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 X(o=0.47,f=0.22) USER MOD Set 1.2: B 207 SER OG : rot 1:sc= 0.469 USER MOD Set 2.1: A 55 THR OG1 : rot 48:sc= 0.491 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -171:sc= 1.16 (180deg=-0.239) USER MOD Set 3.1: A 69 LYS NZ :NH3+ 165:sc= 0.149 (180deg=-1.46) USER MOD Set 3.2: A 76 THR OG1 : rot -160:sc= 0.986 USER MOD Set 4.1: A 39 ASN : amide:sc= 0.555 K(o=1,f=-4.5!) USER MOD Set 4.2: A 40 SER OG : rot 70:sc= 0.479 USER MOD Set 5.1: A 26 ASN : amide:sc= -0.1 K(o=0.84,f=-0.4) USER MOD Set 5.2: B 208 HIS : no HE2:sc= 0.94 K(o=0.84,f=-6.6!) USER MOD Set 6.1: A 10 THR OG1 : rot 65:sc= -0.342 USER MOD Set 6.2: A 19 SER OG : rot 173:sc= 1.24 USER MOD Set 7.1: A 4 THR OG1 : rot -40:sc= 0.731 USER MOD Set 7.2: A 84 GLN : amide:sc= 0.68 K(o=2.1,f=0.37) USER MOD Set 7.3: A 87 CYS SG : rot 83:sc= 0.664 USER MOD Set 8.1: A 3 LYS NZ :NH3+ 173:sc= 2.12 (180deg=0.671) USER MOD Set 8.2: A 9 GLN : amide:sc= 1.01 K(o=3.1,f=-3.8) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.046 (180deg=-0.38) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.118 (180deg=-0.141) USER MOD Single : A 7 MET CE :methyl 162:sc= -0.0512 (180deg=-0.399) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -128:sc= 0.00198 USER MOD Single : A 23 THR OG1 : rot 63:sc= 0.0839 USER MOD Single : A 24 HIS : no HE2:sc= 0.252 K(o=1.4,f=-9.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.942 USER MOD Single : A 36 GLN : amide:sc= -1.31 K(o=-1.3,f=-6.1!) USER MOD Single : A 37 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.58) USER MOD Single : A 45 GLN : amide:sc= -0.0862 K(o=-0.086,f=-5!) USER MOD Single : A 49 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.029) USER MOD Single : A 62 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.14) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 0.118 (180deg=-0.788!) USER MOD Single : A 74 MET CE :methyl -178:sc= 0 (180deg=-0.00643) USER MOD Single : A 79 SER OG : rot -25:sc= 1.28 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.6!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HE2:sc= 0.605 K(o=0.6,f=-6.2!) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.1!) USER MOD Single : B 199 LYS NZ :NH3+ -165:sc=-0.00334 (180deg=-0.117) USER MOD Single : B 201 LYS NZ :NH3+ -163:sc= -0.0532 (180deg=-0.317) USER MOD Single : B 204 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 205 THR OG1 : rot -72:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.563 -13.902 -9.622 1.00 1.79 N ATOM 2 CA MET A 1 -4.199 -12.545 -9.153 1.00 1.50 C ATOM 3 C MET A 1 -5.390 -11.591 -9.249 1.00 1.45 C ATOM 4 O MET A 1 -5.282 -10.411 -8.909 1.00 2.06 O ATOM 5 CB MET A 1 -3.016 -11.999 -9.959 1.00 1.78 C ATOM 6 CG MET A 1 -3.346 -11.678 -11.410 1.00 2.07 C ATOM 7 SD MET A 1 -1.900 -11.151 -12.353 1.00 2.89 S ATOM 8 CE MET A 1 -1.489 -9.618 -11.523 1.00 2.97 C ATOM 0 H1 MET A 1 -3.720 -14.511 -9.610 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.289 -14.303 -8.995 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.936 -13.846 -10.591 1.00 1.79 H new ATOM 0 HA MET A 1 -3.907 -12.619 -8.106 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.646 -11.096 -9.474 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.206 -12.729 -9.935 1.00 1.78 H new ATOM 0 HG2 MET A 1 -3.782 -12.558 -11.883 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.101 -10.893 -11.441 1.00 2.07 H new ATOM 0 HE1 MET A 1 -0.812 -9.036 -12.148 1.00 2.97 H new ATOM 0 HE2 MET A 1 -2.399 -9.046 -11.344 1.00 2.97 H new ATOM 0 HE3 MET A 1 -1.005 -9.838 -10.571 1.00 2.97 H new ATOM 20 N ALA A 2 -6.529 -12.104 -9.705 1.00 1.41 N ATOM 21 CA ALA A 2 -7.736 -11.298 -9.835 1.00 1.47 C ATOM 22 C ALA A 2 -8.434 -11.173 -8.487 1.00 1.31 C ATOM 23 O ALA A 2 -9.412 -11.870 -8.206 1.00 1.40 O ATOM 24 CB ALA A 2 -8.674 -11.896 -10.876 1.00 1.83 C ATOM 0 H ALA A 2 -6.640 -13.077 -9.991 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.452 -10.301 -10.171 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.569 -11.279 -10.957 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.170 -11.933 -11.842 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.956 -12.905 -10.575 1.00 1.83 H new ATOM 30 N LYS A 3 -7.915 -10.279 -7.654 1.00 1.21 N ATOM 31 CA LYS A 3 -8.459 -10.055 -6.319 1.00 1.10 C ATOM 32 C LYS A 3 -9.760 -9.256 -6.366 1.00 1.05 C ATOM 33 O LYS A 3 -9.915 -8.259 -5.663 1.00 1.21 O ATOM 34 CB LYS A 3 -7.434 -9.325 -5.451 1.00 1.11 C ATOM 35 CG LYS A 3 -6.257 -10.192 -5.040 1.00 1.22 C ATOM 36 CD LYS A 3 -5.378 -9.493 -4.016 1.00 1.18 C ATOM 37 CE LYS A 3 -6.066 -9.373 -2.660 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.355 -10.704 -2.067 1.00 1.47 N ATOM 0 H LYS A 3 -7.112 -9.693 -7.882 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.680 -11.030 -5.884 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -7.062 -8.457 -5.995 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.930 -8.951 -4.555 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -6.623 -11.131 -4.625 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -5.664 -10.442 -5.920 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -4.445 -10.045 -3.902 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.118 -8.499 -4.380 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.433 -8.802 -1.981 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -6.996 -8.816 -2.773 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.713 -10.582 -1.098 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.071 -11.192 -2.642 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.483 -11.271 -2.045 1.00 1.47 H new ATOM 52 N THR A 4 -10.686 -9.702 -7.195 1.00 1.06 N ATOM 53 CA THR A 4 -11.975 -9.049 -7.341 1.00 1.06 C ATOM 54 C THR A 4 -13.099 -10.027 -7.011 1.00 1.13 C ATOM 55 O THR A 4 -14.224 -9.628 -6.702 1.00 1.27 O ATOM 56 CB THR A 4 -12.159 -8.514 -8.781 1.00 1.12 C ATOM 57 OG1 THR A 4 -10.973 -7.820 -9.195 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.350 -7.574 -8.878 1.00 1.23 C ATOM 0 H THR A 4 -10.567 -10.525 -7.785 1.00 1.06 H new ATOM 0 HA THR A 4 -12.011 -8.208 -6.648 1.00 1.06 H new ATOM 0 HB THR A 4 -12.342 -9.367 -9.434 1.00 1.12 H new ATOM 0 HG1 THR A 4 -10.627 -7.288 -8.448 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.449 -7.217 -9.903 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.257 -8.105 -8.589 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.199 -6.725 -8.212 1.00 1.23 H new ATOM 66 N GLU A 5 -12.774 -11.315 -7.052 1.00 1.20 N ATOM 67 CA GLU A 5 -13.751 -12.362 -6.784 1.00 1.33 C ATOM 68 C GLU A 5 -13.406 -13.138 -5.516 1.00 1.31 C ATOM 69 O GLU A 5 -13.552 -14.358 -5.466 1.00 1.58 O ATOM 70 CB GLU A 5 -13.829 -13.323 -7.972 1.00 1.56 C ATOM 71 CG GLU A 5 -14.351 -12.684 -9.245 1.00 1.73 C ATOM 72 CD GLU A 5 -15.807 -12.275 -9.145 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.539 -12.867 -8.326 1.00 2.37 O ATOM 74 OE2 GLU A 5 -16.226 -11.367 -9.897 1.00 2.15 O ATOM 0 H GLU A 5 -11.838 -11.659 -7.269 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.719 -11.884 -6.636 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.836 -13.731 -8.162 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.473 -14.161 -7.707 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -13.748 -11.807 -9.479 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.231 -13.383 -10.072 1.00 1.73 H new ATOM 81 N GLU A 6 -12.944 -12.438 -4.493 1.00 1.20 N ATOM 82 CA GLU A 6 -12.596 -13.090 -3.240 1.00 1.19 C ATOM 83 C GLU A 6 -13.564 -12.676 -2.135 1.00 1.14 C ATOM 84 O GLU A 6 -14.464 -13.435 -1.783 1.00 1.26 O ATOM 85 CB GLU A 6 -11.153 -12.764 -2.852 1.00 1.16 C ATOM 86 CG GLU A 6 -10.132 -13.209 -3.886 1.00 1.41 C ATOM 87 CD GLU A 6 -8.719 -12.798 -3.524 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.500 -11.601 -3.252 1.00 1.83 O ATOM 89 OE2 GLU A 6 -7.822 -13.667 -3.509 1.00 1.64 O ATOM 0 H GLU A 6 -12.802 -11.428 -4.504 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.677 -14.169 -3.375 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.060 -11.689 -2.701 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.925 -13.241 -1.899 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.176 -14.293 -3.991 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.393 -12.784 -4.855 1.00 1.41 H new ATOM 96 N MET A 7 -13.382 -11.461 -1.615 1.00 1.05 N ATOM 97 CA MET A 7 -14.231 -10.918 -0.540 1.00 1.09 C ATOM 98 C MET A 7 -14.190 -11.800 0.704 1.00 1.12 C ATOM 99 O MET A 7 -15.147 -11.861 1.472 1.00 1.32 O ATOM 100 CB MET A 7 -15.677 -10.741 -1.019 1.00 1.22 C ATOM 101 CG MET A 7 -15.868 -9.561 -1.964 1.00 1.44 C ATOM 102 SD MET A 7 -17.596 -9.253 -2.383 1.00 1.75 S ATOM 103 CE MET A 7 -18.238 -8.678 -0.812 1.00 2.16 C ATOM 0 H MET A 7 -12.647 -10.824 -1.922 1.00 1.05 H new ATOM 0 HA MET A 7 -13.831 -9.940 -0.274 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.998 -11.653 -1.521 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.324 -10.609 -0.152 1.00 1.22 H new ATOM 0 HG2 MET A 7 -15.448 -8.666 -1.506 1.00 1.44 H new ATOM 0 HG3 MET A 7 -15.306 -9.744 -2.880 1.00 1.44 H new ATOM 0 HE1 MET A 7 -19.180 -8.155 -0.974 1.00 2.16 H new ATOM 0 HE2 MET A 7 -18.405 -9.530 -0.153 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.520 -7.999 -0.352 1.00 2.16 H new ATOM 113 N VAL A 8 -13.066 -12.472 0.904 1.00 1.13 N ATOM 114 CA VAL A 8 -12.894 -13.344 2.056 1.00 1.22 C ATOM 115 C VAL A 8 -11.586 -13.029 2.772 1.00 1.14 C ATOM 116 O VAL A 8 -10.853 -13.923 3.176 1.00 1.34 O ATOM 117 CB VAL A 8 -12.920 -14.837 1.654 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.352 -15.311 1.458 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.101 -15.075 0.393 1.00 1.49 C ATOM 0 H VAL A 8 -12.258 -12.430 0.282 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.731 -13.159 2.729 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.472 -15.414 2.463 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.351 -16.364 1.175 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.907 -15.185 2.387 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.825 -14.724 0.670 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.135 -16.133 0.131 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.513 -14.485 -0.425 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.067 -14.778 0.569 1.00 1.49 H new ATOM 129 N GLN A 9 -11.299 -11.743 2.920 1.00 0.97 N ATOM 130 CA GLN A 9 -10.079 -11.302 3.582 1.00 0.93 C ATOM 131 C GLN A 9 -10.345 -10.997 5.059 1.00 0.91 C ATOM 132 O GLN A 9 -11.059 -11.743 5.735 1.00 0.98 O ATOM 133 CB GLN A 9 -9.519 -10.069 2.868 1.00 0.89 C ATOM 134 CG GLN A 9 -9.402 -10.240 1.360 1.00 1.00 C ATOM 135 CD GLN A 9 -8.240 -11.128 0.964 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.155 -10.644 0.638 1.00 1.49 O ATOM 137 NE2 GLN A 9 -8.453 -12.433 0.999 1.00 1.43 N ATOM 0 H GLN A 9 -11.896 -10.985 2.590 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.342 -12.103 3.532 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.161 -9.214 3.080 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.535 -9.838 3.277 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.328 -10.665 0.973 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.282 -9.261 0.895 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -9.367 -12.793 1.275 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -7.704 -13.079 0.750 1.00 1.43 H new ATOM 146 N THR A 10 -9.777 -9.904 5.554 1.00 0.91 N ATOM 147 CA THR A 10 -9.942 -9.504 6.945 1.00 0.91 C ATOM 148 C THR A 10 -11.316 -8.882 7.203 1.00 0.88 C ATOM 149 O THR A 10 -11.680 -7.877 6.590 1.00 0.82 O ATOM 150 CB THR A 10 -8.848 -8.501 7.342 1.00 0.89 C ATOM 151 OG1 THR A 10 -8.356 -7.835 6.169 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.703 -9.209 8.057 1.00 0.96 C ATOM 0 H THR A 10 -9.192 -9.273 5.006 1.00 0.91 H new ATOM 0 HA THR A 10 -9.859 -10.406 7.552 1.00 0.91 H new ATOM 0 HB THR A 10 -9.277 -7.766 8.024 1.00 0.89 H new ATOM 0 HG1 THR A 10 -9.074 -7.301 5.771 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.939 -8.481 8.330 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.080 -9.693 8.958 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.270 -9.959 7.396 1.00 0.96 H new ATOM 160 N GLU A 11 -12.071 -9.489 8.110 1.00 0.99 N ATOM 161 CA GLU A 11 -13.398 -9.005 8.462 1.00 1.04 C ATOM 162 C GLU A 11 -13.296 -7.953 9.560 1.00 1.02 C ATOM 163 O GLU A 11 -12.377 -7.993 10.380 1.00 1.03 O ATOM 164 CB GLU A 11 -14.268 -10.168 8.939 1.00 1.19 C ATOM 165 CG GLU A 11 -15.760 -9.925 8.780 1.00 1.29 C ATOM 166 CD GLU A 11 -16.576 -11.174 9.034 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.638 -12.039 8.139 1.00 1.58 O ATOM 168 OE2 GLU A 11 -17.158 -11.299 10.130 1.00 1.89 O ATOM 0 H GLU A 11 -11.783 -10.325 8.619 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.855 -8.556 7.580 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.995 -11.065 8.384 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -14.051 -10.364 9.989 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -16.074 -9.142 9.470 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.961 -9.561 7.772 1.00 1.29 H new ATOM 175 N GLU A 12 -14.229 -7.016 9.571 1.00 1.07 N ATOM 176 CA GLU A 12 -14.242 -5.963 10.573 1.00 1.10 C ATOM 177 C GLU A 12 -15.669 -5.511 10.850 1.00 1.22 C ATOM 178 O GLU A 12 -16.623 -6.117 10.354 1.00 1.54 O ATOM 179 CB GLU A 12 -13.396 -4.778 10.107 1.00 1.07 C ATOM 180 CG GLU A 12 -12.094 -4.627 10.874 1.00 1.18 C ATOM 181 CD GLU A 12 -12.260 -3.837 12.156 1.00 1.74 C ATOM 182 OE1 GLU A 12 -13.365 -3.855 12.741 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.286 -3.184 12.581 1.00 2.23 O ATOM 0 H GLU A 12 -14.990 -6.963 8.894 1.00 1.07 H new ATOM 0 HA GLU A 12 -13.816 -6.358 11.495 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -13.173 -4.895 9.047 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.978 -3.862 10.211 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.699 -5.615 11.109 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.358 -4.132 10.240 1.00 1.18 H new ATOM 190 N MET A 13 -15.805 -4.450 11.640 1.00 1.20 N ATOM 191 CA MET A 13 -17.113 -3.899 11.998 1.00 1.31 C ATOM 192 C MET A 13 -17.958 -3.608 10.764 1.00 1.28 C ATOM 193 O MET A 13 -19.136 -3.961 10.712 1.00 1.46 O ATOM 194 CB MET A 13 -16.950 -2.617 12.819 1.00 1.40 C ATOM 195 CG MET A 13 -16.739 -2.867 14.301 1.00 1.63 C ATOM 196 SD MET A 13 -16.784 -1.345 15.266 1.00 1.83 S ATOM 197 CE MET A 13 -16.708 -2.003 16.930 1.00 2.25 C ATOM 0 H MET A 13 -15.017 -3.948 12.050 1.00 1.20 H new ATOM 0 HA MET A 13 -17.627 -4.651 12.596 1.00 1.31 H new ATOM 0 HB2 MET A 13 -16.103 -2.052 12.430 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.836 -1.996 12.686 1.00 1.40 H new ATOM 0 HG2 MET A 13 -17.508 -3.548 14.665 1.00 1.63 H new ATOM 0 HG3 MET A 13 -15.779 -3.361 14.451 1.00 1.63 H new ATOM 0 HE1 MET A 13 -16.727 -1.182 17.647 1.00 2.25 H new ATOM 0 HE2 MET A 13 -17.564 -2.656 17.103 1.00 2.25 H new ATOM 0 HE3 MET A 13 -15.787 -2.572 17.054 1.00 2.25 H new ATOM 207 N GLU A 14 -17.358 -2.968 9.770 1.00 1.19 N ATOM 208 CA GLU A 14 -18.083 -2.641 8.551 1.00 1.18 C ATOM 209 C GLU A 14 -17.484 -3.359 7.349 1.00 1.09 C ATOM 210 O GLU A 14 -18.213 -3.884 6.509 1.00 1.18 O ATOM 211 CB GLU A 14 -18.092 -1.131 8.312 1.00 1.19 C ATOM 212 CG GLU A 14 -19.024 -0.705 7.187 1.00 1.29 C ATOM 213 CD GLU A 14 -19.010 0.788 6.949 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.212 1.544 7.919 1.00 2.13 O ATOM 215 OE2 GLU A 14 -18.784 1.212 5.794 1.00 2.02 O ATOM 0 H GLU A 14 -16.383 -2.668 9.782 1.00 1.19 H new ATOM 0 HA GLU A 14 -19.111 -2.980 8.677 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.389 -0.626 9.231 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -17.079 -0.801 8.080 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.736 -1.217 6.269 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -20.040 -1.021 7.423 1.00 1.29 H new ATOM 222 N THR A 15 -16.159 -3.375 7.274 1.00 0.98 N ATOM 223 CA THR A 15 -15.457 -4.017 6.176 1.00 0.90 C ATOM 224 C THR A 15 -15.790 -5.511 6.095 1.00 0.94 C ATOM 225 O THR A 15 -15.483 -6.277 7.011 1.00 0.98 O ATOM 226 CB THR A 15 -13.939 -3.827 6.334 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.680 -2.895 7.394 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.325 -3.305 5.048 1.00 0.91 C ATOM 0 H THR A 15 -15.547 -2.946 7.968 1.00 0.98 H new ATOM 0 HA THR A 15 -15.786 -3.546 5.250 1.00 0.90 H new ATOM 0 HB THR A 15 -13.493 -4.793 6.569 1.00 0.84 H new ATOM 0 HG1 THR A 15 -13.079 -2.191 7.071 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.251 -3.178 5.183 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.508 -4.016 4.243 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.775 -2.345 4.794 1.00 0.91 H new ATOM 236 N PRO A 16 -16.425 -5.934 4.989 1.00 0.97 N ATOM 237 CA PRO A 16 -16.824 -7.326 4.777 1.00 1.04 C ATOM 238 C PRO A 16 -15.691 -8.182 4.215 1.00 0.96 C ATOM 239 O PRO A 16 -15.718 -8.580 3.050 1.00 0.96 O ATOM 240 CB PRO A 16 -17.966 -7.190 3.767 1.00 1.12 C ATOM 241 CG PRO A 16 -17.600 -6.000 2.946 1.00 1.07 C ATOM 242 CD PRO A 16 -16.806 -5.081 3.845 1.00 0.98 C ATOM 0 HA PRO A 16 -17.105 -7.829 5.702 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -18.059 -8.084 3.150 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.924 -7.047 4.268 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -17.012 -6.295 2.077 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.492 -5.499 2.571 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.929 -4.685 3.334 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.401 -4.226 4.166 1.00 0.98 H new ATOM 250 N ARG A 17 -14.692 -8.445 5.055 1.00 0.95 N ATOM 251 CA ARG A 17 -13.538 -9.255 4.670 1.00 0.92 C ATOM 252 C ARG A 17 -12.806 -8.627 3.488 1.00 0.82 C ATOM 253 O ARG A 17 -12.668 -9.228 2.419 1.00 0.83 O ATOM 254 CB ARG A 17 -13.968 -10.694 4.353 1.00 1.01 C ATOM 255 CG ARG A 17 -14.646 -11.383 5.524 1.00 1.13 C ATOM 256 CD ARG A 17 -14.527 -12.898 5.451 1.00 1.19 C ATOM 257 NE ARG A 17 -15.008 -13.527 6.678 1.00 1.38 N ATOM 258 CZ ARG A 17 -14.645 -14.738 7.096 1.00 1.67 C ATOM 259 NH1 ARG A 17 -13.789 -15.466 6.387 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.141 -15.221 8.229 1.00 1.94 N ATOM 0 H ARG A 17 -14.659 -8.105 6.016 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.846 -9.288 5.512 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.648 -10.685 3.501 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.093 -11.272 4.056 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -14.203 -11.031 6.456 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -15.700 -11.104 5.546 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.099 -13.269 4.601 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.487 -13.176 5.281 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.667 -13.003 7.254 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -13.405 -15.098 5.516 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -13.515 -16.393 6.713 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.798 -14.665 8.776 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -14.865 -16.148 8.552 1.00 1.94 H new ATOM 274 N LEU A 18 -12.317 -7.416 3.703 1.00 0.75 N ATOM 275 CA LEU A 18 -11.616 -6.673 2.669 1.00 0.67 C ATOM 276 C LEU A 18 -10.187 -6.357 3.104 1.00 0.63 C ATOM 277 O LEU A 18 -9.961 -5.875 4.213 1.00 0.66 O ATOM 278 CB LEU A 18 -12.368 -5.372 2.373 1.00 0.65 C ATOM 279 CG LEU A 18 -13.147 -5.329 1.054 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.137 -6.481 0.965 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.874 -4.000 0.909 1.00 0.66 C ATOM 0 H LEU A 18 -12.394 -6.924 4.593 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.574 -7.285 1.768 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.065 -5.185 3.190 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.649 -4.552 2.374 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.431 -5.431 0.238 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.676 -6.426 0.019 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.600 -7.428 1.022 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.846 -6.416 1.791 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.422 -3.986 -0.033 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.572 -3.875 1.737 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.149 -3.186 0.919 1.00 0.66 H new ATOM 293 N SER A 19 -9.232 -6.641 2.231 1.00 0.63 N ATOM 294 CA SER A 19 -7.831 -6.373 2.508 1.00 0.64 C ATOM 295 C SER A 19 -7.101 -6.079 1.207 1.00 0.61 C ATOM 296 O SER A 19 -7.264 -6.792 0.214 1.00 0.70 O ATOM 297 CB SER A 19 -7.176 -7.554 3.228 1.00 0.77 C ATOM 298 OG SER A 19 -6.055 -7.133 3.986 1.00 1.44 O ATOM 0 H SER A 19 -9.405 -7.061 1.318 1.00 0.63 H new ATOM 0 HA SER A 19 -7.767 -5.505 3.164 1.00 0.64 H new ATOM 0 HB2 SER A 19 -7.903 -8.032 3.884 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.865 -8.301 2.498 1.00 0.77 H new ATOM 0 HG SER A 19 -5.721 -7.883 4.521 1.00 1.44 H new ATOM 304 N VAL A 20 -6.311 -5.025 1.214 1.00 0.55 N ATOM 305 CA VAL A 20 -5.573 -4.619 0.037 1.00 0.56 C ATOM 306 C VAL A 20 -4.107 -5.030 0.136 1.00 0.67 C ATOM 307 O VAL A 20 -3.535 -5.097 1.230 1.00 0.73 O ATOM 308 CB VAL A 20 -5.672 -3.090 -0.162 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.892 -2.356 0.914 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.190 -2.682 -1.543 1.00 0.53 C ATOM 0 H VAL A 20 -6.163 -4.430 2.029 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.016 -5.123 -0.822 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.722 -2.811 -0.078 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.975 -1.281 0.754 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.296 -2.610 1.894 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.843 -2.649 0.867 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.272 -1.601 -1.652 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.149 -2.981 -1.668 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.802 -3.171 -2.301 1.00 0.53 H new ATOM 320 N ILE A 21 -3.514 -5.337 -1.006 1.00 0.73 N ATOM 321 CA ILE A 21 -2.114 -5.709 -1.053 1.00 0.86 C ATOM 322 C ILE A 21 -1.263 -4.474 -1.325 1.00 0.87 C ATOM 323 O ILE A 21 -1.159 -4.014 -2.466 1.00 0.88 O ATOM 324 CB ILE A 21 -1.832 -6.786 -2.130 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.483 -8.116 -1.736 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.330 -6.967 -2.339 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.136 -9.264 -2.663 1.00 1.10 C ATOM 0 H ILE A 21 -3.983 -5.335 -1.912 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.854 -6.137 -0.085 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.267 -6.450 -3.071 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.176 -8.374 -0.722 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.565 -7.989 -1.719 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.158 -7.728 -3.100 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.108 -6.023 -2.664 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.133 -7.279 -1.403 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.633 -10.171 -2.320 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.468 -9.028 -3.674 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.057 -9.419 -2.662 1.00 1.10 H new ATOM 339 N VAL A 22 -0.702 -3.914 -0.268 1.00 0.89 N ATOM 340 CA VAL A 22 0.152 -2.749 -0.396 1.00 0.93 C ATOM 341 C VAL A 22 1.568 -3.205 -0.706 1.00 1.07 C ATOM 342 O VAL A 22 2.240 -3.790 0.146 1.00 1.15 O ATOM 343 CB VAL A 22 0.153 -1.891 0.885 1.00 0.92 C ATOM 344 CG1 VAL A 22 0.841 -0.560 0.638 1.00 0.97 C ATOM 345 CG2 VAL A 22 -1.266 -1.676 1.392 1.00 0.80 C ATOM 0 H VAL A 22 -0.823 -4.248 0.688 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.237 -2.130 -1.205 1.00 0.93 H new ATOM 0 HB VAL A 22 0.711 -2.427 1.653 1.00 0.92 H new ATOM 0 HG11 VAL A 22 0.831 0.030 1.554 1.00 0.97 H new ATOM 0 HG12 VAL A 22 1.872 -0.735 0.330 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.315 -0.019 -0.148 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -1.241 -1.068 2.296 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.852 -1.166 0.628 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.723 -2.640 1.615 1.00 0.80 H new ATOM 355 N THR A 23 2.013 -2.950 -1.925 1.00 1.12 N ATOM 356 CA THR A 23 3.332 -3.373 -2.340 1.00 1.26 C ATOM 357 C THR A 23 4.237 -2.197 -2.695 1.00 1.32 C ATOM 358 O THR A 23 3.806 -1.194 -3.266 1.00 1.28 O ATOM 359 CB THR A 23 3.254 -4.353 -3.533 1.00 1.33 C ATOM 360 OG1 THR A 23 4.570 -4.674 -4.000 1.00 1.89 O ATOM 361 CG2 THR A 23 2.435 -3.773 -4.675 1.00 1.63 C ATOM 0 H THR A 23 1.480 -2.454 -2.639 1.00 1.12 H new ATOM 0 HA THR A 23 3.773 -3.885 -1.485 1.00 1.26 H new ATOM 0 HB THR A 23 2.761 -5.260 -3.183 1.00 1.33 H new ATOM 0 HG1 THR A 23 5.068 -5.127 -3.288 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.400 -4.488 -5.497 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.422 -3.569 -4.329 1.00 1.63 H new ATOM 0 HG23 THR A 23 2.895 -2.846 -5.019 1.00 1.63 H new ATOM 369 N HIS A 24 5.497 -2.342 -2.321 1.00 1.45 N ATOM 370 CA HIS A 24 6.528 -1.355 -2.590 1.00 1.54 C ATOM 371 C HIS A 24 7.743 -2.098 -3.131 1.00 1.61 C ATOM 372 O HIS A 24 8.649 -2.463 -2.375 1.00 1.63 O ATOM 373 CB HIS A 24 6.867 -0.558 -1.309 1.00 1.58 C ATOM 374 CG HIS A 24 8.194 0.152 -1.334 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.176 -0.063 -0.391 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.694 1.078 -2.185 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.219 0.696 -0.659 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.954 1.399 -1.746 1.00 1.86 N ATOM 0 H HIS A 24 5.837 -3.160 -1.815 1.00 1.45 H new ATOM 0 HA HIS A 24 6.185 -0.627 -3.325 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.081 0.178 -1.139 1.00 1.58 H new ATOM 0 HB3 HIS A 24 6.853 -1.241 -0.460 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.106 -0.710 0.394 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.194 1.488 -3.050 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.135 0.737 -0.088 1.00 1.88 H new ATOM 387 N SER A 25 7.700 -2.386 -4.431 1.00 1.68 N ATOM 388 CA SER A 25 8.768 -3.105 -5.127 1.00 1.77 C ATOM 389 C SER A 25 8.792 -4.579 -4.708 1.00 1.80 C ATOM 390 O SER A 25 8.486 -5.468 -5.505 1.00 1.90 O ATOM 391 CB SER A 25 10.129 -2.442 -4.869 1.00 1.78 C ATOM 392 OG SER A 25 10.052 -1.032 -5.031 1.00 1.90 O ATOM 0 H SER A 25 6.920 -2.126 -5.035 1.00 1.68 H new ATOM 0 HA SER A 25 8.567 -3.060 -6.197 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.466 -2.677 -3.859 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.871 -2.850 -5.555 1.00 1.78 H new ATOM 0 HG SER A 25 10.931 -0.635 -4.859 1.00 1.90 H new ATOM 398 N ASN A 26 9.130 -4.827 -3.452 1.00 1.77 N ATOM 399 CA ASN A 26 9.196 -6.181 -2.919 1.00 1.82 C ATOM 400 C ASN A 26 8.512 -6.234 -1.550 1.00 1.75 C ATOM 401 O ASN A 26 8.662 -7.187 -0.787 1.00 1.87 O ATOM 402 CB ASN A 26 10.658 -6.624 -2.822 1.00 1.95 C ATOM 403 CG ASN A 26 10.814 -8.118 -2.626 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.991 -8.593 -1.509 1.00 2.28 O ATOM 405 ND2 ASN A 26 10.748 -8.870 -3.714 1.00 2.32 N ATOM 0 H ASN A 26 9.365 -4.100 -2.776 1.00 1.77 H new ATOM 0 HA ASN A 26 8.673 -6.865 -3.587 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.183 -6.326 -3.730 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.135 -6.103 -1.992 1.00 1.95 H new ATOM 0 HD21 ASN A 26 10.846 -9.883 -3.641 1.00 2.32 H new ATOM 0 HD22 ASN A 26 10.600 -8.437 -4.625 1.00 2.32 H new ATOM 412 N GLU A 27 7.746 -5.194 -1.260 1.00 1.66 N ATOM 413 CA GLU A 27 7.025 -5.083 0.005 1.00 1.60 C ATOM 414 C GLU A 27 5.663 -5.764 -0.087 1.00 1.47 C ATOM 415 O GLU A 27 5.091 -5.870 -1.171 1.00 1.48 O ATOM 416 CB GLU A 27 6.830 -3.609 0.358 1.00 1.63 C ATOM 417 CG GLU A 27 7.103 -3.271 1.809 1.00 1.89 C ATOM 418 CD GLU A 27 8.496 -2.724 2.010 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.736 -1.555 1.652 1.00 2.14 O ATOM 420 OE2 GLU A 27 9.358 -3.463 2.508 1.00 2.24 O ATOM 0 H GLU A 27 7.605 -4.404 -1.890 1.00 1.66 H new ATOM 0 HA GLU A 27 7.612 -5.576 0.780 1.00 1.60 H new ATOM 0 HB2 GLU A 27 7.485 -3.007 -0.272 1.00 1.63 H new ATOM 0 HB3 GLU A 27 5.806 -3.323 0.118 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.373 -2.539 2.154 1.00 1.89 H new ATOM 0 HG3 GLU A 27 6.973 -4.164 2.420 1.00 1.89 H new ATOM 427 N ARG A 28 5.144 -6.211 1.054 1.00 1.44 N ATOM 428 CA ARG A 28 3.846 -6.869 1.100 1.00 1.33 C ATOM 429 C ARG A 28 3.171 -6.642 2.450 1.00 1.28 C ATOM 430 O ARG A 28 3.535 -7.262 3.448 1.00 1.36 O ATOM 431 CB ARG A 28 3.993 -8.372 0.839 1.00 1.41 C ATOM 432 CG ARG A 28 3.020 -8.917 -0.198 1.00 1.45 C ATOM 433 CD ARG A 28 1.570 -8.639 0.178 1.00 1.48 C ATOM 434 NE ARG A 28 1.157 -9.341 1.392 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.063 -9.255 1.927 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.984 -8.466 1.384 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.364 -9.949 3.011 1.00 1.92 N ATOM 0 H ARG A 28 5.606 -6.128 1.960 1.00 1.44 H new ATOM 0 HA ARG A 28 3.222 -6.434 0.319 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.012 -8.575 0.509 1.00 1.41 H new ATOM 0 HB3 ARG A 28 3.848 -8.909 1.776 1.00 1.41 H new ATOM 0 HG2 ARG A 28 3.235 -8.469 -1.168 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.167 -9.992 -0.304 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.435 -7.567 0.320 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.922 -8.936 -0.647 1.00 1.48 H new ATOM 0 HE ARG A 28 1.844 -9.933 1.859 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.761 -7.920 0.552 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.914 -8.406 1.799 1.00 1.47 H new ATOM 0 HH21 ARG A 28 0.337 -10.552 3.441 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.297 -9.881 3.417 1.00 1.92 H new ATOM 451 N TYR A 29 2.201 -5.741 2.476 1.00 1.17 N ATOM 452 CA TYR A 29 1.468 -5.438 3.697 1.00 1.13 C ATOM 453 C TYR A 29 -0.024 -5.657 3.498 1.00 1.01 C ATOM 454 O TYR A 29 -0.591 -5.240 2.486 1.00 1.00 O ATOM 455 CB TYR A 29 1.720 -3.996 4.140 1.00 1.13 C ATOM 456 CG TYR A 29 3.048 -3.789 4.833 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.195 -4.060 6.188 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.150 -3.319 4.134 1.00 1.60 C ATOM 459 CE1 TYR A 29 4.404 -3.864 6.828 1.00 1.82 C ATOM 460 CE2 TYR A 29 5.362 -3.124 4.766 1.00 1.88 C ATOM 461 CZ TYR A 29 5.483 -3.398 6.111 1.00 1.91 C ATOM 462 OH TYR A 29 6.690 -3.196 6.740 1.00 2.29 O ATOM 0 H TYR A 29 1.902 -5.204 1.662 1.00 1.17 H new ATOM 0 HA TYR A 29 1.826 -6.113 4.474 1.00 1.13 H new ATOM 0 HB2 TYR A 29 1.672 -3.345 3.267 1.00 1.13 H new ATOM 0 HB3 TYR A 29 0.919 -3.688 4.812 1.00 1.13 H new ATOM 0 HD1 TYR A 29 2.350 -4.430 6.750 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.059 -3.102 3.080 1.00 1.60 H new ATOM 0 HE1 TYR A 29 4.502 -4.075 7.883 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.212 -2.758 4.209 1.00 1.88 H new ATOM 0 HH TYR A 29 7.346 -2.866 6.091 1.00 2.29 H new ATOM 472 N ASP A 30 -0.646 -6.324 4.461 1.00 0.98 N ATOM 473 CA ASP A 30 -2.079 -6.597 4.419 1.00 0.90 C ATOM 474 C ASP A 30 -2.815 -5.484 5.155 1.00 0.84 C ATOM 475 O ASP A 30 -2.800 -5.431 6.385 1.00 0.96 O ATOM 476 CB ASP A 30 -2.380 -7.951 5.072 1.00 0.97 C ATOM 477 CG ASP A 30 -3.377 -8.782 4.283 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.051 -9.182 3.142 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.476 -9.064 4.805 1.00 1.34 O ATOM 0 H ASP A 30 -0.176 -6.690 5.289 1.00 0.98 H new ATOM 0 HA ASP A 30 -2.414 -6.635 3.382 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.451 -8.512 5.178 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.768 -7.785 6.077 1.00 0.97 H new ATOM 484 N LEU A 31 -3.436 -4.583 4.412 1.00 0.71 N ATOM 485 CA LEU A 31 -4.139 -3.463 5.025 1.00 0.66 C ATOM 486 C LEU A 31 -5.639 -3.553 4.799 1.00 0.58 C ATOM 487 O LEU A 31 -6.100 -3.870 3.704 1.00 0.59 O ATOM 488 CB LEU A 31 -3.606 -2.135 4.478 1.00 0.66 C ATOM 489 CG LEU A 31 -3.099 -1.142 5.530 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.260 -0.560 6.325 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.094 -1.809 6.459 1.00 0.98 C ATOM 0 H LEU A 31 -3.469 -4.602 3.393 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.957 -3.508 6.099 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.793 -2.348 3.784 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -4.398 -1.655 3.903 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.596 -0.325 5.012 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.878 0.142 7.066 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.939 -0.040 5.649 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.795 -1.365 6.830 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.747 -1.087 7.198 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.569 -2.648 6.967 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.245 -2.170 5.878 1.00 0.98 H new ATOM 503 N LEU A 32 -6.391 -3.257 5.849 1.00 0.55 N ATOM 504 CA LEU A 32 -7.840 -3.297 5.792 1.00 0.52 C ATOM 505 C LEU A 32 -8.382 -2.071 5.067 1.00 0.43 C ATOM 506 O LEU A 32 -7.882 -0.963 5.253 1.00 0.43 O ATOM 507 CB LEU A 32 -8.416 -3.356 7.207 1.00 0.60 C ATOM 508 CG LEU A 32 -9.943 -3.386 7.289 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.444 -4.813 7.444 1.00 0.94 C ATOM 510 CD2 LEU A 32 -10.427 -2.516 8.438 1.00 0.85 C ATOM 0 H LEU A 32 -6.015 -2.985 6.757 1.00 0.55 H new ATOM 0 HA LEU A 32 -8.140 -4.189 5.242 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -8.024 -4.243 7.705 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -8.055 -2.492 7.765 1.00 0.60 H new ATOM 0 HG LEU A 32 -10.348 -2.985 6.360 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.533 -4.812 7.500 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -10.125 -5.406 6.586 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -10.034 -5.246 8.356 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.516 -2.547 8.484 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -10.013 -2.888 9.375 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -10.100 -1.489 8.279 1.00 0.85 H new ATOM 522 N VAL A 33 -9.398 -2.282 4.243 1.00 0.41 N ATOM 523 CA VAL A 33 -10.022 -1.201 3.492 1.00 0.36 C ATOM 524 C VAL A 33 -10.704 -0.215 4.437 1.00 0.41 C ATOM 525 O VAL A 33 -11.305 -0.619 5.436 1.00 0.51 O ATOM 526 CB VAL A 33 -11.041 -1.759 2.477 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.876 -0.652 1.853 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.316 -2.546 1.400 1.00 0.56 C ATOM 0 H VAL A 33 -9.811 -3.200 4.076 1.00 0.41 H new ATOM 0 HA VAL A 33 -9.241 -0.674 2.944 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.723 -2.420 3.012 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.582 -1.084 1.144 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.424 -0.125 2.634 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.222 0.048 1.333 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -11.040 -2.938 0.686 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.613 -1.893 0.883 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.773 -3.373 1.857 1.00 0.56 H new ATOM 538 N THR A 34 -10.607 1.068 4.116 1.00 0.39 N ATOM 539 CA THR A 34 -11.197 2.115 4.939 1.00 0.48 C ATOM 540 C THR A 34 -12.719 2.166 4.759 1.00 0.59 C ATOM 541 O THR A 34 -13.218 2.552 3.698 1.00 0.65 O ATOM 542 CB THR A 34 -10.589 3.488 4.593 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.206 3.337 4.239 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.707 4.446 5.770 1.00 0.64 C ATOM 0 H THR A 34 -10.122 1.410 3.286 1.00 0.39 H new ATOM 0 HA THR A 34 -10.976 1.879 5.980 1.00 0.48 H new ATOM 0 HB THR A 34 -11.141 3.900 3.749 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.652 3.861 4.854 1.00 0.49 H new ATOM 0 HG21 THR A 34 -10.271 5.408 5.501 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.758 4.582 6.024 1.00 0.64 H new ATOM 0 HG23 THR A 34 -10.177 4.034 6.629 1.00 0.64 H new ATOM 552 N PRO A 35 -13.474 1.773 5.802 1.00 0.73 N ATOM 553 CA PRO A 35 -14.930 1.755 5.775 1.00 0.89 C ATOM 554 C PRO A 35 -15.545 3.067 6.274 1.00 0.93 C ATOM 555 O PRO A 35 -14.998 4.144 6.031 1.00 0.93 O ATOM 556 CB PRO A 35 -15.239 0.599 6.726 1.00 1.07 C ATOM 557 CG PRO A 35 -14.151 0.640 7.749 1.00 1.07 C ATOM 558 CD PRO A 35 -12.962 1.316 7.106 1.00 0.82 C ATOM 0 HA PRO A 35 -15.341 1.639 4.772 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -16.219 0.718 7.187 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -15.249 -0.355 6.198 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -14.474 1.189 8.633 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.891 -0.367 8.076 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -12.603 2.150 7.709 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -12.127 0.626 6.987 1.00 0.82 H new ATOM 566 N GLN A 36 -16.691 2.957 6.955 1.00 1.02 N ATOM 567 CA GLN A 36 -17.413 4.103 7.506 1.00 1.13 C ATOM 568 C GLN A 36 -18.119 4.869 6.399 1.00 1.16 C ATOM 569 O GLN A 36 -18.259 6.093 6.459 1.00 1.24 O ATOM 570 CB GLN A 36 -16.484 5.037 8.299 1.00 1.16 C ATOM 571 CG GLN A 36 -15.848 4.385 9.515 1.00 1.38 C ATOM 572 CD GLN A 36 -16.843 4.104 10.624 1.00 1.95 C ATOM 573 OE1 GLN A 36 -18.016 3.828 10.375 1.00 2.47 O ATOM 574 NE2 GLN A 36 -16.385 4.177 11.861 1.00 2.33 N ATOM 0 H GLN A 36 -17.145 2.062 7.139 1.00 1.02 H new ATOM 0 HA GLN A 36 -18.159 3.717 8.200 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.696 5.397 7.638 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -17.052 5.910 8.622 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.375 3.451 9.214 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.059 5.033 9.897 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -15.406 4.409 12.030 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -17.010 4.002 12.648 1.00 2.33 H new ATOM 583 N GLN A 37 -18.583 4.135 5.396 1.00 1.15 N ATOM 584 CA GLN A 37 -19.272 4.733 4.264 1.00 1.23 C ATOM 585 C GLN A 37 -20.246 3.743 3.640 1.00 1.30 C ATOM 586 O GLN A 37 -21.461 3.886 3.779 1.00 1.64 O ATOM 587 CB GLN A 37 -18.270 5.216 3.213 1.00 1.16 C ATOM 588 CG GLN A 37 -18.290 6.724 3.007 1.00 1.33 C ATOM 589 CD GLN A 37 -19.627 7.227 2.505 1.00 1.52 C ATOM 590 OE1 GLN A 37 -20.338 6.533 1.779 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.982 8.441 2.889 1.00 1.82 N ATOM 0 H GLN A 37 -18.493 3.120 5.345 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.835 5.592 4.630 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -17.267 4.911 3.511 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.484 4.724 2.264 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -18.051 7.218 3.948 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -17.512 7.000 2.295 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.365 8.986 3.492 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.873 8.833 2.583 1.00 1.82 H new ATOM 600 N GLY A 38 -19.720 2.733 2.963 1.00 1.14 N ATOM 601 CA GLY A 38 -20.582 1.759 2.333 1.00 1.21 C ATOM 602 C GLY A 38 -19.957 0.385 2.226 1.00 1.14 C ATOM 603 O GLY A 38 -20.062 -0.248 1.180 1.00 1.17 O ATOM 0 H GLY A 38 -18.720 2.572 2.840 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.510 1.685 2.900 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.845 2.109 1.335 1.00 1.21 H new ATOM 607 N ASN A 39 -19.329 -0.063 3.320 1.00 1.13 N ATOM 608 CA ASN A 39 -18.669 -1.386 3.428 1.00 1.11 C ATOM 609 C ASN A 39 -17.814 -1.759 2.206 1.00 0.97 C ATOM 610 O ASN A 39 -16.596 -1.596 2.228 1.00 0.89 O ATOM 611 CB ASN A 39 -19.673 -2.519 3.759 1.00 1.30 C ATOM 612 CG ASN A 39 -20.948 -2.509 2.932 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.975 -2.989 1.796 1.00 1.84 O ATOM 614 ND2 ASN A 39 -22.020 -1.980 3.503 1.00 1.70 N ATOM 0 H ASN A 39 -19.260 0.488 4.175 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.981 -1.282 4.267 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.174 -3.478 3.619 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.941 -2.450 4.813 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.908 -1.960 3.001 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.958 -1.593 4.445 1.00 1.70 H new ATOM 621 N SER A 40 -18.447 -2.269 1.158 1.00 1.02 N ATOM 622 CA SER A 40 -17.745 -2.675 -0.054 1.00 0.95 C ATOM 623 C SER A 40 -17.245 -1.460 -0.841 1.00 0.87 C ATOM 624 O SER A 40 -16.348 -1.577 -1.677 1.00 0.82 O ATOM 625 CB SER A 40 -18.671 -3.530 -0.922 1.00 1.07 C ATOM 626 OG SER A 40 -19.390 -4.467 -0.131 1.00 1.30 O ATOM 0 H SER A 40 -19.456 -2.413 1.123 1.00 1.02 H new ATOM 0 HA SER A 40 -16.873 -3.263 0.233 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.371 -2.887 -1.456 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.085 -4.058 -1.674 1.00 1.07 H new ATOM 0 HG SER A 40 -20.049 -3.994 0.419 1.00 1.30 H new ATOM 632 N GLU A 41 -17.837 -0.302 -0.576 1.00 0.92 N ATOM 633 CA GLU A 41 -17.439 0.931 -1.239 1.00 0.88 C ATOM 634 C GLU A 41 -16.555 1.751 -0.300 1.00 0.81 C ATOM 635 O GLU A 41 -17.041 2.312 0.688 1.00 0.90 O ATOM 636 CB GLU A 41 -18.669 1.741 -1.662 1.00 1.02 C ATOM 637 CG GLU A 41 -18.373 2.770 -2.743 1.00 1.34 C ATOM 638 CD GLU A 41 -19.611 3.507 -3.211 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.678 3.351 -2.583 1.00 1.83 O ATOM 640 OE2 GLU A 41 -19.528 4.249 -4.219 1.00 1.73 O ATOM 0 H GLU A 41 -18.597 -0.192 0.096 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.875 0.684 -2.138 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.438 1.058 -2.022 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -19.078 2.250 -0.789 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.649 3.491 -2.363 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -17.909 2.272 -3.594 1.00 1.34 H new ATOM 647 N PRO A 42 -15.245 1.805 -0.584 1.00 0.69 N ATOM 648 CA PRO A 42 -14.276 2.538 0.238 1.00 0.67 C ATOM 649 C PRO A 42 -14.398 4.055 0.108 1.00 0.69 C ATOM 650 O PRO A 42 -14.921 4.570 -0.882 1.00 0.77 O ATOM 651 CB PRO A 42 -12.912 2.080 -0.303 1.00 0.60 C ATOM 652 CG PRO A 42 -13.193 0.944 -1.228 1.00 0.62 C ATOM 653 CD PRO A 42 -14.592 1.148 -1.724 1.00 0.64 C ATOM 0 HA PRO A 42 -14.432 2.330 1.297 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.408 2.893 -0.826 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.256 1.768 0.509 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.484 0.931 -2.056 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -13.098 -0.011 -0.712 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.618 1.770 -2.619 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -15.074 0.204 -1.978 1.00 0.64 H new ATOM 661 N VAL A 43 -13.896 4.765 1.118 1.00 0.67 N ATOM 662 CA VAL A 43 -13.923 6.228 1.127 1.00 0.72 C ATOM 663 C VAL A 43 -12.870 6.788 0.174 1.00 0.65 C ATOM 664 O VAL A 43 -11.994 6.060 -0.290 1.00 0.58 O ATOM 665 CB VAL A 43 -13.673 6.801 2.544 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.729 6.314 3.521 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.281 6.435 3.038 1.00 0.67 C ATOM 0 H VAL A 43 -13.464 4.349 1.943 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.919 6.529 0.801 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.741 7.887 2.482 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.531 6.731 4.509 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.714 6.636 3.182 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.701 5.226 3.574 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -12.128 6.848 4.035 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.182 5.350 3.076 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.534 6.844 2.357 1.00 0.67 H new ATOM 677 N VAL A 44 -12.943 8.085 -0.105 1.00 0.72 N ATOM 678 CA VAL A 44 -11.988 8.728 -1.007 1.00 0.71 C ATOM 679 C VAL A 44 -10.565 8.678 -0.455 1.00 0.66 C ATOM 680 O VAL A 44 -9.593 8.681 -1.213 1.00 0.68 O ATOM 681 CB VAL A 44 -12.362 10.197 -1.305 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.199 10.291 -2.570 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.093 10.832 -0.129 1.00 0.98 C ATOM 0 H VAL A 44 -13.650 8.712 0.278 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.032 8.161 -1.937 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.436 10.751 -1.461 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.452 11.334 -2.762 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.632 9.894 -3.412 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.114 9.713 -2.444 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.342 11.865 -0.370 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -14.008 10.276 0.074 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.452 10.810 0.753 1.00 0.98 H new ATOM 693 N GLN A 45 -10.445 8.619 0.865 1.00 0.66 N ATOM 694 CA GLN A 45 -9.139 8.573 1.510 1.00 0.65 C ATOM 695 C GLN A 45 -8.664 7.139 1.699 1.00 0.57 C ATOM 696 O GLN A 45 -7.638 6.907 2.331 1.00 0.62 O ATOM 697 CB GLN A 45 -9.184 9.265 2.875 1.00 0.74 C ATOM 698 CG GLN A 45 -9.616 10.718 2.815 1.00 1.07 C ATOM 699 CD GLN A 45 -11.076 10.914 3.166 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.905 10.025 2.964 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.402 12.082 3.692 1.00 1.94 N ATOM 0 H GLN A 45 -11.235 8.602 1.510 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.440 9.095 0.857 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.868 8.720 3.525 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.196 9.209 3.332 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.001 11.303 3.499 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -9.433 11.105 1.812 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.685 12.791 3.843 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.371 12.274 3.947 1.00 1.94 H new ATOM 710 N ASP A 46 -9.402 6.180 1.146 1.00 0.49 N ATOM 711 CA ASP A 46 -9.053 4.765 1.290 1.00 0.42 C ATOM 712 C ASP A 46 -7.661 4.460 0.754 1.00 0.41 C ATOM 713 O ASP A 46 -6.757 4.142 1.521 1.00 0.46 O ATOM 714 CB ASP A 46 -10.072 3.876 0.583 1.00 0.38 C ATOM 715 CG ASP A 46 -9.643 2.423 0.561 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.593 1.804 1.646 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.342 1.906 -0.544 1.00 0.31 O ATOM 0 H ASP A 46 -10.243 6.353 0.595 1.00 0.49 H new ATOM 0 HA ASP A 46 -9.063 4.551 2.359 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -11.036 3.961 1.084 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.212 4.228 -0.439 1.00 0.38 H new ATOM 722 N LEU A 47 -7.485 4.592 -0.560 1.00 0.46 N ATOM 723 CA LEU A 47 -6.204 4.300 -1.205 1.00 0.54 C ATOM 724 C LEU A 47 -5.058 5.097 -0.581 1.00 0.56 C ATOM 725 O LEU A 47 -3.911 4.648 -0.564 1.00 0.65 O ATOM 726 CB LEU A 47 -6.288 4.576 -2.715 1.00 0.66 C ATOM 727 CG LEU A 47 -6.021 6.023 -3.147 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.638 6.069 -4.615 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.237 6.905 -2.891 1.00 1.00 C ATOM 0 H LEU A 47 -8.216 4.900 -1.201 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.992 3.242 -1.048 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.574 3.928 -3.223 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.281 4.291 -3.062 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.193 6.408 -2.552 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.451 7.101 -4.910 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.737 5.477 -4.775 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.451 5.662 -5.216 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.019 7.925 -3.207 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.088 6.524 -3.456 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.475 6.897 -1.827 1.00 1.00 H new ATOM 741 N ALA A 48 -5.381 6.271 -0.057 1.00 0.58 N ATOM 742 CA ALA A 48 -4.388 7.128 0.566 1.00 0.69 C ATOM 743 C ALA A 48 -4.007 6.604 1.948 1.00 0.67 C ATOM 744 O ALA A 48 -2.842 6.640 2.339 1.00 0.76 O ATOM 745 CB ALA A 48 -4.921 8.547 0.665 1.00 0.83 C ATOM 0 H ALA A 48 -6.328 6.651 -0.052 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.491 7.127 -0.053 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -4.172 9.185 1.133 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -5.144 8.922 -0.334 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.830 8.553 1.267 1.00 0.83 H new ATOM 751 N GLN A 49 -4.991 6.098 2.672 1.00 0.60 N ATOM 752 CA GLN A 49 -4.769 5.580 4.012 1.00 0.62 C ATOM 753 C GLN A 49 -4.162 4.181 3.969 1.00 0.59 C ATOM 754 O GLN A 49 -3.340 3.833 4.817 1.00 0.66 O ATOM 755 CB GLN A 49 -6.085 5.566 4.790 1.00 0.62 C ATOM 756 CG GLN A 49 -5.931 5.236 6.267 1.00 0.95 C ATOM 757 CD GLN A 49 -5.629 6.451 7.131 1.00 1.27 C ATOM 758 OE1 GLN A 49 -6.089 6.540 8.268 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.851 7.390 6.609 1.00 1.43 N ATOM 0 H GLN A 49 -5.957 6.035 2.352 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.061 6.235 4.519 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.561 6.542 4.695 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.756 4.838 4.334 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.847 4.765 6.624 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.130 4.507 6.387 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -4.487 7.283 5.662 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -4.617 8.219 7.154 1.00 1.43 H new ATOM 768 N LEU A 50 -4.562 3.391 2.975 1.00 0.52 N ATOM 769 CA LEU A 50 -4.060 2.025 2.821 1.00 0.53 C ATOM 770 C LEU A 50 -2.538 1.991 2.784 1.00 0.65 C ATOM 771 O LEU A 50 -1.909 1.195 3.475 1.00 0.72 O ATOM 772 CB LEU A 50 -4.597 1.389 1.536 1.00 0.46 C ATOM 773 CG LEU A 50 -6.118 1.294 1.425 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.511 0.702 0.082 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.691 0.467 2.562 1.00 0.40 C ATOM 0 H LEU A 50 -5.234 3.673 2.262 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.408 1.460 3.686 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.225 1.962 0.687 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.182 0.385 1.449 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.532 2.300 1.497 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.597 0.640 0.016 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.134 1.337 -0.720 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -6.084 -0.296 -0.015 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.775 0.413 2.462 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.273 -0.539 2.527 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.437 0.932 3.514 1.00 0.40 H new ATOM 787 N VAL A 51 -1.948 2.866 1.983 1.00 0.70 N ATOM 788 CA VAL A 51 -0.503 2.914 1.851 1.00 0.84 C ATOM 789 C VAL A 51 0.152 3.575 3.067 1.00 0.90 C ATOM 790 O VAL A 51 1.238 3.169 3.496 1.00 1.01 O ATOM 791 CB VAL A 51 -0.081 3.639 0.552 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.433 5.119 0.586 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.400 3.448 0.291 1.00 1.37 C ATOM 0 H VAL A 51 -2.448 3.551 1.416 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.153 1.883 1.798 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.642 3.190 -0.268 1.00 0.90 H new ATOM 0 HG11 VAL A 51 -0.119 5.589 -0.346 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.510 5.234 0.705 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.078 5.595 1.423 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.677 3.966 -0.627 1.00 1.37 H new ATOM 0 HG22 VAL A 51 1.972 3.856 1.124 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.617 2.385 0.188 1.00 1.37 H new ATOM 803 N GLU A 52 -0.522 4.566 3.636 1.00 0.86 N ATOM 804 CA GLU A 52 0.000 5.282 4.791 1.00 0.93 C ATOM 805 C GLU A 52 0.067 4.376 6.016 1.00 0.95 C ATOM 806 O GLU A 52 1.134 4.200 6.606 1.00 1.07 O ATOM 807 CB GLU A 52 -0.855 6.521 5.081 1.00 0.91 C ATOM 808 CG GLU A 52 -0.404 7.299 6.308 1.00 1.13 C ATOM 809 CD GLU A 52 -0.865 8.742 6.296 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.052 8.994 6.580 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.038 9.635 6.015 1.00 1.40 O ATOM 0 H GLU A 52 -1.434 4.892 3.315 1.00 0.86 H new ATOM 0 HA GLU A 52 1.015 5.605 4.560 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.830 7.181 4.214 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.892 6.213 5.217 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.786 6.809 7.203 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.684 7.271 6.369 1.00 1.13 H new ATOM 818 N GLU A 53 -1.060 3.764 6.366 1.00 0.86 N ATOM 819 CA GLU A 53 -1.134 2.887 7.532 1.00 0.89 C ATOM 820 C GLU A 53 -0.391 1.573 7.310 1.00 0.93 C ATOM 821 O GLU A 53 -0.235 0.777 8.233 1.00 1.01 O ATOM 822 CB GLU A 53 -2.589 2.589 7.889 1.00 0.85 C ATOM 823 CG GLU A 53 -3.269 3.694 8.679 1.00 1.33 C ATOM 824 CD GLU A 53 -4.385 3.170 9.555 1.00 1.45 C ATOM 825 OE1 GLU A 53 -5.528 3.066 9.071 1.00 1.99 O ATOM 826 OE2 GLU A 53 -4.119 2.852 10.733 1.00 1.81 O ATOM 0 H GLU A 53 -1.939 3.859 5.857 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.653 3.416 8.355 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.150 2.415 6.971 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.629 1.666 8.467 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.530 4.201 9.300 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -3.670 4.437 7.989 1.00 1.33 H new ATOM 833 N ALA A 54 0.082 1.352 6.091 1.00 0.93 N ATOM 834 CA ALA A 54 0.801 0.127 5.765 1.00 1.00 C ATOM 835 C ALA A 54 2.255 0.188 6.217 1.00 1.15 C ATOM 836 O ALA A 54 3.051 -0.677 5.856 1.00 1.28 O ATOM 837 CB ALA A 54 0.727 -0.149 4.272 1.00 1.06 C ATOM 0 H ALA A 54 -0.019 2.003 5.313 1.00 0.93 H new ATOM 0 HA ALA A 54 0.320 -0.689 6.304 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.269 -1.067 4.044 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -0.316 -0.259 3.974 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.175 0.681 3.726 1.00 1.06 H new ATOM 843 N THR A 55 2.593 1.217 6.992 1.00 1.21 N ATOM 844 CA THR A 55 3.951 1.396 7.504 1.00 1.38 C ATOM 845 C THR A 55 4.027 2.580 8.461 1.00 1.40 C ATOM 846 O THR A 55 4.863 2.607 9.365 1.00 1.55 O ATOM 847 CB THR A 55 4.975 1.635 6.372 1.00 1.60 C ATOM 848 OG1 THR A 55 4.301 2.023 5.163 1.00 1.81 O ATOM 849 CG2 THR A 55 5.826 0.397 6.117 1.00 1.77 C ATOM 0 H THR A 55 1.939 1.945 7.281 1.00 1.21 H new ATOM 0 HA THR A 55 4.198 0.471 8.024 1.00 1.38 H new ATOM 0 HB THR A 55 5.637 2.440 6.690 1.00 1.60 H new ATOM 0 HG1 THR A 55 3.652 2.730 5.363 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.535 0.602 5.315 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.371 0.137 7.025 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.182 -0.434 5.829 1.00 1.77 H new ATOM 857 N GLY A 56 3.147 3.554 8.259 1.00 1.30 N ATOM 858 CA GLY A 56 3.155 4.745 9.080 1.00 1.34 C ATOM 859 C GLY A 56 3.978 5.828 8.418 1.00 1.42 C ATOM 860 O GLY A 56 4.771 6.510 9.064 1.00 1.55 O ATOM 0 H GLY A 56 2.426 3.537 7.538 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.135 5.096 9.235 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.566 4.515 10.063 1.00 1.34 H new ATOM 864 N VAL A 57 3.793 5.966 7.110 1.00 1.37 N ATOM 865 CA VAL A 57 4.526 6.946 6.323 1.00 1.46 C ATOM 866 C VAL A 57 3.565 7.964 5.730 1.00 1.37 C ATOM 867 O VAL A 57 2.531 7.584 5.182 1.00 1.26 O ATOM 868 CB VAL A 57 5.307 6.276 5.166 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.465 7.149 4.710 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.800 4.897 5.568 1.00 1.63 C ATOM 0 H VAL A 57 3.135 5.405 6.570 1.00 1.37 H new ATOM 0 HA VAL A 57 5.234 7.436 6.992 1.00 1.46 H new ATOM 0 HB VAL A 57 4.621 6.159 4.327 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.996 6.654 3.897 1.00 1.70 H new ATOM 0 HG12 VAL A 57 6.082 8.109 4.362 1.00 1.70 H new ATOM 0 HG13 VAL A 57 7.148 7.311 5.543 1.00 1.70 H new ATOM 0 HG21 VAL A 57 6.345 4.449 4.737 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.461 4.984 6.431 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.949 4.267 5.825 1.00 1.63 H new ATOM 880 N PRO A 58 3.889 9.263 5.845 1.00 1.45 N ATOM 881 CA PRO A 58 3.054 10.340 5.306 1.00 1.41 C ATOM 882 C PRO A 58 2.857 10.211 3.797 1.00 1.35 C ATOM 883 O PRO A 58 3.748 9.745 3.080 1.00 1.39 O ATOM 884 CB PRO A 58 3.841 11.617 5.635 1.00 1.56 C ATOM 885 CG PRO A 58 5.226 11.158 5.938 1.00 1.67 C ATOM 886 CD PRO A 58 5.086 9.785 6.518 1.00 1.63 C ATOM 0 HA PRO A 58 2.051 10.327 5.733 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.832 12.312 4.795 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.405 12.140 6.486 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.838 11.140 5.036 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.715 11.831 6.642 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.963 9.170 6.316 1.00 1.63 H new ATOM 0 HD3 PRO A 58 4.960 9.815 7.600 1.00 1.63 H new ATOM 894 N LEU A 59 1.690 10.636 3.326 1.00 1.29 N ATOM 895 CA LEU A 59 1.343 10.569 1.908 1.00 1.26 C ATOM 896 C LEU A 59 2.407 11.195 0.989 1.00 1.34 C ATOM 897 O LEU A 59 2.859 10.535 0.057 1.00 1.35 O ATOM 898 CB LEU A 59 -0.019 11.225 1.664 1.00 1.25 C ATOM 899 CG LEU A 59 -1.226 10.317 1.881 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.504 11.139 1.900 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.288 9.257 0.796 1.00 1.54 C ATOM 0 H LEU A 59 0.958 11.036 3.913 1.00 1.29 H new ATOM 0 HA LEU A 59 1.296 9.511 1.651 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.111 12.089 2.322 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.046 11.600 0.641 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.122 9.818 2.844 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.358 10.480 2.055 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.456 11.868 2.709 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.616 11.660 0.949 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.154 8.616 0.963 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.375 9.738 -0.178 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.380 8.655 0.823 1.00 1.54 H new ATOM 913 N PRO A 60 2.842 12.456 1.230 1.00 1.42 N ATOM 914 CA PRO A 60 3.841 13.127 0.371 1.00 1.52 C ATOM 915 C PRO A 60 5.189 12.406 0.282 1.00 1.60 C ATOM 916 O PRO A 60 6.020 12.742 -0.566 1.00 1.79 O ATOM 917 CB PRO A 60 4.030 14.495 1.033 1.00 1.61 C ATOM 918 CG PRO A 60 2.805 14.705 1.846 1.00 1.56 C ATOM 919 CD PRO A 60 2.397 13.343 2.323 1.00 1.46 C ATOM 0 HA PRO A 60 3.487 13.161 -0.659 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.924 14.511 1.656 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.147 15.281 0.287 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.002 15.371 2.686 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.015 15.165 1.252 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.875 13.088 3.269 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.321 13.278 2.482 1.00 1.46 H new ATOM 927 N PHE A 61 5.413 11.423 1.143 1.00 1.55 N ATOM 928 CA PHE A 61 6.671 10.688 1.141 1.00 1.63 C ATOM 929 C PHE A 61 6.658 9.588 0.083 1.00 1.59 C ATOM 930 O PHE A 61 7.697 9.232 -0.473 1.00 1.70 O ATOM 931 CB PHE A 61 6.937 10.084 2.519 1.00 1.66 C ATOM 932 CG PHE A 61 8.393 10.061 2.895 1.00 1.80 C ATOM 933 CD1 PHE A 61 8.997 11.181 3.449 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.160 8.921 2.698 1.00 2.00 C ATOM 935 CE1 PHE A 61 10.335 11.164 3.796 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.498 8.901 3.043 1.00 2.25 C ATOM 937 CZ PHE A 61 11.085 10.023 3.595 1.00 2.34 C ATOM 0 H PHE A 61 4.744 11.117 1.849 1.00 1.55 H new ATOM 0 HA PHE A 61 7.471 11.389 0.900 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.386 10.652 3.268 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.548 9.066 2.541 1.00 1.66 H new ATOM 0 HD1 PHE A 61 8.415 12.076 3.611 1.00 1.95 H new ATOM 0 HD2 PHE A 61 8.706 8.039 2.270 1.00 2.00 H new ATOM 0 HE1 PHE A 61 10.793 12.043 4.224 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.084 8.009 2.881 1.00 2.25 H new ATOM 0 HZ PHE A 61 12.130 10.007 3.869 1.00 2.34 H new ATOM 947 N GLN A 62 5.476 9.073 -0.214 1.00 1.47 N ATOM 948 CA GLN A 62 5.337 8.002 -1.189 1.00 1.44 C ATOM 949 C GLN A 62 4.479 8.446 -2.369 1.00 1.40 C ATOM 950 O GLN A 62 4.046 9.596 -2.432 1.00 1.55 O ATOM 951 CB GLN A 62 4.738 6.760 -0.522 1.00 1.38 C ATOM 952 CG GLN A 62 3.449 7.031 0.238 1.00 1.35 C ATOM 953 CD GLN A 62 3.325 6.187 1.491 1.00 1.64 C ATOM 954 OE1 GLN A 62 3.856 5.077 1.568 1.00 2.14 O ATOM 955 NE2 GLN A 62 2.617 6.707 2.475 1.00 1.66 N ATOM 0 H GLN A 62 4.598 9.379 0.206 1.00 1.47 H new ATOM 0 HA GLN A 62 6.327 7.752 -1.572 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.547 6.006 -1.286 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.472 6.339 0.165 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.406 8.086 0.509 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.598 6.834 -0.414 1.00 1.35 H new ATOM 0 HE21 GLN A 62 2.195 7.629 2.368 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.491 6.187 3.343 1.00 1.66 H new ATOM 964 N LYS A 63 4.258 7.543 -3.313 1.00 1.42 N ATOM 965 CA LYS A 63 3.454 7.845 -4.487 1.00 1.38 C ATOM 966 C LYS A 63 2.574 6.649 -4.844 1.00 1.27 C ATOM 967 O LYS A 63 3.015 5.729 -5.530 1.00 1.31 O ATOM 968 CB LYS A 63 4.350 8.218 -5.674 1.00 1.51 C ATOM 969 CG LYS A 63 3.595 8.870 -6.818 1.00 1.64 C ATOM 970 CD LYS A 63 4.532 9.290 -7.934 1.00 1.73 C ATOM 971 CE LYS A 63 3.843 10.230 -8.904 1.00 1.94 C ATOM 972 NZ LYS A 63 4.812 10.905 -9.803 1.00 2.29 N ATOM 0 H LYS A 63 4.626 6.592 -3.288 1.00 1.42 H new ATOM 0 HA LYS A 63 2.814 8.697 -4.258 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.131 8.896 -5.331 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.846 7.320 -6.041 1.00 1.51 H new ATOM 0 HG2 LYS A 63 2.852 8.175 -7.208 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.054 9.741 -6.449 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.409 9.779 -7.511 1.00 1.73 H new ATOM 0 HD3 LYS A 63 4.885 8.407 -8.467 1.00 1.73 H new ATOM 0 HE2 LYS A 63 3.122 9.671 -9.501 1.00 1.94 H new ATOM 0 HE3 LYS A 63 3.282 10.980 -8.346 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.301 11.539 -10.451 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 5.485 11.459 -9.235 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.330 10.191 -10.354 1.00 2.29 H new ATOM 986 N LEU A 64 1.342 6.665 -4.355 1.00 1.16 N ATOM 987 CA LEU A 64 0.396 5.586 -4.609 1.00 1.06 C ATOM 988 C LEU A 64 -0.122 5.651 -6.043 1.00 1.05 C ATOM 989 O LEU A 64 -0.730 6.643 -6.448 1.00 1.06 O ATOM 990 CB LEU A 64 -0.770 5.675 -3.617 1.00 0.98 C ATOM 991 CG LEU A 64 -1.482 4.357 -3.287 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.381 3.919 -4.432 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.473 3.271 -2.961 1.00 1.06 C ATOM 0 H LEU A 64 0.972 7.419 -3.776 1.00 1.16 H new ATOM 0 HA LEU A 64 0.907 4.633 -4.475 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.397 6.104 -2.687 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.507 6.372 -4.017 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.107 4.525 -2.410 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -2.873 2.982 -4.170 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.134 4.685 -4.617 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -1.781 3.775 -5.331 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -0.998 2.344 -2.730 1.00 1.06 H new ATOM 0 HD22 LEU A 64 0.181 3.113 -3.818 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.123 3.575 -2.101 1.00 1.06 H new ATOM 1005 N ILE A 65 0.138 4.595 -6.800 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.297 4.510 -8.188 1.00 1.08 C ATOM 1007 C ILE A 65 -0.935 3.148 -8.459 1.00 1.05 C ATOM 1008 O ILE A 65 -0.243 2.172 -8.754 1.00 1.15 O ATOM 1009 CB ILE A 65 0.875 4.741 -9.174 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.521 6.110 -8.927 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.391 4.639 -10.616 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.722 6.390 -9.806 1.00 1.42 C ATOM 0 H ILE A 65 0.653 3.778 -6.473 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.032 5.298 -8.348 1.00 1.08 H new ATOM 0 HB ILE A 65 1.623 3.966 -9.004 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.775 6.888 -9.090 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.825 6.174 -7.882 1.00 1.27 H new ATOM 0 HG21 ILE A 65 1.229 4.804 -11.294 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.027 3.647 -10.790 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.376 5.392 -10.797 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.122 7.376 -9.572 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.488 5.635 -9.627 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.421 6.360 -10.853 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.254 3.088 -8.321 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.014 1.865 -8.552 1.00 0.91 C ATOM 1026 C PHE A 66 -4.506 2.171 -8.483 1.00 0.84 C ATOM 1027 O PHE A 66 -4.893 3.291 -8.145 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.656 0.784 -7.526 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.344 -0.557 -8.136 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.361 -1.410 -8.532 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.032 -0.964 -8.309 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -3.074 -2.644 -9.085 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.739 -2.196 -8.862 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.763 -3.037 -9.251 1.00 1.16 C ATOM 0 H PHE A 66 -2.827 3.886 -8.046 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.760 1.486 -9.542 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.795 1.118 -6.947 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.485 0.671 -6.828 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -4.390 -1.107 -8.407 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.227 -0.310 -8.008 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.877 -3.300 -9.387 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.289 -2.501 -8.990 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.537 -4.000 -9.684 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.333 1.179 -8.820 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.792 1.322 -8.803 1.00 0.89 C ATOM 1046 C LYS A 67 -7.258 2.339 -9.847 1.00 0.84 C ATOM 1047 O LYS A 67 -8.427 2.731 -9.865 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.299 1.745 -7.412 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.250 0.649 -6.357 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.746 1.160 -5.010 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.900 0.036 -3.993 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.756 0.434 -2.834 1.00 0.54 N ATOM 0 H LYS A 67 -5.012 0.256 -9.112 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.211 0.346 -9.046 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.705 2.591 -7.066 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.327 2.095 -7.506 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.861 -0.195 -6.677 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.228 0.283 -6.256 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.048 1.903 -4.625 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.704 1.662 -5.143 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -8.336 -0.836 -4.481 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.916 -0.260 -3.630 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.804 -0.350 -2.153 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.346 1.270 -2.371 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.714 0.659 -3.171 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.347 2.752 -10.725 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.680 3.736 -11.734 1.00 0.93 C ATOM 1068 C GLY A 68 -6.743 5.132 -11.148 1.00 0.94 C ATOM 1069 O GLY A 68 -7.337 6.041 -11.733 1.00 1.05 O ATOM 0 H GLY A 68 -5.383 2.420 -10.753 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -5.937 3.708 -12.531 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.640 3.486 -12.185 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.131 5.302 -9.984 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.126 6.586 -9.298 1.00 0.93 C ATOM 1075 C LYS A 69 -4.721 6.961 -8.852 1.00 0.96 C ATOM 1076 O LYS A 69 -3.757 6.230 -9.102 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.037 6.533 -8.067 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.215 5.585 -8.207 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.751 5.161 -6.850 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.522 6.284 -6.179 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.802 6.567 -6.879 1.00 1.50 N ATOM 0 H LYS A 69 -5.629 4.562 -9.493 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.491 7.337 -9.999 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.444 6.234 -7.203 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.413 7.535 -7.864 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.008 6.069 -8.778 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.909 4.703 -8.771 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.400 4.294 -6.969 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -7.923 4.854 -6.211 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -9.726 6.017 -5.142 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -8.910 7.186 -6.161 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.412 7.146 -6.267 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.609 7.082 -7.762 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.283 5.671 -7.099 1.00 1.50 H new ATOM 1095 N SER A 70 -4.626 8.098 -8.184 1.00 0.95 N ATOM 1096 CA SER A 70 -3.367 8.604 -7.664 1.00 1.00 C ATOM 1097 C SER A 70 -3.515 8.879 -6.170 1.00 0.93 C ATOM 1098 O SER A 70 -4.635 8.898 -5.652 1.00 0.89 O ATOM 1099 CB SER A 70 -2.973 9.889 -8.391 1.00 1.17 C ATOM 1100 OG SER A 70 -3.218 9.787 -9.783 1.00 1.46 O ATOM 0 H SER A 70 -5.425 8.700 -7.986 1.00 0.95 H new ATOM 0 HA SER A 70 -2.587 7.860 -7.825 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.535 10.728 -7.981 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.917 10.098 -8.219 1.00 1.17 H new ATOM 0 HG SER A 70 -2.959 10.623 -10.223 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.399 9.088 -5.481 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.431 9.361 -4.049 1.00 0.99 C ATOM 1108 C LEU A 71 -3.076 10.718 -3.760 1.00 1.00 C ATOM 1109 O LEU A 71 -2.634 11.751 -4.270 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.019 9.299 -3.442 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.101 10.491 -3.744 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.938 10.655 -2.646 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.580 10.322 -5.094 1.00 1.28 C ATOM 0 H LEU A 71 -1.464 9.074 -5.889 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.039 8.587 -3.581 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.115 9.205 -2.360 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.532 8.392 -3.799 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.715 11.391 -3.780 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.580 11.505 -2.877 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.437 10.827 -1.694 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.543 9.751 -2.579 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.225 11.179 -5.286 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.179 9.411 -5.088 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.176 10.254 -5.877 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.142 10.691 -2.965 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.868 11.893 -2.572 1.00 0.99 C ATOM 1127 C LYS A 72 -6.057 11.507 -1.710 1.00 0.95 C ATOM 1128 O LYS A 72 -6.658 10.452 -1.912 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.354 12.675 -3.796 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.480 14.172 -3.551 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.757 14.933 -4.838 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.473 15.313 -5.566 1.00 1.62 C ATOM 1133 NZ LYS A 72 -3.771 14.127 -6.121 1.00 1.90 N ATOM 0 H LYS A 72 -4.527 9.831 -2.574 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.189 12.533 -2.008 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.663 12.507 -4.622 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.323 12.283 -4.106 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -6.284 14.357 -2.839 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.561 14.545 -3.099 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.378 14.322 -5.493 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.325 15.835 -4.610 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -4.707 16.006 -6.374 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -3.809 15.837 -4.879 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -3.209 14.412 -6.948 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -3.142 13.725 -5.397 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -4.470 13.412 -6.407 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.390 12.358 -0.752 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.517 12.113 0.139 1.00 1.01 C ATOM 1149 C GLU A 73 -8.843 12.274 -0.596 1.00 0.98 C ATOM 1150 O GLU A 73 -9.896 11.897 -0.090 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.462 13.067 1.332 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.243 12.864 2.214 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.114 13.819 1.889 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -4.881 14.101 0.691 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -4.454 14.296 2.834 1.00 1.98 O ATOM 0 H GLU A 73 -5.893 13.230 -0.570 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.448 11.086 0.497 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.469 14.094 0.967 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -8.362 12.936 1.933 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.531 12.992 3.258 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.888 11.839 2.104 1.00 1.33 H new ATOM 1162 N MET A 74 -8.784 12.848 -1.786 1.00 1.01 N ATOM 1163 CA MET A 74 -9.971 13.053 -2.599 1.00 1.03 C ATOM 1164 C MET A 74 -9.591 13.123 -4.069 1.00 1.05 C ATOM 1165 O MET A 74 -9.756 14.152 -4.724 1.00 1.16 O ATOM 1166 CB MET A 74 -10.720 14.321 -2.168 1.00 1.15 C ATOM 1167 CG MET A 74 -9.811 15.481 -1.787 1.00 1.26 C ATOM 1168 SD MET A 74 -10.664 16.730 -0.807 1.00 1.65 S ATOM 1169 CE MET A 74 -11.799 17.393 -2.021 1.00 1.77 C ATOM 0 H MET A 74 -7.920 13.182 -2.213 1.00 1.01 H new ATOM 0 HA MET A 74 -10.641 12.206 -2.452 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.374 14.638 -2.981 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.360 14.081 -1.319 1.00 1.15 H new ATOM 0 HG2 MET A 74 -8.959 15.101 -1.224 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.415 15.941 -2.692 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.375 18.204 -1.576 1.00 1.77 H new ATOM 0 HE2 MET A 74 -11.238 17.773 -2.875 1.00 1.77 H new ATOM 0 HE3 MET A 74 -12.476 16.606 -2.353 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.058 12.018 -4.570 1.00 1.07 N ATOM 1180 CA GLU A 75 -8.639 11.930 -5.959 1.00 1.14 C ATOM 1181 C GLU A 75 -9.836 11.716 -6.879 1.00 1.13 C ATOM 1182 O GLU A 75 -10.249 12.628 -7.592 1.00 1.31 O ATOM 1183 CB GLU A 75 -7.625 10.795 -6.136 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.014 10.732 -7.526 1.00 1.28 C ATOM 1185 CD GLU A 75 -6.404 12.050 -7.957 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -5.390 12.463 -7.365 1.00 1.89 O ATOM 1187 OE2 GLU A 75 -6.939 12.676 -8.893 1.00 1.65 O ATOM 0 H GLU A 75 -8.905 11.166 -4.031 1.00 1.07 H new ATOM 0 HA GLU A 75 -8.166 12.873 -6.231 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -6.827 10.915 -5.403 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.115 9.845 -5.921 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.247 9.958 -7.547 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -7.781 10.440 -8.243 1.00 1.28 H new ATOM 1194 N THR A 76 -10.394 10.515 -6.855 1.00 1.06 N ATOM 1195 CA THR A 76 -11.531 10.187 -7.699 1.00 1.09 C ATOM 1196 C THR A 76 -12.646 9.532 -6.878 1.00 1.04 C ATOM 1197 O THR A 76 -12.386 9.020 -5.786 1.00 0.98 O ATOM 1198 CB THR A 76 -11.094 9.261 -8.852 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.935 8.512 -8.463 1.00 1.07 O ATOM 1200 CG2 THR A 76 -10.774 10.069 -10.096 1.00 1.29 C ATOM 0 H THR A 76 -10.077 9.751 -6.259 1.00 1.06 H new ATOM 0 HA THR A 76 -11.920 11.112 -8.124 1.00 1.09 H new ATOM 0 HB THR A 76 -11.915 8.580 -9.074 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.478 8.178 -9.263 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.468 9.397 -10.898 1.00 1.29 H new ATOM 0 HG22 THR A 76 -11.659 10.625 -10.407 1.00 1.29 H new ATOM 0 HG23 THR A 76 -9.965 10.767 -9.879 1.00 1.29 H new ATOM 1208 N PRO A 77 -13.891 9.540 -7.411 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.097 8.990 -6.765 1.00 1.14 C ATOM 1210 C PRO A 77 -14.895 7.691 -5.978 1.00 1.01 C ATOM 1211 O PRO A 77 -14.018 6.874 -6.289 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.063 8.747 -7.938 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.374 9.245 -9.167 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.242 10.115 -8.710 1.00 1.24 C ATOM 0 HA PRO A 77 -15.452 9.688 -6.007 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.302 7.688 -8.030 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.004 9.274 -7.781 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -15.004 8.413 -9.766 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.064 9.808 -9.795 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.403 10.084 -9.405 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.545 11.158 -8.621 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.759 7.510 -4.977 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.729 6.345 -4.093 1.00 0.97 C ATOM 1224 C LEU A 78 -15.976 5.056 -4.861 1.00 0.95 C ATOM 1225 O LEU A 78 -15.334 4.039 -4.610 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.783 6.490 -2.990 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.412 7.419 -1.832 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -16.600 8.875 -2.225 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -17.241 7.087 -0.600 1.00 1.22 C ATOM 0 H LEU A 78 -16.503 8.172 -4.756 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.735 6.295 -3.648 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.706 6.854 -3.441 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.995 5.501 -2.584 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.359 7.266 -1.594 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.330 9.516 -1.386 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -15.963 9.107 -3.078 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -17.642 9.048 -2.493 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.966 7.756 0.215 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -18.299 7.211 -0.829 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -17.053 6.056 -0.302 1.00 1.22 H new ATOM 1241 N SER A 79 -16.905 5.103 -5.802 1.00 1.07 N ATOM 1242 CA SER A 79 -17.227 3.937 -6.608 1.00 1.12 C ATOM 1243 C SER A 79 -16.014 3.482 -7.416 1.00 1.00 C ATOM 1244 O SER A 79 -15.906 2.318 -7.798 1.00 1.04 O ATOM 1245 CB SER A 79 -18.394 4.261 -7.534 1.00 1.31 C ATOM 1246 OG SER A 79 -19.402 4.962 -6.826 1.00 1.68 O ATOM 0 H SER A 79 -17.449 5.936 -6.026 1.00 1.07 H new ATOM 0 HA SER A 79 -17.512 3.120 -5.945 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.045 4.862 -8.374 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.804 3.341 -7.949 1.00 1.31 H new ATOM 0 HG SER A 79 -19.336 4.753 -5.871 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.090 4.403 -7.642 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.880 4.112 -8.390 1.00 0.88 C ATOM 1254 C ALA A 80 -12.707 3.903 -7.440 1.00 0.74 C ATOM 1255 O ALA A 80 -11.550 4.069 -7.817 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.584 5.244 -9.364 1.00 1.02 C ATOM 0 H ALA A 80 -15.158 5.366 -7.314 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.029 3.194 -8.958 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.675 5.017 -9.920 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.417 5.353 -10.059 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.448 6.174 -8.811 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.013 3.561 -6.194 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.987 3.321 -5.185 1.00 0.55 C ATOM 1264 C LEU A 81 -11.623 1.842 -5.144 1.00 0.52 C ATOM 1265 O LEU A 81 -10.887 1.393 -4.263 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.486 3.757 -3.802 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.633 4.791 -3.064 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.164 4.395 -3.068 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.827 6.172 -3.668 1.00 0.75 C ATOM 0 H LEU A 81 -13.968 3.443 -5.857 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.105 3.904 -5.450 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.492 4.162 -3.914 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.567 2.870 -3.173 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.963 4.823 -2.026 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.583 5.148 -2.537 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.046 3.430 -2.574 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.810 4.322 -4.096 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.213 6.894 -3.130 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.532 6.155 -4.717 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.876 6.459 -3.590 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.128 1.090 -6.107 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.871 -0.330 -6.140 1.00 0.62 C ATOM 1283 C GLY A 82 -12.939 -1.079 -5.378 1.00 0.63 C ATOM 1284 O GLY A 82 -12.701 -1.557 -4.269 1.00 0.64 O ATOM 0 H GLY A 82 -12.712 1.439 -6.867 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.842 -0.676 -7.173 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.893 -0.539 -5.707 1.00 0.62 H new ATOM 1288 N MET A 83 -14.120 -1.171 -5.981 1.00 0.84 N ATOM 1289 CA MET A 83 -15.270 -1.835 -5.366 1.00 1.01 C ATOM 1290 C MET A 83 -15.114 -3.359 -5.360 1.00 0.98 C ATOM 1291 O MET A 83 -15.937 -4.093 -5.910 1.00 1.26 O ATOM 1292 CB MET A 83 -16.555 -1.439 -6.100 1.00 1.34 C ATOM 1293 CG MET A 83 -16.528 -1.743 -7.589 1.00 1.54 C ATOM 1294 SD MET A 83 -18.096 -1.395 -8.400 1.00 2.03 S ATOM 1295 CE MET A 83 -17.796 -2.127 -10.006 1.00 2.27 C ATOM 0 H MET A 83 -14.309 -0.789 -6.908 1.00 0.84 H new ATOM 0 HA MET A 83 -15.327 -1.507 -4.328 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.397 -1.962 -5.647 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.729 -0.372 -5.959 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.741 -1.154 -8.061 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.273 -2.792 -7.736 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.677 -1.997 -10.635 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.941 -1.640 -10.474 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.588 -3.190 -9.888 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.055 -3.822 -4.729 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.777 -5.239 -4.625 1.00 0.89 C ATOM 1307 C GLN A 84 -13.206 -5.535 -3.248 1.00 0.84 C ATOM 1308 O GLN A 84 -13.309 -4.704 -2.347 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.823 -5.692 -5.734 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.619 -4.789 -5.930 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.881 -5.075 -7.226 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.991 -5.924 -7.278 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.240 -4.366 -8.284 1.00 1.38 N ATOM 0 H GLN A 84 -13.363 -3.227 -4.274 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.703 -5.800 -4.751 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.474 -6.699 -5.508 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.376 -5.749 -6.672 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.944 -3.749 -5.923 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.935 -4.914 -5.091 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.982 -3.671 -8.204 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.775 -4.515 -9.179 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.583 -6.690 -3.081 1.00 0.74 N ATOM 1323 CA ASN A 85 -12.031 -7.059 -1.786 1.00 0.78 C ATOM 1324 C ASN A 85 -10.692 -6.382 -1.505 1.00 0.72 C ATOM 1325 O ASN A 85 -9.710 -7.040 -1.171 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.895 -8.576 -1.656 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.175 -9.226 -2.817 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.802 -9.659 -3.784 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.861 -9.315 -2.723 1.00 1.09 N ATOM 0 H ASN A 85 -12.447 -7.383 -3.817 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.739 -6.703 -1.037 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.360 -8.806 -0.734 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.889 -9.014 -1.566 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.325 -9.756 -3.470 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.382 -8.942 -1.903 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.664 -5.063 -1.626 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.450 -4.319 -1.360 1.00 0.57 C ATOM 1338 C GLY A 86 -8.607 -4.077 -2.592 1.00 0.51 C ATOM 1339 O GLY A 86 -8.173 -2.948 -2.826 1.00 0.49 O ATOM 0 H GLY A 86 -11.463 -4.493 -1.904 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.712 -3.359 -0.915 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.856 -4.860 -0.624 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.387 -5.132 -3.375 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.578 -5.059 -4.591 1.00 0.62 C ATOM 1345 C CYS A 87 -6.095 -4.924 -4.225 1.00 0.65 C ATOM 1346 O CYS A 87 -5.640 -5.501 -3.234 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.027 -3.897 -5.495 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.427 -4.000 -7.203 1.00 0.79 S ATOM 0 H CYS A 87 -8.764 -6.060 -3.185 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.720 -5.982 -5.153 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.116 -3.863 -5.507 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.683 -2.959 -5.058 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.210 -4.776 -7.892 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.340 -4.176 -5.022 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.916 -3.986 -4.771 1.00 0.77 C ATOM 1356 C ARG A 88 -3.547 -2.518 -4.916 1.00 0.75 C ATOM 1357 O ARG A 88 -4.233 -1.769 -5.612 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.070 -4.816 -5.750 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.304 -6.318 -5.668 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.341 -6.774 -6.682 1.00 1.11 C ATOM 1361 NE ARG A 88 -3.842 -6.691 -8.053 1.00 1.27 N ATOM 1362 CZ ARG A 88 -4.622 -6.706 -9.132 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -5.945 -6.707 -9.006 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -4.074 -6.696 -10.338 1.00 1.74 N ATOM 0 H ARG A 88 -5.691 -3.691 -5.848 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.710 -4.318 -3.754 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.281 -4.483 -6.766 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.016 -4.614 -5.561 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.366 -6.844 -5.843 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.635 -6.582 -4.663 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.633 -7.801 -6.464 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.237 -6.161 -6.585 1.00 1.11 H new ATOM 0 HE ARG A 88 -2.834 -6.617 -8.192 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.369 -6.696 -8.078 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -6.536 -6.719 -9.837 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -3.059 -6.677 -10.437 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -4.667 -6.707 -11.168 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.482 -2.109 -4.238 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.997 -0.737 -4.310 1.00 0.79 C ATOM 1380 C VAL A 89 -0.475 -0.724 -4.225 1.00 0.92 C ATOM 1381 O VAL A 89 0.117 -1.368 -3.357 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.580 0.175 -3.200 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -4.035 0.530 -3.478 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.442 -0.464 -1.829 1.00 0.69 C ATOM 0 H VAL A 89 -1.934 -2.714 -3.627 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.334 -0.336 -5.266 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.999 1.098 -3.205 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.412 1.170 -2.680 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.106 1.056 -4.430 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.630 -0.382 -3.523 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.860 0.201 -1.074 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.978 -1.413 -1.814 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.388 -0.640 -1.614 1.00 0.69 H new ATOM 1394 N MET A 90 0.159 -0.008 -5.138 1.00 0.97 N ATOM 1395 CA MET A 90 1.609 0.074 -5.152 1.00 1.10 C ATOM 1396 C MET A 90 2.050 1.526 -5.060 1.00 1.14 C ATOM 1397 O MET A 90 1.362 2.426 -5.545 1.00 1.13 O ATOM 1398 CB MET A 90 2.180 -0.581 -6.420 1.00 1.21 C ATOM 1399 CG MET A 90 2.385 0.376 -7.587 1.00 1.49 C ATOM 1400 SD MET A 90 3.026 -0.442 -9.059 1.00 1.66 S ATOM 1401 CE MET A 90 3.447 0.980 -10.063 1.00 2.09 C ATOM 0 H MET A 90 -0.305 0.522 -5.876 1.00 0.97 H new ATOM 0 HA MET A 90 1.995 -0.467 -4.288 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.135 -1.045 -6.175 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.509 -1.380 -6.735 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.436 0.856 -7.828 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.074 1.165 -7.287 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.860 0.644 -11.014 1.00 2.09 H new ATOM 0 HE2 MET A 90 2.552 1.575 -10.245 1.00 2.09 H new ATOM 0 HE3 MET A 90 4.186 1.588 -9.541 1.00 2.09 H new ATOM 1411 N LEU A 91 3.188 1.758 -4.432 1.00 1.21 N ATOM 1412 CA LEU A 91 3.704 3.105 -4.290 1.00 1.27 C ATOM 1413 C LEU A 91 5.164 3.179 -4.705 1.00 1.41 C ATOM 1414 O LEU A 91 5.953 2.270 -4.431 1.00 1.47 O ATOM 1415 CB LEU A 91 3.482 3.679 -2.862 1.00 1.22 C ATOM 1416 CG LEU A 91 4.193 3.012 -1.656 1.00 1.27 C ATOM 1417 CD1 LEU A 91 3.990 1.508 -1.626 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.676 3.361 -1.606 1.00 1.42 C ATOM 0 H LEU A 91 3.770 1.033 -4.014 1.00 1.21 H new ATOM 0 HA LEU A 91 3.132 3.738 -4.968 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.782 4.727 -2.880 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.410 3.657 -2.663 1.00 1.22 H new ATOM 0 HG LEU A 91 3.723 3.421 -0.762 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.507 1.088 -0.763 1.00 1.25 H new ATOM 0 HD12 LEU A 91 2.925 1.286 -1.554 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.392 1.068 -2.539 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.136 2.873 -0.746 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.161 3.019 -2.520 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.793 4.441 -1.516 1.00 1.42 H new ATOM 1430 N ILE A 92 5.501 4.255 -5.397 1.00 1.50 N ATOM 1431 CA ILE A 92 6.861 4.482 -5.848 1.00 1.65 C ATOM 1432 C ILE A 92 7.542 5.478 -4.922 1.00 1.71 C ATOM 1433 O ILE A 92 7.186 6.654 -4.887 1.00 1.89 O ATOM 1434 CB ILE A 92 6.906 5.008 -7.300 1.00 1.74 C ATOM 1435 CG1 ILE A 92 6.067 4.110 -8.217 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.347 5.084 -7.795 1.00 1.96 C ATOM 1437 CD1 ILE A 92 6.049 4.552 -9.666 1.00 1.79 C ATOM 0 H ILE A 92 4.844 4.990 -5.660 1.00 1.50 H new ATOM 0 HA ILE A 92 7.386 3.527 -5.825 1.00 1.65 H new ATOM 0 HB ILE A 92 6.484 6.013 -7.320 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.453 3.092 -8.163 1.00 1.66 H new ATOM 0 HG13 ILE A 92 5.043 4.083 -7.844 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.361 5.456 -8.819 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.916 5.759 -7.156 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.795 4.091 -7.764 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.434 3.865 -10.248 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.634 5.558 -9.735 1.00 1.79 H new ATOM 0 HD13 ILE A 92 7.066 4.552 -10.059 1.00 1.79 H new ATOM 1449 N GLY A 93 8.497 4.994 -4.149 1.00 1.73 N ATOM 1450 CA GLY A 93 9.205 5.847 -3.222 1.00 1.80 C ATOM 1451 C GLY A 93 9.871 5.040 -2.130 1.00 1.84 C ATOM 1452 O GLY A 93 10.438 3.980 -2.401 1.00 1.89 O ATOM 0 H GLY A 93 8.797 4.019 -4.147 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.956 6.426 -3.759 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.511 6.560 -2.778 1.00 1.80 H new ATOM 1456 N GLU A 94 9.784 5.516 -0.897 1.00 1.88 N ATOM 1457 CA GLU A 94 10.387 4.822 0.230 1.00 1.97 C ATOM 1458 C GLU A 94 9.380 4.681 1.365 1.00 1.80 C ATOM 1459 O GLU A 94 8.420 5.445 1.449 1.00 1.84 O ATOM 1460 CB GLU A 94 11.633 5.568 0.709 1.00 2.22 C ATOM 1461 CG GLU A 94 12.675 4.661 1.343 1.00 2.66 C ATOM 1462 CD GLU A 94 13.979 5.378 1.623 1.00 2.63 C ATOM 1463 OE1 GLU A 94 14.687 5.726 0.657 1.00 3.03 O ATOM 1464 OE2 GLU A 94 14.299 5.599 2.807 1.00 2.85 O ATOM 0 H GLU A 94 9.301 6.380 -0.652 1.00 1.88 H new ATOM 0 HA GLU A 94 10.685 3.825 -0.094 1.00 1.97 H new ATOM 0 HB2 GLU A 94 12.082 6.089 -0.136 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.336 6.328 1.431 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.280 4.256 2.275 1.00 2.66 H new ATOM 0 HG3 GLU A 94 12.865 3.815 0.683 1.00 2.66 H new ATOM 1471 N LYS A 95 9.599 3.699 2.227 1.00 1.82 N ATOM 1472 CA LYS A 95 8.711 3.454 3.350 1.00 1.72 C ATOM 1473 C LYS A 95 9.467 3.592 4.665 1.00 1.77 C ATOM 1474 O LYS A 95 10.440 2.882 4.906 1.00 1.96 O ATOM 1475 CB LYS A 95 8.092 2.059 3.245 1.00 1.81 C ATOM 1476 CG LYS A 95 6.723 2.042 2.579 1.00 1.79 C ATOM 1477 CD LYS A 95 6.252 0.619 2.322 1.00 2.06 C ATOM 1478 CE LYS A 95 4.790 0.574 1.909 1.00 2.15 C ATOM 1479 NZ LYS A 95 3.880 0.438 3.078 1.00 2.38 N ATOM 0 H LYS A 95 10.389 3.057 2.168 1.00 1.82 H new ATOM 0 HA LYS A 95 7.912 4.195 3.325 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.767 1.414 2.683 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.004 1.635 4.245 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.001 2.557 3.213 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.768 2.588 1.637 1.00 1.79 H new ATOM 0 HD2 LYS A 95 6.864 0.169 1.541 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.394 0.021 3.222 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.541 1.482 1.361 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.632 -0.263 1.228 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 2.911 0.259 2.745 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 4.194 -0.356 3.672 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 3.897 1.316 3.635 1.00 2.38 H new ATOM 1493 N SER A 96 9.025 4.520 5.496 1.00 1.80 N ATOM 1494 CA SER A 96 9.649 4.748 6.790 1.00 1.92 C ATOM 1495 C SER A 96 8.829 4.097 7.901 1.00 1.83 C ATOM 1496 O SER A 96 7.738 4.563 8.233 1.00 1.95 O ATOM 1497 CB SER A 96 9.779 6.250 7.047 1.00 2.15 C ATOM 1498 OG SER A 96 10.197 6.930 5.874 1.00 2.38 O ATOM 0 H SER A 96 8.233 5.131 5.297 1.00 1.80 H new ATOM 0 HA SER A 96 10.642 4.298 6.783 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.822 6.650 7.382 1.00 2.15 H new ATOM 0 HB3 SER A 96 10.496 6.425 7.849 1.00 2.15 H new ATOM 0 HG SER A 96 10.272 7.889 6.061 1.00 2.38 H new ATOM 1504 N ASN A 97 9.345 3.016 8.462 1.00 1.89 N ATOM 1505 CA ASN A 97 8.657 2.312 9.536 1.00 1.93 C ATOM 1506 C ASN A 97 9.621 2.020 10.670 1.00 2.29 C ATOM 1507 O ASN A 97 10.702 1.455 10.396 1.00 2.53 O ATOM 1508 CB ASN A 97 8.038 1.011 9.026 1.00 1.89 C ATOM 1509 CG ASN A 97 7.486 0.149 10.150 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.142 -0.786 10.612 1.00 2.24 O ATOM 1511 ND2 ASN A 97 6.279 0.457 10.603 1.00 1.96 N ATOM 1512 OXT ASN A 97 9.305 2.372 11.822 1.00 2.61 O ATOM 0 H ASN A 97 10.239 2.605 8.193 1.00 1.89 H new ATOM 0 HA ASN A 97 7.855 2.952 9.905 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.237 1.244 8.324 1.00 1.89 H new ATOM 0 HB3 ASN A 97 8.790 0.446 8.475 1.00 1.89 H new ATOM 0 HD21 ASN A 97 5.864 -0.087 11.359 1.00 1.96 H new ATOM 0 HD22 ASN A 97 5.765 1.239 10.196 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 24.845 6.457 4.516 1.00 5.24 N ATOM 1521 CA ARG B 185 23.534 6.931 4.017 1.00 5.09 C ATOM 1522 C ARG B 185 22.425 6.581 5.001 1.00 5.04 C ATOM 1523 O ARG B 185 22.395 5.481 5.549 1.00 4.90 O ATOM 1524 CB ARG B 185 23.217 6.324 2.641 1.00 4.43 C ATOM 1525 CG ARG B 185 23.305 4.806 2.597 1.00 4.00 C ATOM 1526 CD ARG B 185 22.269 4.210 1.654 1.00 3.44 C ATOM 1527 NE ARG B 185 22.443 4.663 0.274 1.00 3.76 N ATOM 1528 CZ ARG B 185 22.863 3.881 -0.722 1.00 3.61 C ATOM 1529 NH1 ARG B 185 23.199 2.618 -0.493 1.00 3.10 N ATOM 1530 NH2 ARG B 185 22.952 4.358 -1.954 1.00 4.24 N ATOM 0 HA ARG B 185 23.590 8.015 3.916 1.00 5.09 H new ATOM 0 HB2 ARG B 185 22.213 6.628 2.344 1.00 4.43 H new ATOM 0 HB3 ARG B 185 23.906 6.739 1.905 1.00 4.43 H new ATOM 0 HG2 ARG B 185 24.303 4.508 2.276 1.00 4.00 H new ATOM 0 HG3 ARG B 185 23.159 4.404 3.599 1.00 4.00 H new ATOM 0 HD2 ARG B 185 22.335 3.122 1.687 1.00 3.44 H new ATOM 0 HD3 ARG B 185 21.271 4.480 1.999 1.00 3.44 H new ATOM 0 HE ARG B 185 22.230 5.637 0.060 1.00 3.76 H new ATOM 0 HH11 ARG B 185 23.137 2.237 0.451 1.00 3.10 H new ATOM 0 HH12 ARG B 185 23.519 2.028 -1.261 1.00 3.10 H new ATOM 0 HH21 ARG B 185 22.699 5.327 -2.145 1.00 4.24 H new ATOM 0 HH22 ARG B 185 23.274 3.756 -2.712 1.00 4.24 H new ATOM 1546 N TYR B 186 21.503 7.512 5.212 1.00 5.30 N ATOM 1547 CA TYR B 186 20.392 7.291 6.129 1.00 5.40 C ATOM 1548 C TYR B 186 19.147 6.852 5.362 1.00 4.76 C ATOM 1549 O TYR B 186 18.056 7.392 5.551 1.00 4.97 O ATOM 1550 CB TYR B 186 20.110 8.553 6.958 1.00 6.21 C ATOM 1551 CG TYR B 186 20.158 9.848 6.169 1.00 6.50 C ATOM 1552 CD1 TYR B 186 19.041 10.317 5.491 1.00 6.39 C ATOM 1553 CD2 TYR B 186 21.321 10.605 6.117 1.00 7.04 C ATOM 1554 CE1 TYR B 186 19.084 11.499 4.779 1.00 6.82 C ATOM 1555 CE2 TYR B 186 21.371 11.787 5.406 1.00 7.46 C ATOM 1556 CZ TYR B 186 20.250 12.230 4.741 1.00 7.36 C ATOM 1557 OH TYR B 186 20.295 13.408 4.032 1.00 7.91 O ATOM 0 H TYR B 186 21.503 8.427 4.761 1.00 5.30 H new ATOM 0 HA TYR B 186 20.668 6.493 6.818 1.00 5.40 H new ATOM 0 HB2 TYR B 186 19.126 8.458 7.417 1.00 6.21 H new ATOM 0 HB3 TYR B 186 20.836 8.609 7.769 1.00 6.21 H new ATOM 0 HD1 TYR B 186 18.124 9.748 5.521 1.00 6.39 H new ATOM 0 HD2 TYR B 186 22.201 10.263 6.642 1.00 7.04 H new ATOM 0 HE1 TYR B 186 18.207 11.849 4.254 1.00 6.82 H new ATOM 0 HE2 TYR B 186 22.285 12.361 5.372 1.00 7.46 H new ATOM 0 HH TYR B 186 21.190 13.801 4.107 1.00 7.91 H new ATOM 1567 N HIS B 187 19.321 5.866 4.494 1.00 4.11 N ATOM 1568 CA HIS B 187 18.221 5.348 3.690 1.00 3.50 C ATOM 1569 C HIS B 187 18.170 3.833 3.786 1.00 2.93 C ATOM 1570 O HIS B 187 19.024 3.138 3.231 1.00 2.65 O ATOM 1571 CB HIS B 187 18.368 5.768 2.223 1.00 3.36 C ATOM 1572 CG HIS B 187 17.827 7.132 1.927 1.00 3.78 C ATOM 1573 ND1 HIS B 187 16.564 7.351 1.429 1.00 4.02 N ATOM 1574 CD2 HIS B 187 18.394 8.353 2.053 1.00 4.34 C ATOM 1575 CE1 HIS B 187 16.376 8.643 1.259 1.00 4.46 C ATOM 1576 NE2 HIS B 187 17.471 9.276 1.632 1.00 4.67 N ATOM 0 H HIS B 187 20.216 5.407 4.327 1.00 4.11 H new ATOM 0 HA HIS B 187 17.293 5.766 4.079 1.00 3.50 H new ATOM 0 HB2 HIS B 187 19.423 5.739 1.951 1.00 3.36 H new ATOM 0 HB3 HIS B 187 17.856 5.040 1.594 1.00 3.36 H new ATOM 0 HD1 HIS B 187 15.878 6.624 1.223 1.00 4.02 H new ATOM 0 HD2 HIS B 187 19.389 8.563 2.417 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.477 9.106 0.879 1.00 4.46 H new ATOM 1585 N ARG B 188 17.184 3.332 4.513 1.00 2.96 N ATOM 1586 CA ARG B 188 17.008 1.898 4.688 1.00 2.79 C ATOM 1587 C ARG B 188 16.672 1.224 3.359 1.00 2.14 C ATOM 1588 O ARG B 188 15.886 1.750 2.567 1.00 1.99 O ATOM 1589 CB ARG B 188 15.911 1.615 5.725 1.00 3.34 C ATOM 1590 CG ARG B 188 14.492 1.810 5.204 1.00 3.55 C ATOM 1591 CD ARG B 188 13.752 2.901 5.960 1.00 3.79 C ATOM 1592 NE ARG B 188 13.871 4.204 5.306 1.00 3.55 N ATOM 1593 CZ ARG B 188 13.670 5.364 5.922 1.00 3.89 C ATOM 1594 NH1 ARG B 188 13.337 5.390 7.206 1.00 4.48 N ATOM 1595 NH2 ARG B 188 13.801 6.496 5.248 1.00 4.04 N ATOM 0 H ARG B 188 16.488 3.902 4.995 1.00 2.96 H new ATOM 0 HA ARG B 188 17.948 1.482 5.052 1.00 2.79 H new ATOM 0 HB2 ARG B 188 16.018 0.590 6.080 1.00 3.34 H new ATOM 0 HB3 ARG B 188 16.063 2.267 6.585 1.00 3.34 H new ATOM 0 HG2 ARG B 188 14.527 2.063 4.144 1.00 3.55 H new ATOM 0 HG3 ARG B 188 13.942 0.873 5.290 1.00 3.55 H new ATOM 0 HD2 ARG B 188 12.699 2.633 6.043 1.00 3.79 H new ATOM 0 HD3 ARG B 188 14.145 2.968 6.975 1.00 3.79 H new ATOM 0 HE ARG B 188 14.123 4.223 4.318 1.00 3.55 H new ATOM 0 HH11 ARG B 188 13.234 4.517 7.724 1.00 4.48 H new ATOM 0 HH12 ARG B 188 13.184 6.283 7.675 1.00 4.48 H new ATOM 0 HH21 ARG B 188 14.055 6.475 4.260 1.00 4.04 H new ATOM 0 HH22 ARG B 188 13.648 7.389 5.716 1.00 4.04 H new ATOM 1609 N ARG B 189 17.286 0.063 3.127 1.00 2.02 N ATOM 1610 CA ARG B 189 17.073 -0.715 1.905 1.00 1.77 C ATOM 1611 C ARG B 189 17.406 0.097 0.655 1.00 1.33 C ATOM 1612 O ARG B 189 16.745 -0.042 -0.371 1.00 1.67 O ATOM 1613 CB ARG B 189 15.630 -1.224 1.818 1.00 2.37 C ATOM 1614 CG ARG B 189 15.223 -2.140 2.956 1.00 3.12 C ATOM 1615 CD ARG B 189 14.184 -1.480 3.844 1.00 3.82 C ATOM 1616 NE ARG B 189 13.315 -2.453 4.492 1.00 4.33 N ATOM 1617 CZ ARG B 189 12.059 -2.701 4.114 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.542 -2.089 3.055 1.00 4.91 N ATOM 1619 NH2 ARG B 189 11.322 -3.575 4.786 1.00 5.48 N ATOM 0 H ARG B 189 17.944 -0.364 3.779 1.00 2.02 H new ATOM 0 HA ARG B 189 17.749 -1.569 1.952 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.956 -0.368 1.797 1.00 2.37 H new ATOM 0 HB3 ARG B 189 15.500 -1.755 0.875 1.00 2.37 H new ATOM 0 HG2 ARG B 189 14.823 -3.070 2.553 1.00 3.12 H new ATOM 0 HG3 ARG B 189 16.100 -2.400 3.549 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.686 -0.881 4.604 1.00 3.82 H new ATOM 0 HD3 ARG B 189 13.580 -0.797 3.247 1.00 3.82 H new ATOM 0 HE ARG B 189 13.689 -2.977 5.283 1.00 4.33 H new ATOM 0 HH11 ARG B 189 12.105 -1.424 2.525 1.00 4.91 H new ATOM 0 HH12 ARG B 189 10.582 -2.283 2.772 1.00 4.91 H new ATOM 0 HH21 ARG B 189 11.715 -4.059 5.593 1.00 5.48 H new ATOM 0 HH22 ARG B 189 10.362 -3.763 4.496 1.00 5.48 H new ATOM 1633 N GLY B 190 18.435 0.930 0.739 1.00 1.17 N ATOM 1634 CA GLY B 190 18.826 1.738 -0.401 1.00 1.54 C ATOM 1635 C GLY B 190 19.743 0.983 -1.340 1.00 1.70 C ATOM 1636 O GLY B 190 20.877 1.395 -1.575 1.00 1.97 O ATOM 0 H GLY B 190 19.005 1.061 1.574 1.00 1.17 H new ATOM 0 HA2 GLY B 190 17.935 2.057 -0.942 1.00 1.54 H new ATOM 0 HA3 GLY B 190 19.327 2.640 -0.051 1.00 1.54 H new ATOM 1640 N GLY B 191 19.255 -0.123 -1.883 1.00 1.91 N ATOM 1641 CA GLY B 191 20.064 -0.927 -2.781 1.00 2.36 C ATOM 1642 C GLY B 191 20.853 -1.971 -2.020 1.00 2.17 C ATOM 1643 O GLY B 191 21.579 -2.780 -2.605 1.00 2.71 O ATOM 0 H GLY B 191 18.313 -0.479 -1.719 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.422 -1.415 -3.514 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.747 -0.283 -3.334 1.00 2.36 H new ATOM 1647 N TYR B 192 20.690 -1.940 -0.708 1.00 1.71 N ATOM 1648 CA TYR B 192 21.355 -2.858 0.195 1.00 1.86 C ATOM 1649 C TYR B 192 20.591 -2.871 1.511 1.00 1.87 C ATOM 1650 O TYR B 192 19.479 -2.353 1.576 1.00 2.21 O ATOM 1651 CB TYR B 192 22.814 -2.433 0.409 1.00 1.91 C ATOM 1652 CG TYR B 192 23.713 -3.543 0.918 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.676 -4.813 0.352 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.606 -3.316 1.959 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.498 -5.824 0.815 1.00 3.62 C ATOM 1656 CE2 TYR B 192 25.428 -4.321 2.425 1.00 3.41 C ATOM 1657 CZ TYR B 192 25.374 -5.569 1.849 1.00 3.77 C ATOM 1658 OH TYR B 192 26.199 -6.568 2.312 1.00 4.48 O ATOM 0 H TYR B 192 20.085 -1.268 -0.237 1.00 1.71 H new ATOM 0 HA TYR B 192 21.366 -3.862 -0.229 1.00 1.86 H new ATOM 0 HB2 TYR B 192 23.214 -2.059 -0.533 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.840 -1.605 1.117 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.995 -5.013 -0.462 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.657 -2.336 2.411 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.454 -6.807 0.370 1.00 3.62 H new ATOM 0 HE2 TYR B 192 26.111 -4.129 3.239 1.00 3.41 H new ATOM 0 HH TYR B 192 26.754 -6.222 3.042 1.00 4.48 H new ATOM 1668 N ASP B 193 21.174 -3.446 2.554 1.00 2.08 N ATOM 1669 CA ASP B 193 20.514 -3.508 3.854 1.00 2.57 C ATOM 1670 C ASP B 193 20.232 -2.108 4.391 1.00 2.39 C ATOM 1671 O ASP B 193 19.094 -1.789 4.738 1.00 2.59 O ATOM 1672 CB ASP B 193 21.359 -4.298 4.856 1.00 3.18 C ATOM 1673 CG ASP B 193 20.755 -4.315 6.251 1.00 3.84 C ATOM 1674 OD1 ASP B 193 19.532 -4.534 6.382 1.00 4.22 O ATOM 1675 OD2 ASP B 193 21.509 -4.123 7.226 1.00 4.14 O ATOM 0 H ASP B 193 22.099 -3.875 2.527 1.00 2.08 H new ATOM 0 HA ASP B 193 19.563 -4.023 3.720 1.00 2.57 H new ATOM 0 HB2 ASP B 193 21.472 -5.322 4.501 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.358 -3.865 4.903 1.00 3.18 H new ATOM 1680 N VAL B 194 21.260 -1.267 4.446 1.00 2.39 N ATOM 1681 CA VAL B 194 21.086 0.093 4.945 1.00 2.62 C ATOM 1682 C VAL B 194 22.210 1.030 4.480 1.00 2.80 C ATOM 1683 O VAL B 194 21.972 2.211 4.228 1.00 3.15 O ATOM 1684 CB VAL B 194 20.980 0.112 6.494 1.00 3.43 C ATOM 1685 CG1 VAL B 194 22.260 -0.391 7.145 1.00 3.97 C ATOM 1686 CG2 VAL B 194 20.630 1.505 6.996 1.00 3.78 C ATOM 0 H VAL B 194 22.210 -1.498 4.156 1.00 2.39 H new ATOM 0 HA VAL B 194 20.151 0.463 4.524 1.00 2.62 H new ATOM 0 HB VAL B 194 20.175 -0.566 6.778 1.00 3.43 H new ATOM 0 HG11 VAL B 194 22.152 -0.364 8.229 1.00 3.97 H new ATOM 0 HG12 VAL B 194 22.453 -1.415 6.825 1.00 3.97 H new ATOM 0 HG13 VAL B 194 23.094 0.245 6.848 1.00 3.97 H new ATOM 0 HG21 VAL B 194 20.561 1.493 8.084 1.00 3.78 H new ATOM 0 HG22 VAL B 194 21.405 2.208 6.689 1.00 3.78 H new ATOM 0 HG23 VAL B 194 19.673 1.814 6.575 1.00 3.78 H new ATOM 1696 N GLU B 195 23.424 0.503 4.334 1.00 2.75 N ATOM 1697 CA GLU B 195 24.557 1.327 3.928 1.00 3.12 C ATOM 1698 C GLU B 195 24.721 1.400 2.409 1.00 2.88 C ATOM 1699 O GLU B 195 23.869 0.932 1.652 1.00 2.39 O ATOM 1700 CB GLU B 195 25.848 0.829 4.580 1.00 3.40 C ATOM 1701 CG GLU B 195 26.466 1.850 5.522 1.00 4.16 C ATOM 1702 CD GLU B 195 26.486 3.239 4.921 1.00 4.65 C ATOM 1703 OE1 GLU B 195 27.237 3.454 3.943 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.730 4.114 5.396 1.00 5.02 O ATOM 0 H GLU B 195 23.646 -0.480 4.489 1.00 2.75 H new ATOM 0 HA GLU B 195 24.348 2.339 4.274 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.640 -0.088 5.131 1.00 3.40 H new ATOM 0 HB3 GLU B 195 26.568 0.577 3.802 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.904 1.868 6.456 1.00 4.16 H new ATOM 0 HG3 GLU B 195 27.484 1.547 5.768 1.00 4.16 H new ATOM 1711 N ASN B 196 25.828 2.010 1.987 1.00 3.43 N ATOM 1712 CA ASN B 196 26.140 2.209 0.570 1.00 3.64 C ATOM 1713 C ASN B 196 26.466 0.904 -0.152 1.00 3.41 C ATOM 1714 O ASN B 196 25.901 0.630 -1.215 1.00 3.56 O ATOM 1715 CB ASN B 196 27.325 3.175 0.433 1.00 4.47 C ATOM 1716 CG ASN B 196 27.104 4.244 -0.625 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.979 4.680 -0.870 1.00 5.26 O ATOM 1718 ND2 ASN B 196 28.186 4.692 -1.244 1.00 5.14 N ATOM 0 H ASN B 196 26.537 2.382 2.619 1.00 3.43 H new ATOM 0 HA ASN B 196 25.248 2.626 0.102 1.00 3.64 H new ATOM 0 HB2 ASN B 196 27.507 3.656 1.394 1.00 4.47 H new ATOM 0 HB3 ASN B 196 28.222 2.607 0.186 1.00 4.47 H new ATOM 0 HD21 ASN B 196 28.103 5.423 -1.951 1.00 5.14 H new ATOM 0 HD22 ASN B 196 29.102 4.306 -1.014 1.00 5.14 H new ATOM 1725 N GLU B 197 27.378 0.119 0.438 1.00 3.29 N ATOM 1726 CA GLU B 197 27.836 -1.158 -0.134 1.00 3.26 C ATOM 1727 C GLU B 197 28.791 -0.913 -1.306 1.00 3.82 C ATOM 1728 O GLU B 197 28.519 -0.099 -2.188 1.00 4.30 O ATOM 1729 CB GLU B 197 26.653 -2.034 -0.577 1.00 2.93 C ATOM 1730 CG GLU B 197 27.046 -3.269 -1.379 1.00 3.10 C ATOM 1731 CD GLU B 197 27.792 -4.302 -0.562 1.00 3.38 C ATOM 1732 OE1 GLU B 197 28.807 -3.948 0.071 1.00 3.60 O ATOM 1733 OE2 GLU B 197 27.381 -5.475 -0.567 1.00 3.83 O ATOM 0 H GLU B 197 27.821 0.351 1.327 1.00 3.29 H new ATOM 0 HA GLU B 197 28.373 -1.696 0.647 1.00 3.26 H new ATOM 0 HB2 GLU B 197 26.101 -2.351 0.308 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.973 -1.428 -1.176 1.00 2.93 H new ATOM 0 HG2 GLU B 197 26.147 -3.725 -1.795 1.00 3.10 H new ATOM 0 HG3 GLU B 197 27.667 -2.964 -2.221 1.00 3.10 H new ATOM 1740 N GLU B 198 29.916 -1.619 -1.304 1.00 3.91 N ATOM 1741 CA GLU B 198 30.912 -1.472 -2.362 1.00 4.52 C ATOM 1742 C GLU B 198 30.756 -2.550 -3.428 1.00 4.64 C ATOM 1743 O GLU B 198 31.169 -2.364 -4.573 1.00 5.16 O ATOM 1744 CB GLU B 198 32.324 -1.530 -1.778 1.00 4.90 C ATOM 1745 CG GLU B 198 32.815 -0.197 -1.246 1.00 5.36 C ATOM 1746 CD GLU B 198 32.934 0.850 -2.334 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.941 0.835 -3.074 1.00 6.25 O ATOM 1748 OE2 GLU B 198 32.026 1.696 -2.459 1.00 6.45 O ATOM 0 H GLU B 198 30.162 -2.298 -0.584 1.00 3.91 H new ATOM 0 HA GLU B 198 30.752 -0.500 -2.829 1.00 4.52 H new ATOM 0 HB2 GLU B 198 32.345 -2.264 -0.972 1.00 4.90 H new ATOM 0 HB3 GLU B 198 33.012 -1.881 -2.547 1.00 4.90 H new ATOM 0 HG2 GLU B 198 32.130 0.159 -0.477 1.00 5.36 H new ATOM 0 HG3 GLU B 198 33.786 -0.334 -0.770 1.00 5.36 H new ATOM 1755 N LYS B 199 30.168 -3.677 -3.047 1.00 4.32 N ATOM 1756 CA LYS B 199 29.969 -4.784 -3.976 1.00 4.64 C ATOM 1757 C LYS B 199 28.882 -4.459 -4.994 1.00 4.89 C ATOM 1758 O LYS B 199 29.121 -4.510 -6.200 1.00 5.53 O ATOM 1759 CB LYS B 199 29.611 -6.064 -3.215 1.00 4.38 C ATOM 1760 CG LYS B 199 30.804 -6.738 -2.559 1.00 4.54 C ATOM 1761 CD LYS B 199 30.377 -7.931 -1.718 1.00 4.53 C ATOM 1762 CE LYS B 199 30.078 -7.530 -0.282 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.319 -7.217 0.477 1.00 4.56 N ATOM 0 H LYS B 199 29.821 -3.849 -2.103 1.00 4.32 H new ATOM 0 HA LYS B 199 30.904 -4.941 -4.514 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.873 -5.826 -2.449 1.00 4.38 H new ATOM 0 HB3 LYS B 199 29.141 -6.766 -3.904 1.00 4.38 H new ATOM 0 HG2 LYS B 199 31.506 -7.065 -3.326 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.330 -6.019 -1.931 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.492 -8.389 -2.159 1.00 4.53 H new ATOM 0 HD3 LYS B 199 31.165 -8.684 -1.729 1.00 4.53 H new ATOM 0 HE2 LYS B 199 29.421 -6.661 -0.277 1.00 4.41 H new ATOM 0 HE3 LYS B 199 29.542 -8.338 0.216 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 31.108 -7.198 1.495 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 32.036 -7.946 0.286 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.682 -6.288 0.181 1.00 4.56 H new ATOM 1777 N VAL B 200 27.695 -4.119 -4.492 1.00 4.46 N ATOM 1778 CA VAL B 200 26.549 -3.780 -5.337 1.00 4.74 C ATOM 1779 C VAL B 200 26.265 -4.902 -6.336 1.00 5.32 C ATOM 1780 O VAL B 200 26.494 -4.763 -7.540 1.00 5.99 O ATOM 1781 CB VAL B 200 26.751 -2.442 -6.092 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.445 -1.976 -6.722 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.307 -1.370 -5.161 1.00 4.96 C ATOM 0 H VAL B 200 27.501 -4.071 -3.492 1.00 4.46 H new ATOM 0 HA VAL B 200 25.692 -3.660 -4.674 1.00 4.74 H new ATOM 0 HB VAL B 200 27.476 -2.611 -6.888 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.610 -1.035 -7.247 1.00 5.43 H new ATOM 0 HG12 VAL B 200 25.093 -2.728 -7.428 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.697 -1.831 -5.943 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.440 -0.441 -5.715 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.611 -1.206 -4.338 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.268 -1.696 -4.764 1.00 4.96 H new ATOM 1793 N LYS B 201 25.779 -6.023 -5.819 1.00 5.18 N ATOM 1794 CA LYS B 201 25.474 -7.179 -6.653 1.00 5.84 C ATOM 1795 C LYS B 201 24.353 -8.011 -6.040 1.00 5.78 C ATOM 1796 O LYS B 201 24.152 -9.169 -6.409 1.00 6.37 O ATOM 1797 CB LYS B 201 26.725 -8.048 -6.834 1.00 6.17 C ATOM 1798 CG LYS B 201 27.292 -8.583 -5.527 1.00 5.81 C ATOM 1799 CD LYS B 201 28.560 -9.393 -5.749 1.00 6.12 C ATOM 1800 CE LYS B 201 28.273 -10.715 -6.446 1.00 6.82 C ATOM 1801 NZ LYS B 201 27.409 -11.609 -5.628 1.00 7.02 N ATOM 0 H LYS B 201 25.587 -6.157 -4.826 1.00 5.18 H new ATOM 0 HA LYS B 201 25.145 -6.816 -7.627 1.00 5.84 H new ATOM 0 HB2 LYS B 201 26.482 -8.888 -7.485 1.00 6.17 H new ATOM 0 HB3 LYS B 201 27.493 -7.463 -7.341 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.505 -7.751 -4.856 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.545 -9.206 -5.035 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.262 -8.812 -6.347 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.041 -9.585 -4.790 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.788 -10.521 -7.403 1.00 6.82 H new ATOM 0 HE3 LYS B 201 29.214 -11.221 -6.662 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 27.473 -12.581 -5.992 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 27.727 -11.588 -4.638 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 26.423 -11.283 -5.682 1.00 7.02 H new ATOM 1815 N LEU B 202 23.622 -7.421 -5.106 1.00 5.18 N ATOM 1816 CA LEU B 202 22.534 -8.118 -4.448 1.00 5.23 C ATOM 1817 C LEU B 202 21.233 -7.344 -4.590 1.00 4.95 C ATOM 1818 O LEU B 202 21.040 -6.310 -3.952 1.00 4.37 O ATOM 1819 CB LEU B 202 22.860 -8.338 -2.968 1.00 4.91 C ATOM 1820 CG LEU B 202 23.955 -9.370 -2.690 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.406 -9.294 -1.241 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.463 -10.773 -3.020 1.00 6.12 C ATOM 0 H LEU B 202 23.765 -6.462 -4.789 1.00 5.18 H new ATOM 0 HA LEU B 202 22.411 -9.088 -4.929 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.162 -7.385 -2.533 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.950 -8.649 -2.454 1.00 4.91 H new ATOM 0 HG LEU B 202 24.809 -9.144 -3.329 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.185 -10.035 -1.063 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.799 -8.298 -1.034 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.558 -9.493 -0.585 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.255 -11.494 -2.816 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.593 -11.007 -2.407 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.189 -10.824 -4.074 1.00 6.12 H new ATOM 1834 N GLY B 203 20.348 -7.847 -5.441 1.00 5.44 N ATOM 1835 CA GLY B 203 19.066 -7.208 -5.656 1.00 5.30 C ATOM 1836 C GLY B 203 18.053 -7.643 -4.622 1.00 5.32 C ATOM 1837 O GLY B 203 16.956 -7.093 -4.540 1.00 5.33 O ATOM 0 H GLY B 203 20.498 -8.693 -5.990 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.186 -6.125 -5.617 1.00 5.30 H new ATOM 0 HA3 GLY B 203 18.699 -7.452 -6.653 1.00 5.30 H new ATOM 1841 N MET B 204 18.431 -8.640 -3.829 1.00 5.45 N ATOM 1842 CA MET B 204 17.567 -9.166 -2.776 1.00 5.69 C ATOM 1843 C MET B 204 17.150 -8.067 -1.802 1.00 5.11 C ATOM 1844 O MET B 204 16.023 -8.055 -1.319 1.00 5.36 O ATOM 1845 CB MET B 204 18.273 -10.292 -2.013 1.00 6.02 C ATOM 1846 CG MET B 204 19.669 -9.924 -1.531 1.00 5.50 C ATOM 1847 SD MET B 204 19.954 -10.370 0.194 1.00 6.01 S ATOM 1848 CE MET B 204 19.967 -12.159 0.087 1.00 6.67 C ATOM 0 H MET B 204 19.337 -9.104 -3.896 1.00 5.45 H new ATOM 0 HA MET B 204 16.671 -9.563 -3.253 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.664 -10.574 -1.154 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.340 -11.169 -2.657 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.408 -10.424 -2.157 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.820 -8.851 -1.654 1.00 5.50 H new ATOM 0 HE1 MET B 204 20.134 -12.582 1.078 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.009 -12.507 -0.300 1.00 6.67 H new ATOM 0 HE3 MET B 204 20.766 -12.478 -0.582 1.00 6.67 H new ATOM 1858 N THR B 205 18.065 -7.146 -1.527 1.00 4.40 N ATOM 1859 CA THR B 205 17.805 -6.042 -0.612 1.00 3.86 C ATOM 1860 C THR B 205 17.787 -4.714 -1.363 1.00 3.22 C ATOM 1861 O THR B 205 18.229 -3.689 -0.851 1.00 2.61 O ATOM 1862 CB THR B 205 18.879 -5.993 0.488 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.919 -6.938 0.186 1.00 3.95 O ATOM 1864 CG2 THR B 205 18.280 -6.309 1.852 1.00 4.16 C ATOM 0 H THR B 205 19.002 -7.143 -1.929 1.00 4.40 H new ATOM 0 HA THR B 205 16.829 -6.205 -0.155 1.00 3.86 H new ATOM 0 HB THR B 205 19.293 -4.985 0.521 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.584 -7.848 0.325 1.00 3.95 H new ATOM 0 HG21 THR B 205 19.061 -6.267 2.611 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.506 -5.579 2.088 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.843 -7.308 1.835 1.00 4.16 H new ATOM 1872 N ASN B 206 17.256 -4.739 -2.580 1.00 3.55 N ATOM 1873 CA ASN B 206 17.196 -3.544 -3.420 1.00 3.31 C ATOM 1874 C ASN B 206 16.310 -2.457 -2.813 1.00 3.04 C ATOM 1875 O ASN B 206 16.638 -1.274 -2.884 1.00 2.62 O ATOM 1876 CB ASN B 206 16.694 -3.896 -4.817 1.00 4.07 C ATOM 1877 CG ASN B 206 16.813 -2.731 -5.780 1.00 4.18 C ATOM 1878 OD1 ASN B 206 15.844 -2.011 -6.028 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.005 -2.524 -6.315 1.00 4.21 N ATOM 0 H ASN B 206 16.859 -5.575 -3.010 1.00 3.55 H new ATOM 0 HA ASN B 206 18.210 -3.150 -3.486 1.00 3.31 H new ATOM 0 HB2 ASN B 206 17.262 -4.743 -5.202 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.652 -4.211 -4.758 1.00 4.07 H new ATOM 0 HD21 ASN B 206 18.147 -1.745 -6.958 1.00 4.21 H new ATOM 0 HD22 ASN B 206 18.782 -3.143 -6.084 1.00 4.21 H new ATOM 1886 N SER B 207 15.175 -2.855 -2.252 1.00 3.47 N ATOM 1887 CA SER B 207 14.253 -1.909 -1.631 1.00 3.42 C ATOM 1888 C SER B 207 13.434 -2.599 -0.544 1.00 3.82 C ATOM 1889 O SER B 207 12.404 -2.087 -0.098 1.00 4.01 O ATOM 1890 CB SER B 207 13.333 -1.286 -2.685 1.00 3.85 C ATOM 1891 OG SER B 207 14.082 -0.520 -3.614 1.00 3.99 O ATOM 0 H SER B 207 14.870 -3.827 -2.214 1.00 3.47 H new ATOM 0 HA SER B 207 14.835 -1.111 -1.169 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.788 -2.071 -3.209 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.591 -0.653 -2.199 1.00 3.85 H new ATOM 0 HG SER B 207 15.034 -0.569 -3.386 1.00 3.99 H new ATOM 1897 N HIS B 208 13.919 -3.755 -0.109 1.00 4.12 N ATOM 1898 CA HIS B 208 13.260 -4.538 0.926 1.00 4.71 C ATOM 1899 C HIS B 208 14.268 -5.489 1.549 1.00 4.82 C ATOM 1900 O HIS B 208 14.312 -5.586 2.786 1.00 5.20 O ATOM 1901 CB HIS B 208 12.077 -5.332 0.354 1.00 5.42 C ATOM 1902 CG HIS B 208 11.398 -6.218 1.360 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.403 -5.780 2.203 1.00 6.30 N ATOM 1904 CD2 HIS B 208 11.580 -7.529 1.656 1.00 6.75 C ATOM 1905 CE1 HIS B 208 10.003 -6.776 2.968 1.00 6.95 C ATOM 1906 NE2 HIS B 208 10.700 -7.850 2.659 1.00 7.22 N ATOM 1907 OXT HIS B 208 15.016 -6.127 0.785 1.00 4.71 O ATOM 0 H HIS B 208 14.778 -4.175 -0.463 1.00 4.12 H new ATOM 0 HA HIS B 208 12.871 -3.857 1.684 1.00 4.71 H new ATOM 0 HB2 HIS B 208 11.346 -4.634 -0.053 1.00 5.42 H new ATOM 0 HB3 HIS B 208 12.430 -5.944 -0.476 1.00 5.42 H new ATOM 0 HD1 HIS B 208 10.032 -4.830 2.232 1.00 6.30 H new ATOM 0 HD2 HIS B 208 12.288 -8.198 1.188 1.00 6.75 H new ATOM 0 HE1 HIS B 208 9.232 -6.721 3.722 1.00 6.95 H new TER 1916 HIS B 208