USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 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 126 GLN : amide:sc= -3.64! C(o=-3.7!,f=-8.8!) USER MOD Set 1.2: B 155 GLN : amide:sc= -0.0334 X(o=-3.7,f=-3.6) USER MOD Set 2.1: B 139 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 140 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.16) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 10 GLN : amide:sc= -0.591 K(o=-0.59,f=-1.8!) USER MOD Set 4.1: A 3 ASN : amide:sc= -1.18 K(o=-3,f=-7.1!) USER MOD Set 4.2: A 9 GLN :FLIP amide:sc= -1.79 F(o=-7.1,f=-3) USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0459 (180deg=-0.46) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= -0.0437 (180deg=-0.321) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.0704 F(o=-2.2!,f=-0.07) USER MOD Single : A 11 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.991 USER MOD Single : A 18 HIS : no HD1:sc= -0.19 X(o=-0.19,f=0.029) USER MOD Single : A 21 ASN : amide:sc= -0.593 K(o=-0.59,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -1.67 K(o=-1.7,f=-10!) USER MOD Single : A 26 GLN : amide:sc= -2.54 K(o=-2.5,f=-6.7!) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.68! F(o=-3.5,f=-2.7!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.89! C(o=-2.8!,f=-1.9!) USER MOD Single : A 33 SER OG : rot 82:sc= 0.00936 USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.381) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.17) USER MOD Single : A 41 SER OG : rot -93:sc= 0.509 USER MOD Single : A 43 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 132:sc= -0.0529 (180deg=-0.325) USER MOD Single : A 52 ASN : amide:sc= -2.15 K(o=-2.2,f=-12!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.0504 F(o=-1.2,f=-0.05) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.14) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 109 THR OG1 : rot 147:sc= -0.858 USER MOD Single : B 110 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.1!) USER MOD Single : B 113 SER OG : rot 69:sc= 0.985 USER MOD Single : B 118 THR OG1 : rot -10:sc= 0.821 USER MOD Single : B 121 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.4!) USER MOD Single : B 123 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.8) USER MOD Single : B 132 SER OG : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 154:sc= -0.245 USER MOD Single : B 141 SER OG : rot 180:sc= -0.761 USER MOD Single : B 143 ASN :FLIP amide:sc= -0.0719 F(o=-2!,f=-0.072) USER MOD Single : B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 LYS NZ :NH3+ -151:sc= -0.0243 (180deg=-0.721) USER MOD Single : B 152 ASN : amide:sc= -6.02! C(o=-6!,f=-15!) USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.600 -14.517 -4.352 1.00 6.84 N ATOM 2 CA VAL A 1 -10.493 -13.775 -3.696 1.00 6.39 C ATOM 3 C VAL A 1 -10.969 -13.110 -2.409 1.00 5.45 C ATOM 4 O VAL A 1 -11.816 -12.216 -2.435 1.00 5.57 O ATOM 5 CB VAL A 1 -9.911 -12.697 -4.632 1.00 7.06 C ATOM 6 CG1 VAL A 1 -8.730 -11.997 -3.978 1.00 7.37 C ATOM 7 CG2 VAL A 1 -9.503 -13.311 -5.962 1.00 7.36 C ATOM 0 H1 VAL A 1 -11.207 -15.184 -5.046 1.00 6.84 H new ATOM 0 H2 VAL A 1 -12.139 -15.042 -3.634 1.00 6.84 H new ATOM 0 H3 VAL A 1 -12.230 -13.845 -4.835 1.00 6.84 H new ATOM 0 HA VAL A 1 -9.715 -14.502 -3.462 1.00 6.39 H new ATOM 0 HB VAL A 1 -10.684 -11.952 -4.820 1.00 7.06 H new ATOM 0 HG11 VAL A 1 -8.335 -11.240 -4.656 1.00 7.37 H new ATOM 0 HG12 VAL A 1 -9.056 -11.521 -3.053 1.00 7.37 H new ATOM 0 HG13 VAL A 1 -7.952 -12.727 -3.756 1.00 7.37 H new ATOM 0 HG21 VAL A 1 -9.094 -12.536 -6.610 1.00 7.36 H new ATOM 0 HG22 VAL A 1 -8.747 -14.078 -5.792 1.00 7.36 H new ATOM 0 HG23 VAL A 1 -10.375 -13.760 -6.438 1.00 7.36 H new ATOM 19 N ASP A 2 -10.420 -13.555 -1.283 1.00 4.87 N ATOM 20 CA ASP A 2 -10.787 -13.007 0.017 1.00 4.23 C ATOM 21 C ASP A 2 -9.571 -12.922 0.933 1.00 3.33 C ATOM 22 O ASP A 2 -8.675 -13.764 0.872 1.00 3.72 O ATOM 23 CB ASP A 2 -11.871 -13.867 0.667 1.00 5.03 C ATOM 24 CG ASP A 2 -12.278 -13.349 2.033 1.00 5.73 C ATOM 25 OD1 ASP A 2 -11.657 -13.762 3.034 1.00 6.07 O ATOM 26 OD2 ASP A 2 -13.216 -12.528 2.100 1.00 6.23 O ATOM 0 H ASP A 2 -9.719 -14.295 -1.245 1.00 4.87 H new ATOM 0 HA ASP A 2 -11.175 -12.000 -0.136 1.00 4.23 H new ATOM 0 HB2 ASP A 2 -12.746 -13.897 0.017 1.00 5.03 H new ATOM 0 HB3 ASP A 2 -11.510 -14.891 0.762 1.00 5.03 H new ATOM 31 N ASN A 3 -9.549 -11.900 1.782 1.00 2.66 N ATOM 32 CA ASN A 3 -8.456 -11.697 2.711 1.00 2.31 C ATOM 33 C ASN A 3 -8.867 -10.702 3.786 1.00 1.47 C ATOM 34 O ASN A 3 -8.889 -9.493 3.558 1.00 2.12 O ATOM 35 CB ASN A 3 -7.209 -11.201 1.972 1.00 2.82 C ATOM 36 CG ASN A 3 -7.466 -9.940 1.169 1.00 3.16 C ATOM 37 OD1 ASN A 3 -8.581 -9.700 0.705 1.00 3.78 O ATOM 38 ND2 ASN A 3 -6.431 -9.127 0.998 1.00 3.18 N ATOM 0 H ASN A 3 -10.285 -11.197 1.842 1.00 2.66 H new ATOM 0 HA ASN A 3 -8.217 -12.649 3.185 1.00 2.31 H new ATOM 0 HB2 ASN A 3 -6.415 -11.011 2.695 1.00 2.82 H new ATOM 0 HB3 ASN A 3 -6.852 -11.985 1.305 1.00 2.82 H new ATOM 0 HD21 ASN A 3 -6.542 -8.265 0.465 1.00 3.18 H new ATOM 0 HD22 ASN A 3 -5.524 -9.364 1.400 1.00 3.18 H new ATOM 45 N LYS A 4 -9.201 -11.226 4.960 1.00 0.80 N ATOM 46 CA LYS A 4 -9.618 -10.399 6.086 1.00 1.31 C ATOM 47 C LYS A 4 -8.525 -9.414 6.477 1.00 1.28 C ATOM 48 O LYS A 4 -8.707 -8.591 7.376 1.00 2.13 O ATOM 49 CB LYS A 4 -9.949 -11.284 7.280 1.00 2.13 C ATOM 50 CG LYS A 4 -11.058 -12.288 7.005 1.00 2.28 C ATOM 51 CD LYS A 4 -11.367 -13.132 8.233 1.00 3.10 C ATOM 52 CE LYS A 4 -11.942 -12.291 9.363 1.00 3.72 C ATOM 53 NZ LYS A 4 -13.176 -11.567 8.947 1.00 4.09 N ATOM 0 H LYS A 4 -9.191 -12.227 5.157 1.00 0.80 H new ATOM 0 HA LYS A 4 -10.501 -9.836 5.784 1.00 1.31 H new ATOM 0 HB2 LYS A 4 -9.051 -11.822 7.583 1.00 2.13 H new ATOM 0 HB3 LYS A 4 -10.241 -10.653 8.119 1.00 2.13 H new ATOM 0 HG2 LYS A 4 -11.958 -11.760 6.690 1.00 2.28 H new ATOM 0 HG3 LYS A 4 -10.765 -12.938 6.180 1.00 2.28 H new ATOM 0 HD2 LYS A 4 -12.075 -13.917 7.967 1.00 3.10 H new ATOM 0 HD3 LYS A 4 -10.457 -13.626 8.574 1.00 3.10 H new ATOM 0 HE2 LYS A 4 -12.168 -12.933 10.214 1.00 3.72 H new ATOM 0 HE3 LYS A 4 -11.194 -11.571 9.696 1.00 3.72 H new ATOM 0 HZ1 LYS A 4 -13.683 -11.231 9.791 1.00 4.09 H new ATOM 0 HZ2 LYS A 4 -12.918 -10.754 8.352 1.00 4.09 H new ATOM 0 HZ3 LYS A 4 -13.790 -12.210 8.407 1.00 4.09 H new ATOM 67 N PHE A 5 -7.389 -9.520 5.798 1.00 0.53 N ATOM 68 CA PHE A 5 -6.239 -8.656 6.056 1.00 0.42 C ATOM 69 C PHE A 5 -5.647 -8.959 7.429 1.00 0.40 C ATOM 70 O PHE A 5 -5.939 -8.276 8.411 1.00 0.49 O ATOM 71 CB PHE A 5 -6.633 -7.178 5.962 1.00 0.34 C ATOM 72 CG PHE A 5 -7.273 -6.806 4.654 1.00 0.33 C ATOM 73 CD1 PHE A 5 -6.517 -6.719 3.497 1.00 0.37 C ATOM 74 CD2 PHE A 5 -8.633 -6.543 4.583 1.00 0.35 C ATOM 75 CE1 PHE A 5 -7.104 -6.377 2.293 1.00 0.40 C ATOM 76 CE2 PHE A 5 -9.225 -6.201 3.383 1.00 0.39 C ATOM 77 CZ PHE A 5 -8.459 -6.118 2.236 1.00 0.40 C ATOM 0 H PHE A 5 -7.237 -10.203 5.056 1.00 0.53 H new ATOM 0 HA PHE A 5 -5.485 -8.857 5.295 1.00 0.42 H new ATOM 0 HB2 PHE A 5 -7.322 -6.942 6.773 1.00 0.34 H new ATOM 0 HB3 PHE A 5 -5.744 -6.564 6.109 1.00 0.34 H new ATOM 0 HD1 PHE A 5 -5.457 -6.921 3.536 1.00 0.37 H new ATOM 0 HD2 PHE A 5 -9.236 -6.606 5.477 1.00 0.35 H new ATOM 0 HE1 PHE A 5 -6.503 -6.312 1.398 1.00 0.40 H new ATOM 0 HE2 PHE A 5 -10.285 -5.999 3.341 1.00 0.39 H new ATOM 0 HZ PHE A 5 -8.919 -5.851 1.296 1.00 0.40 H new ATOM 87 N ASN A 6 -4.814 -9.993 7.485 1.00 0.35 N ATOM 88 CA ASN A 6 -4.185 -10.413 8.729 1.00 0.37 C ATOM 89 C ASN A 6 -3.144 -9.404 9.208 1.00 0.37 C ATOM 90 O ASN A 6 -2.996 -8.323 8.637 1.00 0.36 O ATOM 91 CB ASN A 6 -3.532 -11.785 8.552 1.00 0.36 C ATOM 92 CG ASN A 6 -4.545 -12.914 8.514 1.00 0.97 C ATOM 93 OD1 ASN A 6 -5.724 -12.640 7.967 1.00 1.73 O flip ATOM 94 ND2 ASN A 6 -4.268 -14.025 8.967 1.00 1.69 N flip ATOM 0 H ASN A 6 -4.558 -10.559 6.676 1.00 0.35 H new ATOM 0 HA ASN A 6 -4.966 -10.474 9.487 1.00 0.37 H new ATOM 0 HB2 ASN A 6 -2.952 -11.791 7.629 1.00 0.36 H new ATOM 0 HB3 ASN A 6 -2.832 -11.958 9.369 1.00 0.36 H new ATOM 0 HD21 ASN A 6 -3.350 -14.193 9.379 1.00 1.69 H new ATOM 0 HD22 ASN A 6 -4.956 -14.777 8.930 1.00 1.69 H new ATOM 101 N LYS A 7 -2.428 -9.775 10.266 1.00 0.40 N ATOM 102 CA LYS A 7 -1.393 -8.922 10.841 1.00 0.43 C ATOM 103 C LYS A 7 -0.207 -8.798 9.895 1.00 0.40 C ATOM 104 O LYS A 7 0.271 -7.696 9.624 1.00 0.38 O ATOM 105 CB LYS A 7 -0.929 -9.497 12.181 1.00 0.52 C ATOM 106 CG LYS A 7 0.177 -8.689 12.836 1.00 0.58 C ATOM 107 CD LYS A 7 -0.338 -7.348 13.334 1.00 0.60 C ATOM 108 CE LYS A 7 0.803 -6.405 13.665 1.00 1.39 C ATOM 109 NZ LYS A 7 0.318 -5.140 14.284 1.00 1.90 N ATOM 0 H LYS A 7 -2.547 -10.667 10.745 1.00 0.40 H new ATOM 0 HA LYS A 7 -1.814 -7.929 10.999 1.00 0.43 H new ATOM 0 HB2 LYS A 7 -1.781 -9.549 12.859 1.00 0.52 H new ATOM 0 HB3 LYS A 7 -0.580 -10.518 12.028 1.00 0.52 H new ATOM 0 HG2 LYS A 7 0.596 -9.252 13.670 1.00 0.58 H new ATOM 0 HG3 LYS A 7 0.984 -8.528 12.122 1.00 0.58 H new ATOM 0 HD2 LYS A 7 -0.976 -6.897 12.574 1.00 0.60 H new ATOM 0 HD3 LYS A 7 -0.955 -7.500 14.220 1.00 0.60 H new ATOM 0 HE2 LYS A 7 1.496 -6.899 14.345 1.00 1.39 H new ATOM 0 HE3 LYS A 7 1.358 -6.174 12.756 1.00 1.39 H new ATOM 0 HZ1 LYS A 7 1.129 -4.524 14.495 1.00 1.90 H new ATOM 0 HZ2 LYS A 7 -0.324 -4.655 13.625 1.00 1.90 H new ATOM 0 HZ3 LYS A 7 -0.190 -5.357 15.165 1.00 1.90 H new ATOM 123 N GLU A 8 0.266 -9.935 9.398 1.00 0.43 N ATOM 124 CA GLU A 8 1.399 -9.954 8.484 1.00 0.43 C ATOM 125 C GLU A 8 1.098 -9.142 7.229 1.00 0.37 C ATOM 126 O GLU A 8 2.010 -8.629 6.579 1.00 0.39 O ATOM 127 CB GLU A 8 1.760 -11.392 8.114 1.00 0.47 C ATOM 128 CG GLU A 8 2.044 -12.273 9.320 1.00 0.52 C ATOM 129 CD GLU A 8 0.786 -12.882 9.909 1.00 1.03 C ATOM 130 OE1 GLU A 8 0.284 -13.874 9.340 1.00 0.95 O ATOM 131 OE2 GLU A 8 0.304 -12.368 10.941 1.00 1.80 O ATOM 0 H GLU A 8 -0.118 -10.855 9.613 1.00 0.43 H new ATOM 0 HA GLU A 8 2.251 -9.498 8.988 1.00 0.43 H new ATOM 0 HB2 GLU A 8 0.942 -11.828 7.540 1.00 0.47 H new ATOM 0 HB3 GLU A 8 2.636 -11.383 7.465 1.00 0.47 H new ATOM 0 HG2 GLU A 8 2.727 -13.071 9.029 1.00 0.52 H new ATOM 0 HG3 GLU A 8 2.550 -11.683 10.085 1.00 0.52 H new ATOM 138 N GLN A 9 -0.185 -9.028 6.892 1.00 0.34 N ATOM 139 CA GLN A 9 -0.599 -8.262 5.723 1.00 0.33 C ATOM 140 C GLN A 9 -0.496 -6.771 6.012 1.00 0.30 C ATOM 141 O GLN A 9 -0.319 -5.957 5.106 1.00 0.32 O ATOM 142 CB GLN A 9 -2.029 -8.622 5.318 1.00 0.36 C ATOM 143 CG GLN A 9 -2.108 -9.735 4.285 1.00 0.38 C ATOM 144 CD GLN A 9 -3.535 -10.139 3.972 1.00 0.73 C ATOM 145 OE1 GLN A 9 -4.131 -9.490 2.978 1.00 1.44 O flip ATOM 146 NE2 GLN A 9 -4.098 -11.024 4.617 1.00 0.50 N flip ATOM 0 H GLN A 9 -0.952 -9.455 7.411 1.00 0.34 H new ATOM 0 HA GLN A 9 0.065 -8.511 4.895 1.00 0.33 H new ATOM 0 HB2 GLN A 9 -2.584 -8.922 6.206 1.00 0.36 H new ATOM 0 HB3 GLN A 9 -2.520 -7.733 4.921 1.00 0.36 H new ATOM 0 HG2 GLN A 9 -1.617 -9.410 3.368 1.00 0.38 H new ATOM 0 HG3 GLN A 9 -1.560 -10.604 4.650 1.00 0.38 H new ATOM 0 HE21 GLN A 9 -3.603 -11.497 5.373 1.00 0.50 H new ATOM 0 HE22 GLN A 9 -5.059 -11.284 4.395 1.00 0.50 H new ATOM 155 N GLN A 10 -0.613 -6.426 7.290 1.00 0.27 N ATOM 156 CA GLN A 10 -0.520 -5.041 7.728 1.00 0.25 C ATOM 157 C GLN A 10 0.939 -4.608 7.789 1.00 0.23 C ATOM 158 O GLN A 10 1.320 -3.586 7.219 1.00 0.26 O ATOM 159 CB GLN A 10 -1.171 -4.882 9.102 1.00 0.26 C ATOM 160 CG GLN A 10 -1.711 -3.487 9.367 1.00 0.26 C ATOM 161 CD GLN A 10 -1.488 -3.037 10.798 1.00 0.64 C ATOM 162 OE1 GLN A 10 -0.516 -3.432 11.441 1.00 1.18 O ATOM 163 NE2 GLN A 10 -2.391 -2.206 11.305 1.00 0.89 N ATOM 0 H GLN A 10 -0.774 -7.093 8.044 1.00 0.27 H new ATOM 0 HA GLN A 10 -1.045 -4.409 7.012 1.00 0.25 H new ATOM 0 HB2 GLN A 10 -1.986 -5.600 9.193 1.00 0.26 H new ATOM 0 HB3 GLN A 10 -0.440 -5.131 9.871 1.00 0.26 H new ATOM 0 HG2 GLN A 10 -1.231 -2.781 8.689 1.00 0.26 H new ATOM 0 HG3 GLN A 10 -2.778 -3.466 9.146 1.00 0.26 H new ATOM 0 HE21 GLN A 10 -3.182 -1.904 10.736 1.00 0.89 H new ATOM 0 HE22 GLN A 10 -2.294 -1.870 12.263 1.00 0.89 H new ATOM 172 N ASN A 11 1.748 -5.402 8.482 1.00 0.24 N ATOM 173 CA ASN A 11 3.171 -5.119 8.623 1.00 0.23 C ATOM 174 C ASN A 11 3.850 -5.027 7.260 1.00 0.21 C ATOM 175 O ASN A 11 4.568 -4.070 6.983 1.00 0.22 O ATOM 176 CB ASN A 11 3.848 -6.201 9.468 1.00 0.27 C ATOM 177 CG ASN A 11 3.273 -6.302 10.854 1.00 0.72 C ATOM 178 OD1 ASN A 11 2.900 -5.303 11.467 1.00 1.08 O ATOM 179 ND2 ASN A 11 3.194 -7.525 11.349 1.00 0.82 N ATOM 0 H ASN A 11 1.440 -6.251 8.957 1.00 0.24 H new ATOM 0 HA ASN A 11 3.273 -4.157 9.125 1.00 0.23 H new ATOM 0 HB2 ASN A 11 3.747 -7.164 8.967 1.00 0.27 H new ATOM 0 HB3 ASN A 11 4.915 -5.988 9.537 1.00 0.27 H new ATOM 0 HD21 ASN A 11 2.809 -7.674 12.282 1.00 0.82 H new ATOM 0 HD22 ASN A 11 3.518 -8.320 10.798 1.00 0.82 H new ATOM 186 N ALA A 12 3.620 -6.029 6.415 1.00 0.19 N ATOM 187 CA ALA A 12 4.213 -6.054 5.082 1.00 0.18 C ATOM 188 C ALA A 12 3.894 -4.776 4.317 1.00 0.15 C ATOM 189 O ALA A 12 4.782 -4.142 3.750 1.00 0.20 O ATOM 190 CB ALA A 12 3.726 -7.269 4.305 1.00 0.22 C ATOM 0 H ALA A 12 3.029 -6.832 6.630 1.00 0.19 H new ATOM 0 HA ALA A 12 5.295 -6.121 5.197 1.00 0.18 H new ATOM 0 HB1 ALA A 12 4.178 -7.272 3.313 1.00 0.22 H new ATOM 0 HB2 ALA A 12 4.010 -8.178 4.836 1.00 0.22 H new ATOM 0 HB3 ALA A 12 2.641 -7.229 4.209 1.00 0.22 H new ATOM 196 N PHE A 13 2.619 -4.409 4.313 1.00 0.13 N ATOM 197 CA PHE A 13 2.157 -3.208 3.627 1.00 0.11 C ATOM 198 C PHE A 13 3.020 -1.999 3.987 1.00 0.11 C ATOM 199 O PHE A 13 3.537 -1.311 3.107 1.00 0.15 O ATOM 200 CB PHE A 13 0.693 -2.944 3.993 1.00 0.14 C ATOM 201 CG PHE A 13 0.152 -1.644 3.473 1.00 0.12 C ATOM 202 CD1 PHE A 13 -0.441 -1.573 2.221 1.00 0.12 C ATOM 203 CD2 PHE A 13 0.226 -0.492 4.241 1.00 0.13 C ATOM 204 CE1 PHE A 13 -0.948 -0.380 1.747 1.00 0.11 C ATOM 205 CE2 PHE A 13 -0.277 0.704 3.770 1.00 0.13 C ATOM 206 CZ PHE A 13 -0.865 0.760 2.523 1.00 0.11 C ATOM 0 H PHE A 13 1.879 -4.932 4.782 1.00 0.13 H new ATOM 0 HA PHE A 13 2.241 -3.367 2.552 1.00 0.11 H new ATOM 0 HB2 PHE A 13 0.081 -3.759 3.607 1.00 0.14 H new ATOM 0 HB3 PHE A 13 0.594 -2.957 5.078 1.00 0.14 H new ATOM 0 HD1 PHE A 13 -0.507 -2.461 1.610 1.00 0.12 H new ATOM 0 HD2 PHE A 13 0.682 -0.531 5.219 1.00 0.13 H new ATOM 0 HE1 PHE A 13 -1.409 -0.338 0.771 1.00 0.11 H new ATOM 0 HE2 PHE A 13 -0.210 1.595 4.377 1.00 0.13 H new ATOM 0 HZ PHE A 13 -1.260 1.695 2.154 1.00 0.11 H new ATOM 216 N TYR A 14 3.178 -1.754 5.283 1.00 0.11 N ATOM 217 CA TYR A 14 3.967 -0.621 5.762 1.00 0.13 C ATOM 218 C TYR A 14 5.446 -0.770 5.415 1.00 0.13 C ATOM 219 O TYR A 14 6.053 0.144 4.861 1.00 0.17 O ATOM 220 CB TYR A 14 3.800 -0.465 7.274 1.00 0.16 C ATOM 221 CG TYR A 14 2.389 -0.128 7.694 1.00 0.19 C ATOM 222 CD1 TYR A 14 1.745 0.998 7.198 1.00 0.24 C ATOM 223 CD2 TYR A 14 1.699 -0.936 8.588 1.00 0.26 C ATOM 224 CE1 TYR A 14 0.455 1.309 7.580 1.00 0.31 C ATOM 225 CE2 TYR A 14 0.409 -0.633 8.975 1.00 0.32 C ATOM 226 CZ TYR A 14 -0.208 0.495 8.467 1.00 0.33 C ATOM 227 OH TYR A 14 -1.495 0.795 8.847 1.00 0.42 O ATOM 0 H TYR A 14 2.770 -2.325 6.023 1.00 0.11 H new ATOM 0 HA TYR A 14 3.596 0.272 5.259 1.00 0.13 H new ATOM 0 HB2 TYR A 14 4.104 -1.391 7.762 1.00 0.16 H new ATOM 0 HB3 TYR A 14 4.472 0.317 7.627 1.00 0.16 H new ATOM 0 HD1 TYR A 14 2.262 1.641 6.502 1.00 0.24 H new ATOM 0 HD2 TYR A 14 2.180 -1.817 8.987 1.00 0.26 H new ATOM 0 HE1 TYR A 14 -0.031 2.188 7.183 1.00 0.31 H new ATOM 0 HE2 TYR A 14 -0.115 -1.273 9.670 1.00 0.32 H new ATOM 0 HH TYR A 14 -1.816 0.117 9.478 1.00 0.42 H new ATOM 237 N GLU A 15 6.020 -1.923 5.746 1.00 0.11 N ATOM 238 CA GLU A 15 7.432 -2.185 5.475 1.00 0.12 C ATOM 239 C GLU A 15 7.770 -1.925 4.011 1.00 0.12 C ATOM 240 O GLU A 15 8.912 -1.613 3.674 1.00 0.19 O ATOM 241 CB GLU A 15 7.784 -3.626 5.848 1.00 0.13 C ATOM 242 CG GLU A 15 7.649 -3.921 7.332 1.00 0.19 C ATOM 243 CD GLU A 15 7.963 -5.365 7.669 1.00 1.16 C ATOM 244 OE1 GLU A 15 9.146 -5.672 7.922 1.00 1.08 O ATOM 245 OE2 GLU A 15 7.024 -6.189 7.680 1.00 2.16 O ATOM 0 H GLU A 15 5.530 -2.692 6.203 1.00 0.11 H new ATOM 0 HA GLU A 15 8.024 -1.503 6.086 1.00 0.12 H new ATOM 0 HB2 GLU A 15 7.138 -4.305 5.291 1.00 0.13 H new ATOM 0 HB3 GLU A 15 8.808 -3.833 5.537 1.00 0.13 H new ATOM 0 HG2 GLU A 15 8.318 -3.267 7.891 1.00 0.19 H new ATOM 0 HG3 GLU A 15 6.634 -3.689 7.654 1.00 0.19 H new ATOM 252 N ILE A 16 6.769 -2.054 3.147 1.00 0.10 N ATOM 253 CA ILE A 16 6.955 -1.826 1.719 1.00 0.09 C ATOM 254 C ILE A 16 6.968 -0.331 1.410 1.00 0.12 C ATOM 255 O ILE A 16 7.689 0.126 0.522 1.00 0.16 O ATOM 256 CB ILE A 16 5.851 -2.527 0.899 1.00 0.10 C ATOM 257 CG1 ILE A 16 6.015 -4.046 0.989 1.00 0.12 C ATOM 258 CG2 ILE A 16 5.879 -2.072 -0.553 1.00 0.12 C ATOM 259 CD1 ILE A 16 4.849 -4.821 0.414 1.00 0.14 C ATOM 0 H ILE A 16 5.819 -2.316 3.411 1.00 0.10 H new ATOM 0 HA ILE A 16 7.918 -2.251 1.435 1.00 0.09 H new ATOM 0 HB ILE A 16 4.883 -2.251 1.318 1.00 0.10 H new ATOM 0 HG12 ILE A 16 6.926 -4.336 0.465 1.00 0.12 H new ATOM 0 HG13 ILE A 16 6.146 -4.327 2.034 1.00 0.12 H new ATOM 0 HG21 ILE A 16 5.091 -2.581 -1.109 1.00 0.12 H new ATOM 0 HG22 ILE A 16 5.719 -0.995 -0.600 1.00 0.12 H new ATOM 0 HG23 ILE A 16 6.847 -2.314 -0.992 1.00 0.12 H new ATOM 0 HD11 ILE A 16 5.038 -5.890 0.514 1.00 0.14 H new ATOM 0 HD12 ILE A 16 3.938 -4.562 0.954 1.00 0.14 H new ATOM 0 HD13 ILE A 16 4.730 -4.571 -0.640 1.00 0.14 H new ATOM 271 N LEU A 17 6.166 0.426 2.152 1.00 0.14 N ATOM 272 CA LEU A 17 6.086 1.873 1.976 1.00 0.19 C ATOM 273 C LEU A 17 7.342 2.559 2.515 1.00 0.18 C ATOM 274 O LEU A 17 7.821 3.539 1.946 1.00 0.26 O ATOM 275 CB LEU A 17 4.859 2.428 2.699 1.00 0.27 C ATOM 276 CG LEU A 17 3.603 2.558 1.839 1.00 0.35 C ATOM 277 CD1 LEU A 17 2.891 1.220 1.714 1.00 0.80 C ATOM 278 CD2 LEU A 17 2.678 3.609 2.425 1.00 0.77 C ATOM 0 H LEU A 17 5.559 0.059 2.885 1.00 0.14 H new ATOM 0 HA LEU A 17 6.003 2.076 0.908 1.00 0.19 H new ATOM 0 HB2 LEU A 17 4.634 1.782 3.548 1.00 0.27 H new ATOM 0 HB3 LEU A 17 5.107 3.410 3.102 1.00 0.27 H new ATOM 0 HG LEU A 17 3.898 2.873 0.838 1.00 0.35 H new ATOM 0 HD11 LEU A 17 2.000 1.338 1.097 1.00 0.80 H new ATOM 0 HD12 LEU A 17 3.559 0.494 1.251 1.00 0.80 H new ATOM 0 HD13 LEU A 17 2.603 0.867 2.704 1.00 0.80 H new ATOM 0 HD21 LEU A 17 1.786 3.695 1.805 1.00 0.77 H new ATOM 0 HD22 LEU A 17 2.391 3.319 3.436 1.00 0.77 H new ATOM 0 HD23 LEU A 17 3.192 4.570 2.456 1.00 0.77 H new ATOM 290 N HIS A 18 7.868 2.026 3.617 1.00 0.16 N ATOM 291 CA HIS A 18 9.053 2.586 4.268 1.00 0.16 C ATOM 292 C HIS A 18 10.296 2.513 3.383 1.00 0.13 C ATOM 293 O HIS A 18 11.190 3.353 3.499 1.00 0.15 O ATOM 294 CB HIS A 18 9.318 1.861 5.589 1.00 0.17 C ATOM 295 CG HIS A 18 8.378 2.251 6.687 1.00 0.25 C ATOM 296 ND1 HIS A 18 8.805 2.598 7.953 1.00 0.58 N ATOM 297 CD2 HIS A 18 7.028 2.346 6.709 1.00 0.28 C ATOM 298 CE1 HIS A 18 7.758 2.889 8.704 1.00 0.60 C ATOM 299 NE2 HIS A 18 6.668 2.745 7.973 1.00 0.33 N ATOM 0 H HIS A 18 7.489 1.201 4.081 1.00 0.16 H new ATOM 0 HA HIS A 18 8.847 3.640 4.455 1.00 0.16 H new ATOM 0 HB2 HIS A 18 9.245 0.786 5.425 1.00 0.17 H new ATOM 0 HB3 HIS A 18 10.340 2.066 5.907 1.00 0.17 H new ATOM 0 HD2 HIS A 18 6.358 2.145 5.886 1.00 0.28 H new ATOM 0 HE1 HIS A 18 7.788 3.193 9.740 1.00 0.60 H new ATOM 0 HE2 HIS A 18 5.713 2.904 8.295 1.00 0.33 H new ATOM 308 N LEU A 19 10.359 1.508 2.512 1.00 0.14 N ATOM 309 CA LEU A 19 11.508 1.338 1.624 1.00 0.14 C ATOM 310 C LEU A 19 11.868 2.661 0.938 1.00 0.16 C ATOM 311 O LEU A 19 11.097 3.175 0.129 1.00 0.18 O ATOM 312 CB LEU A 19 11.214 0.254 0.584 1.00 0.12 C ATOM 313 CG LEU A 19 10.974 -1.142 1.167 1.00 0.11 C ATOM 314 CD1 LEU A 19 10.587 -2.123 0.072 1.00 0.13 C ATOM 315 CD2 LEU A 19 12.209 -1.632 1.909 1.00 0.12 C ATOM 0 H LEU A 19 9.631 0.802 2.402 1.00 0.14 H new ATOM 0 HA LEU A 19 12.364 1.026 2.222 1.00 0.14 H new ATOM 0 HB2 LEU A 19 10.336 0.549 0.009 1.00 0.12 H new ATOM 0 HB3 LEU A 19 12.049 0.203 -0.114 1.00 0.12 H new ATOM 0 HG LEU A 19 10.149 -1.077 1.876 1.00 0.11 H new ATOM 0 HD11 LEU A 19 10.421 -3.108 0.508 1.00 0.13 H new ATOM 0 HD12 LEU A 19 9.673 -1.783 -0.415 1.00 0.13 H new ATOM 0 HD13 LEU A 19 11.389 -2.182 -0.664 1.00 0.13 H new ATOM 0 HD21 LEU A 19 12.019 -2.625 2.316 1.00 0.12 H new ATOM 0 HD22 LEU A 19 13.053 -1.677 1.221 1.00 0.12 H new ATOM 0 HD23 LEU A 19 12.441 -0.945 2.723 1.00 0.12 H new ATOM 327 N PRO A 20 13.052 3.230 1.256 1.00 0.18 N ATOM 328 CA PRO A 20 13.495 4.505 0.687 1.00 0.21 C ATOM 329 C PRO A 20 14.096 4.368 -0.709 1.00 0.21 C ATOM 330 O PRO A 20 13.756 5.133 -1.612 1.00 0.23 O ATOM 331 CB PRO A 20 14.558 4.968 1.680 1.00 0.24 C ATOM 332 CG PRO A 20 15.153 3.708 2.208 1.00 0.22 C ATOM 333 CD PRO A 20 14.056 2.672 2.188 1.00 0.19 C ATOM 0 HA PRO A 20 12.664 5.198 0.556 1.00 0.21 H new ATOM 0 HB2 PRO A 20 15.311 5.589 1.194 1.00 0.24 H new ATOM 0 HB3 PRO A 20 14.120 5.565 2.480 1.00 0.24 H new ATOM 0 HG2 PRO A 20 15.996 3.391 1.595 1.00 0.22 H new ATOM 0 HG3 PRO A 20 15.531 3.852 3.220 1.00 0.22 H new ATOM 0 HD2 PRO A 20 14.426 1.706 1.844 1.00 0.19 H new ATOM 0 HD3 PRO A 20 13.635 2.517 3.182 1.00 0.19 H new ATOM 341 N ASN A 21 14.990 3.400 -0.883 1.00 0.20 N ATOM 342 CA ASN A 21 15.630 3.187 -2.175 1.00 0.21 C ATOM 343 C ASN A 21 14.598 2.788 -3.221 1.00 0.20 C ATOM 344 O ASN A 21 14.799 2.997 -4.417 1.00 0.23 O ATOM 345 CB ASN A 21 16.723 2.123 -2.064 1.00 0.21 C ATOM 346 CG ASN A 21 17.833 2.538 -1.116 1.00 0.26 C ATOM 347 OD1 ASN A 21 18.125 3.725 -0.966 1.00 0.30 O ATOM 348 ND2 ASN A 21 18.459 1.560 -0.472 1.00 0.26 N ATOM 0 H ASN A 21 15.286 2.755 -0.151 1.00 0.20 H new ATOM 0 HA ASN A 21 16.094 4.122 -2.489 1.00 0.21 H new ATOM 0 HB2 ASN A 21 16.283 1.187 -1.718 1.00 0.21 H new ATOM 0 HB3 ASN A 21 17.143 1.932 -3.051 1.00 0.21 H new ATOM 0 HD21 ASN A 21 19.215 1.779 0.177 1.00 0.26 H new ATOM 0 HD22 ASN A 21 18.184 0.590 -0.627 1.00 0.26 H new ATOM 355 N LEU A 22 13.490 2.218 -2.760 1.00 0.18 N ATOM 356 CA LEU A 22 12.414 1.808 -3.650 1.00 0.17 C ATOM 357 C LEU A 22 11.536 3.013 -3.973 1.00 0.20 C ATOM 358 O LEU A 22 11.379 3.908 -3.143 1.00 0.26 O ATOM 359 CB LEU A 22 11.576 0.703 -3.003 1.00 0.17 C ATOM 360 CG LEU A 22 10.824 -0.199 -3.981 1.00 0.17 C ATOM 361 CD1 LEU A 22 11.798 -1.066 -4.764 1.00 0.29 C ATOM 362 CD2 LEU A 22 9.813 -1.063 -3.242 1.00 0.26 C ATOM 0 H LEU A 22 13.315 2.030 -1.773 1.00 0.18 H new ATOM 0 HA LEU A 22 12.844 1.416 -4.572 1.00 0.17 H new ATOM 0 HB2 LEU A 22 12.231 0.083 -2.392 1.00 0.17 H new ATOM 0 HB3 LEU A 22 10.854 1.164 -2.329 1.00 0.17 H new ATOM 0 HG LEU A 22 10.284 0.433 -4.686 1.00 0.17 H new ATOM 0 HD11 LEU A 22 11.245 -1.702 -5.455 1.00 0.29 H new ATOM 0 HD12 LEU A 22 12.482 -0.429 -5.325 1.00 0.29 H new ATOM 0 HD13 LEU A 22 12.366 -1.689 -4.074 1.00 0.29 H new ATOM 0 HD21 LEU A 22 9.287 -1.698 -3.955 1.00 0.26 H new ATOM 0 HD22 LEU A 22 10.331 -1.687 -2.513 1.00 0.26 H new ATOM 0 HD23 LEU A 22 9.095 -0.424 -2.728 1.00 0.26 H new ATOM 374 N ASN A 23 10.965 3.036 -5.172 1.00 0.22 N ATOM 375 CA ASN A 23 10.121 4.158 -5.575 1.00 0.27 C ATOM 376 C ASN A 23 8.654 3.760 -5.651 1.00 0.24 C ATOM 377 O ASN A 23 8.293 2.618 -5.368 1.00 0.29 O ATOM 378 CB ASN A 23 10.573 4.721 -6.923 1.00 0.33 C ATOM 379 CG ASN A 23 10.521 3.690 -8.034 1.00 0.75 C ATOM 380 OD1 ASN A 23 10.667 2.491 -7.794 1.00 1.59 O ATOM 381 ND2 ASN A 23 10.318 4.154 -9.261 1.00 1.33 N ATOM 0 H ASN A 23 11.068 2.303 -5.874 1.00 0.22 H new ATOM 0 HA ASN A 23 10.226 4.929 -4.811 1.00 0.27 H new ATOM 0 HB2 ASN A 23 9.941 5.568 -7.189 1.00 0.33 H new ATOM 0 HB3 ASN A 23 11.591 5.100 -6.831 1.00 0.33 H new ATOM 0 HD21 ASN A 23 10.278 3.509 -10.050 1.00 1.33 H new ATOM 0 HD22 ASN A 23 10.202 5.156 -9.415 1.00 1.33 H new ATOM 388 N GLU A 24 7.815 4.713 -6.034 1.00 0.29 N ATOM 389 CA GLU A 24 6.384 4.473 -6.147 1.00 0.29 C ATOM 390 C GLU A 24 6.089 3.423 -7.213 1.00 0.24 C ATOM 391 O GLU A 24 5.194 2.596 -7.049 1.00 0.22 O ATOM 392 CB GLU A 24 5.662 5.775 -6.476 1.00 0.36 C ATOM 393 CG GLU A 24 6.158 6.405 -7.754 1.00 1.23 C ATOM 394 CD GLU A 24 5.862 7.890 -7.833 1.00 1.42 C ATOM 395 OE1 GLU A 24 6.678 8.687 -7.322 1.00 1.25 O ATOM 396 OE2 GLU A 24 4.813 8.258 -8.403 1.00 2.17 O ATOM 0 H GLU A 24 8.103 5.662 -6.272 1.00 0.29 H new ATOM 0 HA GLU A 24 6.023 4.096 -5.190 1.00 0.29 H new ATOM 0 HB2 GLU A 24 4.593 5.582 -6.561 1.00 0.36 H new ATOM 0 HB3 GLU A 24 5.794 6.478 -5.653 1.00 0.36 H new ATOM 0 HG2 GLU A 24 7.234 6.249 -7.836 1.00 1.23 H new ATOM 0 HG3 GLU A 24 5.697 5.902 -8.604 1.00 1.23 H new ATOM 403 N GLU A 25 6.850 3.459 -8.304 1.00 0.27 N ATOM 404 CA GLU A 25 6.665 2.513 -9.398 1.00 0.28 C ATOM 405 C GLU A 25 6.744 1.074 -8.900 1.00 0.24 C ATOM 406 O GLU A 25 5.811 0.292 -9.084 1.00 0.30 O ATOM 407 CB GLU A 25 7.713 2.745 -10.489 1.00 0.36 C ATOM 408 CG GLU A 25 7.650 4.131 -11.108 1.00 0.91 C ATOM 409 CD GLU A 25 8.629 4.303 -12.253 1.00 1.60 C ATOM 410 OE1 GLU A 25 9.784 4.699 -11.990 1.00 2.20 O ATOM 411 OE2 GLU A 25 8.242 4.041 -13.411 1.00 2.00 O ATOM 0 H GLU A 25 7.600 4.134 -8.453 1.00 0.27 H new ATOM 0 HA GLU A 25 5.672 2.678 -9.817 1.00 0.28 H new ATOM 0 HB2 GLU A 25 8.706 2.590 -10.066 1.00 0.36 H new ATOM 0 HB3 GLU A 25 7.580 2.000 -11.273 1.00 0.36 H new ATOM 0 HG2 GLU A 25 6.639 4.318 -11.468 1.00 0.91 H new ATOM 0 HG3 GLU A 25 7.859 4.877 -10.341 1.00 0.91 H new ATOM 418 N GLN A 26 7.862 0.730 -8.268 1.00 0.18 N ATOM 419 CA GLN A 26 8.057 -0.618 -7.747 1.00 0.15 C ATOM 420 C GLN A 26 7.070 -0.914 -6.622 1.00 0.13 C ATOM 421 O GLN A 26 6.461 -1.983 -6.584 1.00 0.16 O ATOM 422 CB GLN A 26 9.490 -0.794 -7.243 1.00 0.15 C ATOM 423 CG GLN A 26 10.550 -0.549 -8.306 1.00 0.19 C ATOM 424 CD GLN A 26 10.597 -1.638 -9.358 1.00 1.03 C ATOM 425 OE1 GLN A 26 9.600 -2.303 -9.634 1.00 2.00 O ATOM 426 NE2 GLN A 26 11.765 -1.818 -9.960 1.00 1.59 N ATOM 0 H GLN A 26 8.644 1.364 -8.105 1.00 0.18 H new ATOM 0 HA GLN A 26 7.878 -1.322 -8.559 1.00 0.15 H new ATOM 0 HB2 GLN A 26 9.659 -0.111 -6.411 1.00 0.15 H new ATOM 0 HB3 GLN A 26 9.606 -1.805 -6.854 1.00 0.15 H new ATOM 0 HG2 GLN A 26 10.356 0.408 -8.790 1.00 0.19 H new ATOM 0 HG3 GLN A 26 11.526 -0.472 -7.827 1.00 0.19 H new ATOM 0 HE21 GLN A 26 12.567 -1.244 -9.700 1.00 1.59 H new ATOM 0 HE22 GLN A 26 11.862 -2.531 -10.683 1.00 1.59 H new ATOM 435 N ARG A 27 6.917 0.042 -5.711 1.00 0.13 N ATOM 436 CA ARG A 27 6.007 -0.110 -4.581 1.00 0.13 C ATOM 437 C ARG A 27 4.592 -0.440 -5.048 1.00 0.14 C ATOM 438 O ARG A 27 3.887 -1.221 -4.410 1.00 0.23 O ATOM 439 CB ARG A 27 5.985 1.167 -3.740 1.00 0.14 C ATOM 440 CG ARG A 27 5.113 1.061 -2.500 1.00 0.18 C ATOM 441 CD ARG A 27 5.023 2.390 -1.768 1.00 0.41 C ATOM 442 NE ARG A 27 6.341 2.902 -1.402 1.00 1.59 N ATOM 443 CZ ARG A 27 6.820 4.074 -1.808 1.00 1.94 C ATOM 444 NH1 ARG A 27 6.101 4.848 -2.611 1.00 1.37 N ATOM 445 NH2 ARG A 27 8.023 4.470 -1.417 1.00 3.04 N ATOM 0 H ARG A 27 7.413 0.933 -5.734 1.00 0.13 H new ATOM 0 HA ARG A 27 6.371 -0.938 -3.973 1.00 0.13 H new ATOM 0 HB2 ARG A 27 7.003 1.412 -3.438 1.00 0.14 H new ATOM 0 HB3 ARG A 27 5.628 1.992 -4.356 1.00 0.14 H new ATOM 0 HG2 ARG A 27 4.113 0.732 -2.784 1.00 0.18 H new ATOM 0 HG3 ARG A 27 5.520 0.303 -1.831 1.00 0.18 H new ATOM 0 HD2 ARG A 27 4.513 3.118 -2.399 1.00 0.41 H new ATOM 0 HD3 ARG A 27 4.418 2.269 -0.869 1.00 0.41 H new ATOM 0 HE ARG A 27 6.929 2.326 -0.799 1.00 1.59 H new ATOM 0 HH11 ARG A 27 5.177 4.545 -2.919 1.00 1.37 H new ATOM 0 HH12 ARG A 27 6.472 5.746 -2.920 1.00 1.37 H new ATOM 0 HH21 ARG A 27 8.582 3.876 -0.805 1.00 3.04 H new ATOM 0 HH22 ARG A 27 8.390 5.369 -1.729 1.00 3.04 H new ATOM 459 N ASN A 28 4.180 0.162 -6.159 1.00 0.13 N ATOM 460 CA ASN A 28 2.847 -0.070 -6.704 1.00 0.15 C ATOM 461 C ASN A 28 2.683 -1.516 -7.152 1.00 0.15 C ATOM 462 O ASN A 28 1.618 -2.110 -6.982 1.00 0.21 O ATOM 463 CB ASN A 28 2.573 0.874 -7.878 1.00 0.19 C ATOM 464 CG ASN A 28 2.159 2.261 -7.429 1.00 0.20 C ATOM 465 OD1 ASN A 28 2.705 2.708 -6.306 1.00 0.26 O flip ATOM 466 ND2 ASN A 28 1.361 2.927 -8.089 1.00 0.19 N flip ATOM 0 H ASN A 28 4.749 0.814 -6.699 1.00 0.13 H new ATOM 0 HA ASN A 28 2.125 0.130 -5.913 1.00 0.15 H new ATOM 0 HB2 ASN A 28 3.468 0.949 -8.495 1.00 0.19 H new ATOM 0 HB3 ASN A 28 1.788 0.450 -8.504 1.00 0.19 H new ATOM 0 HD21 ASN A 28 0.965 2.544 -8.947 1.00 0.19 H new ATOM 0 HD22 ASN A 28 1.096 3.861 -7.777 1.00 0.19 H new ATOM 473 N ALA A 29 3.742 -2.078 -7.725 1.00 0.12 N ATOM 474 CA ALA A 29 3.709 -3.456 -8.197 1.00 0.12 C ATOM 475 C ALA A 29 3.561 -4.429 -7.033 1.00 0.11 C ATOM 476 O ALA A 29 2.840 -5.423 -7.131 1.00 0.15 O ATOM 477 CB ALA A 29 4.964 -3.773 -8.996 1.00 0.15 C ATOM 0 H ALA A 29 4.631 -1.601 -7.873 1.00 0.12 H new ATOM 0 HA ALA A 29 2.841 -3.571 -8.847 1.00 0.12 H new ATOM 0 HB1 ALA A 29 4.924 -4.806 -9.342 1.00 0.15 H new ATOM 0 HB2 ALA A 29 5.027 -3.105 -9.855 1.00 0.15 H new ATOM 0 HB3 ALA A 29 5.842 -3.635 -8.365 1.00 0.15 H new ATOM 483 N PHE A 30 4.246 -4.137 -5.933 1.00 0.10 N ATOM 484 CA PHE A 30 4.186 -4.988 -4.751 1.00 0.10 C ATOM 485 C PHE A 30 2.824 -4.879 -4.072 1.00 0.12 C ATOM 486 O PHE A 30 2.230 -5.889 -3.696 1.00 0.18 O ATOM 487 CB PHE A 30 5.305 -4.628 -3.772 1.00 0.12 C ATOM 488 CG PHE A 30 6.668 -5.039 -4.256 1.00 0.12 C ATOM 489 CD1 PHE A 30 7.016 -6.379 -4.326 1.00 0.12 C ATOM 490 CD2 PHE A 30 7.598 -4.088 -4.643 1.00 0.18 C ATOM 491 CE1 PHE A 30 8.266 -6.763 -4.772 1.00 0.16 C ATOM 492 CE2 PHE A 30 8.850 -4.465 -5.090 1.00 0.21 C ATOM 493 CZ PHE A 30 9.185 -5.804 -5.155 1.00 0.20 C ATOM 0 H PHE A 30 4.848 -3.319 -5.835 1.00 0.10 H new ATOM 0 HA PHE A 30 4.325 -6.021 -5.069 1.00 0.10 H new ATOM 0 HB2 PHE A 30 5.297 -3.552 -3.600 1.00 0.12 H new ATOM 0 HB3 PHE A 30 5.108 -5.106 -2.812 1.00 0.12 H new ATOM 0 HD1 PHE A 30 6.301 -7.132 -4.028 1.00 0.12 H new ATOM 0 HD2 PHE A 30 7.342 -3.040 -4.595 1.00 0.18 H new ATOM 0 HE1 PHE A 30 8.525 -7.810 -4.821 1.00 0.16 H new ATOM 0 HE2 PHE A 30 9.566 -3.714 -5.388 1.00 0.21 H new ATOM 0 HZ PHE A 30 10.163 -6.101 -5.504 1.00 0.20 H new ATOM 503 N ILE A 31 2.335 -3.651 -3.916 1.00 0.10 N ATOM 504 CA ILE A 31 1.034 -3.423 -3.298 1.00 0.11 C ATOM 505 C ILE A 31 -0.059 -4.105 -4.119 1.00 0.11 C ATOM 506 O ILE A 31 -1.031 -4.627 -3.573 1.00 0.16 O ATOM 507 CB ILE A 31 0.728 -1.912 -3.160 1.00 0.11 C ATOM 508 CG1 ILE A 31 1.676 -1.274 -2.138 1.00 0.12 C ATOM 509 CG2 ILE A 31 -0.725 -1.687 -2.757 1.00 0.13 C ATOM 510 CD1 ILE A 31 1.471 0.215 -1.953 1.00 0.13 C ATOM 0 H ILE A 31 2.819 -2.802 -4.208 1.00 0.10 H new ATOM 0 HA ILE A 31 1.058 -3.852 -2.296 1.00 0.11 H new ATOM 0 HB ILE A 31 0.886 -1.437 -4.129 1.00 0.11 H new ATOM 0 HG12 ILE A 31 1.545 -1.771 -1.177 1.00 0.12 H new ATOM 0 HG13 ILE A 31 2.705 -1.453 -2.451 1.00 0.12 H new ATOM 0 HG21 ILE A 31 -0.916 -0.618 -2.666 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -1.383 -2.110 -3.516 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -0.916 -2.172 -1.800 1.00 0.13 H new ATOM 0 HD11 ILE A 31 2.179 0.591 -1.215 1.00 0.13 H new ATOM 0 HD12 ILE A 31 1.632 0.725 -2.903 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.454 0.402 -1.608 1.00 0.13 H new ATOM 522 N GLN A 32 0.118 -4.096 -5.438 1.00 0.08 N ATOM 523 CA GLN A 32 -0.825 -4.720 -6.354 1.00 0.09 C ATOM 524 C GLN A 32 -0.903 -6.227 -6.121 1.00 0.11 C ATOM 525 O GLN A 32 -1.991 -6.794 -6.018 1.00 0.19 O ATOM 526 CB GLN A 32 -0.397 -4.443 -7.795 1.00 0.11 C ATOM 527 CG GLN A 32 -1.555 -4.367 -8.767 1.00 0.15 C ATOM 528 CD GLN A 32 -1.121 -4.021 -10.172 1.00 0.29 C ATOM 529 OE1 GLN A 32 -1.151 -2.738 -10.494 1.00 0.82 O flip ATOM 530 NE2 GLN A 32 -0.773 -4.898 -10.963 1.00 1.04 N flip ATOM 0 H GLN A 32 0.916 -3.657 -5.897 1.00 0.08 H new ATOM 0 HA GLN A 32 -1.813 -4.296 -6.173 1.00 0.09 H new ATOM 0 HB2 GLN A 32 0.156 -3.504 -7.827 1.00 0.11 H new ATOM 0 HB3 GLN A 32 0.288 -5.227 -8.119 1.00 0.11 H new ATOM 0 HG2 GLN A 32 -2.077 -5.324 -8.779 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -2.268 -3.620 -8.418 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -0.766 -5.875 -10.670 1.00 1.04 H new ATOM 0 HE22 GLN A 32 -0.492 -4.647 -11.911 1.00 1.04 H new ATOM 539 N SER A 33 0.261 -6.869 -6.038 1.00 0.09 N ATOM 540 CA SER A 33 0.330 -8.312 -5.827 1.00 0.11 C ATOM 541 C SER A 33 -0.009 -8.684 -4.387 1.00 0.10 C ATOM 542 O SER A 33 -0.347 -9.831 -4.098 1.00 0.15 O ATOM 543 CB SER A 33 1.723 -8.832 -6.184 1.00 0.13 C ATOM 544 OG SER A 33 2.027 -8.581 -7.546 1.00 1.19 O ATOM 0 H SER A 33 1.169 -6.411 -6.114 1.00 0.09 H new ATOM 0 HA SER A 33 -0.409 -8.778 -6.479 1.00 0.11 H new ATOM 0 HB2 SER A 33 2.467 -8.354 -5.548 1.00 0.13 H new ATOM 0 HB3 SER A 33 1.776 -9.903 -5.987 1.00 0.13 H new ATOM 0 HG SER A 33 2.335 -7.656 -7.647 1.00 1.19 H new ATOM 550 N LEU A 34 0.087 -7.713 -3.485 1.00 0.10 N ATOM 551 CA LEU A 34 -0.217 -7.947 -2.077 1.00 0.11 C ATOM 552 C LEU A 34 -1.722 -8.093 -1.880 1.00 0.13 C ATOM 553 O LEU A 34 -2.180 -8.816 -0.996 1.00 0.18 O ATOM 554 CB LEU A 34 0.307 -6.786 -1.223 1.00 0.10 C ATOM 555 CG LEU A 34 0.917 -7.177 0.128 1.00 0.13 C ATOM 556 CD1 LEU A 34 1.392 -5.936 0.869 1.00 0.16 C ATOM 557 CD2 LEU A 34 -0.083 -7.949 0.979 1.00 0.17 C ATOM 0 H LEU A 34 0.372 -6.758 -3.703 1.00 0.10 H new ATOM 0 HA LEU A 34 0.273 -8.869 -1.764 1.00 0.11 H new ATOM 0 HB2 LEU A 34 1.060 -6.247 -1.798 1.00 0.10 H new ATOM 0 HB3 LEU A 34 -0.514 -6.092 -1.043 1.00 0.10 H new ATOM 0 HG LEU A 34 1.772 -7.826 -0.061 1.00 0.13 H new ATOM 0 HD11 LEU A 34 1.823 -6.227 1.827 1.00 0.16 H new ATOM 0 HD12 LEU A 34 2.146 -5.422 0.273 1.00 0.16 H new ATOM 0 HD13 LEU A 34 0.547 -5.268 1.039 1.00 0.16 H new ATOM 0 HD21 LEU A 34 0.377 -8.213 1.931 1.00 0.17 H new ATOM 0 HD22 LEU A 34 -0.961 -7.330 1.160 1.00 0.17 H new ATOM 0 HD23 LEU A 34 -0.381 -8.857 0.456 1.00 0.17 H new ATOM 569 N LYS A 35 -2.480 -7.402 -2.722 1.00 0.15 N ATOM 570 CA LYS A 35 -3.936 -7.426 -2.653 1.00 0.19 C ATOM 571 C LYS A 35 -4.504 -8.661 -3.350 1.00 0.22 C ATOM 572 O LYS A 35 -5.421 -9.306 -2.842 1.00 0.31 O ATOM 573 CB LYS A 35 -4.499 -6.160 -3.298 1.00 0.23 C ATOM 574 CG LYS A 35 -5.986 -5.960 -3.071 1.00 0.23 C ATOM 575 CD LYS A 35 -6.287 -5.664 -1.611 1.00 0.24 C ATOM 576 CE LYS A 35 -7.747 -5.303 -1.414 1.00 0.22 C ATOM 577 NZ LYS A 35 -8.646 -6.458 -1.684 1.00 0.46 N ATOM 0 H LYS A 35 -2.107 -6.813 -3.467 1.00 0.15 H new ATOM 0 HA LYS A 35 -4.229 -7.467 -1.604 1.00 0.19 H new ATOM 0 HB2 LYS A 35 -3.963 -5.296 -2.906 1.00 0.23 H new ATOM 0 HB3 LYS A 35 -4.307 -6.195 -4.370 1.00 0.23 H new ATOM 0 HG2 LYS A 35 -6.344 -5.139 -3.692 1.00 0.23 H new ATOM 0 HG3 LYS A 35 -6.527 -6.854 -3.382 1.00 0.23 H new ATOM 0 HD2 LYS A 35 -6.039 -6.534 -1.002 1.00 0.24 H new ATOM 0 HD3 LYS A 35 -5.657 -4.844 -1.266 1.00 0.24 H new ATOM 0 HE2 LYS A 35 -7.900 -4.955 -0.393 1.00 0.22 H new ATOM 0 HE3 LYS A 35 -8.009 -4.477 -2.075 1.00 0.22 H new ATOM 0 HZ1 LYS A 35 -9.287 -6.223 -2.469 1.00 0.46 H new ATOM 0 HZ2 LYS A 35 -8.076 -7.290 -1.939 1.00 0.46 H new ATOM 0 HZ3 LYS A 35 -9.205 -6.669 -0.833 1.00 0.46 H new ATOM 591 N ASP A 36 -3.954 -8.982 -4.516 1.00 0.23 N ATOM 592 CA ASP A 36 -4.411 -10.133 -5.288 1.00 0.28 C ATOM 593 C ASP A 36 -3.866 -11.436 -4.713 1.00 0.25 C ATOM 594 O ASP A 36 -4.513 -12.480 -4.794 1.00 0.33 O ATOM 595 CB ASP A 36 -3.978 -9.993 -6.747 1.00 0.34 C ATOM 596 CG ASP A 36 -4.520 -11.105 -7.621 1.00 1.07 C ATOM 597 OD1 ASP A 36 -3.866 -12.166 -7.707 1.00 2.07 O ATOM 598 OD2 ASP A 36 -5.600 -10.917 -8.222 1.00 0.96 O ATOM 0 H ASP A 36 -3.191 -8.461 -4.948 1.00 0.23 H new ATOM 0 HA ASP A 36 -5.499 -10.163 -5.233 1.00 0.28 H new ATOM 0 HB2 ASP A 36 -4.319 -9.032 -7.133 1.00 0.34 H new ATOM 0 HB3 ASP A 36 -2.889 -9.990 -6.801 1.00 0.34 H new ATOM 603 N ASP A 37 -2.675 -11.366 -4.132 1.00 0.20 N ATOM 604 CA ASP A 37 -2.038 -12.540 -3.548 1.00 0.22 C ATOM 605 C ASP A 37 -1.546 -12.249 -2.131 1.00 0.18 C ATOM 606 O ASP A 37 -0.348 -12.078 -1.906 1.00 0.16 O ATOM 607 CB ASP A 37 -0.867 -12.996 -4.422 1.00 0.27 C ATOM 608 CG ASP A 37 -1.279 -13.237 -5.861 1.00 0.76 C ATOM 609 OD1 ASP A 37 -1.791 -14.337 -6.155 1.00 0.91 O ATOM 610 OD2 ASP A 37 -1.087 -12.326 -6.694 1.00 1.29 O ATOM 0 H ASP A 37 -2.130 -10.508 -4.052 1.00 0.20 H new ATOM 0 HA ASP A 37 -2.780 -13.337 -3.498 1.00 0.22 H new ATOM 0 HB2 ASP A 37 -0.081 -12.242 -4.394 1.00 0.27 H new ATOM 0 HB3 ASP A 37 -0.445 -13.912 -4.010 1.00 0.27 H new ATOM 615 N PRO A 38 -2.471 -12.185 -1.155 1.00 0.21 N ATOM 616 CA PRO A 38 -2.126 -11.919 0.246 1.00 0.21 C ATOM 617 C PRO A 38 -1.182 -12.972 0.821 1.00 0.21 C ATOM 618 O PRO A 38 -0.517 -12.737 1.830 1.00 0.23 O ATOM 619 CB PRO A 38 -3.478 -11.961 0.971 1.00 0.27 C ATOM 620 CG PRO A 38 -4.390 -12.694 0.046 1.00 0.30 C ATOM 621 CD PRO A 38 -3.921 -12.356 -1.338 1.00 0.26 C ATOM 0 HA PRO A 38 -1.601 -10.971 0.358 1.00 0.21 H new ATOM 0 HB2 PRO A 38 -3.396 -12.472 1.930 1.00 0.27 H new ATOM 0 HB3 PRO A 38 -3.848 -10.956 1.175 1.00 0.27 H new ATOM 0 HG2 PRO A 38 -4.346 -13.769 0.223 1.00 0.30 H new ATOM 0 HG3 PRO A 38 -5.426 -12.389 0.194 1.00 0.30 H new ATOM 0 HD2 PRO A 38 -4.149 -13.151 -2.048 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -4.392 -11.448 -1.715 1.00 0.26 H new ATOM 629 N SER A 39 -1.129 -14.133 0.174 1.00 0.21 N ATOM 630 CA SER A 39 -0.261 -15.218 0.621 1.00 0.23 C ATOM 631 C SER A 39 1.204 -14.872 0.376 1.00 0.21 C ATOM 632 O SER A 39 2.095 -15.370 1.063 1.00 0.24 O ATOM 633 CB SER A 39 -0.618 -16.518 -0.102 1.00 0.26 C ATOM 634 OG SER A 39 0.235 -17.577 0.301 1.00 1.37 O ATOM 0 H SER A 39 -1.676 -14.346 -0.660 1.00 0.21 H new ATOM 0 HA SER A 39 -0.412 -15.355 1.692 1.00 0.23 H new ATOM 0 HB2 SER A 39 -1.655 -16.782 0.108 1.00 0.26 H new ATOM 0 HB3 SER A 39 -0.538 -16.372 -1.179 1.00 0.26 H new ATOM 0 HG SER A 39 -0.015 -18.397 -0.174 1.00 1.37 H new ATOM 640 N GLN A 40 1.440 -14.013 -0.611 1.00 0.19 N ATOM 641 CA GLN A 40 2.791 -13.589 -0.958 1.00 0.18 C ATOM 642 C GLN A 40 3.237 -12.416 -0.091 1.00 0.16 C ATOM 643 O GLN A 40 4.329 -11.882 -0.270 1.00 0.16 O ATOM 644 CB GLN A 40 2.870 -13.209 -2.437 1.00 0.21 C ATOM 645 CG GLN A 40 2.623 -14.375 -3.379 1.00 0.27 C ATOM 646 CD GLN A 40 3.627 -15.495 -3.193 1.00 0.34 C ATOM 647 OE1 GLN A 40 4.684 -15.508 -3.825 1.00 0.62 O ATOM 648 NE2 GLN A 40 3.300 -16.445 -2.324 1.00 0.69 N ATOM 0 H GLN A 40 0.709 -13.596 -1.187 1.00 0.19 H new ATOM 0 HA GLN A 40 3.463 -14.427 -0.773 1.00 0.18 H new ATOM 0 HB2 GLN A 40 2.140 -12.426 -2.642 1.00 0.21 H new ATOM 0 HB3 GLN A 40 3.854 -12.788 -2.643 1.00 0.21 H new ATOM 0 HG2 GLN A 40 1.617 -14.762 -3.216 1.00 0.27 H new ATOM 0 HG3 GLN A 40 2.665 -14.021 -4.409 1.00 0.27 H new ATOM 0 HE21 GLN A 40 2.413 -16.394 -1.822 1.00 0.69 H new ATOM 0 HE22 GLN A 40 3.936 -17.225 -2.158 1.00 0.69 H new ATOM 657 N SER A 41 2.374 -12.013 0.838 1.00 0.17 N ATOM 658 CA SER A 41 2.663 -10.896 1.738 1.00 0.20 C ATOM 659 C SER A 41 4.094 -10.958 2.270 1.00 0.20 C ATOM 660 O SER A 41 4.714 -9.926 2.521 1.00 0.25 O ATOM 661 CB SER A 41 1.678 -10.894 2.907 1.00 0.23 C ATOM 662 OG SER A 41 1.666 -12.148 3.565 1.00 1.10 O ATOM 0 H SER A 41 1.463 -12.446 0.989 1.00 0.17 H new ATOM 0 HA SER A 41 2.554 -9.974 1.166 1.00 0.20 H new ATOM 0 HB2 SER A 41 1.950 -10.111 3.615 1.00 0.23 H new ATOM 0 HB3 SER A 41 0.677 -10.661 2.543 1.00 0.23 H new ATOM 0 HG SER A 41 0.961 -12.711 3.183 1.00 1.10 H new ATOM 668 N ALA A 42 4.607 -12.171 2.444 1.00 0.18 N ATOM 669 CA ALA A 42 5.965 -12.361 2.943 1.00 0.20 C ATOM 670 C ALA A 42 6.971 -12.398 1.798 1.00 0.17 C ATOM 671 O ALA A 42 8.101 -11.930 1.937 1.00 0.18 O ATOM 672 CB ALA A 42 6.048 -13.637 3.764 1.00 0.24 C ATOM 0 H ALA A 42 4.104 -13.036 2.247 1.00 0.18 H new ATOM 0 HA ALA A 42 6.215 -11.514 3.581 1.00 0.20 H new ATOM 0 HB1 ALA A 42 7.066 -13.768 4.131 1.00 0.24 H new ATOM 0 HB2 ALA A 42 5.363 -13.571 4.609 1.00 0.24 H new ATOM 0 HB3 ALA A 42 5.774 -14.489 3.141 1.00 0.24 H new ATOM 678 N ASN A 43 6.554 -12.958 0.666 1.00 0.16 N ATOM 679 CA ASN A 43 7.419 -13.052 -0.505 1.00 0.16 C ATOM 680 C ASN A 43 7.657 -11.675 -1.111 1.00 0.13 C ATOM 681 O ASN A 43 8.794 -11.215 -1.201 1.00 0.14 O ATOM 682 CB ASN A 43 6.797 -13.982 -1.547 1.00 0.18 C ATOM 683 CG ASN A 43 6.803 -15.433 -1.105 1.00 0.21 C ATOM 684 OD1 ASN A 43 5.789 -15.823 -0.342 1.00 0.59 O flip ATOM 685 ND2 ASN A 43 7.714 -16.191 -1.437 1.00 0.71 N flip ATOM 0 H ASN A 43 5.623 -13.353 0.535 1.00 0.16 H new ATOM 0 HA ASN A 43 8.379 -13.462 -0.190 1.00 0.16 H new ATOM 0 HB2 ASN A 43 5.771 -13.669 -1.743 1.00 0.18 H new ATOM 0 HB3 ASN A 43 7.344 -13.889 -2.485 1.00 0.18 H new ATOM 0 HD21 ASN A 43 8.474 -15.848 -2.025 1.00 0.71 H new ATOM 0 HD22 ASN A 43 7.709 -17.162 -1.124 1.00 0.71 H new ATOM 692 N LEU A 44 6.574 -11.028 -1.530 1.00 0.13 N ATOM 693 CA LEU A 44 6.650 -9.696 -2.119 1.00 0.12 C ATOM 694 C LEU A 44 7.451 -8.761 -1.224 1.00 0.11 C ATOM 695 O LEU A 44 8.187 -7.900 -1.708 1.00 0.12 O ATOM 696 CB LEU A 44 5.242 -9.142 -2.333 1.00 0.12 C ATOM 697 CG LEU A 44 4.319 -10.042 -3.155 1.00 0.16 C ATOM 698 CD1 LEU A 44 2.868 -9.636 -2.960 1.00 0.16 C ATOM 699 CD2 LEU A 44 4.697 -9.992 -4.629 1.00 0.23 C ATOM 0 H LEU A 44 5.629 -11.407 -1.472 1.00 0.13 H new ATOM 0 HA LEU A 44 7.156 -9.768 -3.082 1.00 0.12 H new ATOM 0 HB2 LEU A 44 4.784 -8.967 -1.360 1.00 0.12 H new ATOM 0 HB3 LEU A 44 5.319 -8.174 -2.828 1.00 0.12 H new ATOM 0 HG LEU A 44 4.438 -11.068 -2.806 1.00 0.16 H new ATOM 0 HD11 LEU A 44 2.225 -10.287 -3.552 1.00 0.16 H new ATOM 0 HD12 LEU A 44 2.603 -9.726 -1.906 1.00 0.16 H new ATOM 0 HD13 LEU A 44 2.733 -8.603 -3.281 1.00 0.16 H new ATOM 0 HD21 LEU A 44 4.029 -10.639 -5.198 1.00 0.23 H new ATOM 0 HD22 LEU A 44 4.608 -8.968 -4.993 1.00 0.23 H new ATOM 0 HD23 LEU A 44 5.725 -10.333 -4.753 1.00 0.23 H new ATOM 711 N LEU A 45 7.299 -8.935 0.086 1.00 0.12 N ATOM 712 CA LEU A 45 8.023 -8.122 1.054 1.00 0.13 C ATOM 713 C LEU A 45 9.518 -8.333 0.883 1.00 0.13 C ATOM 714 O LEU A 45 10.280 -7.380 0.725 1.00 0.15 O ATOM 715 CB LEU A 45 7.614 -8.501 2.478 1.00 0.15 C ATOM 716 CG LEU A 45 7.316 -7.329 3.419 1.00 0.14 C ATOM 717 CD1 LEU A 45 7.166 -7.829 4.848 1.00 0.18 C ATOM 718 CD2 LEU A 45 8.407 -6.269 3.337 1.00 0.14 C ATOM 0 H LEU A 45 6.680 -9.632 0.500 1.00 0.12 H new ATOM 0 HA LEU A 45 7.779 -7.073 0.883 1.00 0.13 H new ATOM 0 HB2 LEU A 45 6.729 -9.135 2.425 1.00 0.15 H new ATOM 0 HB3 LEU A 45 8.410 -9.102 2.917 1.00 0.15 H new ATOM 0 HG LEU A 45 6.378 -6.870 3.106 1.00 0.14 H new ATOM 0 HD11 LEU A 45 6.954 -6.987 5.508 1.00 0.18 H new ATOM 0 HD12 LEU A 45 6.346 -8.545 4.899 1.00 0.18 H new ATOM 0 HD13 LEU A 45 8.090 -8.313 5.163 1.00 0.18 H new ATOM 0 HD21 LEU A 45 8.170 -5.449 4.015 1.00 0.14 H new ATOM 0 HD22 LEU A 45 9.363 -6.709 3.620 1.00 0.14 H new ATOM 0 HD23 LEU A 45 8.470 -5.890 2.317 1.00 0.14 H new ATOM 730 N ALA A 46 9.924 -9.596 0.918 1.00 0.14 N ATOM 731 CA ALA A 46 11.324 -9.964 0.760 1.00 0.15 C ATOM 732 C ALA A 46 11.842 -9.532 -0.605 1.00 0.15 C ATOM 733 O ALA A 46 13.020 -9.215 -0.766 1.00 0.20 O ATOM 734 CB ALA A 46 11.489 -11.464 0.938 1.00 0.16 C ATOM 0 H ALA A 46 9.297 -10.388 1.056 1.00 0.14 H new ATOM 0 HA ALA A 46 11.908 -9.451 1.524 1.00 0.15 H new ATOM 0 HB1 ALA A 46 12.539 -11.731 0.818 1.00 0.16 H new ATOM 0 HB2 ALA A 46 11.153 -11.751 1.934 1.00 0.16 H new ATOM 0 HB3 ALA A 46 10.894 -11.987 0.189 1.00 0.16 H new ATOM 740 N GLU A 47 10.946 -9.523 -1.585 1.00 0.13 N ATOM 741 CA GLU A 47 11.294 -9.132 -2.945 1.00 0.15 C ATOM 742 C GLU A 47 11.464 -7.623 -3.032 1.00 0.13 C ATOM 743 O GLU A 47 12.232 -7.118 -3.851 1.00 0.17 O ATOM 744 CB GLU A 47 10.215 -9.591 -3.925 1.00 0.18 C ATOM 745 CG GLU A 47 10.144 -11.099 -4.090 1.00 0.28 C ATOM 746 CD GLU A 47 9.109 -11.524 -5.113 1.00 1.24 C ATOM 747 OE1 GLU A 47 7.910 -11.568 -4.761 1.00 2.19 O ATOM 748 OE2 GLU A 47 9.496 -11.813 -6.265 1.00 1.09 O ATOM 0 H GLU A 47 9.968 -9.784 -1.461 1.00 0.13 H new ATOM 0 HA GLU A 47 12.236 -9.611 -3.211 1.00 0.15 H new ATOM 0 HB2 GLU A 47 9.247 -9.225 -3.583 1.00 0.18 H new ATOM 0 HB3 GLU A 47 10.402 -9.136 -4.898 1.00 0.18 H new ATOM 0 HG2 GLU A 47 11.122 -11.475 -4.390 1.00 0.28 H new ATOM 0 HG3 GLU A 47 9.909 -11.556 -3.129 1.00 0.28 H new ATOM 755 N ALA A 48 10.739 -6.912 -2.177 1.00 0.10 N ATOM 756 CA ALA A 48 10.805 -5.458 -2.147 1.00 0.10 C ATOM 757 C ALA A 48 12.034 -5.003 -1.376 1.00 0.11 C ATOM 758 O ALA A 48 12.682 -4.024 -1.738 1.00 0.12 O ATOM 759 CB ALA A 48 9.540 -4.880 -1.534 1.00 0.11 C ATOM 0 H ALA A 48 10.099 -7.320 -1.496 1.00 0.10 H new ATOM 0 HA ALA A 48 10.885 -5.091 -3.170 1.00 0.10 H new ATOM 0 HB1 ALA A 48 9.607 -3.792 -1.520 1.00 0.11 H new ATOM 0 HB2 ALA A 48 8.677 -5.183 -2.127 1.00 0.11 H new ATOM 0 HB3 ALA A 48 9.428 -5.250 -0.515 1.00 0.11 H new ATOM 765 N LYS A 49 12.339 -5.722 -0.303 1.00 0.12 N ATOM 766 CA LYS A 49 13.502 -5.425 0.514 1.00 0.14 C ATOM 767 C LYS A 49 14.765 -5.745 -0.269 1.00 0.14 C ATOM 768 O LYS A 49 15.774 -5.049 -0.166 1.00 0.17 O ATOM 769 CB LYS A 49 13.455 -6.244 1.801 1.00 0.14 C ATOM 770 CG LYS A 49 12.285 -5.884 2.701 1.00 0.14 C ATOM 771 CD LYS A 49 12.311 -6.680 3.996 1.00 0.16 C ATOM 772 CE LYS A 49 11.727 -8.069 3.805 1.00 0.16 C ATOM 773 NZ LYS A 49 11.665 -8.825 5.086 1.00 0.21 N ATOM 0 H LYS A 49 11.791 -6.519 0.021 1.00 0.12 H new ATOM 0 HA LYS A 49 13.503 -4.367 0.775 1.00 0.14 H new ATOM 0 HB2 LYS A 49 13.397 -7.303 1.548 1.00 0.14 H new ATOM 0 HB3 LYS A 49 14.385 -6.098 2.350 1.00 0.14 H new ATOM 0 HG2 LYS A 49 12.314 -4.818 2.927 1.00 0.14 H new ATOM 0 HG3 LYS A 49 11.349 -6.073 2.175 1.00 0.14 H new ATOM 0 HD2 LYS A 49 13.337 -6.761 4.354 1.00 0.16 H new ATOM 0 HD3 LYS A 49 11.747 -6.149 4.763 1.00 0.16 H new ATOM 0 HE2 LYS A 49 10.725 -7.987 3.383 1.00 0.16 H new ATOM 0 HE3 LYS A 49 12.332 -8.622 3.086 1.00 0.16 H new ATOM 0 HZ1 LYS A 49 11.261 -9.768 4.914 1.00 0.21 H new ATOM 0 HZ2 LYS A 49 12.624 -8.926 5.477 1.00 0.21 H new ATOM 0 HZ3 LYS A 49 11.067 -8.311 5.764 1.00 0.21 H new ATOM 787 N LYS A 50 14.689 -6.817 -1.049 1.00 0.13 N ATOM 788 CA LYS A 50 15.802 -7.243 -1.883 1.00 0.16 C ATOM 789 C LYS A 50 16.012 -6.244 -3.013 1.00 0.16 C ATOM 790 O LYS A 50 17.142 -5.950 -3.403 1.00 0.22 O ATOM 791 CB LYS A 50 15.522 -8.632 -2.459 1.00 0.17 C ATOM 792 CG LYS A 50 16.586 -9.114 -3.433 1.00 0.52 C ATOM 793 CD LYS A 50 16.225 -10.461 -4.037 1.00 0.51 C ATOM 794 CE LYS A 50 17.308 -10.955 -4.980 1.00 1.36 C ATOM 795 NZ LYS A 50 18.609 -11.144 -4.281 1.00 2.10 N ATOM 0 H LYS A 50 13.862 -7.409 -1.120 1.00 0.13 H new ATOM 0 HA LYS A 50 16.706 -7.288 -1.275 1.00 0.16 H new ATOM 0 HB2 LYS A 50 15.441 -9.346 -1.640 1.00 0.17 H new ATOM 0 HB3 LYS A 50 14.557 -8.618 -2.966 1.00 0.17 H new ATOM 0 HG2 LYS A 50 16.710 -8.380 -4.229 1.00 0.52 H new ATOM 0 HG3 LYS A 50 17.543 -9.191 -2.918 1.00 0.52 H new ATOM 0 HD2 LYS A 50 16.074 -11.190 -3.240 1.00 0.51 H new ATOM 0 HD3 LYS A 50 15.281 -10.378 -4.576 1.00 0.51 H new ATOM 0 HE2 LYS A 50 16.996 -11.898 -5.428 1.00 1.36 H new ATOM 0 HE3 LYS A 50 17.434 -10.241 -5.794 1.00 1.36 H new ATOM 0 HZ1 LYS A 50 19.004 -12.073 -4.529 1.00 2.10 H new ATOM 0 HZ2 LYS A 50 19.271 -10.397 -4.573 1.00 2.10 H new ATOM 0 HZ3 LYS A 50 18.461 -11.094 -3.253 1.00 2.10 H new ATOM 809 N LEU A 51 14.902 -5.730 -3.533 1.00 0.14 N ATOM 810 CA LEU A 51 14.931 -4.756 -4.614 1.00 0.15 C ATOM 811 C LEU A 51 15.415 -3.409 -4.101 1.00 0.15 C ATOM 812 O LEU A 51 16.145 -2.692 -4.786 1.00 0.18 O ATOM 813 CB LEU A 51 13.533 -4.614 -5.218 1.00 0.15 C ATOM 814 CG LEU A 51 13.443 -3.749 -6.477 1.00 0.18 C ATOM 815 CD1 LEU A 51 14.404 -4.247 -7.548 1.00 0.23 C ATOM 816 CD2 LEU A 51 12.017 -3.738 -7.003 1.00 0.18 C ATOM 0 H LEU A 51 13.964 -5.976 -3.218 1.00 0.14 H new ATOM 0 HA LEU A 51 15.622 -5.103 -5.383 1.00 0.15 H new ATOM 0 HB2 LEU A 51 13.156 -5.609 -5.454 1.00 0.15 H new ATOM 0 HB3 LEU A 51 12.871 -4.193 -4.461 1.00 0.15 H new ATOM 0 HG LEU A 51 13.729 -2.730 -6.216 1.00 0.18 H new ATOM 0 HD11 LEU A 51 14.321 -3.616 -8.433 1.00 0.23 H new ATOM 0 HD12 LEU A 51 15.425 -4.207 -7.168 1.00 0.23 H new ATOM 0 HD13 LEU A 51 14.155 -5.275 -7.811 1.00 0.23 H new ATOM 0 HD21 LEU A 51 11.964 -3.119 -7.899 1.00 0.18 H new ATOM 0 HD22 LEU A 51 11.711 -4.756 -7.246 1.00 0.18 H new ATOM 0 HD23 LEU A 51 11.351 -3.331 -6.242 1.00 0.18 H new ATOM 828 N ASN A 52 15.000 -3.077 -2.885 1.00 0.15 N ATOM 829 CA ASN A 52 15.388 -1.823 -2.258 1.00 0.18 C ATOM 830 C ASN A 52 16.888 -1.821 -2.008 1.00 0.17 C ATOM 831 O ASN A 52 17.533 -0.773 -2.018 1.00 0.17 O ATOM 832 CB ASN A 52 14.628 -1.633 -0.942 1.00 0.26 C ATOM 833 CG ASN A 52 14.933 -0.304 -0.276 1.00 0.36 C ATOM 834 OD1 ASN A 52 14.292 0.706 -0.563 1.00 0.79 O ATOM 835 ND2 ASN A 52 15.910 -0.301 0.622 1.00 0.21 N ATOM 0 H ASN A 52 14.392 -3.663 -2.312 1.00 0.15 H new ATOM 0 HA ASN A 52 15.137 -0.997 -2.923 1.00 0.18 H new ATOM 0 HB2 ASN A 52 13.557 -1.702 -1.133 1.00 0.26 H new ATOM 0 HB3 ASN A 52 14.883 -2.444 -0.260 1.00 0.26 H new ATOM 0 HD21 ASN A 52 16.156 0.563 1.106 1.00 0.21 H new ATOM 0 HD22 ASN A 52 16.415 -1.163 0.829 1.00 0.21 H new ATOM 842 N ASP A 53 17.435 -3.011 -1.783 1.00 0.18 N ATOM 843 CA ASP A 53 18.862 -3.163 -1.545 1.00 0.20 C ATOM 844 C ASP A 53 19.616 -3.189 -2.870 1.00 0.22 C ATOM 845 O ASP A 53 20.817 -2.924 -2.920 1.00 0.25 O ATOM 846 CB ASP A 53 19.142 -4.443 -0.754 1.00 0.23 C ATOM 847 CG ASP A 53 20.623 -4.662 -0.510 1.00 0.28 C ATOM 848 OD1 ASP A 53 21.142 -4.143 0.500 1.00 0.34 O ATOM 849 OD2 ASP A 53 21.263 -5.351 -1.331 1.00 0.34 O ATOM 0 H ASP A 53 16.909 -3.885 -1.761 1.00 0.18 H new ATOM 0 HA ASP A 53 19.207 -2.312 -0.959 1.00 0.20 H new ATOM 0 HB2 ASP A 53 18.622 -4.396 0.203 1.00 0.23 H new ATOM 0 HB3 ASP A 53 18.736 -5.297 -1.296 1.00 0.23 H new ATOM 854 N ALA A 54 18.896 -3.511 -3.942 1.00 0.22 N ATOM 855 CA ALA A 54 19.486 -3.568 -5.274 1.00 0.26 C ATOM 856 C ALA A 54 19.746 -2.166 -5.808 1.00 0.28 C ATOM 857 O ALA A 54 20.752 -1.919 -6.474 1.00 0.32 O ATOM 858 CB ALA A 54 18.576 -4.332 -6.223 1.00 0.27 C ATOM 0 H ALA A 54 17.902 -3.736 -3.912 1.00 0.22 H new ATOM 0 HA ALA A 54 20.439 -4.092 -5.204 1.00 0.26 H new ATOM 0 HB1 ALA A 54 19.030 -4.366 -7.214 1.00 0.27 H new ATOM 0 HB2 ALA A 54 18.435 -5.348 -5.853 1.00 0.27 H new ATOM 0 HB3 ALA A 54 17.610 -3.831 -6.284 1.00 0.27 H new ATOM 864 N GLN A 55 18.828 -1.253 -5.508 1.00 0.27 N ATOM 865 CA GLN A 55 18.949 0.130 -5.949 1.00 0.31 C ATOM 866 C GLN A 55 19.638 0.971 -4.880 1.00 0.33 C ATOM 867 O GLN A 55 19.780 2.185 -5.024 1.00 0.41 O ATOM 868 CB GLN A 55 17.566 0.709 -6.256 1.00 0.32 C ATOM 869 CG GLN A 55 16.695 -0.210 -7.099 1.00 0.32 C ATOM 870 CD GLN A 55 15.321 0.372 -7.372 1.00 0.36 C ATOM 871 OE1 GLN A 55 14.802 1.142 -6.421 1.00 0.61 O flip ATOM 872 NE2 GLN A 55 14.729 0.127 -8.422 1.00 0.29 N flip ATOM 0 H GLN A 55 17.990 -1.448 -4.960 1.00 0.27 H new ATOM 0 HA GLN A 55 19.553 0.152 -6.856 1.00 0.31 H new ATOM 0 HB2 GLN A 55 17.054 0.921 -5.318 1.00 0.32 H new ATOM 0 HB3 GLN A 55 17.686 1.659 -6.776 1.00 0.32 H new ATOM 0 HG2 GLN A 55 17.195 -0.409 -8.047 1.00 0.32 H new ATOM 0 HG3 GLN A 55 16.585 -1.167 -6.589 1.00 0.32 H new ATOM 0 HE21 GLN A 55 15.164 -0.469 -9.126 1.00 0.29 H new ATOM 0 HE22 GLN A 55 13.803 0.520 -8.589 1.00 0.29 H new ATOM 881 N ALA A 56 20.063 0.312 -3.806 1.00 0.28 N ATOM 882 CA ALA A 56 20.734 0.987 -2.705 1.00 0.31 C ATOM 883 C ALA A 56 22.063 1.590 -3.156 1.00 0.39 C ATOM 884 O ALA A 56 22.802 0.969 -3.920 1.00 0.44 O ATOM 885 CB ALA A 56 20.958 0.016 -1.555 1.00 0.29 C ATOM 0 H ALA A 56 19.953 -0.694 -3.677 1.00 0.28 H new ATOM 0 HA ALA A 56 20.094 1.801 -2.364 1.00 0.31 H new ATOM 0 HB1 ALA A 56 21.461 0.531 -0.736 1.00 0.29 H new ATOM 0 HB2 ALA A 56 19.997 -0.365 -1.208 1.00 0.29 H new ATOM 0 HB3 ALA A 56 21.577 -0.814 -1.895 1.00 0.29 H new ATOM 891 N PRO A 57 22.388 2.811 -2.687 1.00 0.45 N ATOM 892 CA PRO A 57 23.635 3.486 -3.045 1.00 0.54 C ATOM 893 C PRO A 57 24.842 2.852 -2.369 1.00 0.63 C ATOM 894 O PRO A 57 24.754 1.754 -1.822 1.00 0.83 O ATOM 895 CB PRO A 57 23.446 4.925 -2.543 1.00 0.68 C ATOM 896 CG PRO A 57 22.023 5.025 -2.100 1.00 0.61 C ATOM 897 CD PRO A 57 21.575 3.628 -1.779 1.00 0.47 C ATOM 0 HA PRO A 57 23.828 3.424 -4.116 1.00 0.54 H new ATOM 0 HB2 PRO A 57 24.127 5.143 -1.720 1.00 0.68 H new ATOM 0 HB3 PRO A 57 23.660 5.645 -3.333 1.00 0.68 H new ATOM 0 HG2 PRO A 57 21.933 5.671 -1.227 1.00 0.61 H new ATOM 0 HG3 PRO A 57 21.403 5.460 -2.884 1.00 0.61 H new ATOM 0 HD2 PRO A 57 21.756 3.375 -0.734 1.00 0.47 H new ATOM 0 HD3 PRO A 57 20.508 3.494 -1.959 1.00 0.47 H new ATOM 905 N LYS A 58 25.968 3.554 -2.407 1.00 0.75 N ATOM 906 CA LYS A 58 27.196 3.064 -1.800 1.00 0.91 C ATOM 907 C LYS A 58 27.114 3.111 -0.274 1.00 1.37 C ATOM 908 O LYS A 58 26.698 2.096 0.323 1.00 1.85 O ATOM 909 CB LYS A 58 28.388 3.884 -2.299 1.00 1.12 C ATOM 910 CG LYS A 58 28.164 5.388 -2.249 1.00 2.01 C ATOM 911 CD LYS A 58 29.376 6.148 -2.763 1.00 2.90 C ATOM 912 CE LYS A 58 29.160 7.652 -2.699 1.00 3.59 C ATOM 913 NZ LYS A 58 30.342 8.404 -3.205 1.00 4.27 N ATOM 914 OXT LYS A 58 27.465 4.156 0.310 1.00 2.03 O ATOM 0 H LYS A 58 26.054 4.467 -2.854 1.00 0.75 H new ATOM 0 HA LYS A 58 27.333 2.023 -2.094 1.00 0.91 H new ATOM 0 HB2 LYS A 58 29.264 3.637 -1.699 1.00 1.12 H new ATOM 0 HB3 LYS A 58 28.612 3.594 -3.325 1.00 1.12 H new ATOM 0 HG2 LYS A 58 27.290 5.647 -2.847 1.00 2.01 H new ATOM 0 HG3 LYS A 58 27.950 5.691 -1.224 1.00 2.01 H new ATOM 0 HD2 LYS A 58 30.252 5.880 -2.172 1.00 2.90 H new ATOM 0 HD3 LYS A 58 29.582 5.853 -3.792 1.00 2.90 H new ATOM 0 HE2 LYS A 58 28.281 7.918 -3.287 1.00 3.59 H new ATOM 0 HE3 LYS A 58 28.956 7.946 -1.669 1.00 3.59 H new ATOM 0 HZ1 LYS A 58 30.155 9.425 -3.145 1.00 4.27 H new ATOM 0 HZ2 LYS A 58 31.175 8.170 -2.629 1.00 4.27 H new ATOM 0 HZ3 LYS A 58 30.522 8.143 -4.195 1.00 4.27 H new TER 928 LYS A 58 ATOM 929 N VAL B 101 10.542 6.173 2.039 1.00 3.48 N ATOM 930 CA VAL B 101 11.195 7.441 2.456 1.00 2.61 C ATOM 931 C VAL B 101 10.431 8.095 3.601 1.00 2.18 C ATOM 932 O VAL B 101 9.245 8.402 3.474 1.00 2.41 O ATOM 933 CB VAL B 101 11.290 8.432 1.280 1.00 2.67 C ATOM 934 CG1 VAL B 101 12.103 9.656 1.674 1.00 2.50 C ATOM 935 CG2 VAL B 101 11.891 7.756 0.058 1.00 3.29 C ATOM 0 HA VAL B 101 12.202 7.190 2.791 1.00 2.61 H new ATOM 0 HB VAL B 101 10.282 8.761 1.026 1.00 2.67 H new ATOM 0 HG11 VAL B 101 12.158 10.343 0.830 1.00 2.50 H new ATOM 0 HG12 VAL B 101 11.625 10.154 2.517 1.00 2.50 H new ATOM 0 HG13 VAL B 101 13.109 9.348 1.958 1.00 2.50 H new ATOM 0 HG21 VAL B 101 11.950 8.472 -0.762 1.00 3.29 H new ATOM 0 HG22 VAL B 101 12.891 7.395 0.297 1.00 3.29 H new ATOM 0 HG23 VAL B 101 11.263 6.916 -0.239 1.00 3.29 H new ATOM 947 N ASP B 102 11.118 8.306 4.719 1.00 1.82 N ATOM 948 CA ASP B 102 10.504 8.918 5.892 1.00 1.99 C ATOM 949 C ASP B 102 10.367 10.428 5.721 1.00 1.57 C ATOM 950 O ASP B 102 9.549 11.065 6.385 1.00 1.98 O ATOM 951 CB ASP B 102 11.327 8.606 7.142 1.00 2.35 C ATOM 952 CG ASP B 102 10.722 9.203 8.397 1.00 3.09 C ATOM 953 OD1 ASP B 102 11.034 10.372 8.708 1.00 3.65 O ATOM 954 OD2 ASP B 102 9.936 8.503 9.068 1.00 3.25 O ATOM 0 H ASP B 102 12.101 8.062 4.837 1.00 1.82 H new ATOM 0 HA ASP B 102 9.505 8.497 6.005 1.00 1.99 H new ATOM 0 HB2 ASP B 102 11.408 7.525 7.260 1.00 2.35 H new ATOM 0 HB3 ASP B 102 12.339 8.989 7.012 1.00 2.35 H new ATOM 959 N ASN B 103 11.173 10.996 4.828 1.00 1.11 N ATOM 960 CA ASN B 103 11.138 12.432 4.574 1.00 1.29 C ATOM 961 C ASN B 103 9.798 12.851 3.977 1.00 1.11 C ATOM 962 O ASN B 103 9.459 14.034 3.959 1.00 1.40 O ATOM 963 CB ASN B 103 12.277 12.831 3.632 1.00 1.77 C ATOM 964 CG ASN B 103 13.642 12.536 4.220 1.00 2.19 C ATOM 965 OD1 ASN B 103 14.245 13.384 4.879 1.00 2.84 O ATOM 966 ND2 ASN B 103 14.137 11.327 3.987 1.00 2.04 N ATOM 0 H ASN B 103 11.857 10.485 4.270 1.00 1.11 H new ATOM 0 HA ASN B 103 11.264 12.946 5.527 1.00 1.29 H new ATOM 0 HB2 ASN B 103 12.168 12.297 2.688 1.00 1.77 H new ATOM 0 HB3 ASN B 103 12.203 13.895 3.407 1.00 1.77 H new ATOM 0 HD21 ASN B 103 15.051 11.070 4.359 1.00 2.04 H new ATOM 0 HD22 ASN B 103 13.603 10.655 3.436 1.00 2.04 H new ATOM 973 N LYS B 104 9.038 11.873 3.490 1.00 0.91 N ATOM 974 CA LYS B 104 7.736 12.144 2.889 1.00 0.83 C ATOM 975 C LYS B 104 6.611 11.969 3.905 1.00 0.58 C ATOM 976 O LYS B 104 6.054 12.948 4.401 1.00 0.72 O ATOM 977 CB LYS B 104 7.499 11.224 1.689 1.00 0.98 C ATOM 978 CG LYS B 104 8.554 11.354 0.602 1.00 1.29 C ATOM 979 CD LYS B 104 8.120 10.666 -0.685 1.00 1.55 C ATOM 980 CE LYS B 104 7.975 9.164 -0.500 1.00 1.61 C ATOM 981 NZ LYS B 104 7.554 8.488 -1.760 1.00 2.12 N ATOM 0 H LYS B 104 9.301 10.888 3.500 1.00 0.91 H new ATOM 0 HA LYS B 104 7.736 13.180 2.551 1.00 0.83 H new ATOM 0 HB2 LYS B 104 7.471 10.191 2.035 1.00 0.98 H new ATOM 0 HB3 LYS B 104 6.521 11.444 1.262 1.00 0.98 H new ATOM 0 HG2 LYS B 104 8.746 12.409 0.405 1.00 1.29 H new ATOM 0 HG3 LYS B 104 9.491 10.919 0.950 1.00 1.29 H new ATOM 0 HD2 LYS B 104 7.171 11.085 -1.019 1.00 1.55 H new ATOM 0 HD3 LYS B 104 8.850 10.867 -1.469 1.00 1.55 H new ATOM 0 HE2 LYS B 104 8.924 8.746 -0.163 1.00 1.61 H new ATOM 0 HE3 LYS B 104 7.243 8.963 0.282 1.00 1.61 H new ATOM 0 HZ1 LYS B 104 7.466 7.465 -1.593 1.00 2.12 H new ATOM 0 HZ2 LYS B 104 6.636 8.868 -2.068 1.00 2.12 H new ATOM 0 HZ3 LYS B 104 8.265 8.658 -2.500 1.00 2.12 H new ATOM 995 N PHE B 105 6.283 10.717 4.211 1.00 0.46 N ATOM 996 CA PHE B 105 5.220 10.417 5.165 1.00 0.37 C ATOM 997 C PHE B 105 5.789 10.130 6.550 1.00 0.57 C ATOM 998 O PHE B 105 7.002 10.009 6.722 1.00 1.14 O ATOM 999 CB PHE B 105 4.392 9.226 4.678 1.00 0.49 C ATOM 1000 CG PHE B 105 5.205 7.994 4.394 1.00 0.71 C ATOM 1001 CD1 PHE B 105 5.446 7.063 5.392 1.00 0.98 C ATOM 1002 CD2 PHE B 105 5.729 7.771 3.132 1.00 0.86 C ATOM 1003 CE1 PHE B 105 6.195 5.931 5.134 1.00 1.19 C ATOM 1004 CE2 PHE B 105 6.479 6.640 2.869 1.00 1.10 C ATOM 1005 CZ PHE B 105 6.703 5.714 3.868 1.00 1.19 C ATOM 0 H PHE B 105 6.737 9.895 3.813 1.00 0.46 H new ATOM 0 HA PHE B 105 4.575 11.293 5.238 1.00 0.37 H new ATOM 0 HB2 PHE B 105 3.640 8.988 5.430 1.00 0.49 H new ATOM 0 HB3 PHE B 105 3.858 9.514 3.772 1.00 0.49 H new ATOM 0 HD1 PHE B 105 5.044 7.224 6.381 1.00 0.98 H new ATOM 0 HD2 PHE B 105 5.550 8.488 2.345 1.00 0.86 H new ATOM 0 HE1 PHE B 105 6.383 5.216 5.922 1.00 1.19 H new ATOM 0 HE2 PHE B 105 6.889 6.481 1.883 1.00 1.10 H new ATOM 0 HZ PHE B 105 7.274 4.821 3.660 1.00 1.19 H new ATOM 1015 N ASN B 106 4.902 10.022 7.537 1.00 0.51 N ATOM 1016 CA ASN B 106 5.309 9.755 8.912 1.00 0.67 C ATOM 1017 C ASN B 106 4.362 8.757 9.570 1.00 0.67 C ATOM 1018 O ASN B 106 4.737 7.621 9.851 1.00 0.82 O ATOM 1019 CB ASN B 106 5.331 11.053 9.722 1.00 0.81 C ATOM 1020 CG ASN B 106 5.435 12.284 8.844 1.00 0.84 C ATOM 1021 OD1 ASN B 106 6.531 12.740 8.518 1.00 1.17 O ATOM 1022 ND2 ASN B 106 4.286 12.828 8.454 1.00 0.78 N ATOM 0 H ASN B 106 3.895 10.116 7.408 1.00 0.51 H new ATOM 0 HA ASN B 106 6.312 9.328 8.891 1.00 0.67 H new ATOM 0 HB2 ASN B 106 4.425 11.116 10.325 1.00 0.81 H new ATOM 0 HB3 ASN B 106 6.173 11.032 10.413 1.00 0.81 H new ATOM 0 HD21 ASN B 106 4.290 13.657 7.860 1.00 0.78 H new ATOM 0 HD22 ASN B 106 3.401 12.416 8.749 1.00 0.78 H new ATOM 1029 N LYS B 107 3.132 9.197 9.818 1.00 0.62 N ATOM 1030 CA LYS B 107 2.122 8.352 10.437 1.00 0.63 C ATOM 1031 C LYS B 107 0.751 8.607 9.828 1.00 0.54 C ATOM 1032 O LYS B 107 0.146 7.713 9.239 1.00 0.45 O ATOM 1033 CB LYS B 107 2.070 8.613 11.940 1.00 0.79 C ATOM 1034 CG LYS B 107 1.069 7.734 12.668 1.00 0.80 C ATOM 1035 CD LYS B 107 0.985 8.086 14.145 1.00 1.00 C ATOM 1036 CE LYS B 107 0.360 9.456 14.359 1.00 1.07 C ATOM 1037 NZ LYS B 107 0.392 9.865 15.790 1.00 1.78 N ATOM 0 H LYS B 107 2.812 10.140 9.597 1.00 0.62 H new ATOM 0 HA LYS B 107 2.395 7.312 10.257 1.00 0.63 H new ATOM 0 HB2 LYS B 107 3.061 8.451 12.364 1.00 0.79 H new ATOM 0 HB3 LYS B 107 1.817 9.659 12.112 1.00 0.79 H new ATOM 0 HG2 LYS B 107 0.086 7.845 12.210 1.00 0.80 H new ATOM 0 HG3 LYS B 107 1.355 6.688 12.558 1.00 0.80 H new ATOM 0 HD2 LYS B 107 0.396 7.331 14.667 1.00 1.00 H new ATOM 0 HD3 LYS B 107 1.984 8.069 14.581 1.00 1.00 H new ATOM 0 HE2 LYS B 107 0.891 10.195 13.759 1.00 1.07 H new ATOM 0 HE3 LYS B 107 -0.672 9.443 14.009 1.00 1.07 H new ATOM 0 HZ1 LYS B 107 -0.043 10.804 15.893 1.00 1.78 H new ATOM 0 HZ2 LYS B 107 -0.136 9.174 16.360 1.00 1.78 H new ATOM 0 HZ3 LYS B 107 1.378 9.903 16.118 1.00 1.78 H new ATOM 1051 N GLU B 108 0.267 9.836 9.992 1.00 0.61 N ATOM 1052 CA GLU B 108 -1.033 10.242 9.463 1.00 0.62 C ATOM 1053 C GLU B 108 -1.243 9.714 8.048 1.00 0.49 C ATOM 1054 O GLU B 108 -2.338 9.277 7.693 1.00 0.53 O ATOM 1055 CB GLU B 108 -1.148 11.766 9.473 1.00 0.74 C ATOM 1056 CG GLU B 108 -1.170 12.360 10.868 1.00 0.87 C ATOM 1057 CD GLU B 108 -1.251 13.874 10.857 1.00 1.09 C ATOM 1058 OE1 GLU B 108 -2.342 14.408 10.566 1.00 1.16 O ATOM 1059 OE2 GLU B 108 -0.224 14.527 11.140 1.00 1.37 O ATOM 0 H GLU B 108 0.761 10.575 10.492 1.00 0.61 H new ATOM 0 HA GLU B 108 -1.806 9.816 10.102 1.00 0.62 H new ATOM 0 HB2 GLU B 108 -0.310 12.190 8.919 1.00 0.74 H new ATOM 0 HB3 GLU B 108 -2.057 12.058 8.948 1.00 0.74 H new ATOM 0 HG2 GLU B 108 -2.022 11.958 11.416 1.00 0.87 H new ATOM 0 HG3 GLU B 108 -0.272 12.052 11.404 1.00 0.87 H new ATOM 1066 N THR B 109 -0.186 9.757 7.244 1.00 0.39 N ATOM 1067 CA THR B 109 -0.248 9.276 5.871 1.00 0.28 C ATOM 1068 C THR B 109 -0.306 7.752 5.836 1.00 0.25 C ATOM 1069 O THR B 109 -1.068 7.166 5.066 1.00 0.27 O ATOM 1070 CB THR B 109 0.968 9.761 5.056 1.00 0.25 C ATOM 1071 OG1 THR B 109 0.895 11.179 4.866 1.00 0.33 O ATOM 1072 CG2 THR B 109 1.041 9.064 3.704 1.00 0.27 C ATOM 0 H THR B 109 0.725 10.121 7.522 1.00 0.39 H new ATOM 0 HA THR B 109 -1.155 9.681 5.423 1.00 0.28 H new ATOM 0 HB THR B 109 1.870 9.513 5.616 1.00 0.25 H new ATOM 0 HG1 THR B 109 1.800 11.554 4.852 1.00 0.33 H new ATOM 0 HG21 THR B 109 1.909 9.428 3.154 1.00 0.27 H new ATOM 0 HG22 THR B 109 1.131 7.988 3.854 1.00 0.27 H new ATOM 0 HG23 THR B 109 0.136 9.277 3.136 1.00 0.27 H new ATOM 1080 N GLN B 110 0.504 7.121 6.680 1.00 0.30 N ATOM 1081 CA GLN B 110 0.551 5.666 6.756 1.00 0.32 C ATOM 1082 C GLN B 110 -0.810 5.094 7.133 1.00 0.30 C ATOM 1083 O GLN B 110 -1.137 3.963 6.775 1.00 0.30 O ATOM 1084 CB GLN B 110 1.606 5.224 7.770 1.00 0.42 C ATOM 1085 CG GLN B 110 3.030 5.329 7.242 1.00 0.48 C ATOM 1086 CD GLN B 110 4.079 5.116 8.318 1.00 0.85 C ATOM 1087 OE1 GLN B 110 5.190 5.637 8.224 1.00 1.34 O ATOM 1088 NE2 GLN B 110 3.735 4.350 9.346 1.00 1.38 N ATOM 0 H GLN B 110 1.138 7.596 7.322 1.00 0.30 H new ATOM 0 HA GLN B 110 0.821 5.284 5.772 1.00 0.32 H new ATOM 0 HB2 GLN B 110 1.513 5.833 8.669 1.00 0.42 H new ATOM 0 HB3 GLN B 110 1.409 4.192 8.062 1.00 0.42 H new ATOM 0 HG2 GLN B 110 3.174 4.592 6.451 1.00 0.48 H new ATOM 0 HG3 GLN B 110 3.173 6.311 6.792 1.00 0.48 H new ATOM 0 HE21 GLN B 110 2.803 3.937 9.385 1.00 1.38 H new ATOM 0 HE22 GLN B 110 4.403 4.174 10.097 1.00 1.38 H new ATOM 1097 N GLU B 111 -1.604 5.881 7.850 1.00 0.30 N ATOM 1098 CA GLU B 111 -2.930 5.443 8.265 1.00 0.30 C ATOM 1099 C GLU B 111 -3.847 5.351 7.056 1.00 0.28 C ATOM 1100 O GLU B 111 -4.351 4.279 6.723 1.00 0.39 O ATOM 1101 CB GLU B 111 -3.519 6.409 9.295 1.00 0.34 C ATOM 1102 CG GLU B 111 -2.608 6.667 10.481 1.00 0.38 C ATOM 1103 CD GLU B 111 -3.303 7.430 11.591 1.00 1.19 C ATOM 1104 OE1 GLU B 111 -4.177 6.840 12.260 1.00 1.04 O ATOM 1105 OE2 GLU B 111 -2.975 8.618 11.791 1.00 2.25 O ATOM 0 H GLU B 111 -1.353 6.822 8.155 1.00 0.30 H new ATOM 0 HA GLU B 111 -2.842 4.459 8.725 1.00 0.30 H new ATOM 0 HB2 GLU B 111 -3.741 7.357 8.805 1.00 0.34 H new ATOM 0 HB3 GLU B 111 -4.466 6.008 9.656 1.00 0.34 H new ATOM 0 HG2 GLU B 111 -2.245 5.716 10.870 1.00 0.38 H new ATOM 0 HG3 GLU B 111 -1.735 7.229 10.149 1.00 0.38 H new ATOM 1112 N ALA B 112 -4.049 6.489 6.400 1.00 0.20 N ATOM 1113 CA ALA B 112 -4.897 6.555 5.216 1.00 0.17 C ATOM 1114 C ALA B 112 -4.466 5.520 4.182 1.00 0.13 C ATOM 1115 O ALA B 112 -5.281 5.034 3.398 1.00 0.13 O ATOM 1116 CB ALA B 112 -4.847 7.953 4.621 1.00 0.17 C ATOM 0 H ALA B 112 -3.635 7.381 6.670 1.00 0.20 H new ATOM 0 HA ALA B 112 -5.922 6.331 5.510 1.00 0.17 H new ATOM 0 HB1 ALA B 112 -5.483 7.995 3.737 1.00 0.17 H new ATOM 0 HB2 ALA B 112 -5.201 8.675 5.357 1.00 0.17 H new ATOM 0 HB3 ALA B 112 -3.821 8.193 4.342 1.00 0.17 H new ATOM 1122 N SER B 113 -3.177 5.191 4.189 1.00 0.13 N ATOM 1123 CA SER B 113 -2.631 4.208 3.261 1.00 0.11 C ATOM 1124 C SER B 113 -3.245 2.836 3.513 1.00 0.10 C ATOM 1125 O SER B 113 -3.741 2.187 2.592 1.00 0.12 O ATOM 1126 CB SER B 113 -1.109 4.135 3.401 1.00 0.15 C ATOM 1127 OG SER B 113 -0.507 5.383 3.103 1.00 0.92 O ATOM 0 H SER B 113 -2.491 5.592 4.829 1.00 0.13 H new ATOM 0 HA SER B 113 -2.878 4.519 2.246 1.00 0.11 H new ATOM 0 HB2 SER B 113 -0.848 3.836 4.416 1.00 0.15 H new ATOM 0 HB3 SER B 113 -0.716 3.369 2.732 1.00 0.15 H new ATOM 0 HG SER B 113 -0.727 6.029 3.806 1.00 0.92 H new ATOM 1133 N TRP B 114 -3.215 2.400 4.771 1.00 0.10 N ATOM 1134 CA TRP B 114 -3.769 1.103 5.143 1.00 0.10 C ATOM 1135 C TRP B 114 -5.261 1.039 4.827 1.00 0.12 C ATOM 1136 O TRP B 114 -5.733 0.069 4.238 1.00 0.16 O ATOM 1137 CB TRP B 114 -3.537 0.827 6.630 1.00 0.13 C ATOM 1138 CG TRP B 114 -4.012 -0.530 7.063 1.00 0.14 C ATOM 1139 CD1 TRP B 114 -4.890 -0.805 8.071 1.00 0.17 C ATOM 1140 CD2 TRP B 114 -3.640 -1.794 6.500 1.00 0.16 C ATOM 1141 NE1 TRP B 114 -5.092 -2.160 8.165 1.00 0.19 N ATOM 1142 CE2 TRP B 114 -4.336 -2.790 7.213 1.00 0.19 C ATOM 1143 CE3 TRP B 114 -2.788 -2.182 5.462 1.00 0.17 C ATOM 1144 CZ2 TRP B 114 -4.208 -4.144 6.918 1.00 0.22 C ATOM 1145 CZ3 TRP B 114 -2.661 -3.529 5.172 1.00 0.21 C ATOM 1146 CH2 TRP B 114 -3.369 -4.495 5.898 1.00 0.23 C ATOM 0 H TRP B 114 -2.813 2.926 5.547 1.00 0.10 H new ATOM 0 HA TRP B 114 -3.258 0.338 4.558 1.00 0.10 H new ATOM 0 HB2 TRP B 114 -2.473 0.918 6.848 1.00 0.13 H new ATOM 0 HB3 TRP B 114 -4.049 1.588 7.218 1.00 0.13 H new ATOM 0 HD1 TRP B 114 -5.358 -0.065 8.703 1.00 0.17 H new ATOM 0 HE1 TRP B 114 -5.706 -2.622 8.836 1.00 0.19 H new ATOM 0 HE3 TRP B 114 -2.239 -1.444 4.897 1.00 0.17 H new ATOM 0 HZ2 TRP B 114 -4.753 -4.891 7.476 1.00 0.22 H new ATOM 0 HZ3 TRP B 114 -2.005 -3.841 4.373 1.00 0.21 H new ATOM 0 HH2 TRP B 114 -3.249 -5.539 5.647 1.00 0.23 H new ATOM 1157 N GLU B 115 -5.994 2.079 5.222 1.00 0.14 N ATOM 1158 CA GLU B 115 -7.432 2.141 4.977 1.00 0.18 C ATOM 1159 C GLU B 115 -7.756 1.883 3.508 1.00 0.19 C ATOM 1160 O GLU B 115 -8.763 1.254 3.185 1.00 0.33 O ATOM 1161 CB GLU B 115 -7.985 3.505 5.396 1.00 0.22 C ATOM 1162 CG GLU B 115 -8.227 3.632 6.884 1.00 0.31 C ATOM 1163 CD GLU B 115 -6.945 3.731 7.686 1.00 1.33 C ATOM 1164 OE1 GLU B 115 -6.306 2.683 7.914 1.00 2.03 O ATOM 1165 OE2 GLU B 115 -6.580 4.857 8.085 1.00 1.80 O ATOM 0 H GLU B 115 -5.615 2.889 5.713 1.00 0.14 H new ATOM 0 HA GLU B 115 -7.904 1.361 5.575 1.00 0.18 H new ATOM 0 HB2 GLU B 115 -7.287 4.282 5.083 1.00 0.22 H new ATOM 0 HB3 GLU B 115 -8.921 3.685 4.868 1.00 0.22 H new ATOM 0 HG2 GLU B 115 -8.837 4.516 7.073 1.00 0.31 H new ATOM 0 HG3 GLU B 115 -8.799 2.770 7.228 1.00 0.31 H new ATOM 1172 N ILE B 116 -6.898 2.375 2.623 1.00 0.13 N ATOM 1173 CA ILE B 116 -7.090 2.194 1.190 1.00 0.12 C ATOM 1174 C ILE B 116 -6.910 0.730 0.792 1.00 0.10 C ATOM 1175 O ILE B 116 -7.563 0.240 -0.130 1.00 0.12 O ATOM 1176 CB ILE B 116 -6.112 3.079 0.391 1.00 0.10 C ATOM 1177 CG1 ILE B 116 -6.521 4.548 0.514 1.00 0.10 C ATOM 1178 CG2 ILE B 116 -6.064 2.655 -1.072 1.00 0.11 C ATOM 1179 CD1 ILE B 116 -5.436 5.520 0.109 1.00 0.11 C ATOM 0 H ILE B 116 -6.062 2.903 2.873 1.00 0.13 H new ATOM 0 HA ILE B 116 -8.111 2.494 0.953 1.00 0.12 H new ATOM 0 HB ILE B 116 -5.112 2.955 0.806 1.00 0.10 H new ATOM 0 HG12 ILE B 116 -7.402 4.723 -0.104 1.00 0.10 H new ATOM 0 HG13 ILE B 116 -6.810 4.750 1.545 1.00 0.10 H new ATOM 0 HG21 ILE B 116 -5.367 3.295 -1.614 1.00 0.11 H new ATOM 0 HG22 ILE B 116 -5.733 1.619 -1.140 1.00 0.11 H new ATOM 0 HG23 ILE B 116 -7.058 2.748 -1.511 1.00 0.11 H new ATOM 0 HD11 ILE B 116 -5.801 6.541 0.223 1.00 0.11 H new ATOM 0 HD12 ILE B 116 -4.561 5.374 0.743 1.00 0.11 H new ATOM 0 HD13 ILE B 116 -5.162 5.347 -0.932 1.00 0.11 H new ATOM 1191 N PHE B 117 -6.025 0.039 1.501 1.00 0.09 N ATOM 1192 CA PHE B 117 -5.745 -1.367 1.225 1.00 0.09 C ATOM 1193 C PHE B 117 -6.775 -2.279 1.891 1.00 0.11 C ATOM 1194 O PHE B 117 -7.012 -3.397 1.436 1.00 0.15 O ATOM 1195 CB PHE B 117 -4.341 -1.718 1.725 1.00 0.10 C ATOM 1196 CG PHE B 117 -3.796 -3.005 1.171 1.00 0.12 C ATOM 1197 CD1 PHE B 117 -4.117 -4.220 1.754 1.00 0.19 C ATOM 1198 CD2 PHE B 117 -2.956 -2.995 0.068 1.00 0.11 C ATOM 1199 CE1 PHE B 117 -3.610 -5.402 1.249 1.00 0.23 C ATOM 1200 CE2 PHE B 117 -2.445 -4.174 -0.441 1.00 0.13 C ATOM 1201 CZ PHE B 117 -2.773 -5.378 0.150 1.00 0.20 C ATOM 0 H PHE B 117 -5.487 0.430 2.274 1.00 0.09 H new ATOM 0 HA PHE B 117 -5.803 -1.522 0.148 1.00 0.09 H new ATOM 0 HB2 PHE B 117 -3.661 -0.906 1.466 1.00 0.10 H new ATOM 0 HB3 PHE B 117 -4.360 -1.782 2.813 1.00 0.10 H new ATOM 0 HD1 PHE B 117 -4.771 -4.244 2.613 1.00 0.19 H new ATOM 0 HD2 PHE B 117 -2.698 -2.056 -0.399 1.00 0.11 H new ATOM 0 HE1 PHE B 117 -3.868 -6.343 1.712 1.00 0.23 H new ATOM 0 HE2 PHE B 117 -1.790 -4.154 -1.300 1.00 0.13 H new ATOM 0 HZ PHE B 117 -2.375 -6.301 -0.247 1.00 0.20 H new ATOM 1211 N THR B 118 -7.392 -1.791 2.966 1.00 0.12 N ATOM 1212 CA THR B 118 -8.383 -2.571 3.699 1.00 0.16 C ATOM 1213 C THR B 118 -9.696 -2.686 2.932 1.00 0.18 C ATOM 1214 O THR B 118 -10.621 -3.370 3.371 1.00 0.34 O ATOM 1215 CB THR B 118 -8.664 -1.967 5.086 1.00 0.19 C ATOM 1216 OG1 THR B 118 -9.117 -0.615 4.953 1.00 0.26 O ATOM 1217 CG2 THR B 118 -7.415 -2.009 5.950 1.00 0.20 C ATOM 0 H THR B 118 -7.222 -0.860 3.347 1.00 0.12 H new ATOM 0 HA THR B 118 -7.957 -3.567 3.821 1.00 0.16 H new ATOM 0 HB THR B 118 -9.442 -2.559 5.567 1.00 0.19 H new ATOM 0 HG1 THR B 118 -8.995 -0.319 4.027 1.00 0.26 H new ATOM 0 HG21 THR B 118 -7.634 -1.578 6.927 1.00 0.20 H new ATOM 0 HG22 THR B 118 -7.093 -3.043 6.074 1.00 0.20 H new ATOM 0 HG23 THR B 118 -6.621 -1.437 5.470 1.00 0.20 H new ATOM 1225 N LEU B 119 -9.774 -2.016 1.790 1.00 0.14 N ATOM 1226 CA LEU B 119 -10.971 -2.060 0.965 1.00 0.14 C ATOM 1227 C LEU B 119 -10.998 -3.366 0.167 1.00 0.15 C ATOM 1228 O LEU B 119 -10.048 -3.671 -0.553 1.00 0.24 O ATOM 1229 CB LEU B 119 -11.006 -0.841 0.042 1.00 0.16 C ATOM 1230 CG LEU B 119 -11.018 0.506 0.774 1.00 0.26 C ATOM 1231 CD1 LEU B 119 -10.835 1.655 -0.202 1.00 0.81 C ATOM 1232 CD2 LEU B 119 -12.311 0.676 1.558 1.00 1.01 C ATOM 0 H LEU B 119 -9.023 -1.437 1.415 1.00 0.14 H new ATOM 0 HA LEU B 119 -11.858 -2.031 1.597 1.00 0.14 H new ATOM 0 HB2 LEU B 119 -10.139 -0.875 -0.618 1.00 0.16 H new ATOM 0 HB3 LEU B 119 -11.891 -0.905 -0.591 1.00 0.16 H new ATOM 0 HG LEU B 119 -10.183 0.518 1.474 1.00 0.26 H new ATOM 0 HD11 LEU B 119 -10.847 2.600 0.342 1.00 0.81 H new ATOM 0 HD12 LEU B 119 -9.881 1.546 -0.718 1.00 0.81 H new ATOM 0 HD13 LEU B 119 -11.645 1.646 -0.931 1.00 0.81 H new ATOM 0 HD21 LEU B 119 -12.302 1.638 2.071 1.00 1.01 H new ATOM 0 HD22 LEU B 119 -13.159 0.638 0.874 1.00 1.01 H new ATOM 0 HD23 LEU B 119 -12.400 -0.126 2.291 1.00 1.01 H new ATOM 1244 N PRO B 120 -12.086 -4.155 0.278 1.00 0.21 N ATOM 1245 CA PRO B 120 -12.196 -5.447 -0.404 1.00 0.26 C ATOM 1246 C PRO B 120 -12.612 -5.338 -1.867 1.00 0.26 C ATOM 1247 O PRO B 120 -12.135 -6.096 -2.710 1.00 0.38 O ATOM 1248 CB PRO B 120 -13.273 -6.161 0.406 1.00 0.36 C ATOM 1249 CG PRO B 120 -14.169 -5.070 0.887 1.00 0.38 C ATOM 1250 CD PRO B 120 -13.304 -3.843 1.055 1.00 0.35 C ATOM 0 HA PRO B 120 -11.236 -5.962 -0.444 1.00 0.26 H new ATOM 0 HB2 PRO B 120 -13.818 -6.880 -0.206 1.00 0.36 H new ATOM 0 HB3 PRO B 120 -12.840 -6.715 1.239 1.00 0.36 H new ATOM 0 HG2 PRO B 120 -14.971 -4.884 0.172 1.00 0.38 H new ATOM 0 HG3 PRO B 120 -14.640 -5.344 1.831 1.00 0.38 H new ATOM 0 HD2 PRO B 120 -13.801 -2.950 0.677 1.00 0.35 H new ATOM 0 HD3 PRO B 120 -13.072 -3.659 2.104 1.00 0.35 H new ATOM 1258 N ASN B 121 -13.501 -4.400 -2.167 1.00 0.22 N ATOM 1259 CA ASN B 121 -13.978 -4.220 -3.533 1.00 0.23 C ATOM 1260 C ASN B 121 -12.868 -3.703 -4.440 1.00 0.19 C ATOM 1261 O ASN B 121 -12.914 -3.891 -5.656 1.00 0.22 O ATOM 1262 CB ASN B 121 -15.174 -3.268 -3.567 1.00 0.28 C ATOM 1263 CG ASN B 121 -16.429 -3.904 -3.000 1.00 0.50 C ATOM 1264 OD1 ASN B 121 -17.184 -4.556 -3.720 1.00 0.98 O ATOM 1265 ND2 ASN B 121 -16.656 -3.719 -1.706 1.00 0.50 N ATOM 0 H ASN B 121 -13.905 -3.755 -1.488 1.00 0.22 H new ATOM 0 HA ASN B 121 -14.296 -5.194 -3.904 1.00 0.23 H new ATOM 0 HB2 ASN B 121 -14.936 -2.368 -2.999 1.00 0.28 H new ATOM 0 HB3 ASN B 121 -15.359 -2.957 -4.595 1.00 0.28 H new ATOM 0 HD21 ASN B 121 -17.484 -4.125 -1.270 1.00 0.50 H new ATOM 0 HD22 ASN B 121 -16.002 -3.171 -1.147 1.00 0.50 H new ATOM 1272 N LEU B 122 -11.872 -3.051 -3.848 1.00 0.15 N ATOM 1273 CA LEU B 122 -10.758 -2.516 -4.618 1.00 0.13 C ATOM 1274 C LEU B 122 -9.687 -3.570 -4.850 1.00 0.16 C ATOM 1275 O LEU B 122 -9.233 -4.232 -3.917 1.00 0.24 O ATOM 1276 CB LEU B 122 -10.159 -1.302 -3.915 1.00 0.12 C ATOM 1277 CG LEU B 122 -10.661 0.047 -4.430 1.00 0.14 C ATOM 1278 CD1 LEU B 122 -12.173 0.028 -4.587 1.00 0.14 C ATOM 1279 CD2 LEU B 122 -10.236 1.160 -3.491 1.00 0.19 C ATOM 0 H LEU B 122 -11.815 -2.882 -2.844 1.00 0.15 H new ATOM 0 HA LEU B 122 -11.144 -2.209 -5.590 1.00 0.13 H new ATOM 0 HB2 LEU B 122 -10.377 -1.372 -2.849 1.00 0.12 H new ATOM 0 HB3 LEU B 122 -9.075 -1.336 -4.022 1.00 0.12 H new ATOM 0 HG LEU B 122 -10.218 0.232 -5.409 1.00 0.14 H new ATOM 0 HD11 LEU B 122 -12.513 0.996 -4.954 1.00 0.14 H new ATOM 0 HD12 LEU B 122 -12.455 -0.749 -5.297 1.00 0.14 H new ATOM 0 HD13 LEU B 122 -12.636 -0.177 -3.622 1.00 0.14 H new ATOM 0 HD21 LEU B 122 -10.600 2.115 -3.870 1.00 0.19 H new ATOM 0 HD22 LEU B 122 -10.654 0.980 -2.500 1.00 0.19 H new ATOM 0 HD23 LEU B 122 -9.148 1.186 -3.427 1.00 0.19 H new ATOM 1291 N ASN B 123 -9.289 -3.714 -6.106 1.00 0.16 N ATOM 1292 CA ASN B 123 -8.266 -4.680 -6.481 1.00 0.20 C ATOM 1293 C ASN B 123 -6.885 -4.159 -6.112 1.00 0.19 C ATOM 1294 O ASN B 123 -6.757 -3.157 -5.409 1.00 0.30 O ATOM 1295 CB ASN B 123 -8.316 -4.962 -7.981 1.00 0.28 C ATOM 1296 CG ASN B 123 -9.729 -4.987 -8.521 1.00 0.91 C ATOM 1297 OD1 ASN B 123 -10.665 -5.395 -7.834 1.00 1.73 O ATOM 1298 ND2 ASN B 123 -9.888 -4.543 -9.760 1.00 1.39 N ATOM 0 H ASN B 123 -9.661 -3.172 -6.886 1.00 0.16 H new ATOM 0 HA ASN B 123 -8.460 -5.605 -5.938 1.00 0.20 H new ATOM 0 HB2 ASN B 123 -7.742 -4.201 -8.509 1.00 0.28 H new ATOM 0 HB3 ASN B 123 -7.837 -5.920 -8.183 1.00 0.28 H new ATOM 0 HD21 ASN B 123 -10.817 -4.530 -10.182 1.00 1.39 H new ATOM 0 HD22 ASN B 123 -9.082 -4.214 -10.291 1.00 1.39 H new ATOM 1305 N GLY B 124 -5.854 -4.843 -6.590 1.00 0.14 N ATOM 1306 CA GLY B 124 -4.497 -4.423 -6.307 1.00 0.11 C ATOM 1307 C GLY B 124 -4.136 -3.149 -7.047 1.00 0.11 C ATOM 1308 O GLY B 124 -3.456 -2.279 -6.506 1.00 0.17 O ATOM 0 H GLY B 124 -5.933 -5.680 -7.168 1.00 0.14 H new ATOM 0 HA2 GLY B 124 -4.381 -4.266 -5.235 1.00 0.11 H new ATOM 0 HA3 GLY B 124 -3.805 -5.216 -6.589 1.00 0.11 H new ATOM 1312 N ARG B 125 -4.598 -3.043 -8.290 1.00 0.13 N ATOM 1313 CA ARG B 125 -4.329 -1.872 -9.117 1.00 0.14 C ATOM 1314 C ARG B 125 -4.979 -0.620 -8.532 1.00 0.12 C ATOM 1315 O ARG B 125 -4.324 0.406 -8.357 1.00 0.21 O ATOM 1316 CB ARG B 125 -4.847 -2.099 -10.538 1.00 0.20 C ATOM 1317 CG ARG B 125 -4.334 -3.377 -11.181 1.00 0.58 C ATOM 1318 CD ARG B 125 -4.861 -3.534 -12.601 1.00 0.90 C ATOM 1319 NE ARG B 125 -4.417 -4.781 -13.218 1.00 1.75 N ATOM 1320 CZ ARG B 125 -4.369 -4.976 -14.534 1.00 2.18 C ATOM 1321 NH1 ARG B 125 -4.726 -4.006 -15.366 1.00 1.82 N ATOM 1322 NH2 ARG B 125 -3.962 -6.141 -15.017 1.00 3.25 N ATOM 0 H ARG B 125 -5.163 -3.758 -8.748 1.00 0.13 H new ATOM 0 HA ARG B 125 -3.250 -1.722 -9.141 1.00 0.14 H new ATOM 0 HB2 ARG B 125 -5.936 -2.126 -10.518 1.00 0.20 H new ATOM 0 HB3 ARG B 125 -4.560 -1.250 -11.159 1.00 0.20 H new ATOM 0 HG2 ARG B 125 -3.244 -3.367 -11.195 1.00 0.58 H new ATOM 0 HG3 ARG B 125 -4.638 -4.235 -10.581 1.00 0.58 H new ATOM 0 HD2 ARG B 125 -5.951 -3.505 -12.588 1.00 0.90 H new ATOM 0 HD3 ARG B 125 -4.527 -2.692 -13.206 1.00 0.90 H new ATOM 0 HE ARG B 125 -4.128 -5.545 -12.607 1.00 1.75 H new ATOM 0 HH11 ARG B 125 -5.038 -3.108 -14.998 1.00 1.82 H new ATOM 0 HH12 ARG B 125 -4.688 -4.159 -16.374 1.00 1.82 H new ATOM 0 HH21 ARG B 125 -3.685 -6.888 -14.380 1.00 3.25 H new ATOM 0 HH22 ARG B 125 -3.925 -6.290 -16.025 1.00 3.25 H new ATOM 1336 N GLN B 126 -6.273 -0.716 -8.234 1.00 0.12 N ATOM 1337 CA GLN B 126 -7.020 0.409 -7.682 1.00 0.11 C ATOM 1338 C GLN B 126 -6.367 0.949 -6.410 1.00 0.09 C ATOM 1339 O GLN B 126 -6.071 2.139 -6.316 1.00 0.11 O ATOM 1340 CB GLN B 126 -8.465 -0.008 -7.400 1.00 0.13 C ATOM 1341 CG GLN B 126 -9.113 -0.746 -8.561 1.00 0.26 C ATOM 1342 CD GLN B 126 -10.598 -0.972 -8.359 1.00 0.19 C ATOM 1343 OE1 GLN B 126 -11.013 -1.973 -7.777 1.00 0.77 O ATOM 1344 NE2 GLN B 126 -11.407 -0.044 -8.852 1.00 0.64 N ATOM 0 H GLN B 126 -6.826 -1.563 -8.366 1.00 0.12 H new ATOM 0 HA GLN B 126 -7.014 1.209 -8.422 1.00 0.11 H new ATOM 0 HB2 GLN B 126 -8.487 -0.645 -6.516 1.00 0.13 H new ATOM 0 HB3 GLN B 126 -9.054 0.879 -7.168 1.00 0.13 H new ATOM 0 HG2 GLN B 126 -8.958 -0.178 -9.478 1.00 0.26 H new ATOM 0 HG3 GLN B 126 -8.619 -1.708 -8.695 1.00 0.26 H new ATOM 0 HE21 GLN B 126 -11.019 0.771 -9.328 1.00 0.64 H new ATOM 0 HE22 GLN B 126 -12.417 -0.145 -8.756 1.00 0.64 H new ATOM 1353 N VAL B 127 -6.141 0.071 -5.434 1.00 0.09 N ATOM 1354 CA VAL B 127 -5.527 0.478 -4.172 1.00 0.08 C ATOM 1355 C VAL B 127 -4.125 1.045 -4.392 1.00 0.08 C ATOM 1356 O VAL B 127 -3.806 2.124 -3.899 1.00 0.09 O ATOM 1357 CB VAL B 127 -5.461 -0.690 -3.161 1.00 0.09 C ATOM 1358 CG1 VAL B 127 -6.859 -1.179 -2.819 1.00 0.10 C ATOM 1359 CG2 VAL B 127 -4.609 -1.831 -3.697 1.00 0.10 C ATOM 0 H VAL B 127 -6.372 -0.921 -5.492 1.00 0.09 H new ATOM 0 HA VAL B 127 -6.163 1.259 -3.755 1.00 0.08 H new ATOM 0 HB VAL B 127 -4.991 -0.321 -2.249 1.00 0.09 H new ATOM 0 HG11 VAL B 127 -6.793 -2.001 -2.106 1.00 0.10 H new ATOM 0 HG12 VAL B 127 -7.432 -0.363 -2.379 1.00 0.10 H new ATOM 0 HG13 VAL B 127 -7.356 -1.524 -3.726 1.00 0.10 H new ATOM 0 HG21 VAL B 127 -4.580 -2.638 -2.965 1.00 0.10 H new ATOM 0 HG22 VAL B 127 -5.039 -2.200 -4.628 1.00 0.10 H new ATOM 0 HG23 VAL B 127 -3.596 -1.473 -3.882 1.00 0.10 H new ATOM 1369 N ALA B 128 -3.297 0.323 -5.146 1.00 0.09 N ATOM 1370 CA ALA B 128 -1.932 0.764 -5.422 1.00 0.10 C ATOM 1371 C ALA B 128 -1.925 2.124 -6.110 1.00 0.10 C ATOM 1372 O ALA B 128 -0.894 2.795 -6.171 1.00 0.13 O ATOM 1373 CB ALA B 128 -1.202 -0.266 -6.272 1.00 0.10 C ATOM 0 H ALA B 128 -3.548 -0.568 -5.575 1.00 0.09 H new ATOM 0 HA ALA B 128 -1.410 0.864 -4.470 1.00 0.10 H new ATOM 0 HB1 ALA B 128 -0.187 0.078 -6.468 1.00 0.10 H new ATOM 0 HB2 ALA B 128 -1.166 -1.217 -5.741 1.00 0.10 H new ATOM 0 HB3 ALA B 128 -1.729 -0.398 -7.217 1.00 0.10 H new ATOM 1379 N ALA B 129 -3.081 2.525 -6.626 1.00 0.08 N ATOM 1380 CA ALA B 129 -3.210 3.810 -7.298 1.00 0.09 C ATOM 1381 C ALA B 129 -3.513 4.907 -6.285 1.00 0.09 C ATOM 1382 O ALA B 129 -3.086 6.050 -6.442 1.00 0.12 O ATOM 1383 CB ALA B 129 -4.295 3.749 -8.360 1.00 0.10 C ATOM 0 H ALA B 129 -3.941 1.978 -6.591 1.00 0.08 H new ATOM 0 HA ALA B 129 -2.265 4.043 -7.788 1.00 0.09 H new ATOM 0 HB1 ALA B 129 -4.377 4.718 -8.852 1.00 0.10 H new ATOM 0 HB2 ALA B 129 -4.040 2.988 -9.098 1.00 0.10 H new ATOM 0 HB3 ALA B 129 -5.247 3.497 -7.893 1.00 0.10 H new ATOM 1389 N PHE B 130 -4.256 4.542 -5.245 1.00 0.08 N ATOM 1390 CA PHE B 130 -4.616 5.481 -4.191 1.00 0.08 C ATOM 1391 C PHE B 130 -3.467 5.640 -3.196 1.00 0.09 C ATOM 1392 O PHE B 130 -3.363 6.659 -2.512 1.00 0.14 O ATOM 1393 CB PHE B 130 -5.881 5.011 -3.470 1.00 0.09 C ATOM 1394 CG PHE B 130 -7.145 5.210 -4.265 1.00 0.09 C ATOM 1395 CD1 PHE B 130 -7.628 6.485 -4.512 1.00 0.11 C ATOM 1396 CD2 PHE B 130 -7.850 4.125 -4.764 1.00 0.14 C ATOM 1397 CE1 PHE B 130 -8.787 6.676 -5.239 1.00 0.13 C ATOM 1398 CE2 PHE B 130 -9.010 4.309 -5.493 1.00 0.17 C ATOM 1399 CZ PHE B 130 -9.477 5.567 -5.737 1.00 0.16 C ATOM 0 H PHE B 130 -4.621 3.599 -5.110 1.00 0.08 H new ATOM 0 HA PHE B 130 -4.813 6.451 -4.647 1.00 0.08 H new ATOM 0 HB2 PHE B 130 -5.778 3.953 -3.228 1.00 0.09 H new ATOM 0 HB3 PHE B 130 -5.969 5.547 -2.525 1.00 0.09 H new ATOM 0 HD1 PHE B 130 -7.091 7.341 -4.131 1.00 0.11 H new ATOM 0 HD2 PHE B 130 -7.488 3.124 -4.581 1.00 0.14 H new ATOM 0 HE1 PHE B 130 -9.157 7.674 -5.421 1.00 0.13 H new ATOM 0 HE2 PHE B 130 -9.549 3.453 -5.871 1.00 0.17 H new ATOM 0 HZ PHE B 130 -10.379 5.706 -6.314 1.00 0.16 H new ATOM 1409 N ILE B 131 -2.604 4.625 -3.119 1.00 0.08 N ATOM 1410 CA ILE B 131 -1.455 4.662 -2.217 1.00 0.09 C ATOM 1411 C ILE B 131 -0.367 5.547 -2.803 1.00 0.10 C ATOM 1412 O ILE B 131 0.240 6.357 -2.103 1.00 0.14 O ATOM 1413 CB ILE B 131 -0.866 3.257 -1.974 1.00 0.10 C ATOM 1414 CG1 ILE B 131 -1.950 2.292 -1.485 1.00 0.11 C ATOM 1415 CG2 ILE B 131 0.281 3.329 -0.971 1.00 0.12 C ATOM 1416 CD1 ILE B 131 -2.424 2.565 -0.075 1.00 0.13 C ATOM 0 H ILE B 131 -2.680 3.770 -3.670 1.00 0.08 H new ATOM 0 HA ILE B 131 -1.806 5.060 -1.265 1.00 0.09 H new ATOM 0 HB ILE B 131 -0.476 2.879 -2.919 1.00 0.10 H new ATOM 0 HG12 ILE B 131 -2.803 2.347 -2.161 1.00 0.11 H new ATOM 0 HG13 ILE B 131 -1.566 1.273 -1.538 1.00 0.11 H new ATOM 0 HG21 ILE B 131 0.686 2.330 -0.810 1.00 0.12 H new ATOM 0 HG22 ILE B 131 1.064 3.980 -1.360 1.00 0.12 H new ATOM 0 HG23 ILE B 131 -0.087 3.728 -0.026 1.00 0.12 H new ATOM 0 HD11 ILE B 131 -3.191 1.840 0.198 1.00 0.13 H new ATOM 0 HD12 ILE B 131 -1.584 2.481 0.614 1.00 0.13 H new ATOM 0 HD13 ILE B 131 -2.840 3.571 -0.019 1.00 0.13 H new ATOM 1428 N SER B 132 -0.131 5.376 -4.100 1.00 0.11 N ATOM 1429 CA SER B 132 0.877 6.151 -4.810 1.00 0.13 C ATOM 1430 C SER B 132 0.612 7.644 -4.666 1.00 0.15 C ATOM 1431 O SER B 132 1.490 8.406 -4.260 1.00 0.21 O ATOM 1432 CB SER B 132 0.885 5.768 -6.290 1.00 0.17 C ATOM 1433 OG SER B 132 1.926 6.433 -6.985 1.00 0.63 O ATOM 0 H SER B 132 -0.629 4.703 -4.683 1.00 0.11 H new ATOM 0 HA SER B 132 1.850 5.928 -4.374 1.00 0.13 H new ATOM 0 HB2 SER B 132 1.009 4.690 -6.389 1.00 0.17 H new ATOM 0 HB3 SER B 132 -0.075 6.021 -6.739 1.00 0.17 H new ATOM 0 HG SER B 132 1.910 6.169 -7.929 1.00 0.63 H new ATOM 1439 N SER B 133 -0.605 8.054 -5.008 1.00 0.15 N ATOM 1440 CA SER B 133 -1.000 9.456 -4.920 1.00 0.19 C ATOM 1441 C SER B 133 -0.790 9.994 -3.509 1.00 0.18 C ATOM 1442 O SER B 133 -0.417 11.152 -3.325 1.00 0.26 O ATOM 1443 CB SER B 133 -2.468 9.617 -5.316 1.00 0.23 C ATOM 1444 OG SER B 133 -2.797 10.982 -5.507 1.00 0.74 O ATOM 0 H SER B 133 -1.338 7.433 -5.350 1.00 0.15 H new ATOM 0 HA SER B 133 -0.375 10.026 -5.607 1.00 0.19 H new ATOM 0 HB2 SER B 133 -2.664 9.061 -6.233 1.00 0.23 H new ATOM 0 HB3 SER B 133 -3.106 9.191 -4.542 1.00 0.23 H new ATOM 0 HG SER B 133 -3.550 11.053 -6.130 1.00 0.74 H new ATOM 1450 N LEU B 134 -1.037 9.145 -2.518 1.00 0.13 N ATOM 1451 CA LEU B 134 -0.881 9.531 -1.120 1.00 0.13 C ATOM 1452 C LEU B 134 0.565 9.896 -0.809 1.00 0.15 C ATOM 1453 O LEU B 134 0.848 10.978 -0.295 1.00 0.21 O ATOM 1454 CB LEU B 134 -1.334 8.392 -0.206 1.00 0.14 C ATOM 1455 CG LEU B 134 -2.322 8.789 0.889 1.00 0.17 C ATOM 1456 CD1 LEU B 134 -2.626 7.600 1.785 1.00 0.22 C ATOM 1457 CD2 LEU B 134 -1.773 9.949 1.705 1.00 0.20 C ATOM 0 H LEU B 134 -1.347 8.183 -2.657 1.00 0.13 H new ATOM 0 HA LEU B 134 -1.503 10.408 -0.942 1.00 0.13 H new ATOM 0 HB2 LEU B 134 -1.790 7.615 -0.820 1.00 0.14 H new ATOM 0 HB3 LEU B 134 -0.454 7.952 0.263 1.00 0.14 H new ATOM 0 HG LEU B 134 -3.251 9.111 0.418 1.00 0.17 H new ATOM 0 HD11 LEU B 134 -3.331 7.899 2.560 1.00 0.22 H new ATOM 0 HD12 LEU B 134 -3.061 6.797 1.189 1.00 0.22 H new ATOM 0 HD13 LEU B 134 -1.704 7.249 2.249 1.00 0.22 H new ATOM 0 HD21 LEU B 134 -2.489 10.219 2.481 1.00 0.20 H new ATOM 0 HD22 LEU B 134 -0.831 9.655 2.168 1.00 0.20 H new ATOM 0 HD23 LEU B 134 -1.605 10.806 1.052 1.00 0.20 H new ATOM 1469 N LEU B 135 1.472 8.983 -1.126 1.00 0.17 N ATOM 1470 CA LEU B 135 2.895 9.191 -0.881 1.00 0.22 C ATOM 1471 C LEU B 135 3.448 10.277 -1.798 1.00 0.24 C ATOM 1472 O LEU B 135 4.486 10.875 -1.513 1.00 0.31 O ATOM 1473 CB LEU B 135 3.655 7.878 -1.095 1.00 0.26 C ATOM 1474 CG LEU B 135 3.531 6.827 0.024 1.00 0.31 C ATOM 1475 CD1 LEU B 135 2.232 6.980 0.807 1.00 0.67 C ATOM 1476 CD2 LEU B 135 3.619 5.430 -0.567 1.00 0.65 C ATOM 0 H LEU B 135 1.247 8.086 -1.556 1.00 0.17 H new ATOM 0 HA LEU B 135 3.028 9.517 0.151 1.00 0.22 H new ATOM 0 HB2 LEU B 135 3.307 7.429 -2.026 1.00 0.26 H new ATOM 0 HB3 LEU B 135 4.711 8.112 -1.229 1.00 0.26 H new ATOM 0 HG LEU B 135 4.355 6.985 0.719 1.00 0.31 H new ATOM 0 HD11 LEU B 135 2.185 6.219 1.586 1.00 0.67 H new ATOM 0 HD12 LEU B 135 2.197 7.969 1.263 1.00 0.67 H new ATOM 0 HD13 LEU B 135 1.384 6.861 0.132 1.00 0.67 H new ATOM 0 HD21 LEU B 135 3.531 4.692 0.230 1.00 0.65 H new ATOM 0 HD22 LEU B 135 2.812 5.287 -1.285 1.00 0.65 H new ATOM 0 HD23 LEU B 135 4.578 5.308 -1.070 1.00 0.65 H new ATOM 1488 N ASP B 136 2.745 10.525 -2.898 1.00 0.22 N ATOM 1489 CA ASP B 136 3.157 11.539 -3.862 1.00 0.26 C ATOM 1490 C ASP B 136 2.557 12.899 -3.508 1.00 0.25 C ATOM 1491 O ASP B 136 2.967 13.928 -4.044 1.00 0.29 O ATOM 1492 CB ASP B 136 2.730 11.131 -5.274 1.00 0.29 C ATOM 1493 CG ASP B 136 3.189 12.120 -6.327 1.00 0.37 C ATOM 1494 OD1 ASP B 136 4.324 11.971 -6.827 1.00 0.47 O ATOM 1495 OD2 ASP B 136 2.414 13.045 -6.650 1.00 0.40 O ATOM 0 H ASP B 136 1.885 10.036 -3.145 1.00 0.22 H new ATOM 0 HA ASP B 136 4.243 11.621 -3.828 1.00 0.26 H new ATOM 0 HB2 ASP B 136 3.137 10.146 -5.503 1.00 0.29 H new ATOM 0 HB3 ASP B 136 1.644 11.044 -5.311 1.00 0.29 H new ATOM 1500 N ASP B 137 1.586 12.891 -2.600 1.00 0.24 N ATOM 1501 CA ASP B 137 0.925 14.118 -2.169 1.00 0.27 C ATOM 1502 C ASP B 137 0.108 13.873 -0.900 1.00 0.22 C ATOM 1503 O ASP B 137 -1.117 13.757 -0.955 1.00 0.24 O ATOM 1504 CB ASP B 137 0.019 14.659 -3.279 1.00 0.38 C ATOM 1505 CG ASP B 137 -0.597 15.998 -2.924 1.00 1.19 C ATOM 1506 OD1 ASP B 137 0.033 17.037 -3.212 1.00 1.42 O ATOM 1507 OD2 ASP B 137 -1.711 16.008 -2.359 1.00 2.13 O ATOM 0 H ASP B 137 1.239 12.046 -2.147 1.00 0.24 H new ATOM 0 HA ASP B 137 1.694 14.859 -1.951 1.00 0.27 H new ATOM 0 HB2 ASP B 137 0.596 14.760 -4.198 1.00 0.38 H new ATOM 0 HB3 ASP B 137 -0.775 13.939 -3.479 1.00 0.38 H new ATOM 1512 N PRO B 138 0.780 13.786 0.263 1.00 0.19 N ATOM 1513 CA PRO B 138 0.113 13.551 1.551 1.00 0.21 C ATOM 1514 C PRO B 138 -0.915 14.627 1.884 1.00 0.22 C ATOM 1515 O PRO B 138 -1.669 14.499 2.848 1.00 0.31 O ATOM 1516 CB PRO B 138 1.260 13.581 2.567 1.00 0.24 C ATOM 1517 CG PRO B 138 2.490 13.310 1.771 1.00 0.25 C ATOM 1518 CD PRO B 138 2.241 13.904 0.415 1.00 0.23 C ATOM 0 HA PRO B 138 -0.446 12.615 1.546 1.00 0.21 H new ATOM 0 HB2 PRO B 138 1.319 14.548 3.067 1.00 0.24 H new ATOM 0 HB3 PRO B 138 1.119 12.829 3.343 1.00 0.24 H new ATOM 0 HG2 PRO B 138 3.366 13.759 2.240 1.00 0.25 H new ATOM 0 HG3 PRO B 138 2.681 12.239 1.699 1.00 0.25 H new ATOM 0 HD2 PRO B 138 2.569 14.942 0.363 1.00 0.23 H new ATOM 0 HD3 PRO B 138 2.773 13.362 -0.367 1.00 0.23 H new ATOM 1526 N SER B 139 -0.942 15.689 1.083 1.00 0.20 N ATOM 1527 CA SER B 139 -1.880 16.783 1.299 1.00 0.22 C ATOM 1528 C SER B 139 -3.312 16.329 1.037 1.00 0.19 C ATOM 1529 O SER B 139 -4.222 16.643 1.803 1.00 0.19 O ATOM 1530 CB SER B 139 -1.531 17.967 0.395 1.00 0.28 C ATOM 1531 OG SER B 139 -2.429 19.045 0.594 1.00 1.15 O ATOM 0 H SER B 139 -0.325 15.814 0.280 1.00 0.20 H new ATOM 0 HA SER B 139 -1.803 17.097 2.340 1.00 0.22 H new ATOM 0 HB2 SER B 139 -0.512 18.296 0.599 1.00 0.28 H new ATOM 0 HB3 SER B 139 -1.561 17.653 -0.648 1.00 0.28 H new ATOM 0 HG SER B 139 -2.183 19.789 0.005 1.00 1.15 H new ATOM 1537 N GLN B 140 -3.504 15.587 -0.051 1.00 0.18 N ATOM 1538 CA GLN B 140 -4.827 15.088 -0.414 1.00 0.17 C ATOM 1539 C GLN B 140 -5.080 13.720 0.199 1.00 0.15 C ATOM 1540 O GLN B 140 -5.903 12.959 -0.296 1.00 0.14 O ATOM 1541 CB GLN B 140 -4.969 14.986 -1.932 1.00 0.21 C ATOM 1542 CG GLN B 140 -4.876 16.318 -2.653 1.00 0.26 C ATOM 1543 CD GLN B 140 -5.851 17.347 -2.112 1.00 1.09 C ATOM 1544 OE1 GLN B 140 -6.981 17.460 -2.589 1.00 1.74 O ATOM 1545 NE2 GLN B 140 -5.418 18.102 -1.110 1.00 1.37 N ATOM 0 H GLN B 140 -2.761 15.318 -0.696 1.00 0.18 H new ATOM 0 HA GLN B 140 -5.560 15.796 -0.027 1.00 0.17 H new ATOM 0 HB2 GLN B 140 -4.194 14.323 -2.315 1.00 0.21 H new ATOM 0 HB3 GLN B 140 -5.928 14.524 -2.166 1.00 0.21 H new ATOM 0 HG2 GLN B 140 -3.861 16.704 -2.564 1.00 0.26 H new ATOM 0 HG3 GLN B 140 -5.067 16.166 -3.715 1.00 0.26 H new ATOM 0 HE21 GLN B 140 -4.474 17.974 -0.746 1.00 1.37 H new ATOM 0 HE22 GLN B 140 -6.029 18.810 -0.704 1.00 1.37 H new ATOM 1554 N SER B 141 -4.369 13.415 1.274 1.00 0.15 N ATOM 1555 CA SER B 141 -4.509 12.128 1.950 1.00 0.13 C ATOM 1556 C SER B 141 -5.973 11.780 2.202 1.00 0.13 C ATOM 1557 O SER B 141 -6.472 10.774 1.699 1.00 0.18 O ATOM 1558 CB SER B 141 -3.747 12.142 3.277 1.00 0.15 C ATOM 1559 OG SER B 141 -3.942 10.934 3.990 1.00 1.01 O ATOM 0 H SER B 141 -3.686 14.042 1.700 1.00 0.15 H new ATOM 0 HA SER B 141 -4.088 11.366 1.295 1.00 0.13 H new ATOM 0 HB2 SER B 141 -2.684 12.288 3.088 1.00 0.15 H new ATOM 0 HB3 SER B 141 -4.082 12.984 3.883 1.00 0.15 H new ATOM 0 HG SER B 141 -3.443 10.968 4.833 1.00 1.01 H new ATOM 1565 N ALA B 142 -6.650 12.611 2.984 1.00 0.16 N ATOM 1566 CA ALA B 142 -8.055 12.384 3.309 1.00 0.17 C ATOM 1567 C ALA B 142 -8.927 12.368 2.058 1.00 0.17 C ATOM 1568 O ALA B 142 -9.991 11.750 2.047 1.00 0.18 O ATOM 1569 CB ALA B 142 -8.546 13.442 4.284 1.00 0.20 C ATOM 0 H ALA B 142 -6.250 13.449 3.406 1.00 0.16 H new ATOM 0 HA ALA B 142 -8.134 11.403 3.777 1.00 0.17 H new ATOM 0 HB1 ALA B 142 -9.595 13.262 4.519 1.00 0.20 H new ATOM 0 HB2 ALA B 142 -7.956 13.395 5.199 1.00 0.20 H new ATOM 0 HB3 ALA B 142 -8.439 14.429 3.834 1.00 0.20 H new ATOM 1575 N ASN B 143 -8.479 13.048 1.007 1.00 0.17 N ATOM 1576 CA ASN B 143 -9.236 13.099 -0.239 1.00 0.18 C ATOM 1577 C ASN B 143 -8.985 11.844 -1.058 1.00 0.16 C ATOM 1578 O ASN B 143 -9.847 11.388 -1.805 1.00 0.17 O ATOM 1579 CB ASN B 143 -8.855 14.335 -1.049 1.00 0.20 C ATOM 1580 CG ASN B 143 -9.034 15.621 -0.266 1.00 0.23 C ATOM 1581 OD1 ASN B 143 -7.989 16.033 0.442 1.00 0.26 O flip ATOM 1582 ND2 ASN B 143 -10.099 16.237 -0.296 1.00 0.23 N flip ATOM 0 H ASN B 143 -7.602 13.568 0.993 1.00 0.17 H new ATOM 0 HA ASN B 143 -10.297 13.157 0.006 1.00 0.18 H new ATOM 0 HB2 ASN B 143 -7.816 14.250 -1.369 1.00 0.20 H new ATOM 0 HB3 ASN B 143 -9.464 14.376 -1.952 1.00 0.20 H new ATOM 0 HD21 ASN B 143 -10.877 15.884 -0.854 1.00 0.23 H new ATOM 0 HD22 ASN B 143 -10.204 17.100 0.237 1.00 0.23 H new ATOM 1589 N LEU B 144 -7.791 11.294 -0.897 1.00 0.14 N ATOM 1590 CA LEU B 144 -7.383 10.096 -1.606 1.00 0.12 C ATOM 1591 C LEU B 144 -8.006 8.873 -0.956 1.00 0.11 C ATOM 1592 O LEU B 144 -8.315 7.886 -1.624 1.00 0.13 O ATOM 1593 CB LEU B 144 -5.859 10.013 -1.609 1.00 0.12 C ATOM 1594 CG LEU B 144 -5.177 11.069 -2.479 1.00 0.13 C ATOM 1595 CD1 LEU B 144 -3.690 11.122 -2.189 1.00 0.14 C ATOM 1596 CD2 LEU B 144 -5.431 10.787 -3.951 1.00 0.14 C ATOM 0 H LEU B 144 -7.079 11.668 -0.270 1.00 0.14 H new ATOM 0 HA LEU B 144 -7.730 10.134 -2.639 1.00 0.12 H new ATOM 0 HB2 LEU B 144 -5.499 10.113 -0.585 1.00 0.12 H new ATOM 0 HB3 LEU B 144 -5.561 9.024 -1.956 1.00 0.12 H new ATOM 0 HG LEU B 144 -5.603 12.043 -2.238 1.00 0.13 H new ATOM 0 HD11 LEU B 144 -3.223 11.880 -2.818 1.00 0.14 H new ATOM 0 HD12 LEU B 144 -3.533 11.374 -1.140 1.00 0.14 H new ATOM 0 HD13 LEU B 144 -3.243 10.150 -2.399 1.00 0.14 H new ATOM 0 HD21 LEU B 144 -4.939 11.548 -4.557 1.00 0.14 H new ATOM 0 HD22 LEU B 144 -5.033 9.805 -4.207 1.00 0.14 H new ATOM 0 HD23 LEU B 144 -6.503 10.806 -4.145 1.00 0.14 H new ATOM 1608 N LEU B 145 -8.192 8.952 0.355 1.00 0.11 N ATOM 1609 CA LEU B 145 -8.819 7.874 1.098 1.00 0.11 C ATOM 1610 C LEU B 145 -10.323 7.976 0.917 1.00 0.12 C ATOM 1611 O LEU B 145 -11.043 6.980 0.962 1.00 0.11 O ATOM 1612 CB LEU B 145 -8.448 7.948 2.583 1.00 0.12 C ATOM 1613 CG LEU B 145 -9.289 7.071 3.517 1.00 0.13 C ATOM 1614 CD1 LEU B 145 -9.297 5.626 3.039 1.00 0.15 C ATOM 1615 CD2 LEU B 145 -8.764 7.155 4.942 1.00 0.16 C ATOM 0 H LEU B 145 -7.917 9.753 0.923 1.00 0.11 H new ATOM 0 HA LEU B 145 -8.465 6.915 0.720 1.00 0.11 H new ATOM 0 HB2 LEU B 145 -7.401 7.665 2.693 1.00 0.12 H new ATOM 0 HB3 LEU B 145 -8.535 8.984 2.910 1.00 0.12 H new ATOM 0 HG LEU B 145 -10.314 7.442 3.502 1.00 0.13 H new ATOM 0 HD11 LEU B 145 -9.900 5.022 3.717 1.00 0.15 H new ATOM 0 HD12 LEU B 145 -9.720 5.577 2.036 1.00 0.15 H new ATOM 0 HD13 LEU B 145 -8.277 5.243 3.022 1.00 0.15 H new ATOM 0 HD21 LEU B 145 -9.373 6.526 5.592 1.00 0.16 H new ATOM 0 HD22 LEU B 145 -7.730 6.811 4.970 1.00 0.16 H new ATOM 0 HD23 LEU B 145 -8.812 8.188 5.287 1.00 0.16 H new ATOM 1627 N ALA B 146 -10.788 9.205 0.708 1.00 0.16 N ATOM 1628 CA ALA B 146 -12.203 9.455 0.486 1.00 0.17 C ATOM 1629 C ALA B 146 -12.624 8.869 -0.854 1.00 0.16 C ATOM 1630 O ALA B 146 -13.678 8.243 -0.969 1.00 0.17 O ATOM 1631 CB ALA B 146 -12.495 10.949 0.534 1.00 0.20 C ATOM 0 H ALA B 146 -10.203 10.041 0.688 1.00 0.16 H new ATOM 0 HA ALA B 146 -12.777 8.973 1.277 1.00 0.17 H new ATOM 0 HB1 ALA B 146 -13.559 11.117 0.366 1.00 0.20 H new ATOM 0 HB2 ALA B 146 -12.215 11.343 1.511 1.00 0.20 H new ATOM 0 HB3 ALA B 146 -11.920 11.457 -0.240 1.00 0.20 H new ATOM 1637 N GLU B 147 -11.787 9.080 -1.867 1.00 0.18 N ATOM 1638 CA GLU B 147 -12.047 8.555 -3.201 1.00 0.19 C ATOM 1639 C GLU B 147 -12.023 7.039 -3.166 1.00 0.16 C ATOM 1640 O GLU B 147 -12.874 6.374 -3.750 1.00 0.18 O ATOM 1641 CB GLU B 147 -10.990 9.060 -4.180 1.00 0.27 C ATOM 1642 CG GLU B 147 -11.011 10.563 -4.375 1.00 0.18 C ATOM 1643 CD GLU B 147 -12.008 11.004 -5.428 1.00 0.39 C ATOM 1644 OE1 GLU B 147 -13.177 11.260 -5.069 1.00 0.62 O ATOM 1645 OE2 GLU B 147 -11.621 11.092 -6.612 1.00 0.57 O ATOM 0 H GLU B 147 -10.921 9.613 -1.787 1.00 0.18 H new ATOM 0 HA GLU B 147 -13.028 8.896 -3.530 1.00 0.19 H new ATOM 0 HB2 GLU B 147 -10.004 8.762 -3.823 1.00 0.27 H new ATOM 0 HB3 GLU B 147 -11.139 8.575 -5.145 1.00 0.27 H new ATOM 0 HG2 GLU B 147 -11.253 11.044 -3.428 1.00 0.18 H new ATOM 0 HG3 GLU B 147 -10.015 10.902 -4.660 1.00 0.18 H new ATOM 1652 N ALA B 148 -11.021 6.503 -2.485 1.00 0.13 N ATOM 1653 CA ALA B 148 -10.873 5.063 -2.343 1.00 0.12 C ATOM 1654 C ALA B 148 -12.102 4.455 -1.673 1.00 0.14 C ATOM 1655 O ALA B 148 -12.607 3.418 -2.104 1.00 0.20 O ATOM 1656 CB ALA B 148 -9.623 4.747 -1.539 1.00 0.11 C ATOM 0 H ALA B 148 -10.295 7.048 -2.020 1.00 0.13 H new ATOM 0 HA ALA B 148 -10.777 4.625 -3.337 1.00 0.12 H new ATOM 0 HB1 ALA B 148 -9.519 3.667 -1.437 1.00 0.11 H new ATOM 0 HB2 ALA B 148 -8.749 5.149 -2.052 1.00 0.11 H new ATOM 0 HB3 ALA B 148 -9.703 5.199 -0.550 1.00 0.11 H new ATOM 1662 N LYS B 149 -12.576 5.109 -0.615 1.00 0.14 N ATOM 1663 CA LYS B 149 -13.749 4.642 0.119 1.00 0.17 C ATOM 1664 C LYS B 149 -15.020 4.814 -0.706 1.00 0.17 C ATOM 1665 O LYS B 149 -16.015 4.129 -0.477 1.00 0.22 O ATOM 1666 CB LYS B 149 -13.887 5.392 1.445 1.00 0.24 C ATOM 1667 CG LYS B 149 -12.970 4.881 2.540 1.00 0.34 C ATOM 1668 CD LYS B 149 -13.287 5.541 3.873 1.00 0.42 C ATOM 1669 CE LYS B 149 -12.282 5.149 4.941 1.00 0.59 C ATOM 1670 NZ LYS B 149 -12.607 5.757 6.260 1.00 1.01 N ATOM 0 H LYS B 149 -12.164 5.966 -0.246 1.00 0.14 H new ATOM 0 HA LYS B 149 -13.610 3.580 0.322 1.00 0.17 H new ATOM 0 HB2 LYS B 149 -13.681 6.449 1.276 1.00 0.24 H new ATOM 0 HB3 LYS B 149 -14.920 5.319 1.786 1.00 0.24 H new ATOM 0 HG2 LYS B 149 -13.076 3.800 2.632 1.00 0.34 H new ATOM 0 HG3 LYS B 149 -11.932 5.078 2.271 1.00 0.34 H new ATOM 0 HD2 LYS B 149 -13.288 6.624 3.753 1.00 0.42 H new ATOM 0 HD3 LYS B 149 -14.289 5.255 4.193 1.00 0.42 H new ATOM 0 HE2 LYS B 149 -12.260 4.063 5.037 1.00 0.59 H new ATOM 0 HE3 LYS B 149 -11.284 5.462 4.633 1.00 0.59 H new ATOM 0 HZ1 LYS B 149 -11.897 5.465 6.961 1.00 1.01 H new ATOM 0 HZ2 LYS B 149 -12.603 6.794 6.175 1.00 1.01 H new ATOM 0 HZ3 LYS B 149 -13.548 5.438 6.567 1.00 1.01 H new ATOM 1684 N LYS B 150 -14.983 5.732 -1.667 1.00 0.17 N ATOM 1685 CA LYS B 150 -16.128 5.985 -2.520 1.00 0.20 C ATOM 1686 C LYS B 150 -16.180 4.926 -3.606 1.00 0.21 C ATOM 1687 O LYS B 150 -17.245 4.432 -3.974 1.00 0.30 O ATOM 1688 CB LYS B 150 -16.025 7.397 -3.103 1.00 0.25 C ATOM 1689 CG LYS B 150 -15.472 7.452 -4.510 1.00 0.72 C ATOM 1690 CD LYS B 150 -16.280 8.379 -5.402 1.00 0.81 C ATOM 1691 CE LYS B 150 -17.677 7.834 -5.662 1.00 1.28 C ATOM 1692 NZ LYS B 150 -17.639 6.497 -6.317 1.00 1.99 N ATOM 0 H LYS B 150 -14.169 6.311 -1.871 1.00 0.17 H new ATOM 0 HA LYS B 150 -17.054 5.929 -1.948 1.00 0.20 H new ATOM 0 HB2 LYS B 150 -17.015 7.853 -3.096 1.00 0.25 H new ATOM 0 HB3 LYS B 150 -15.392 8.000 -2.453 1.00 0.25 H new ATOM 0 HG2 LYS B 150 -14.436 7.790 -4.480 1.00 0.72 H new ATOM 0 HG3 LYS B 150 -15.468 6.449 -4.938 1.00 0.72 H new ATOM 0 HD2 LYS B 150 -16.354 9.361 -4.935 1.00 0.81 H new ATOM 0 HD3 LYS B 150 -15.760 8.516 -6.350 1.00 0.81 H new ATOM 0 HE2 LYS B 150 -18.219 7.761 -4.719 1.00 1.28 H new ATOM 0 HE3 LYS B 150 -18.227 8.532 -6.293 1.00 1.28 H new ATOM 0 HZ1 LYS B 150 -18.489 6.373 -6.903 1.00 1.99 H new ATOM 0 HZ2 LYS B 150 -16.792 6.428 -6.917 1.00 1.99 H new ATOM 0 HZ3 LYS B 150 -17.609 5.755 -5.589 1.00 1.99 H new ATOM 1706 N LEU B 151 -15.001 4.595 -4.105 1.00 0.16 N ATOM 1707 CA LEU B 151 -14.851 3.583 -5.142 1.00 0.16 C ATOM 1708 C LEU B 151 -15.245 2.212 -4.606 1.00 0.15 C ATOM 1709 O LEU B 151 -16.015 1.483 -5.231 1.00 0.18 O ATOM 1710 CB LEU B 151 -13.403 3.551 -5.638 1.00 0.16 C ATOM 1711 CG LEU B 151 -13.113 2.534 -6.746 1.00 0.16 C ATOM 1712 CD1 LEU B 151 -14.054 2.735 -7.921 1.00 0.18 C ATOM 1713 CD2 LEU B 151 -11.663 2.637 -7.193 1.00 0.18 C ATOM 0 H LEU B 151 -14.122 5.017 -3.805 1.00 0.16 H new ATOM 0 HA LEU B 151 -15.508 3.837 -5.974 1.00 0.16 H new ATOM 0 HB2 LEU B 151 -13.139 4.544 -6.001 1.00 0.16 H new ATOM 0 HB3 LEU B 151 -12.751 3.337 -4.791 1.00 0.16 H new ATOM 0 HG LEU B 151 -13.280 1.533 -6.347 1.00 0.16 H new ATOM 0 HD11 LEU B 151 -13.830 2.002 -8.696 1.00 0.18 H new ATOM 0 HD12 LEU B 151 -15.084 2.608 -7.588 1.00 0.18 H new ATOM 0 HD13 LEU B 151 -13.924 3.740 -8.323 1.00 0.18 H new ATOM 0 HD21 LEU B 151 -11.472 1.908 -7.981 1.00 0.18 H new ATOM 0 HD22 LEU B 151 -11.470 3.640 -7.573 1.00 0.18 H new ATOM 0 HD23 LEU B 151 -11.006 2.437 -6.347 1.00 0.18 H new ATOM 1725 N ASN B 152 -14.698 1.871 -3.447 1.00 0.13 N ATOM 1726 CA ASN B 152 -14.988 0.595 -2.804 1.00 0.14 C ATOM 1727 C ASN B 152 -16.478 0.455 -2.514 1.00 0.17 C ATOM 1728 O ASN B 152 -17.091 -0.555 -2.856 1.00 0.21 O ATOM 1729 CB ASN B 152 -14.188 0.460 -1.508 1.00 0.20 C ATOM 1730 CG ASN B 152 -14.347 -0.907 -0.872 1.00 0.39 C ATOM 1731 OD1 ASN B 152 -13.680 -1.863 -1.264 1.00 1.39 O ATOM 1732 ND2 ASN B 152 -15.222 -1.004 0.122 1.00 0.69 N ATOM 0 H ASN B 152 -14.048 2.463 -2.930 1.00 0.13 H new ATOM 0 HA ASN B 152 -14.695 -0.202 -3.488 1.00 0.14 H new ATOM 0 HB2 ASN B 152 -13.133 0.641 -1.714 1.00 0.20 H new ATOM 0 HB3 ASN B 152 -14.511 1.226 -0.803 1.00 0.20 H new ATOM 0 HD21 ASN B 152 -15.362 -1.898 0.593 1.00 0.69 H new ATOM 0 HD22 ASN B 152 -15.754 -0.185 0.415 1.00 0.69 H new ATOM 1739 N ASP B 153 -17.054 1.472 -1.883 1.00 0.18 N ATOM 1740 CA ASP B 153 -18.477 1.459 -1.557 1.00 0.23 C ATOM 1741 C ASP B 153 -19.322 1.520 -2.826 1.00 0.25 C ATOM 1742 O ASP B 153 -20.503 1.170 -2.814 1.00 0.31 O ATOM 1743 CB ASP B 153 -18.826 2.628 -0.632 1.00 0.28 C ATOM 1744 CG ASP B 153 -18.448 2.357 0.812 1.00 1.20 C ATOM 1745 OD1 ASP B 153 -17.267 2.552 1.164 1.00 2.25 O ATOM 1746 OD2 ASP B 153 -19.336 1.948 1.589 1.00 1.04 O ATOM 0 H ASP B 153 -16.560 2.314 -1.587 1.00 0.18 H new ATOM 0 HA ASP B 153 -18.699 0.526 -1.039 1.00 0.23 H new ATOM 0 HB2 ASP B 153 -18.313 3.526 -0.976 1.00 0.28 H new ATOM 0 HB3 ASP B 153 -19.896 2.829 -0.693 1.00 0.28 H new ATOM 1751 N ALA B 154 -18.710 1.968 -3.919 1.00 0.23 N ATOM 1752 CA ALA B 154 -19.404 2.067 -5.198 1.00 0.28 C ATOM 1753 C ALA B 154 -19.662 0.685 -5.782 1.00 0.30 C ATOM 1754 O ALA B 154 -20.780 0.370 -6.188 1.00 0.35 O ATOM 1755 CB ALA B 154 -18.597 2.911 -6.174 1.00 0.28 C ATOM 0 H ALA B 154 -17.735 2.268 -3.944 1.00 0.23 H new ATOM 0 HA ALA B 154 -20.366 2.551 -5.028 1.00 0.28 H new ATOM 0 HB1 ALA B 154 -19.128 2.976 -7.124 1.00 0.28 H new ATOM 0 HB2 ALA B 154 -18.463 3.912 -5.764 1.00 0.28 H new ATOM 0 HB3 ALA B 154 -17.622 2.450 -6.334 1.00 0.28 H new ATOM 1761 N GLN B 155 -18.617 -0.136 -5.823 1.00 0.30 N ATOM 1762 CA GLN B 155 -18.729 -1.489 -6.352 1.00 0.35 C ATOM 1763 C GLN B 155 -19.312 -2.426 -5.302 1.00 0.36 C ATOM 1764 O GLN B 155 -19.910 -3.451 -5.631 1.00 0.44 O ATOM 1765 CB GLN B 155 -17.358 -2.001 -6.798 1.00 0.35 C ATOM 1766 CG GLN B 155 -16.672 -1.103 -7.812 1.00 0.36 C ATOM 1767 CD GLN B 155 -15.363 -1.685 -8.307 1.00 0.41 C ATOM 1768 OE1 GLN B 155 -15.332 -2.428 -9.289 1.00 0.51 O ATOM 1769 NE2 GLN B 155 -14.271 -1.353 -7.628 1.00 0.39 N ATOM 0 H GLN B 155 -17.683 0.113 -5.496 1.00 0.30 H new ATOM 0 HA GLN B 155 -19.397 -1.465 -7.213 1.00 0.35 H new ATOM 0 HB2 GLN B 155 -16.716 -2.103 -5.923 1.00 0.35 H new ATOM 0 HB3 GLN B 155 -17.473 -2.996 -7.227 1.00 0.35 H new ATOM 0 HG2 GLN B 155 -17.338 -0.941 -8.659 1.00 0.36 H new ATOM 0 HG3 GLN B 155 -16.486 -0.128 -7.362 1.00 0.36 H new ATOM 0 HE21 GLN B 155 -14.341 -0.734 -6.820 1.00 0.39 H new ATOM 0 HE22 GLN B 155 -13.362 -1.717 -7.914 1.00 0.39 H new ATOM 1778 N ALA B 156 -19.127 -2.065 -4.037 1.00 0.31 N ATOM 1779 CA ALA B 156 -19.629 -2.865 -2.926 1.00 0.34 C ATOM 1780 C ALA B 156 -21.125 -3.146 -3.075 1.00 0.47 C ATOM 1781 O ALA B 156 -21.850 -2.357 -3.681 1.00 0.56 O ATOM 1782 CB ALA B 156 -19.353 -2.161 -1.606 1.00 0.36 C ATOM 0 H ALA B 156 -18.631 -1.220 -3.755 1.00 0.31 H new ATOM 0 HA ALA B 156 -19.106 -3.821 -2.936 1.00 0.34 H new ATOM 0 HB1 ALA B 156 -19.732 -2.768 -0.784 1.00 0.36 H new ATOM 0 HB2 ALA B 156 -18.279 -2.019 -1.487 1.00 0.36 H new ATOM 0 HB3 ALA B 156 -19.850 -1.191 -1.600 1.00 0.36 H new ATOM 1788 N PRO B 157 -21.608 -4.278 -2.526 1.00 0.53 N ATOM 1789 CA PRO B 157 -23.025 -4.646 -2.605 1.00 0.68 C ATOM 1790 C PRO B 157 -23.919 -3.621 -1.919 1.00 0.79 C ATOM 1791 O PRO B 157 -24.871 -3.112 -2.513 1.00 0.89 O ATOM 1792 CB PRO B 157 -23.098 -5.992 -1.871 1.00 0.81 C ATOM 1793 CG PRO B 157 -21.696 -6.497 -1.837 1.00 0.70 C ATOM 1794 CD PRO B 157 -20.821 -5.278 -1.787 1.00 0.48 C ATOM 0 HA PRO B 157 -23.374 -4.695 -3.637 1.00 0.68 H new ATOM 0 HB2 PRO B 157 -23.497 -5.870 -0.864 1.00 0.81 H new ATOM 0 HB3 PRO B 157 -23.755 -6.689 -2.392 1.00 0.81 H new ATOM 0 HG2 PRO B 157 -21.531 -7.132 -0.967 1.00 0.70 H new ATOM 0 HG3 PRO B 157 -21.476 -7.100 -2.718 1.00 0.70 H new ATOM 0 HD2 PRO B 157 -20.627 -4.962 -0.762 1.00 0.48 H new ATOM 0 HD3 PRO B 157 -19.853 -5.456 -2.255 1.00 0.48 H new ATOM 1802 N LYS B 158 -23.601 -3.321 -0.664 1.00 0.96 N ATOM 1803 CA LYS B 158 -24.366 -2.357 0.115 1.00 1.17 C ATOM 1804 C LYS B 158 -24.221 -0.951 -0.461 1.00 1.23 C ATOM 1805 O LYS B 158 -25.061 -0.567 -1.302 1.00 1.76 O ATOM 1806 CB LYS B 158 -23.903 -2.377 1.572 1.00 1.46 C ATOM 1807 CG LYS B 158 -24.015 -3.741 2.223 1.00 1.69 C ATOM 1808 CD LYS B 158 -23.354 -3.766 3.591 1.00 2.47 C ATOM 1809 CE LYS B 158 -23.478 -5.133 4.242 1.00 3.07 C ATOM 1810 NZ LYS B 158 -22.780 -5.188 5.555 1.00 3.60 N ATOM 1811 OXT LYS B 158 -23.269 -0.245 -0.066 1.00 1.64 O ATOM 0 H LYS B 158 -22.814 -3.735 -0.164 1.00 0.96 H new ATOM 0 HA LYS B 158 -25.418 -2.638 0.069 1.00 1.17 H new ATOM 0 HB2 LYS B 158 -22.866 -2.044 1.620 1.00 1.46 H new ATOM 0 HB3 LYS B 158 -24.494 -1.661 2.143 1.00 1.46 H new ATOM 0 HG2 LYS B 158 -25.066 -4.012 2.322 1.00 1.69 H new ATOM 0 HG3 LYS B 158 -23.551 -4.490 1.581 1.00 1.69 H new ATOM 0 HD2 LYS B 158 -22.301 -3.502 3.493 1.00 2.47 H new ATOM 0 HD3 LYS B 158 -23.813 -3.013 4.232 1.00 2.47 H new ATOM 0 HE2 LYS B 158 -24.532 -5.375 4.381 1.00 3.07 H new ATOM 0 HE3 LYS B 158 -23.062 -5.890 3.578 1.00 3.07 H new ATOM 0 HZ1 LYS B 158 -22.888 -6.137 5.966 1.00 3.60 H new ATOM 0 HZ2 LYS B 158 -21.770 -4.982 5.420 1.00 3.60 H new ATOM 0 HZ3 LYS B 158 -23.194 -4.483 6.198 1.00 3.60 H new TER 1825 LYS B 158