 -1.874 2.874 1.720 1.00 0.70 N ATOM 788 CA VAL A 51 -0.431 2.843 1.549 1.00 0.84 C ATOM 789 C VAL A 51 0.285 3.532 2.710 1.00 0.90 C ATOM 790 O VAL A 51 1.375 3.116 3.111 1.00 1.01 O ATOM 791 CB VAL A 51 -0.012 3.478 0.203 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.358 4.960 0.151 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.467 3.260 -0.061 1.00 1.37 C ATOM 0 H VAL A 51 -2.356 3.552 1.130 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.130 1.795 1.541 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.578 2.980 -0.584 1.00 0.90 H new ATOM 0 HG11 VAL A 51 -0.049 5.372 -0.809 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.434 5.087 0.271 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.161 5.483 0.954 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.738 3.716 -1.013 1.00 1.37 H new ATOM 0 HG22 VAL A 51 2.050 3.717 0.738 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.676 2.191 -0.098 1.00 1.37 H new ATOM 803 N GLU A 52 -0.342 4.563 3.266 1.00 0.86 N ATOM 804 CA GLU A 52 0.245 5.300 4.375 1.00 0.93 C ATOM 805 C GLU A 52 0.337 4.432 5.625 1.00 0.95 C ATOM 806 O GLU A 52 1.421 4.232 6.172 1.00 1.07 O ATOM 807 CB GLU A 52 -0.561 6.569 4.673 1.00 0.91 C ATOM 808 CG GLU A 52 -0.108 7.297 5.932 1.00 1.13 C ATOM 809 CD GLU A 52 -0.514 8.754 5.956 1.00 1.17 C ATOM 810 OE1 GLU A 52 -1.700 9.040 6.218 1.00 1.37 O ATOM 811 OE2 GLU A 52 0.360 9.623 5.743 1.00 1.40 O ATOM 0 H GLU A 52 -1.255 4.905 2.966 1.00 0.86 H new ATOM 0 HA GLU A 52 1.255 5.588 4.082 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.483 7.247 3.823 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.614 6.305 4.775 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.527 6.795 6.805 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.977 7.227 6.014 1.00 1.13 H new ATOM 818 N GLU A 53 -0.794 3.881 6.051 1.00 0.86 N ATOM 819 CA GLU A 53 -0.830 3.055 7.251 1.00 0.89 C ATOM 820 C GLU A 53 -0.153 1.707 7.029 1.00 0.93 C ATOM 821 O GLU A 53 0.132 0.991 7.985 1.00 1.01 O ATOM 822 CB GLU A 53 -2.271 2.838 7.717 1.00 0.85 C ATOM 823 CG GLU A 53 -2.403 2.708 9.226 1.00 1.33 C ATOM 824 CD GLU A 53 -3.410 1.651 9.640 1.00 1.45 C ATOM 825 OE1 GLU A 53 -4.598 1.992 9.799 1.00 1.99 O ATOM 826 OE2 GLU A 53 -3.011 0.479 9.822 1.00 1.81 O ATOM 0 H GLU A 53 -1.695 3.991 5.585 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.279 3.590 8.025 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.885 3.672 7.376 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.666 1.938 7.246 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -1.430 2.462 9.651 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -2.700 3.670 9.644 1.00 1.33 H new ATOM 833 N ALA A 54 0.119 1.375 5.771 1.00 0.93 N ATOM 834 CA ALA A 54 0.764 0.111 5.432 1.00 1.00 C ATOM 835 C ALA A 54 2.135 -0.025 6.090 1.00 1.15 C ATOM 836 O ALA A 54 2.608 -1.135 6.330 1.00 1.28 O ATOM 837 CB ALA A 54 0.894 -0.030 3.926 1.00 1.06 C ATOM 0 H ALA A 54 -0.098 1.965 4.968 1.00 0.93 H new ATOM 0 HA ALA A 54 0.131 -0.689 5.816 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.377 -0.978 3.690 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -0.096 -0.004 3.471 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.495 0.791 3.534 1.00 1.06 H new ATOM 843 N THR A 55 2.787 1.101 6.350 1.00 1.21 N ATOM 844 CA THR A 55 4.104 1.086 6.979 1.00 1.38 C ATOM 845 C THR A 55 4.374 2.392 7.731 1.00 1.40 C ATOM 846 O THR A 55 5.478 2.624 8.216 1.00 1.55 O ATOM 847 CB THR A 55 5.219 0.850 5.932 1.00 1.60 C ATOM 848 OG1 THR A 55 4.728 0.009 4.878 1.00 1.81 O ATOM 849 CG2 THR A 55 6.432 0.189 6.567 1.00 1.77 C ATOM 0 H THR A 55 2.429 2.032 6.137 1.00 1.21 H new ATOM 0 HA THR A 55 4.110 0.262 7.693 1.00 1.38 H new ATOM 0 HB THR A 55 5.515 1.819 5.530 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.070 -0.901 4.999 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.200 0.035 5.810 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.824 0.830 7.356 1.00 1.77 H new ATOM 0 HG23 THR A 55 6.142 -0.772 6.991 1.00 1.77 H new ATOM 857 N GLY A 56 3.350 3.231 7.849 1.00 1.30 N ATOM 858 CA GLY A 56 3.506 4.503 8.533 1.00 1.34 C ATOM 859 C GLY A 56 4.318 5.482 7.710 1.00 1.42 C ATOM 860 O GLY A 56 5.245 6.113 8.219 1.00 1.55 O ATOM 0 H GLY A 56 2.415 3.053 7.483 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.524 4.928 8.741 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.994 4.343 9.494 1.00 1.34 H new ATOM 864 N VAL A 57 3.960 5.608 6.440 1.00 1.37 N ATOM 865 CA VAL A 57 4.668 6.491 5.517 1.00 1.46 C ATOM 866 C VAL A 57 3.771 7.638 5.070 1.00 1.37 C ATOM 867 O VAL A 57 2.659 7.405 4.607 1.00 1.26 O ATOM 868 CB VAL A 57 5.145 5.714 4.269 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.012 6.590 3.375 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.892 4.454 4.681 1.00 1.63 C ATOM 0 H VAL A 57 3.177 5.106 6.020 1.00 1.37 H new ATOM 0 HA VAL A 57 5.532 6.891 6.047 1.00 1.46 H new ATOM 0 HB VAL A 57 4.266 5.422 3.695 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.333 6.017 2.505 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.437 7.456 3.047 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.887 6.925 3.932 1.00 1.70 H new ATOM 0 HG21 VAL A 57 6.221 3.918 3.790 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.760 4.726 5.282 1.00 1.63 H new ATOM 0 HG23 VAL A 57 5.231 3.814 5.266 1.00 1.63 H new ATOM 880 N PRO A 58 4.235 8.892 5.215 1.00 1.45 N ATOM 881 CA PRO A 58 3.463 10.071 4.808 1.00 1.41 C ATOM 882 C PRO A 58 3.187 10.085 3.305 1.00 1.35 C ATOM 883 O PRO A 58 4.027 9.659 2.509 1.00 1.39 O ATOM 884 CB PRO A 58 4.359 11.252 5.197 1.00 1.56 C ATOM 885 CG PRO A 58 5.343 10.699 6.170 1.00 1.67 C ATOM 886 CD PRO A 58 5.535 9.259 5.795 1.00 1.63 C ATOM 0 HA PRO A 58 2.483 10.096 5.284 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.861 11.668 4.324 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.776 12.057 5.643 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.286 11.243 6.122 1.00 1.67 H new ATOM 0 HG3 PRO A 58 4.974 10.790 7.192 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.347 9.133 5.078 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.778 8.645 6.662 1.00 1.63 H new ATOM 894 N LEU A 59 2.017 10.592 2.929 1.00 1.29 N ATOM 895 CA LEU A 59 1.604 10.661 1.525 1.00 1.26 C ATOM 896 C LEU A 59 2.664 11.297 0.608 1.00 1.34 C ATOM 897 O LEU A 59 3.021 10.698 -0.403 1.00 1.35 O ATOM 898 CB LEU A 59 0.270 11.401 1.388 1.00 1.25 C ATOM 899 CG LEU A 59 -0.968 10.602 1.801 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.222 11.438 1.599 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.057 9.307 1.008 1.00 1.54 C ATOM 0 H LEU A 59 1.329 10.966 3.583 1.00 1.29 H new ATOM 0 HA LEU A 59 1.483 9.630 1.193 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.314 12.309 1.990 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.151 11.712 0.350 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.883 10.350 2.858 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.097 10.859 1.896 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.160 12.340 2.208 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.310 11.715 0.548 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -1.944 8.752 1.315 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.123 9.536 -0.056 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.169 8.704 1.195 1.00 1.54 H new ATOM 913 N PRO A 60 3.203 12.496 0.931 1.00 1.42 N ATOM 914 CA PRO A 60 4.212 13.155 0.082 1.00 1.52 C ATOM 915 C PRO A 60 5.540 12.399 0.013 1.00 1.60 C ATOM 916 O PRO A 60 6.462 12.826 -0.679 1.00 1.79 O ATOM 917 CB PRO A 60 4.426 14.518 0.753 1.00 1.61 C ATOM 918 CG PRO A 60 3.256 14.699 1.656 1.00 1.56 C ATOM 919 CD PRO A 60 2.885 13.320 2.110 1.00 1.46 C ATOM 0 HA PRO A 60 3.867 13.211 -0.951 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.361 14.539 1.312 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.479 15.317 0.013 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.509 15.337 2.503 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.427 15.177 1.134 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.458 13.014 2.985 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.831 13.252 2.380 1.00 1.46 H new ATOM 927 N PHE A 61 5.649 11.287 0.732 1.00 1.55 N ATOM 928 CA PHE A 61 6.874 10.497 0.726 1.00 1.63 C ATOM 929 C PHE A 61 6.735 9.276 -0.174 1.00 1.59 C ATOM 930 O PHE A 61 7.664 8.477 -0.303 1.00 1.70 O ATOM 931 CB PHE A 61 7.245 10.072 2.147 1.00 1.66 C ATOM 932 CG PHE A 61 8.135 11.054 2.847 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.623 12.239 3.349 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.488 10.795 2.997 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.443 13.147 3.990 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.313 11.697 3.638 1.00 2.25 C ATOM 937 CZ PHE A 61 9.790 12.873 4.135 1.00 2.34 C ATOM 0 H PHE A 61 4.907 10.914 1.324 1.00 1.55 H new ATOM 0 HA PHE A 61 7.674 11.121 0.328 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.333 9.940 2.729 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.743 9.103 2.111 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.571 12.455 3.238 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.902 9.877 2.608 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.033 14.068 4.377 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.366 11.483 3.750 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.433 13.580 4.638 1.00 2.34 H new ATOM 947 N GLN A 62 5.578 9.141 -0.805 1.00 1.47 N ATOM 948 CA GLN A 62 5.320 8.024 -1.702 1.00 1.44 C ATOM 949 C GLN A 62 4.497 8.487 -2.898 1.00 1.40 C ATOM 950 O GLN A 62 4.125 9.656 -2.989 1.00 1.55 O ATOM 951 CB GLN A 62 4.598 6.895 -0.963 1.00 1.38 C ATOM 952 CG GLN A 62 3.287 7.312 -0.315 1.00 1.35 C ATOM 953 CD GLN A 62 3.012 6.559 0.969 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.307 7.198 1.882 1.00 2.14 O flip ATOM 955 NE2 GLN A 62 3.430 5.415 1.138 1.00 1.66 N flip ATOM 0 H GLN A 62 4.800 9.794 -0.712 1.00 1.47 H new ATOM 0 HA GLN A 62 6.275 7.642 -2.062 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.402 6.084 -1.664 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.260 6.498 -0.194 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.312 8.382 -0.107 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.469 7.142 -1.015 1.00 1.35 H new ATOM 0 HE21 GLN A 62 3.972 4.957 0.405 1.00 1.66 H new ATOM 0 HE22 GLN A 62 3.235 4.924 2.011 1.00 1.66 H new ATOM 964 N LYS A 63 4.219 7.576 -3.816 1.00 1.42 N ATOM 965 CA LYS A 63 3.445 7.905 -5.003 1.00 1.38 C ATOM 966 C LYS A 63 2.552 6.734 -5.391 1.00 1.27 C ATOM 967 O LYS A 63 2.949 5.876 -6.176 1.00 1.31 O ATOM 968 CB LYS A 63 4.381 8.261 -6.159 1.00 1.51 C ATOM 969 CG LYS A 63 3.716 9.039 -7.285 1.00 1.64 C ATOM 970 CD LYS A 63 4.705 9.341 -8.398 1.00 1.73 C ATOM 971 CE LYS A 63 4.080 10.198 -9.488 1.00 1.94 C ATOM 972 NZ LYS A 63 3.893 11.607 -9.055 1.00 2.29 N ATOM 0 H LYS A 63 4.518 6.602 -3.763 1.00 1.42 H new ATOM 0 HA LYS A 63 2.815 8.767 -4.783 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.213 8.847 -5.770 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.802 7.342 -6.567 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.879 8.465 -7.683 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.306 9.971 -6.895 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.573 9.854 -7.984 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.063 8.407 -8.830 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.713 10.173 -10.375 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.116 9.776 -9.772 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 3.544 12.173 -9.855 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.202 11.643 -8.278 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 4.802 11.993 -8.728 1.00 2.29 H new ATOM 986 N LEU A 64 1.357 6.698 -4.813 1.00 1.16 N ATOM 987 CA LEU A 64 0.394 5.631 -5.082 1.00 1.06 C ATOM 988 C LEU A 64 -0.152 5.742 -6.504 1.00 1.05 C ATOM 989 O LEU A 64 -0.731 6.767 -6.877 1.00 1.06 O ATOM 990 CB LEU A 64 -0.766 5.686 -4.073 1.00 0.98 C ATOM 991 CG LEU A 64 -1.440 4.344 -3.730 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.233 3.804 -4.911 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.405 3.329 -3.270 1.00 1.06 C ATOM 0 H LEU A 64 1.028 7.400 -4.150 1.00 1.16 H new ATOM 0 HA LEU A 64 0.910 4.676 -4.978 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.394 6.127 -3.148 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.528 6.361 -4.464 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.140 4.521 -2.913 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -2.696 2.856 -4.636 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.008 4.520 -5.187 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -1.564 3.649 -5.758 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -0.900 2.387 -3.032 1.00 1.06 H new ATOM 0 HD22 LEU A 64 0.323 3.166 -4.065 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.105 3.705 -2.383 1.00 1.06 H new ATOM 1005 N ILE A 65 0.043 4.690 -7.287 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.439 4.644 -8.659 1.00 1.08 C ATOM 1007 C ILE A 65 -1.124 3.305 -8.922 1.00 1.05 C ATOM 1008 O ILE A 65 -0.500 2.355 -9.399 1.00 1.15 O ATOM 1009 CB ILE A 65 0.700 4.856 -9.687 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.434 6.174 -9.416 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.145 4.843 -11.107 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.630 6.401 -10.314 1.00 1.42 C ATOM 0 H ILE A 65 0.537 3.849 -6.990 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.151 5.460 -8.782 1.00 1.08 H new ATOM 0 HB ILE A 65 1.411 4.037 -9.583 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.735 7.001 -9.541 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.763 6.189 -8.377 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.958 4.993 -11.817 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.334 3.883 -11.302 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.587 5.643 -11.219 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.098 7.353 -10.063 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.350 5.595 -10.172 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.306 6.419 -11.354 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.397 3.231 -8.568 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.194 2.027 -8.758 1.00 0.91 C ATOM 1026 C PHE A 66 -4.659 2.352 -8.499 1.00 0.84 C ATOM 1027 O PHE A 66 -4.986 3.496 -8.177 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.732 0.894 -7.832 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.458 -0.405 -8.546 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.162 -0.755 -9.689 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.494 -1.279 -8.070 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.908 -1.949 -10.339 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -1.237 -2.472 -8.714 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.943 -2.808 -9.851 1.00 1.16 C ATOM 0 H PHE A 66 -2.908 4.003 -8.141 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.065 1.684 -9.785 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.827 1.209 -7.312 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.495 0.726 -7.072 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.917 -0.087 -10.076 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.936 -1.023 -7.182 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.464 -2.209 -11.228 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.483 -3.143 -8.328 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.741 -3.740 -10.358 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.531 1.353 -8.645 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.974 1.525 -8.445 1.00 0.89 C ATOM 1046 C LYS A 67 -7.540 2.508 -9.468 1.00 0.84 C ATOM 1047 O LYS A 67 -8.648 3.019 -9.302 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.294 2.029 -7.027 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.267 0.952 -5.949 1.00 0.69 C ATOM 1050 CD LYS A 67 -8.049 1.394 -4.717 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.901 0.416 -3.560 1.00 0.72 C ATOM 1052 NZ LYS A 67 -9.052 0.478 -2.613 1.00 0.54 N ATOM 0 H LYS A 67 -5.260 0.404 -8.904 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.438 0.548 -8.577 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.578 2.807 -6.762 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.281 2.492 -7.034 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.692 0.028 -6.342 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.235 0.736 -5.671 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.704 2.379 -4.404 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -9.104 1.493 -4.974 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.811 -0.597 -3.953 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.978 0.632 -3.021 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -9.280 -0.481 -2.280 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.801 1.076 -1.800 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.879 0.882 -3.097 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.775 2.761 -10.527 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.202 3.697 -11.549 1.00 0.93 C ATOM 1068 C GLY A 68 -7.282 5.110 -11.007 1.00 0.94 C ATOM 1069 O GLY A 68 -8.283 5.801 -11.200 1.00 1.05 O ATOM 0 H GLY A 68 -5.865 2.332 -10.694 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.505 3.666 -12.387 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.177 3.398 -11.934 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.240 5.527 -10.290 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.188 6.859 -9.695 1.00 0.93 C ATOM 1075 C LYS A 69 -4.801 7.148 -9.134 1.00 0.96 C ATOM 1076 O LYS A 69 -3.879 6.345 -9.284 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.225 6.980 -8.574 1.00 0.92 C ATOM 1078 CG LYS A 69 -7.324 5.736 -7.707 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.527 5.779 -6.775 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.823 6.055 -7.525 1.00 1.24 C ATOM 1081 NZ LYS A 69 -9.899 5.332 -8.827 1.00 1.50 N ATOM 0 H LYS A 69 -5.415 4.956 -10.107 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.411 7.586 -10.476 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.971 7.833 -7.945 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -8.201 7.187 -9.013 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -7.392 4.855 -8.345 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -6.413 5.633 -7.117 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.610 4.829 -6.247 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.374 6.551 -6.021 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.668 5.763 -6.902 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.914 7.126 -7.703 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -10.840 4.901 -8.930 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -9.738 6.002 -9.606 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -9.173 4.588 -8.854 1.00 1.50 H new ATOM 1095 N SER A 70 -4.671 8.298 -8.488 1.00 0.95 N ATOM 1096 CA SER A 70 -3.416 8.714 -7.887 1.00 1.00 C ATOM 1097 C SER A 70 -3.637 9.047 -6.415 1.00 0.93 C ATOM 1098 O SER A 70 -4.766 9.318 -6.000 1.00 0.89 O ATOM 1099 CB SER A 70 -2.861 9.938 -8.619 1.00 1.17 C ATOM 1100 OG SER A 70 -3.188 9.899 -9.999 1.00 1.46 O ATOM 0 H SER A 70 -5.432 8.966 -8.367 1.00 0.95 H new ATOM 0 HA SER A 70 -2.696 7.899 -7.968 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.264 10.847 -8.172 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.778 9.977 -8.500 1.00 1.17 H new ATOM 0 HG SER A 70 -2.824 10.693 -10.444 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.565 9.013 -5.634 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.644 9.309 -4.207 1.00 0.99 C ATOM 1108 C LEU A 71 -3.066 10.756 -3.973 1.00 1.00 C ATOM 1109 O LEU A 71 -2.483 11.681 -4.540 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.299 9.032 -3.514 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.202 10.082 -3.729 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.881 9.933 -2.675 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.401 9.962 -5.122 1.00 1.28 C ATOM 0 H LEU A 71 -1.628 8.783 -5.964 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.399 8.653 -3.774 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.478 8.937 -2.443 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.925 8.069 -3.862 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.654 11.070 -3.637 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.654 10.684 -2.839 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.446 10.069 -1.685 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.321 8.938 -2.744 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.176 10.718 -5.249 1.00 1.28 H new ATOM 0 HD22 LEU A 71 0.837 8.971 -5.246 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.378 10.112 -5.870 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.086 10.935 -3.141 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.613 12.252 -2.807 1.00 0.99 C ATOM 1127 C LYS A 72 -5.714 12.103 -1.769 1.00 0.95 C ATOM 1128 O LYS A 72 -6.125 10.984 -1.458 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.185 12.941 -4.051 1.00 1.02 C ATOM 1130 CG LYS A 72 -4.317 14.064 -4.589 1.00 1.22 C ATOM 1131 CD LYS A 72 -4.937 14.689 -5.823 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.014 15.713 -6.459 1.00 1.62 C ATOM 1133 NZ LYS A 72 -4.688 16.451 -7.560 1.00 1.90 N ATOM 0 H LYS A 72 -4.572 10.167 -2.678 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.801 12.862 -2.412 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.324 12.196 -4.834 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.171 13.340 -3.812 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -4.183 14.825 -3.820 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -3.327 13.678 -4.831 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -5.170 13.909 -6.548 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -5.880 15.166 -5.555 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -3.676 16.419 -5.701 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -3.127 15.212 -6.846 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -4.027 17.141 -7.970 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -4.988 15.779 -8.295 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -5.521 16.949 -7.185 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.184 13.220 -1.229 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.263 13.191 -0.250 1.00 1.01 C ATOM 1149 C GLU A 73 -8.562 12.821 -0.953 1.00 0.98 C ATOM 1150 O GLU A 73 -9.450 12.199 -0.373 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.414 14.546 0.446 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.167 14.996 1.194 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.249 15.851 0.345 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.470 15.940 -0.882 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -4.302 16.444 0.901 1.00 1.98 O ATOM 0 H GLU A 73 -5.837 14.153 -1.451 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.026 12.448 0.512 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.671 15.299 -0.298 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -8.247 14.493 1.147 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.463 15.558 2.080 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.621 14.119 1.541 1.00 1.33 H new ATOM 1162 N MET A 74 -8.655 13.221 -2.212 1.00 1.01 N ATOM 1163 CA MET A 74 -9.817 12.935 -3.037 1.00 1.03 C ATOM 1164 C MET A 74 -9.448 13.092 -4.509 1.00 1.05 C ATOM 1165 O MET A 74 -8.935 14.130 -4.925 1.00 1.16 O ATOM 1166 CB MET A 74 -10.996 13.851 -2.681 1.00 1.15 C ATOM 1167 CG MET A 74 -10.686 15.332 -2.807 1.00 1.26 C ATOM 1168 SD MET A 74 -12.150 16.316 -3.176 1.00 1.65 S ATOM 1169 CE MET A 74 -11.399 17.912 -3.474 1.00 1.77 C ATOM 0 H MET A 74 -7.927 13.753 -2.690 1.00 1.01 H new ATOM 0 HA MET A 74 -10.130 11.908 -2.848 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.839 13.610 -3.329 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.310 13.641 -1.658 1.00 1.15 H new ATOM 0 HG2 MET A 74 -10.239 15.686 -1.878 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.946 15.479 -3.594 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.174 18.639 -3.717 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.865 18.236 -2.580 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.699 17.835 -4.306 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.685 12.050 -5.285 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.379 12.073 -6.706 1.00 1.14 C ATOM 1181 C GLU A 75 -10.588 11.595 -7.505 1.00 1.13 C ATOM 1182 O GLU A 75 -11.412 12.399 -7.944 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.142 11.208 -6.993 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.586 11.367 -8.399 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.593 12.808 -8.867 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -6.858 13.632 -8.286 1.00 1.89 O ATOM 1187 OE2 GLU A 75 -8.345 13.121 -9.810 1.00 1.65 O ATOM 0 H GLU A 75 -10.090 11.174 -4.955 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.153 13.094 -7.012 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.362 11.459 -6.275 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.399 10.161 -6.832 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.566 10.984 -8.428 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -8.174 10.762 -9.089 1.00 1.28 H new ATOM 1194 N THR A 76 -10.709 10.290 -7.664 1.00 1.06 N ATOM 1195 CA THR A 76 -11.820 9.707 -8.394 1.00 1.09 C ATOM 1196 C THR A 76 -12.872 9.220 -7.400 1.00 1.04 C ATOM 1197 O THR A 76 -12.518 8.793 -6.302 1.00 0.98 O ATOM 1198 CB THR A 76 -11.339 8.531 -9.267 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.915 8.596 -9.415 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.986 8.556 -10.645 1.00 1.29 C ATOM 0 H THR A 76 -10.046 9.609 -7.294 1.00 1.06 H new ATOM 0 HA THR A 76 -12.252 10.464 -9.048 1.00 1.09 H new ATOM 0 HB THR A 76 -11.627 7.605 -8.770 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.658 8.209 -10.278 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.623 7.713 -11.233 1.00 1.29 H new ATOM 0 HG22 THR A 76 -13.069 8.486 -10.540 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.730 9.487 -11.150 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.168 9.318 -7.756 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.282 8.885 -6.898 1.00 1.14 C ATOM 1210 C PRO A 77 -15.057 7.533 -6.218 1.00 1.01 C ATOM 1211 O PRO A 77 -14.382 6.649 -6.754 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.449 8.795 -7.877 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.159 9.849 -8.886 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.660 9.896 -9.025 1.00 1.24 C ATOM 0 HA PRO A 77 -15.430 9.575 -6.067 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.508 7.809 -8.337 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.402 8.972 -7.378 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.631 9.615 -9.840 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.551 10.814 -8.565 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.320 9.319 -9.885 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.303 10.917 -9.164 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.658 7.386 -5.042 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.552 6.172 -4.229 1.00 0.97 C ATOM 1224 C LEU A 78 -15.951 4.927 -5.013 1.00 0.95 C ATOM 1225 O LEU A 78 -15.396 3.847 -4.810 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.439 6.295 -2.988 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.572 7.708 -2.420 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.810 8.403 -2.975 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.620 7.668 -0.904 1.00 1.22 C ATOM 0 H LEU A 78 -16.238 8.111 -4.620 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.508 6.066 -3.934 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.434 5.925 -3.234 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.040 5.644 -2.210 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.696 8.281 -2.725 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -17.882 9.407 -2.556 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -17.735 8.468 -4.061 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.699 7.832 -2.706 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.715 8.682 -0.516 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -17.476 7.075 -0.583 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -15.703 7.218 -0.523 1.00 1.22 H new ATOM 1241 N SER A 79 -16.902 5.085 -5.924 1.00 1.07 N ATOM 1242 CA SER A 79 -17.381 3.981 -6.744 1.00 1.12 C ATOM 1243 C SER A 79 -16.259 3.407 -7.618 1.00 1.00 C ATOM 1244 O SER A 79 -16.366 2.298 -8.143 1.00 1.04 O ATOM 1245 CB SER A 79 -18.538 4.475 -7.608 1.00 1.31 C ATOM 1246 OG SER A 79 -19.213 5.547 -6.962 1.00 1.68 O ATOM 0 H SER A 79 -17.360 5.976 -6.114 1.00 1.07 H new ATOM 0 HA SER A 79 -17.725 3.177 -6.093 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.163 4.804 -8.577 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.235 3.658 -7.796 1.00 1.31 H new ATOM 0 HG SER A 79 -19.952 5.856 -7.527 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.176 4.167 -7.756 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.036 3.745 -8.551 1.00 0.88 C ATOM 1254 C ALA A 80 -12.821 3.505 -7.660 1.00 0.74 C ATOM 1255 O ALA A 80 -11.695 3.412 -8.144 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.719 4.784 -9.615 1.00 1.02 C ATOM 0 H ALA A 80 -15.068 5.084 -7.323 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.289 2.808 -9.047 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.862 4.453 -10.203 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.581 4.909 -10.270 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.486 5.735 -9.137 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.058 3.394 -6.356 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.983 3.158 -5.389 1.00 0.55 C ATOM 1264 C LEU A 81 -11.685 1.666 -5.266 1.00 0.52 C ATOM 1265 O LEU A 81 -11.188 1.200 -4.239 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.374 3.718 -4.015 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.508 4.869 -3.491 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.052 4.448 -3.389 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.653 6.098 -4.378 1.00 0.75 C ATOM 0 H LEU A 81 -13.987 3.464 -5.941 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.088 3.667 -5.746 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.408 4.060 -4.064 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.341 2.905 -3.290 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.856 5.127 -2.491 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.458 5.282 -3.015 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.964 3.604 -2.705 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.688 4.156 -4.374 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.030 6.903 -3.989 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.338 5.854 -5.392 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.695 6.418 -4.389 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.965 0.928 -6.327 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.741 -0.500 -6.313 1.00 0.62 C ATOM 1283 C GLY A 82 -12.885 -1.227 -5.649 1.00 0.63 C ATOM 1284 O GLY A 82 -12.768 -1.663 -4.504 1.00 0.64 O ATOM 0 H GLY A 82 -12.345 1.294 -7.200 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.621 -0.862 -7.334 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.813 -0.720 -5.786 1.00 0.62 H new ATOM 1288 N MET A 83 -13.999 -1.337 -6.364 1.00 0.84 N ATOM 1289 CA MET A 83 -15.193 -2.003 -5.846 1.00 1.01 C ATOM 1290 C MET A 83 -14.986 -3.513 -5.751 1.00 0.98 C ATOM 1291 O MET A 83 -15.451 -4.279 -6.596 1.00 1.26 O ATOM 1292 CB MET A 83 -16.412 -1.689 -6.725 1.00 1.34 C ATOM 1293 CG MET A 83 -16.083 -1.560 -8.203 1.00 1.54 C ATOM 1294 SD MET A 83 -17.535 -1.696 -9.260 1.00 2.03 S ATOM 1295 CE MET A 83 -17.612 -3.472 -9.480 1.00 2.27 C ATOM 0 H MET A 83 -14.102 -0.971 -7.311 1.00 0.84 H new ATOM 0 HA MET A 83 -15.377 -1.621 -4.842 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.155 -2.476 -6.595 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.867 -0.760 -6.381 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.600 -0.599 -8.380 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.366 -2.333 -8.479 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.462 -3.724 -10.115 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.692 -3.821 -9.950 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.729 -3.954 -8.509 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.259 -3.920 -4.724 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.963 -5.322 -4.476 1.00 0.89 C ATOM 1307 C GLN A 84 -13.368 -5.470 -3.086 1.00 0.84 C ATOM 1308 O GLN A 84 -13.512 -4.577 -2.253 1.00 1.06 O ATOM 1309 CB GLN A 84 -13.002 -5.877 -5.532 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.825 -4.963 -5.839 1.00 0.99 C ATOM 1311 CD GLN A 84 -11.725 -4.629 -7.317 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -10.632 -4.469 -7.857 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -12.866 -4.499 -7.980 1.00 1.38 N ATOM 0 H GLN A 84 -13.855 -3.285 -4.035 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.888 -5.894 -4.538 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.622 -6.840 -5.192 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.556 -6.060 -6.452 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.925 -4.041 -5.266 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.901 -5.442 -5.514 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -13.754 -4.639 -7.499 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -12.855 -4.259 -8.971 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.673 -6.570 -2.842 1.00 0.74 N ATOM 1323 CA ASN A 85 -12.081 -6.811 -1.539 1.00 0.78 C ATOM 1324 C ASN A 85 -10.750 -6.074 -1.365 1.00 0.72 C ATOM 1325 O ASN A 85 -9.700 -6.690 -1.183 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.907 -8.312 -1.283 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.023 -9.007 -2.301 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.043 -8.692 -3.488 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.236 -9.959 -1.831 1.00 1.09 N ATOM 0 H ASN A 85 -12.506 -7.307 -3.528 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.772 -6.412 -0.797 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.483 -8.455 -0.289 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.888 -8.787 -1.282 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.613 -10.464 -2.462 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -10.251 -10.189 -0.837 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.801 -4.750 -1.437 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.611 -3.944 -1.244 1.00 0.57 C ATOM 1338 C GLY A 86 -8.875 -3.606 -2.523 1.00 0.51 C ATOM 1339 O GLY A 86 -8.351 -2.500 -2.650 1.00 0.49 O ATOM 0 H GLY A 86 -11.650 -4.218 -1.627 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.891 -3.017 -0.744 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.932 -4.474 -0.576 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.844 -4.548 -3.465 1.00 0.59 N ATOM 1344 CA CYS A 87 -8.141 -4.365 -4.737 1.00 0.62 C ATOM 1345 C CYS A 87 -6.627 -4.371 -4.496 1.00 0.65 C ATOM 1346 O CYS A 87 -6.154 -4.954 -3.514 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.588 -3.070 -5.438 1.00 0.62 C ATOM 1348 SG CYS A 87 -8.171 -2.989 -7.197 1.00 0.79 S ATOM 0 H CYS A 87 -9.302 -5.454 -3.370 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.393 -5.193 -5.399 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.667 -2.966 -5.328 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -8.132 -2.220 -4.930 1.00 0.62 H new ATOM 0 HG CYS A 87 -9.061 -3.642 -7.884 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.864 -3.741 -5.380 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.412 -3.699 -5.241 1.00 0.77 C ATOM 1356 C ARG A 88 -3.906 -2.265 -5.335 1.00 0.75 C ATOM 1357 O ARG A 88 -4.471 -1.454 -6.067 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.749 -4.557 -6.325 1.00 0.93 C ATOM 1359 CG ARG A 88 -4.304 -5.970 -6.412 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.992 -6.213 -7.746 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.032 -6.327 -8.843 1.00 1.27 N ATOM 1362 CZ ARG A 88 -4.356 -6.242 -10.137 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -5.619 -6.051 -10.502 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -3.413 -6.358 -11.064 1.00 1.74 N ATOM 0 H ARG A 88 -6.224 -3.253 -6.200 1.00 0.69 H new ATOM 0 HA ARG A 88 -4.151 -4.099 -4.261 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.874 -4.067 -7.291 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.678 -4.608 -6.130 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -3.495 -6.689 -6.281 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -5.012 -6.135 -5.600 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.586 -7.125 -7.687 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.683 -5.396 -7.952 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.052 -6.481 -8.606 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.348 -5.968 -9.793 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -5.860 -5.987 -11.491 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -2.443 -6.512 -10.788 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -3.658 -6.293 -12.052 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.853 -1.957 -4.586 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.268 -0.621 -4.599 1.00 0.79 C ATOM 1380 C VAL A 89 -0.744 -0.695 -4.600 1.00 0.92 C ATOM 1381 O VAL A 89 -0.150 -1.520 -3.904 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.732 0.246 -3.403 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -4.190 0.636 -3.546 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.495 -0.466 -2.079 1.00 0.69 C ATOM 0 H VAL A 89 -2.387 -2.615 -3.962 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.618 -0.146 -5.516 1.00 0.79 H new ATOM 0 HB VAL A 89 -2.133 1.157 -3.407 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.489 1.244 -2.692 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.325 1.208 -4.464 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.805 -0.263 -3.584 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.831 0.169 -1.259 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -3.052 -1.403 -2.065 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.431 -0.675 -1.963 1.00 0.69 H new ATOM 1394 N MET A 90 -0.117 0.161 -5.392 1.00 0.97 N ATOM 1395 CA MET A 90 1.336 0.197 -5.480 1.00 1.10 C ATOM 1396 C MET A 90 1.823 1.636 -5.497 1.00 1.14 C ATOM 1397 O MET A 90 1.161 2.520 -6.040 1.00 1.13 O ATOM 1398 CB MET A 90 1.830 -0.544 -6.732 1.00 1.21 C ATOM 1399 CG MET A 90 1.701 0.254 -8.022 1.00 1.49 C ATOM 1400 SD MET A 90 2.329 -0.634 -9.461 1.00 1.66 S ATOM 1401 CE MET A 90 2.136 0.617 -10.731 1.00 2.09 C ATOM 0 H MET A 90 -0.592 0.842 -5.985 1.00 0.97 H new ATOM 0 HA MET A 90 1.743 -0.307 -4.603 1.00 1.10 H new ATOM 0 HB2 MET A 90 2.876 -0.817 -6.590 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.269 -1.473 -6.835 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.653 0.505 -8.185 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.242 1.195 -7.917 1.00 1.49 H new ATOM 0 HE1 MET A 90 2.481 0.222 -11.686 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.085 0.894 -10.812 1.00 2.09 H new ATOM 0 HE3 MET A 90 2.724 1.496 -10.468 1.00 2.09 H new ATOM 1411 N LEU A 91 2.969 1.873 -4.889 1.00 1.21 N ATOM 1412 CA LEU A 91 3.535 3.209 -4.851 1.00 1.27 C ATOM 1413 C LEU A 91 4.968 3.199 -5.363 1.00 1.41 C ATOM 1414 O LEU A 91 5.698 2.220 -5.187 1.00 1.47 O ATOM 1415 CB LEU A 91 3.431 3.847 -3.440 1.00 1.22 C ATOM 1416 CG LEU A 91 4.295 3.274 -2.287 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.210 1.760 -2.204 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.749 3.726 -2.391 1.00 1.42 C ATOM 0 H LEU A 91 3.526 1.161 -4.416 1.00 1.21 H new ATOM 0 HA LEU A 91 2.944 3.838 -5.517 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.675 4.905 -3.539 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.388 3.788 -3.129 1.00 1.22 H new ATOM 0 HG LEU A 91 3.881 3.678 -1.363 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.832 1.405 -1.382 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.176 1.463 -2.032 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.562 1.324 -3.139 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.321 3.303 -1.565 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.170 3.384 -3.337 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.796 4.814 -2.346 1.00 1.42 H new ATOM 1430 N ILE A 92 5.358 4.282 -6.012 1.00 1.50 N ATOM 1431 CA ILE A 92 6.702 4.410 -6.547 1.00 1.65 C ATOM 1432 C ILE A 92 7.512 5.381 -5.697 1.00 1.71 C ATOM 1433 O ILE A 92 7.069 6.496 -5.421 1.00 1.89 O ATOM 1434 CB ILE A 92 6.683 4.892 -8.017 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.828 3.949 -8.873 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.099 4.978 -8.571 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.738 4.354 -10.331 1.00 1.79 C ATOM 0 H ILE A 92 4.759 5.090 -6.182 1.00 1.50 H new ATOM 0 HA ILE A 92 7.167 3.425 -6.520 1.00 1.65 H new ATOM 0 HB ILE A 92 6.242 5.888 -8.049 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.242 2.942 -8.811 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.822 3.907 -8.455 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.065 5.319 -9.606 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.680 5.682 -7.976 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.567 3.994 -8.528 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.117 3.638 -10.870 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.295 5.347 -10.406 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.737 4.368 -10.767 1.00 1.79 H new ATOM 1449 N GLY A 93 8.684 4.941 -5.265 1.00 1.73 N ATOM 1450 CA GLY A 93 9.533 5.781 -4.450 1.00 1.80 C ATOM 1451 C GLY A 93 10.076 5.039 -3.249 1.00 1.84 C ATOM 1452 O GLY A 93 10.289 3.825 -3.308 1.00 1.89 O ATOM 0 H GLY A 93 9.062 4.015 -5.465 1.00 1.73 H new ATOM 0 HA2 GLY A 93 10.362 6.152 -5.052 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.968 6.651 -4.114 1.00 1.80 H new ATOM 1456 N GLU A 94 10.289 5.756 -2.159 1.00 1.88 N ATOM 1457 CA GLU A 94 10.810 5.158 -0.939 1.00 1.97 C ATOM 1458 C GLU A 94 9.696 4.941 0.079 1.00 1.80 C ATOM 1459 O GLU A 94 8.514 5.030 -0.254 1.00 1.84 O ATOM 1460 CB GLU A 94 11.898 6.047 -0.337 1.00 2.22 C ATOM 1461 CG GLU A 94 13.247 5.904 -1.019 1.00 2.66 C ATOM 1462 CD GLU A 94 14.301 6.814 -0.423 1.00 2.63 C ATOM 1463 OE1 GLU A 94 14.208 7.139 0.777 1.00 2.85 O ATOM 1464 OE2 GLU A 94 15.232 7.210 -1.157 1.00 3.03 O ATOM 0 H GLU A 94 10.109 6.758 -2.093 1.00 1.88 H new ATOM 0 HA GLU A 94 11.240 4.189 -1.193 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.579 7.088 -0.396 1.00 2.22 H new ATOM 0 HB3 GLU A 94 12.008 5.807 0.721 1.00 2.22 H new ATOM 0 HG2 GLU A 94 13.581 4.869 -0.943 1.00 2.66 H new ATOM 0 HG3 GLU A 94 13.139 6.126 -2.081 1.00 2.66 H new ATOM 1471 N LYS A 95 10.088 4.638 1.311 1.00 1.82 N ATOM 1472 CA LYS A 95 9.146 4.413 2.397 1.00 1.72 C ATOM 1473 C LYS A 95 9.815 4.717 3.731 1.00 1.77 C ATOM 1474 O LYS A 95 10.907 4.225 4.012 1.00 1.96 O ATOM 1475 CB LYS A 95 8.637 2.968 2.389 1.00 1.81 C ATOM 1476 CG LYS A 95 7.280 2.798 1.716 1.00 1.79 C ATOM 1477 CD LYS A 95 6.590 1.528 2.183 1.00 2.06 C ATOM 1478 CE LYS A 95 5.128 1.492 1.766 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.471 0.224 2.178 1.00 2.38 N ATOM 0 H LYS A 95 11.066 4.542 1.583 1.00 1.82 H new ATOM 0 HA LYS A 95 8.294 5.078 2.257 1.00 1.72 H new ATOM 0 HB2 LYS A 95 9.366 2.338 1.879 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.570 2.610 3.417 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.651 3.660 1.938 1.00 1.79 H new ATOM 0 HG3 LYS A 95 7.409 2.768 0.634 1.00 1.79 H new ATOM 0 HD2 LYS A 95 7.107 0.661 1.771 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.660 1.455 3.268 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.602 2.336 2.211 1.00 2.15 H new ATOM 0 HE3 LYS A 95 5.055 1.605 0.684 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 3.507 0.191 1.790 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.018 -0.584 1.817 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.428 0.177 3.216 1.00 2.38 H new ATOM 1493 N SER A 96 9.171 5.539 4.538 1.00 1.80 N ATOM 1494 CA SER A 96 9.707 5.904 5.838 1.00 1.92 C ATOM 1495 C SER A 96 9.254 4.916 6.907 1.00 1.83 C ATOM 1496 O SER A 96 8.082 4.896 7.293 1.00 1.95 O ATOM 1497 CB SER A 96 9.257 7.316 6.200 1.00 2.15 C ATOM 1498 OG SER A 96 8.848 8.025 5.038 1.00 2.38 O ATOM 0 H SER A 96 8.273 5.968 4.316 1.00 1.80 H new ATOM 0 HA SER A 96 10.795 5.874 5.789 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.434 7.269 6.913 1.00 2.15 H new ATOM 0 HB3 SER A 96 10.072 7.849 6.689 1.00 2.15 H new ATOM 0 HG SER A 96 8.561 8.928 5.290 1.00 2.38 H new ATOM 1504 N ASN A 97 10.178 4.091 7.368 1.00 1.89 N ATOM 1505 CA ASN A 97 9.875 3.109 8.400 1.00 1.93 C ATOM 1506 C ASN A 97 10.964 3.109 9.461 1.00 2.29 C ATOM 1507 O ASN A 97 11.869 2.250 9.396 1.00 2.53 O ATOM 1508 CB ASN A 97 9.722 1.711 7.800 1.00 1.89 C ATOM 1509 CG ASN A 97 9.159 0.706 8.792 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.179 1.120 9.584 1.00 2.24 O flip ATOM 1511 ND2 ASN A 97 9.596 -0.444 8.839 1.00 1.96 N flip ATOM 1512 OXT ASN A 97 10.925 3.991 10.343 1.00 2.61 O ATOM 0 H ASN A 97 11.145 4.080 7.045 1.00 1.89 H new ATOM 0 HA ASN A 97 8.928 3.385 8.863 1.00 1.93 H new ATOM 0 HB2 ASN A 97 9.067 1.763 6.930 1.00 1.89 H new ATOM 0 HB3 ASN A 97 10.693 1.363 7.448 1.00 1.89 H new ATOM 0 HD21 ASN A 97 10.351 -0.729 8.215 1.00 1.96 H new ATOM 0 HD22 ASN A 97 9.203 -1.112 9.502 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 22.195 2.977 7.930 1.00 5.24 N ATOM 1521 CA ARG B 185 21.155 3.952 7.518 1.00 5.09 C ATOM 1522 C ARG B 185 19.784 3.476 7.981 1.00 5.04 C ATOM 1523 O ARG B 185 19.516 2.274 7.997 1.00 4.90 O ATOM 1524 CB ARG B 185 21.152 4.138 5.992 1.00 4.43 C ATOM 1525 CG ARG B 185 21.413 2.853 5.224 1.00 4.00 C ATOM 1526 CD ARG B 185 20.899 2.918 3.791 1.00 3.44 C ATOM 1527 NE ARG B 185 21.607 3.910 2.982 1.00 3.76 N ATOM 1528 CZ ARG B 185 21.997 3.709 1.720 1.00 3.61 C ATOM 1529 NH1 ARG B 185 21.769 2.544 1.118 1.00 3.10 N ATOM 1530 NH2 ARG B 185 22.611 4.679 1.056 1.00 4.24 N ATOM 0 HA ARG B 185 21.382 4.911 7.983 1.00 5.09 H new ATOM 0 HB2 ARG B 185 20.189 4.546 5.686 1.00 4.43 H new ATOM 0 HB3 ARG B 185 21.910 4.874 5.722 1.00 4.43 H new ATOM 0 HG2 ARG B 185 22.484 2.650 5.214 1.00 4.00 H new ATOM 0 HG3 ARG B 185 20.936 2.021 5.741 1.00 4.00 H new ATOM 0 HD2 ARG B 185 21.002 1.937 3.328 1.00 3.44 H new ATOM 0 HD3 ARG B 185 19.835 3.156 3.801 1.00 3.44 H new ATOM 0 HE ARG B 185 21.816 4.813 3.408 1.00 3.76 H new ATOM 0 HH11 ARG B 185 21.293 1.795 1.620 1.00 3.10 H new ATOM 0 HH12 ARG B 185 22.071 2.400 0.154 1.00 3.10 H new ATOM 0 HH21 ARG B 185 22.785 5.576 1.509 1.00 4.24 H new ATOM 0 HH22 ARG B 185 22.910 4.528 0.092 1.00 4.24 H new ATOM 1546 N TYR B 186 18.913 4.407 8.354 1.00 5.30 N ATOM 1547 CA TYR B 186 17.568 4.054 8.812 1.00 5.40 C ATOM 1548 C TYR B 186 16.641 3.800 7.623 1.00 4.76 C ATOM 1549 O TYR B 186 15.574 4.396 7.501 1.00 4.97 O ATOM 1550 CB TYR B 186 16.987 5.140 9.734 1.00 6.21 C ATOM 1551 CG TYR B 186 17.169 6.564 9.242 1.00 6.50 C ATOM 1552 CD1 TYR B 186 16.272 7.130 8.345 1.00 6.39 C ATOM 1553 CD2 TYR B 186 18.232 7.341 9.683 1.00 7.04 C ATOM 1554 CE1 TYR B 186 16.430 8.426 7.899 1.00 6.82 C ATOM 1555 CE2 TYR B 186 18.398 8.640 9.242 1.00 7.46 C ATOM 1556 CZ TYR B 186 17.495 9.179 8.349 1.00 7.36 C ATOM 1557 OH TYR B 186 17.655 10.473 7.905 1.00 7.91 O ATOM 0 H TYR B 186 19.110 5.408 8.350 1.00 5.30 H new ATOM 0 HA TYR B 186 17.645 3.134 9.391 1.00 5.40 H new ATOM 0 HB2 TYR B 186 15.922 4.951 9.867 1.00 6.21 H new ATOM 0 HB3 TYR B 186 17.452 5.049 10.716 1.00 6.21 H new ATOM 0 HD1 TYR B 186 15.436 6.545 7.990 1.00 6.39 H new ATOM 0 HD2 TYR B 186 18.941 6.923 10.382 1.00 7.04 H new ATOM 0 HE1 TYR B 186 15.723 8.849 7.201 1.00 6.82 H new ATOM 0 HE2 TYR B 186 19.231 9.231 9.595 1.00 7.46 H new ATOM 0 HH TYR B 186 18.453 10.864 8.318 1.00 7.91 H new ATOM 1567 N HIS B 187 17.058 2.895 6.753 1.00 4.11 N ATOM 1568 CA HIS B 187 16.288 2.556 5.571 1.00 3.50 C ATOM 1569 C HIS B 187 16.189 1.048 5.410 1.00 2.93 C ATOM 1570 O HIS B 187 17.124 0.400 4.936 1.00 2.65 O ATOM 1571 CB HIS B 187 16.924 3.175 4.326 1.00 3.36 C ATOM 1572 CG HIS B 187 16.296 4.466 3.911 1.00 3.78 C ATOM 1573 ND1 HIS B 187 16.598 5.676 4.495 1.00 4.02 N ATOM 1574 CD2 HIS B 187 15.383 4.733 2.949 1.00 4.34 C ATOM 1575 CE1 HIS B 187 15.896 6.628 3.913 1.00 4.46 C ATOM 1576 NE2 HIS B 187 15.150 6.086 2.969 1.00 4.67 N ATOM 0 H HIS B 187 17.933 2.379 6.846 1.00 4.11 H new ATOM 0 HA HIS B 187 15.283 2.959 5.691 1.00 3.50 H new ATOM 0 HB2 HIS B 187 17.985 3.341 4.515 1.00 3.36 H new ATOM 0 HB3 HIS B 187 16.854 2.465 3.502 1.00 3.36 H new ATOM 0 HD2 HIS B 187 14.922 4.014 2.287 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.926 7.677 4.167 1.00 4.46 H new ATOM 0 HE2 HIS B 187 14.508 6.588 2.356 1.00 4.67 H new ATOM 1585 N ARG B 188 15.061 0.498 5.832 1.00 2.96 N ATOM 1586 CA ARG B 188 14.815 -0.933 5.732 1.00 2.79 C ATOM 1587 C ARG B 188 14.745 -1.350 4.263 1.00 2.14 C ATOM 1588 O ARG B 188 13.774 -1.032 3.573 1.00 1.99 O ATOM 1589 CB ARG B 188 13.515 -1.286 6.464 1.00 3.34 C ATOM 1590 CG ARG B 188 13.108 -2.748 6.347 1.00 3.55 C ATOM 1591 CD ARG B 188 11.700 -2.887 5.789 1.00 3.79 C ATOM 1592 NE ARG B 188 11.597 -2.328 4.442 1.00 3.55 N ATOM 1593 CZ ARG B 188 10.460 -2.162 3.773 1.00 3.89 C ATOM 1594 NH1 ARG B 188 9.297 -2.512 4.314 1.00 4.48 N ATOM 1595 NH2 ARG B 188 10.486 -1.640 2.554 1.00 4.04 N ATOM 0 H ARG B 188 14.295 1.026 6.251 1.00 2.96 H new ATOM 0 HA ARG B 188 15.635 -1.476 6.201 1.00 2.79 H new ATOM 0 HB2 ARG B 188 13.626 -1.035 7.519 1.00 3.34 H new ATOM 0 HB3 ARG B 188 12.710 -0.664 6.071 1.00 3.34 H new ATOM 0 HG2 ARG B 188 13.811 -3.273 5.700 1.00 3.55 H new ATOM 0 HG3 ARG B 188 13.161 -3.222 7.327 1.00 3.55 H new ATOM 0 HD2 ARG B 188 11.418 -3.940 5.769 1.00 3.79 H new ATOM 0 HD3 ARG B 188 10.995 -2.381 6.448 1.00 3.79 H new ATOM 0 HE ARG B 188 12.462 -2.044 3.981 1.00 3.55 H new ATOM 0 HH11 ARG B 188 9.271 -2.912 5.252 1.00 4.48 H new ATOM 0 HH12 ARG B 188 8.431 -2.380 3.791 1.00 4.48 H new ATOM 0 HH21 ARG B 188 11.375 -1.368 2.134 1.00 4.04 H new ATOM 0 HH22 ARG B 188 9.617 -1.510 2.036 1.00 4.04 H new ATOM 1609 N ARG B 189 15.780 -2.050 3.800 1.00 2.02 N ATOM 1610 CA ARG B 189 15.869 -2.512 2.413 1.00 1.77 C ATOM 1611 C ARG B 189 15.913 -1.332 1.445 1.00 1.33 C ATOM 1612 O ARG B 189 14.904 -0.959 0.845 1.00 1.67 O ATOM 1613 CB ARG B 189 14.712 -3.455 2.059 1.00 2.37 C ATOM 1614 CG ARG B 189 14.937 -4.882 2.526 1.00 3.12 C ATOM 1615 CD ARG B 189 13.775 -5.391 3.355 1.00 3.82 C ATOM 1616 NE ARG B 189 12.558 -5.558 2.566 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.362 -5.828 3.085 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.221 -5.982 4.400 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.310 -5.966 2.288 1.00 5.48 N ATOM 0 H ARG B 189 16.581 -2.313 4.375 1.00 2.02 H new ATOM 0 HA ARG B 189 16.799 -3.072 2.316 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.793 -3.075 2.505 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.567 -3.452 0.979 1.00 2.37 H new ATOM 0 HG2 ARG B 189 15.078 -5.530 1.661 1.00 3.12 H new ATOM 0 HG3 ARG B 189 15.853 -4.932 3.114 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.045 -6.345 3.807 1.00 3.82 H new ATOM 0 HD3 ARG B 189 13.583 -4.695 4.171 1.00 3.82 H new ATOM 0 HE ARG B 189 12.628 -5.462 1.553 1.00 4.33 H new ATOM 0 HH11 ARG B 189 12.031 -5.893 5.014 1.00 4.91 H new ATOM 0 HH12 ARG B 189 10.303 -6.189 4.794 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.418 -5.865 1.279 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.393 -6.173 2.685 1.00 5.48 H new ATOM 1633 N GLY B 190 17.090 -0.738 1.326 1.00 1.17 N ATOM 1634 CA GLY B 190 17.277 0.390 0.437 1.00 1.54 C ATOM 1635 C GLY B 190 18.624 0.331 -0.246 1.00 1.70 C ATOM 1636 O GLY B 190 19.647 0.656 0.358 1.00 1.97 O ATOM 0 H GLY B 190 17.928 -1.020 1.835 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.486 0.400 -0.313 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.193 1.319 1.001 1.00 1.54 H new ATOM 1640 N GLY B 191 18.634 -0.116 -1.493 1.00 1.91 N ATOM 1641 CA GLY B 191 19.876 -0.228 -2.230 1.00 2.36 C ATOM 1642 C GLY B 191 20.550 -1.560 -1.980 1.00 2.17 C ATOM 1643 O GLY B 191 20.907 -2.275 -2.916 1.00 2.71 O ATOM 0 H GLY B 191 17.802 -0.404 -2.009 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.680 -0.113 -3.296 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.547 0.581 -1.940 1.00 2.36 H new ATOM 1647 N TYR B 192 20.712 -1.896 -0.711 1.00 1.71 N ATOM 1648 CA TYR B 192 21.327 -3.150 -0.320 1.00 1.86 C ATOM 1649 C TYR B 192 20.586 -3.726 0.880 1.00 1.87 C ATOM 1650 O TYR B 192 19.437 -3.359 1.126 1.00 2.21 O ATOM 1651 CB TYR B 192 22.810 -2.950 0.005 1.00 1.91 C ATOM 1652 CG TYR B 192 23.700 -4.044 -0.548 1.00 2.45 C ATOM 1653 CD1 TYR B 192 24.093 -4.035 -1.879 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.143 -5.085 0.260 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.902 -5.032 -2.391 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.952 -6.085 -0.243 1.00 3.41 C ATOM 1657 CZ TYR B 192 25.328 -6.055 -1.570 1.00 3.77 C ATOM 1658 OH TYR B 192 26.134 -7.051 -2.076 1.00 4.48 O ATOM 0 H TYR B 192 20.422 -1.310 0.072 1.00 1.71 H new ATOM 0 HA TYR B 192 21.261 -3.852 -1.151 1.00 1.86 H new ATOM 0 HB2 TYR B 192 23.136 -1.990 -0.395 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.934 -2.903 1.087 1.00 1.91 H new ATOM 0 HD1 TYR B 192 23.761 -3.236 -2.525 1.00 2.95 H new ATOM 0 HD2 TYR B 192 23.849 -5.112 1.299 1.00 2.80 H new ATOM 0 HE1 TYR B 192 25.199 -5.010 -3.429 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.288 -6.886 0.399 1.00 3.41 H new ATOM 0 HH TYR B 192 26.345 -7.693 -1.366 1.00 4.48 H new ATOM 1668 N ASP B 193 21.255 -4.608 1.622 1.00 2.08 N ATOM 1669 CA ASP B 193 20.672 -5.270 2.797 1.00 2.57 C ATOM 1670 C ASP B 193 19.890 -4.303 3.680 1.00 2.39 C ATOM 1671 O ASP B 193 18.697 -4.498 3.919 1.00 2.59 O ATOM 1672 CB ASP B 193 21.762 -5.951 3.626 1.00 3.18 C ATOM 1673 CG ASP B 193 21.196 -6.673 4.829 1.00 3.84 C ATOM 1674 OD1 ASP B 193 20.386 -7.602 4.638 1.00 4.22 O ATOM 1675 OD2 ASP B 193 21.558 -6.315 5.969 1.00 4.14 O ATOM 0 H ASP B 193 22.217 -4.886 1.428 1.00 2.08 H new ATOM 0 HA ASP B 193 19.974 -6.018 2.421 1.00 2.57 H new ATOM 0 HB2 ASP B 193 22.303 -6.660 3.000 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.483 -5.205 3.958 1.00 3.18 H new ATOM 1680 N VAL B 194 20.559 -3.263 4.155 1.00 2.39 N ATOM 1681 CA VAL B 194 19.924 -2.266 5.008 1.00 2.62 C ATOM 1682 C VAL B 194 20.886 -1.112 5.286 1.00 2.80 C ATOM 1683 O VAL B 194 20.464 0.008 5.574 1.00 3.15 O ATOM 1684 CB VAL B 194 19.421 -2.875 6.347 1.00 3.43 C ATOM 1685 CG1 VAL B 194 20.579 -3.301 7.234 1.00 3.97 C ATOM 1686 CG2 VAL B 194 18.516 -1.896 7.081 1.00 3.78 C ATOM 0 H VAL B 194 21.545 -3.086 3.964 1.00 2.39 H new ATOM 0 HA VAL B 194 19.054 -1.890 4.470 1.00 2.62 H new ATOM 0 HB VAL B 194 18.841 -3.766 6.105 1.00 3.43 H new ATOM 0 HG11 VAL B 194 20.191 -3.722 8.161 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.177 -4.052 6.717 1.00 3.97 H new ATOM 0 HG13 VAL B 194 21.201 -2.435 7.461 1.00 3.97 H new ATOM 0 HG21 VAL B 194 18.177 -2.344 8.015 1.00 3.78 H new ATOM 0 HG22 VAL B 194 19.069 -0.982 7.297 1.00 3.78 H new ATOM 0 HG23 VAL B 194 17.654 -1.660 6.457 1.00 3.78 H new ATOM 1696 N GLU B 195 22.181 -1.387 5.187 1.00 2.75 N ATOM 1697 CA GLU B 195 23.193 -0.368 5.424 1.00 3.12 C ATOM 1698 C GLU B 195 23.503 0.401 4.143 1.00 2.88 C ATOM 1699 O GLU B 195 22.956 0.104 3.077 1.00 2.39 O ATOM 1700 CB GLU B 195 24.465 -1.000 5.993 1.00 3.40 C ATOM 1701 CG GLU B 195 24.868 -0.438 7.350 1.00 4.16 C ATOM 1702 CD GLU B 195 25.295 1.017 7.281 1.00 4.65 C ATOM 1703 OE1 GLU B 195 24.437 1.885 7.008 1.00 5.02 O ATOM 1704 OE2 GLU B 195 26.492 1.297 7.494 1.00 4.87 O ATOM 0 H GLU B 195 22.553 -2.305 4.945 1.00 2.75 H new ATOM 0 HA GLU B 195 22.800 0.338 6.155 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.317 -2.076 6.084 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.283 -0.849 5.289 1.00 3.40 H new ATOM 0 HG2 GLU B 195 24.030 -0.534 8.041 1.00 4.16 H new ATOM 0 HG3 GLU B 195 25.686 -1.033 7.756 1.00 4.16 H new ATOM 1711 N ASN B 196 24.361 1.408 4.267 1.00 3.43 N ATOM 1712 CA ASN B 196 24.761 2.242 3.137 1.00 3.64 C ATOM 1713 C ASN B 196 25.470 1.409 2.076 1.00 3.41 C ATOM 1714 O ASN B 196 25.171 1.533 0.886 1.00 3.56 O ATOM 1715 CB ASN B 196 25.671 3.378 3.618 1.00 4.47 C ATOM 1716 CG ASN B 196 25.948 4.417 2.544 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.184 5.370 2.371 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.049 4.258 1.829 1.00 5.14 N ATOM 0 H ASN B 196 24.798 1.669 5.151 1.00 3.43 H new ATOM 0 HA ASN B 196 23.865 2.672 2.690 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.210 3.866 4.476 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.617 2.958 3.960 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.290 4.936 1.106 1.00 5.14 H new ATOM 0 HD22 ASN B 196 27.657 3.457 2.000 1.00 5.14 H new ATOM 1725 N GLU B 197 26.398 0.562 2.530 1.00 3.29 N ATOM 1726 CA GLU B 197 27.178 -0.321 1.660 1.00 3.26 C ATOM 1727 C GLU B 197 28.198 0.464 0.834 1.00 3.82 C ATOM 1728 O GLU B 197 28.002 1.644 0.523 1.00 4.30 O ATOM 1729 CB GLU B 197 26.263 -1.143 0.749 1.00 2.93 C ATOM 1730 CG GLU B 197 26.538 -2.635 0.796 1.00 3.10 C ATOM 1731 CD GLU B 197 27.739 -3.032 -0.030 1.00 3.38 C ATOM 1732 OE1 GLU B 197 28.874 -2.949 0.486 1.00 3.60 O ATOM 1733 OE2 GLU B 197 27.558 -3.435 -1.193 1.00 3.83 O ATOM 0 H GLU B 197 26.630 0.470 3.519 1.00 3.29 H new ATOM 0 HA GLU B 197 27.728 -1.009 2.303 1.00 3.26 H new ATOM 0 HB2 GLU B 197 25.226 -0.964 1.033 1.00 2.93 H new ATOM 0 HB3 GLU B 197 26.377 -0.793 -0.277 1.00 2.93 H new ATOM 0 HG2 GLU B 197 26.697 -2.939 1.831 1.00 3.10 H new ATOM 0 HG3 GLU B 197 25.661 -3.174 0.437 1.00 3.10 H new ATOM 1740 N GLU B 198 29.289 -0.197 0.482 1.00 3.91 N ATOM 1741 CA GLU B 198 30.345 0.435 -0.294 1.00 4.52 C ATOM 1742 C GLU B 198 30.377 -0.107 -1.717 1.00 4.64 C ATOM 1743 O GLU B 198 30.661 0.629 -2.664 1.00 5.16 O ATOM 1744 CB GLU B 198 31.694 0.211 0.385 1.00 4.90 C ATOM 1745 CG GLU B 198 32.424 1.500 0.721 1.00 5.36 C ATOM 1746 CD GLU B 198 33.213 2.046 -0.450 1.00 5.99 C ATOM 1747 OE1 GLU B 198 32.640 2.807 -1.260 1.00 6.45 O ATOM 1748 OE2 GLU B 198 34.415 1.720 -0.566 1.00 6.25 O ATOM 0 H GLU B 198 29.467 -1.172 0.721 1.00 3.91 H new ATOM 0 HA GLU B 198 30.141 1.505 -0.344 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.541 -0.360 1.301 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.324 -0.395 -0.267 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.701 2.248 1.047 1.00 5.36 H new ATOM 0 HG3 GLU B 198 33.099 1.323 1.558 1.00 5.36 H new ATOM 1755 N LYS B 199 30.073 -1.390 -1.867 1.00 4.32 N ATOM 1756 CA LYS B 199 30.082 -2.019 -3.181 1.00 4.64 C ATOM 1757 C LYS B 199 28.842 -1.626 -3.971 1.00 4.89 C ATOM 1758 O LYS B 199 28.945 -0.996 -5.027 1.00 5.53 O ATOM 1759 CB LYS B 199 30.163 -3.543 -3.053 1.00 4.38 C ATOM 1760 CG LYS B 199 31.215 -4.017 -2.064 1.00 4.54 C ATOM 1761 CD LYS B 199 31.451 -5.512 -2.175 1.00 4.53 C ATOM 1762 CE LYS B 199 32.250 -6.042 -0.993 1.00 4.41 C ATOM 1763 NZ LYS B 199 33.529 -5.311 -0.803 1.00 4.56 N ATOM 0 H LYS B 199 29.819 -2.012 -1.100 1.00 4.32 H new ATOM 0 HA LYS B 199 30.964 -1.669 -3.717 1.00 4.64 H new ATOM 0 HB2 LYS B 199 29.190 -3.925 -2.746 1.00 4.38 H new ATOM 0 HB3 LYS B 199 30.379 -3.970 -4.032 1.00 4.38 H new ATOM 0 HG2 LYS B 199 32.150 -3.486 -2.244 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.899 -3.772 -1.050 1.00 4.54 H new ATOM 0 HD2 LYS B 199 30.493 -6.029 -2.229 1.00 4.53 H new ATOM 0 HD3 LYS B 199 31.983 -5.729 -3.101 1.00 4.53 H new ATOM 0 HE2 LYS B 199 31.650 -5.961 -0.087 1.00 4.41 H new ATOM 0 HE3 LYS B 199 32.459 -7.101 -1.144 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 34.098 -5.791 -0.077 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 34.055 -5.293 -1.700 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 33.330 -4.337 -0.499 1.00 4.56 H new ATOM 1777 N VAL B 200 27.672 -1.984 -3.439 1.00 4.46 N ATOM 1778 CA VAL B 200 26.392 -1.682 -4.078 1.00 4.74 C ATOM 1779 C VAL B 200 26.375 -2.207 -5.515 1.00 5.32 C ATOM 1780 O VAL B 200 26.124 -1.468 -6.468 1.00 5.99 O ATOM 1781 CB VAL B 200 26.082 -0.163 -4.065 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.601 0.084 -4.301 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.516 0.472 -2.752 1.00 4.96 C ATOM 0 H VAL B 200 27.586 -2.489 -2.557 1.00 4.46 H new ATOM 0 HA VAL B 200 25.616 -2.185 -3.501 1.00 4.74 H new ATOM 0 HB VAL B 200 26.648 0.300 -4.874 1.00 5.22 H new ATOM 0 HG11 VAL B 200 24.404 1.156 -4.288 1.00 5.43 H new ATOM 0 HG12 VAL B 200 24.313 -0.326 -5.269 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.022 -0.401 -3.515 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.287 1.538 -2.770 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.984 0.000 -1.926 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.589 0.334 -2.618 1.00 4.96 H new ATOM 1793 N LYS B 201 26.652 -3.494 -5.663 1.00 5.18 N ATOM 1794 CA LYS B 201 26.683 -4.123 -6.976 1.00 5.84 C ATOM 1795 C LYS B 201 25.708 -5.291 -7.046 1.00 5.78 C ATOM 1796 O LYS B 201 25.825 -6.153 -7.914 1.00 6.37 O ATOM 1797 CB LYS B 201 28.099 -4.615 -7.290 1.00 6.17 C ATOM 1798 CG LYS B 201 28.576 -5.737 -6.371 1.00 5.81 C ATOM 1799 CD LYS B 201 29.913 -6.306 -6.821 1.00 6.12 C ATOM 1800 CE LYS B 201 29.790 -7.110 -8.109 1.00 6.82 C ATOM 1801 NZ LYS B 201 28.906 -8.299 -7.949 1.00 7.02 N ATOM 0 H LYS B 201 26.859 -4.125 -4.889 1.00 5.18 H new ATOM 0 HA LYS B 201 26.385 -3.379 -7.714 1.00 5.84 H new ATOM 0 HB2 LYS B 201 28.133 -4.964 -8.322 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.791 -3.776 -7.214 1.00 6.17 H new ATOM 0 HG2 LYS B 201 28.666 -5.359 -5.353 1.00 5.81 H new ATOM 0 HG3 LYS B 201 27.831 -6.532 -6.351 1.00 5.81 H new ATOM 0 HD2 LYS B 201 30.622 -5.491 -6.969 1.00 6.12 H new ATOM 0 HD3 LYS B 201 30.319 -6.942 -6.034 1.00 6.12 H new ATOM 0 HE2 LYS B 201 29.396 -6.470 -8.898 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.780 -7.436 -8.428 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 29.060 -8.955 -8.741 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 29.129 -8.779 -7.054 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 27.912 -7.994 -7.940 1.00 7.02 H new ATOM 1815 N LEU B 202 24.751 -5.315 -6.131 1.00 5.18 N ATOM 1816 CA LEU B 202 23.769 -6.390 -6.085 1.00 5.23 C ATOM 1817 C LEU B 202 22.453 -5.901 -5.497 1.00 4.95 C ATOM 1818 O LEU B 202 22.298 -5.826 -4.278 1.00 4.37 O ATOM 1819 CB LEU B 202 24.296 -7.564 -5.252 1.00 4.91 C ATOM 1820 CG LEU B 202 25.249 -8.513 -5.984 1.00 5.32 C ATOM 1821 CD1 LEU B 202 26.043 -9.346 -4.991 1.00 5.10 C ATOM 1822 CD2 LEU B 202 24.478 -9.417 -6.939 1.00 6.12 C ATOM 0 H LEU B 202 24.633 -4.603 -5.410 1.00 5.18 H new ATOM 0 HA LEU B 202 23.594 -6.724 -7.108 1.00 5.23 H new ATOM 0 HB2 LEU B 202 24.809 -7.165 -4.377 1.00 4.91 H new ATOM 0 HB3 LEU B 202 23.445 -8.140 -4.888 1.00 4.91 H new ATOM 0 HG LEU B 202 25.948 -7.912 -6.566 1.00 5.32 H new ATOM 0 HD11 LEU B 202 26.714 -10.014 -5.531 1.00 5.10 H new ATOM 0 HD12 LEU B 202 26.627 -8.687 -4.348 1.00 5.10 H new ATOM 0 HD13 LEU B 202 25.358 -9.935 -4.381 1.00 5.10 H new ATOM 0 HD21 LEU B 202 25.173 -10.084 -7.450 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.755 -10.008 -6.377 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.954 -8.807 -7.675 1.00 6.12 H new ATOM 1834 N GLY B 203 21.506 -5.587 -6.367 1.00 5.44 N ATOM 1835 CA GLY B 203 20.212 -5.108 -5.920 1.00 5.30 C ATOM 1836 C GLY B 203 19.303 -6.236 -5.466 1.00 5.32 C ATOM 1837 O GLY B 203 18.128 -6.283 -5.828 1.00 5.33 O ATOM 0 H GLY B 203 21.610 -5.655 -7.379 1.00 5.44 H new ATOM 0 HA2 GLY B 203 20.352 -4.405 -5.099 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.730 -4.561 -6.730 1.00 5.30 H new ATOM 1841 N MET B 204 19.849 -7.141 -4.665 1.00 5.45 N ATOM 1842 CA MET B 204 19.096 -8.281 -4.154 1.00 5.69 C ATOM 1843 C MET B 204 18.172 -7.841 -3.026 1.00 5.11 C ATOM 1844 O MET B 204 17.082 -8.386 -2.850 1.00 5.36 O ATOM 1845 CB MET B 204 20.049 -9.381 -3.664 1.00 6.02 C ATOM 1846 CG MET B 204 21.006 -8.934 -2.563 1.00 5.50 C ATOM 1847 SD MET B 204 21.868 -10.308 -1.774 1.00 6.01 S ATOM 1848 CE MET B 204 23.011 -10.785 -3.070 1.00 6.67 C ATOM 0 H MET B 204 20.819 -7.108 -4.352 1.00 5.45 H new ATOM 0 HA MET B 204 18.490 -8.686 -4.965 1.00 5.69 H new ATOM 0 HB2 MET B 204 19.459 -10.221 -3.298 1.00 6.02 H new ATOM 0 HB3 MET B 204 20.631 -9.745 -4.510 1.00 6.02 H new ATOM 0 HG2 MET B 204 21.740 -8.247 -2.984 1.00 5.50 H new ATOM 0 HG3 MET B 204 20.448 -8.381 -1.807 1.00 5.50 H new ATOM 0 HE1 MET B 204 22.813 -11.814 -3.369 1.00 6.67 H new ATOM 0 HE2 MET B 204 22.883 -10.126 -3.929 1.00 6.67 H new ATOM 0 HE3 MET B 204 24.033 -10.705 -2.701 1.00 6.67 H new ATOM 1858 N THR B 205 18.614 -6.847 -2.273 1.00 4.40 N ATOM 1859 CA THR B 205 17.839 -6.315 -1.165 1.00 3.86 C ATOM 1860 C THR B 205 17.487 -4.851 -1.418 1.00 3.22 C ATOM 1861 O THR B 205 17.255 -4.089 -0.486 1.00 2.61 O ATOM 1862 CB THR B 205 18.627 -6.426 0.154 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.784 -7.258 -0.035 1.00 3.95 O ATOM 1864 CG2 THR B 205 17.760 -7.005 1.260 1.00 4.16 C ATOM 0 H THR B 205 19.515 -6.389 -2.412 1.00 4.40 H new ATOM 0 HA THR B 205 16.923 -6.901 -1.084 1.00 3.86 H new ATOM 0 HB THR B 205 18.940 -5.424 0.448 1.00 3.67 H new ATOM 0 HG1 THR B 205 20.098 -7.585 0.834 1.00 3.95 H new ATOM 0 HG21 THR B 205 18.341 -7.073 2.180 1.00 4.16 H new ATOM 0 HG22 THR B 205 16.897 -6.359 1.422 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.419 -8.000 0.972 1.00 4.16 H new ATOM 1872 N ASN B 206 17.443 -4.472 -2.694 1.00 3.55 N ATOM 1873 CA ASN B 206 17.127 -3.097 -3.082 1.00 3.31 C ATOM 1874 C ASN B 206 15.747 -2.696 -2.575 1.00 3.04 C ATOM 1875 O ASN B 206 15.503 -1.535 -2.250 1.00 2.62 O ATOM 1876 CB ASN B 206 17.196 -2.949 -4.606 1.00 4.07 C ATOM 1877 CG ASN B 206 16.726 -1.589 -5.089 1.00 4.18 C ATOM 1878 OD1 ASN B 206 15.582 -1.429 -5.511 1.00 4.40 O ATOM 1879 ND2 ASN B 206 17.608 -0.605 -5.045 1.00 4.21 N ATOM 0 H ASN B 206 17.622 -5.099 -3.479 1.00 3.55 H new ATOM 0 HA ASN B 206 17.864 -2.434 -2.629 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.222 -3.111 -4.936 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.586 -3.724 -5.069 1.00 4.07 H new ATOM 0 HD21 ASN B 206 17.349 0.327 -5.368 1.00 4.21 H new ATOM 0 HD22 ASN B 206 18.548 -0.778 -4.688 1.00 4.21 H new ATOM 1886 N SER B 207 14.851 -3.670 -2.520 1.00 3.47 N ATOM 1887 CA SER B 207 13.492 -3.449 -2.041 1.00 3.42 C ATOM 1888 C SER B 207 12.928 -4.740 -1.453 1.00 3.82 C ATOM 1889 O SER B 207 12.120 -4.715 -0.518 1.00 4.01 O ATOM 1890 CB SER B 207 12.594 -2.943 -3.174 1.00 3.85 C ATOM 1891 OG SER B 207 13.054 -1.700 -3.677 1.00 3.99 O ATOM 0 H SER B 207 15.042 -4.631 -2.804 1.00 3.47 H new ATOM 0 HA SER B 207 13.519 -2.688 -1.261 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.571 -3.678 -3.979 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.572 -2.836 -2.811 1.00 3.85 H new ATOM 0 HG SER B 207 13.826 -1.849 -4.262 1.00 3.99 H new ATOM 1897 N HIS B 208 13.358 -5.866 -2.007 1.00 4.12 N ATOM 1898 CA HIS B 208 12.914 -7.167 -1.537 1.00 4.71 C ATOM 1899 C HIS B 208 13.488 -7.450 -0.158 1.00 4.82 C ATOM 1900 O HIS B 208 12.706 -7.750 0.764 1.00 5.20 O ATOM 1901 CB HIS B 208 13.333 -8.272 -2.514 1.00 5.42 C ATOM 1902 CG HIS B 208 13.062 -9.659 -2.007 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.826 -10.068 -1.557 1.00 6.30 N ATOM 1904 CD2 HIS B 208 13.882 -10.729 -1.864 1.00 6.75 C ATOM 1905 CE1 HIS B 208 11.897 -11.324 -1.162 1.00 6.95 C ATOM 1906 NE2 HIS B 208 13.132 -11.749 -1.335 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.722 -7.375 -0.006 1.00 4.71 O ATOM 0 H HIS B 208 14.016 -5.902 -2.785 1.00 4.12 H new ATOM 0 HA HIS B 208 11.826 -7.154 -1.476 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.806 -8.130 -3.457 1.00 5.42 H new ATOM 0 HB3 HIS B 208 14.398 -8.173 -2.726 1.00 5.42 H new ATOM 0 HD1 HIS B 208 10.986 -9.489 -1.533 1.00 6.30 H new ATOM 0 HD2 HIS B 208 14.931 -10.771 -2.119 1.00 6.75 H new ATOM 0 HE1 HIS B 208 11.080 -11.907 -0.763 1.00 6.95 H new TER 1916 HIS B 208