USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1059 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot 180:sc= -0.392 USER MOD Set 1.2: A 127 LYS NZ :NH3+ 153:sc= -1.04 (180deg=-0.216) USER MOD Set 1.3: A 129 HIS : no HD1:sc= -1.24 K(o=-2.7,f=-5.6!) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 71 THR OG1 : rot -20:sc= 0.238 USER MOD Set 3.2: A 73 LYS NZ :NH3+ -167:sc= 0.0333 (180deg=-0.295) USER MOD Set 4.1: A 19 ASN :FLIP amide:sc= -1.22 F(o=-2.9!,f=-1.2) USER MOD Set 4.2: A 102 TYR OH : rot 0:sc= 0 USER MOD Set 5.1: A 9 LYS NZ :NH3+ 167:sc= -0.0323 (180deg=-0.239) USER MOD Set 5.2: A 121 ASN : amide:sc= -4.79! C(o=-4.8!,f=-6.2!) USER MOD Single : A 1 PHE N :NH3+ 180:sc= -0.0886 (180deg=-0.0886) USER MOD Single : A 2 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.032) USER MOD Single : A 3 LYS NZ :NH3+ -149:sc= -0.285 (180deg=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -6.24! C(o=-6.2!,f=-14!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 105:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.586 F(o=-4.6!,f=-0.59) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -150:sc= -0.116 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 34 TYR OH : rot 76:sc= 1.28 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= -0.344 (180deg=-0.579) USER MOD Single : A 38 ASN : amide:sc= -0.855 X(o=-0.86,f=-0.43) USER MOD Single : A 39 SER OG : rot 150:sc= 0.306 USER MOD Single : A 41 ASN : amide:sc= -5.06! C(o=-5.1!,f=-9.4!) USER MOD Single : A 44 LYS NZ :NH3+ -144:sc= 1.2 (180deg=-0.842) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0521 (180deg=-0.259) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 60:sc= 0.251 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -170:sc= -0.555 USER MOD Single : A 68 THR OG1 : rot 140:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= -0.0309 (180deg=-0.257) USER MOD Single : A 78 GLN :FLIP amide:sc= -1.59 F(o=-7.2!,f=-1.6) USER MOD Single : A 80 SER OG : rot -14:sc= 0.208 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0515 F(o=-2.8!,f=-0.052) USER MOD Single : A 87 THR OG1 : rot -58:sc= 1.26 USER MOD Single : A 91 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.5) USER MOD Single : A 93 MET CE :methyl 155:sc= -0.11 (180deg=-0.733) USER MOD Single : A 97 SER OG : rot 73:sc= -0.256 USER MOD Single : A 105 SER OG : rot -170:sc= -0.101 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -33:sc= 0.789 USER MOD Single : A 123 THR OG1 : rot -90:sc= -0.351 USER MOD Single : A 132 SER OG : rot -32:sc= 0.229 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 60:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -25.430 9.573 2.715 1.00 1.58 N ATOM 2 CA PHE A 1 -24.090 9.383 2.102 1.00 0.99 C ATOM 3 C PHE A 1 -23.593 7.957 2.311 1.00 0.95 C ATOM 4 O PHE A 1 -22.604 7.539 1.708 1.00 0.87 O ATOM 5 CB PHE A 1 -23.087 10.373 2.700 1.00 1.84 C ATOM 6 CG PHE A 1 -23.403 11.811 2.395 1.00 2.02 C ATOM 7 CD1 PHE A 1 -22.905 12.419 1.255 1.00 1.89 C ATOM 8 CD2 PHE A 1 -24.203 12.551 3.251 1.00 2.67 C ATOM 9 CE1 PHE A 1 -23.197 13.740 0.974 1.00 2.25 C ATOM 10 CE2 PHE A 1 -24.499 13.872 2.975 1.00 3.09 C ATOM 11 CZ PHE A 1 -23.981 14.470 1.828 1.00 2.83 C ATOM 0 H1 PHE A 1 -25.747 10.551 2.560 1.00 1.58 H new ATOM 0 H2 PHE A 1 -26.108 8.916 2.279 1.00 1.58 H new ATOM 0 H3 PHE A 1 -25.374 9.385 3.736 1.00 1.58 H new ATOM 0 HA PHE A 1 -24.180 9.566 1.031 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -23.057 10.238 3.781 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -22.091 10.141 2.322 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -22.281 11.854 0.578 1.00 1.89 H new ATOM 0 HD2 PHE A 1 -24.599 12.090 4.144 1.00 2.67 H new ATOM 0 HE1 PHE A 1 -22.806 14.199 0.078 1.00 2.25 H new ATOM 0 HE2 PHE A 1 -25.129 14.438 3.645 1.00 3.09 H new ATOM 0 HZ PHE A 1 -24.197 15.506 1.613 1.00 2.83 H new ATOM 23 N ASN A 2 -24.287 7.212 3.165 1.00 1.03 N ATOM 24 CA ASN A 2 -23.909 5.833 3.452 1.00 1.03 C ATOM 25 C ASN A 2 -24.153 4.936 2.249 1.00 0.98 C ATOM 26 O ASN A 2 -23.552 3.870 2.136 1.00 0.95 O ATOM 27 CB ASN A 2 -24.675 5.305 4.667 1.00 1.14 C ATOM 28 CG ASN A 2 -26.177 5.428 4.503 1.00 1.25 C ATOM 29 OD1 ASN A 2 -26.835 4.521 3.993 1.00 2.08 O ATOM 30 ND2 ASN A 2 -26.728 6.556 4.936 1.00 1.42 N ATOM 0 H ASN A 2 -25.111 7.539 3.669 1.00 1.03 H new ATOM 0 HA ASN A 2 -22.843 5.821 3.677 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -24.415 4.259 4.830 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -24.363 5.854 5.556 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -27.735 6.697 4.852 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -26.144 7.282 5.352 1.00 1.42 H new ATOM 37 N LYS A 3 -25.043 5.356 1.357 1.00 0.99 N ATOM 38 CA LYS A 3 -25.321 4.575 0.161 1.00 0.99 C ATOM 39 C LYS A 3 -24.050 4.463 -0.672 1.00 0.88 C ATOM 40 O LYS A 3 -23.749 3.410 -1.240 1.00 0.88 O ATOM 41 CB LYS A 3 -26.454 5.202 -0.663 1.00 1.05 C ATOM 42 CG LYS A 3 -26.131 6.574 -1.241 1.00 1.40 C ATOM 43 CD LYS A 3 -26.272 7.673 -0.200 1.00 1.98 C ATOM 44 CE LYS A 3 -26.089 9.051 -0.817 1.00 2.69 C ATOM 45 NZ LYS A 3 -24.739 9.212 -1.426 1.00 3.23 N ATOM 0 H LYS A 3 -25.577 6.221 1.438 1.00 0.99 H new ATOM 0 HA LYS A 3 -25.649 3.579 0.460 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -26.707 4.528 -1.481 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -27.340 5.286 -0.034 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -25.114 6.573 -1.633 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -26.796 6.781 -2.080 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -27.255 7.610 0.267 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -25.534 7.525 0.589 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -26.852 9.212 -1.578 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -26.236 9.814 -0.052 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -24.444 10.207 -1.358 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -24.056 8.612 -0.920 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -24.773 8.929 -2.426 1.00 3.23 H new ATOM 59 N LYS A 4 -23.299 5.559 -0.719 1.00 0.82 N ATOM 60 CA LYS A 4 -22.047 5.601 -1.462 1.00 0.74 C ATOM 61 C LYS A 4 -20.938 4.952 -0.647 1.00 0.69 C ATOM 62 O LYS A 4 -20.046 4.299 -1.193 1.00 0.64 O ATOM 63 CB LYS A 4 -21.675 7.048 -1.798 1.00 0.74 C ATOM 64 CG LYS A 4 -20.394 7.178 -2.607 1.00 1.23 C ATOM 65 CD LYS A 4 -20.107 8.628 -2.965 1.00 1.54 C ATOM 66 CE LYS A 4 -18.775 8.772 -3.684 1.00 2.11 C ATOM 67 NZ LYS A 4 -18.499 10.184 -4.067 1.00 2.63 N ATOM 0 H LYS A 4 -23.538 6.432 -0.249 1.00 0.82 H new ATOM 0 HA LYS A 4 -22.173 5.049 -2.393 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -22.494 7.504 -2.355 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -21.567 7.611 -0.871 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -19.559 6.771 -2.037 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -20.476 6.586 -3.519 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -20.907 9.013 -3.598 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -20.099 9.233 -2.058 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -17.974 8.408 -3.041 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -18.776 8.147 -4.577 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -17.582 10.239 -4.554 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -19.249 10.525 -4.702 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -18.473 10.777 -3.213 1.00 2.63 H new ATOM 81 N ALA A 5 -21.008 5.132 0.670 1.00 0.73 N ATOM 82 CA ALA A 5 -20.018 4.564 1.573 1.00 0.73 C ATOM 83 C ALA A 5 -20.036 3.045 1.493 1.00 0.71 C ATOM 84 O ALA A 5 -18.991 2.399 1.490 1.00 0.64 O ATOM 85 CB ALA A 5 -20.269 5.028 2.999 1.00 0.82 C ATOM 0 H ALA A 5 -21.742 5.668 1.133 1.00 0.73 H new ATOM 0 HA ALA A 5 -19.031 4.913 1.268 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -19.519 4.593 3.660 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -20.206 6.115 3.044 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -21.262 4.708 3.316 1.00 0.82 H new ATOM 91 N ASP A 6 -21.231 2.475 1.435 1.00 0.80 N ATOM 92 CA ASP A 6 -21.373 1.031 1.339 1.00 0.81 C ATOM 93 C ASP A 6 -21.030 0.557 -0.062 1.00 0.75 C ATOM 94 O ASP A 6 -20.532 -0.553 -0.245 1.00 0.74 O ATOM 95 CB ASP A 6 -22.790 0.598 1.716 1.00 0.90 C ATOM 96 CG ASP A 6 -22.947 -0.910 1.731 1.00 1.65 C ATOM 97 OD1 ASP A 6 -22.695 -1.522 2.791 1.00 1.58 O ATOM 98 OD2 ASP A 6 -23.322 -1.479 0.685 1.00 2.57 O ATOM 0 H ASP A 6 -22.112 2.988 1.453 1.00 0.80 H new ATOM 0 HA ASP A 6 -20.678 0.573 2.042 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -23.040 0.997 2.699 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -23.499 1.028 1.008 1.00 0.90 H new ATOM 103 N GLU A 7 -21.301 1.402 -1.053 1.00 0.74 N ATOM 104 CA GLU A 7 -20.995 1.061 -2.433 1.00 0.71 C ATOM 105 C GLU A 7 -19.517 0.717 -2.563 1.00 0.63 C ATOM 106 O GLU A 7 -19.144 -0.224 -3.268 1.00 0.59 O ATOM 107 CB GLU A 7 -21.354 2.219 -3.367 1.00 0.72 C ATOM 108 CG GLU A 7 -21.155 1.896 -4.839 1.00 1.31 C ATOM 109 CD GLU A 7 -22.055 0.772 -5.314 1.00 1.58 C ATOM 110 OE1 GLU A 7 -21.638 -0.402 -5.218 1.00 1.91 O ATOM 111 OE2 GLU A 7 -23.174 1.064 -5.782 1.00 2.10 O ATOM 0 H GLU A 7 -21.728 2.319 -0.925 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.590 0.194 -2.720 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.395 2.499 -3.202 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.746 3.086 -3.108 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -21.350 2.789 -5.433 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -20.114 1.621 -5.010 1.00 1.31 H new ATOM 118 N ASN A 8 -18.672 1.485 -1.877 1.00 0.61 N ATOM 119 CA ASN A 8 -17.242 1.234 -1.913 1.00 0.54 C ATOM 120 C ASN A 8 -16.882 0.071 -0.994 1.00 0.48 C ATOM 121 O ASN A 8 -15.913 -0.648 -1.236 1.00 0.39 O ATOM 122 CB ASN A 8 -16.442 2.498 -1.566 1.00 0.62 C ATOM 123 CG ASN A 8 -16.683 2.994 -0.156 1.00 0.62 C ATOM 124 OD1 ASN A 8 -16.697 2.217 0.794 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.876 4.301 -0.015 1.00 0.55 N ATOM 0 H ASN A 8 -18.953 2.276 -1.298 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.970 0.955 -2.931 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -15.379 2.293 -1.694 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -16.702 3.288 -2.271 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.044 4.695 0.911 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.856 4.911 -0.833 1.00 0.55 H new ATOM 132 N LYS A 9 -17.672 -0.106 0.065 1.00 0.57 N ATOM 133 CA LYS A 9 -17.459 -1.199 1.008 1.00 0.57 C ATOM 134 C LYS A 9 -17.585 -2.556 0.316 1.00 0.48 C ATOM 135 O LYS A 9 -16.819 -3.479 0.596 1.00 0.44 O ATOM 136 CB LYS A 9 -18.477 -1.115 2.148 1.00 0.72 C ATOM 137 CG LYS A 9 -18.251 -2.144 3.245 1.00 0.86 C ATOM 138 CD LYS A 9 -19.199 -1.930 4.413 1.00 1.55 C ATOM 139 CE LYS A 9 -18.989 -2.974 5.498 1.00 1.84 C ATOM 140 NZ LYS A 9 -17.601 -2.944 6.036 1.00 2.67 N ATOM 0 H LYS A 9 -18.465 0.495 0.290 1.00 0.57 H new ATOM 0 HA LYS A 9 -16.450 -1.104 1.408 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -18.439 -0.117 2.585 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -19.479 -1.246 1.739 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -18.392 -3.146 2.840 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -17.221 -2.083 3.595 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -19.046 -0.934 4.830 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -20.229 -1.973 4.060 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -19.697 -2.802 6.309 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -19.201 -3.964 5.095 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -17.555 -3.505 6.910 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -16.947 -3.344 5.333 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -17.329 -1.961 6.241 1.00 2.67 H new ATOM 154 N VAL A 10 -18.551 -2.666 -0.593 1.00 0.48 N ATOM 155 CA VAL A 10 -18.791 -3.916 -1.308 1.00 0.44 C ATOM 156 C VAL A 10 -17.776 -4.154 -2.424 1.00 0.39 C ATOM 157 O VAL A 10 -17.177 -5.228 -2.501 1.00 0.37 O ATOM 158 CB VAL A 10 -20.218 -3.966 -1.895 1.00 0.51 C ATOM 159 CG1 VAL A 10 -21.252 -3.956 -0.782 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.458 -2.809 -2.853 1.00 1.15 C ATOM 0 H VAL A 10 -19.179 -1.905 -0.851 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.678 -4.710 -0.570 1.00 0.44 H new ATOM 0 HB VAL A 10 -20.318 -4.895 -2.456 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -22.252 -3.992 -1.214 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -21.103 -4.824 -0.139 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -21.144 -3.045 -0.193 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.471 -2.870 -3.251 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.333 -1.865 -2.322 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -19.742 -2.861 -3.673 1.00 1.15 H new ATOM 170 N LYS A 11 -17.577 -3.160 -3.285 1.00 0.38 N ATOM 171 CA LYS A 11 -16.635 -3.298 -4.393 1.00 0.37 C ATOM 172 C LYS A 11 -15.203 -3.453 -3.889 1.00 0.31 C ATOM 173 O LYS A 11 -14.361 -4.047 -4.564 1.00 0.30 O ATOM 174 CB LYS A 11 -16.732 -2.100 -5.339 1.00 0.40 C ATOM 175 CG LYS A 11 -16.321 -0.783 -4.702 1.00 0.39 C ATOM 176 CD LYS A 11 -16.390 0.367 -5.696 1.00 0.46 C ATOM 177 CE LYS A 11 -17.820 0.656 -6.124 1.00 1.37 C ATOM 178 NZ LYS A 11 -17.888 1.755 -7.126 1.00 1.69 N ATOM 0 H LYS A 11 -18.050 -2.258 -3.239 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.903 -4.202 -4.941 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.103 -2.284 -6.210 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.757 -2.015 -5.699 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.971 -0.570 -3.853 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.306 -0.868 -4.313 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -15.956 1.261 -5.248 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -15.789 0.126 -6.573 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -18.263 -0.247 -6.545 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -18.413 0.924 -5.250 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -18.880 1.921 -7.392 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -17.489 2.624 -6.716 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -17.343 1.489 -7.971 1.00 1.69 H new ATOM 192 N GLY A 12 -14.931 -2.918 -2.703 1.00 0.31 N ATOM 193 CA GLY A 12 -13.599 -3.013 -2.137 1.00 0.29 C ATOM 194 C GLY A 12 -13.302 -4.398 -1.602 1.00 0.27 C ATOM 195 O GLY A 12 -12.302 -5.012 -1.973 1.00 0.28 O ATOM 0 H GLY A 12 -15.609 -2.421 -2.125 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.863 -2.754 -2.898 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.495 -2.285 -1.333 1.00 0.29 H new ATOM 199 N GLU A 13 -14.175 -4.893 -0.731 1.00 0.26 N ATOM 200 CA GLU A 13 -14.006 -6.221 -0.156 1.00 0.26 C ATOM 201 C GLU A 13 -14.084 -7.285 -1.245 1.00 0.23 C ATOM 202 O GLU A 13 -13.536 -8.378 -1.105 1.00 0.23 O ATOM 203 CB GLU A 13 -15.075 -6.478 0.907 1.00 0.30 C ATOM 204 CG GLU A 13 -14.870 -7.773 1.675 1.00 1.16 C ATOM 205 CD GLU A 13 -15.980 -8.041 2.672 1.00 1.67 C ATOM 206 OE1 GLU A 13 -15.877 -7.556 3.819 1.00 1.95 O ATOM 207 OE2 GLU A 13 -16.951 -8.736 2.306 1.00 2.39 O ATOM 0 H GLU A 13 -15.005 -4.395 -0.409 1.00 0.26 H new ATOM 0 HA GLU A 13 -13.024 -6.273 0.313 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -15.083 -5.646 1.611 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -16.054 -6.500 0.428 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -14.811 -8.603 0.971 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -13.916 -7.732 2.201 1.00 1.16 H new ATOM 214 N ALA A 14 -14.768 -6.949 -2.334 1.00 0.22 N ATOM 215 CA ALA A 14 -14.926 -7.866 -3.456 1.00 0.21 C ATOM 216 C ALA A 14 -13.664 -7.909 -4.304 1.00 0.19 C ATOM 217 O ALA A 14 -13.231 -8.978 -4.735 1.00 0.23 O ATOM 218 CB ALA A 14 -16.121 -7.463 -4.305 1.00 0.23 C ATOM 0 H ALA A 14 -15.223 -6.045 -2.463 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.101 -8.865 -3.057 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.226 -8.157 -5.139 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -17.025 -7.488 -3.696 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.970 -6.454 -4.690 1.00 0.23 H new ATOM 224 N PHE A 15 -13.078 -6.739 -4.545 1.00 0.19 N ATOM 225 CA PHE A 15 -11.860 -6.649 -5.338 1.00 0.17 C ATOM 226 C PHE A 15 -10.757 -7.502 -4.724 1.00 0.15 C ATOM 227 O PHE A 15 -10.103 -8.277 -5.419 1.00 0.15 O ATOM 228 CB PHE A 15 -11.396 -5.191 -5.455 1.00 0.20 C ATOM 229 CG PHE A 15 -9.908 -5.043 -5.631 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.271 -5.551 -6.753 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.148 -4.404 -4.667 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.904 -5.422 -6.908 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.780 -4.273 -4.814 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.157 -4.784 -5.937 1.00 0.21 C ATOM 0 H PHE A 15 -13.427 -5.844 -4.203 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.078 -7.026 -6.337 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.901 -4.725 -6.301 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.703 -4.648 -4.561 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.850 -6.053 -7.514 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.630 -4.002 -3.788 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.420 -5.820 -7.788 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.199 -3.773 -4.053 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.088 -4.685 -6.055 1.00 0.21 H new ATOM 244 N LEU A 16 -10.555 -7.353 -3.418 1.00 0.16 N ATOM 245 CA LEU A 16 -9.524 -8.115 -2.724 1.00 0.18 C ATOM 246 C LEU A 16 -9.880 -9.599 -2.689 1.00 0.18 C ATOM 247 O LEU A 16 -9.002 -10.460 -2.788 1.00 0.19 O ATOM 248 CB LEU A 16 -9.308 -7.566 -1.310 1.00 0.24 C ATOM 249 CG LEU A 16 -10.506 -7.677 -0.365 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.488 -9.003 0.381 1.00 0.53 C ATOM 251 CD2 LEU A 16 -10.516 -6.512 0.614 1.00 0.55 C ATOM 0 H LEU A 16 -11.087 -6.717 -2.824 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.589 -8.008 -3.274 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.465 -8.091 -0.861 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -9.025 -6.516 -1.387 1.00 0.24 H new ATOM 0 HG LEU A 16 -11.417 -7.638 -0.962 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.350 -9.058 1.046 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -10.530 -9.824 -0.335 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -9.572 -9.079 0.967 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -11.374 -6.604 1.280 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.598 -6.522 1.201 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -10.584 -5.574 0.063 1.00 0.55 H new ATOM 263 N THR A 17 -11.171 -9.896 -2.554 1.00 0.19 N ATOM 264 CA THR A 17 -11.637 -11.279 -2.530 1.00 0.20 C ATOM 265 C THR A 17 -11.210 -11.991 -3.807 1.00 0.21 C ATOM 266 O THR A 17 -10.674 -13.098 -3.769 1.00 0.22 O ATOM 267 CB THR A 17 -13.172 -11.352 -2.383 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.553 -11.002 -1.048 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.694 -12.743 -2.713 1.00 0.27 C ATOM 0 H THR A 17 -11.910 -9.199 -2.460 1.00 0.19 H new ATOM 0 HA THR A 17 -11.188 -11.771 -1.667 1.00 0.20 H new ATOM 0 HB THR A 17 -13.610 -10.645 -3.088 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.928 -10.097 -1.042 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.778 -12.761 -2.600 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.432 -12.996 -3.740 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.246 -13.470 -2.035 1.00 0.27 H new ATOM 277 N GLU A 18 -11.459 -11.346 -4.939 1.00 0.21 N ATOM 278 CA GLU A 18 -11.083 -11.900 -6.231 1.00 0.22 C ATOM 279 C GLU A 18 -9.569 -11.827 -6.404 1.00 0.21 C ATOM 280 O GLU A 18 -8.964 -12.679 -7.057 1.00 0.24 O ATOM 281 CB GLU A 18 -11.783 -11.141 -7.362 1.00 0.23 C ATOM 282 CG GLU A 18 -11.575 -11.764 -8.732 1.00 1.25 C ATOM 283 CD GLU A 18 -12.166 -13.157 -8.835 1.00 1.71 C ATOM 284 OE1 GLU A 18 -11.466 -14.126 -8.477 1.00 2.47 O ATOM 285 OE2 GLU A 18 -13.329 -13.277 -9.274 1.00 2.02 O ATOM 0 H GLU A 18 -11.920 -10.438 -4.988 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.396 -12.943 -6.272 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -12.851 -11.096 -7.151 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.418 -10.114 -7.380 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -12.027 -11.125 -9.490 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -10.508 -11.809 -8.948 1.00 1.25 H new ATOM 292 N ASN A 19 -8.968 -10.797 -5.811 1.00 0.19 N ATOM 293 CA ASN A 19 -7.526 -10.594 -5.885 1.00 0.19 C ATOM 294 C ASN A 19 -6.766 -11.793 -5.325 1.00 0.21 C ATOM 295 O ASN A 19 -5.626 -12.043 -5.701 1.00 0.22 O ATOM 296 CB ASN A 19 -7.115 -9.339 -5.114 1.00 0.17 C ATOM 297 CG ASN A 19 -5.643 -9.367 -4.758 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.311 -10.109 -3.707 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.817 -8.744 -5.425 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.463 -10.087 -5.271 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.272 -10.475 -6.938 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.329 -8.455 -5.714 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.710 -9.258 -4.204 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -5.122 -8.188 -6.224 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.828 -8.784 -5.179 1.00 0.18 H new ATOM 306 N LYS A 20 -7.395 -12.514 -4.408 1.00 0.23 N ATOM 307 CA LYS A 20 -6.779 -13.685 -3.791 1.00 0.26 C ATOM 308 C LYS A 20 -6.121 -14.592 -4.833 1.00 0.27 C ATOM 309 O LYS A 20 -5.262 -15.410 -4.505 1.00 0.29 O ATOM 310 CB LYS A 20 -7.829 -14.463 -3.000 1.00 0.29 C ATOM 311 CG LYS A 20 -8.327 -13.721 -1.768 1.00 1.04 C ATOM 312 CD LYS A 20 -9.609 -14.331 -1.221 1.00 1.41 C ATOM 313 CE LYS A 20 -9.418 -15.792 -0.848 1.00 1.75 C ATOM 314 NZ LYS A 20 -10.691 -16.425 -0.404 1.00 2.45 N ATOM 0 H LYS A 20 -8.336 -12.309 -4.072 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.996 -13.339 -3.116 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.676 -14.682 -3.651 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.407 -15.420 -2.693 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -7.557 -13.740 -0.996 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.501 -12.675 -2.019 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -9.934 -13.771 -0.345 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -10.400 -14.245 -1.966 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -9.022 -16.336 -1.705 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -8.678 -15.869 -0.052 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -10.517 -17.421 -0.159 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -11.056 -15.922 0.430 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -11.390 -16.375 -1.172 1.00 2.45 H new ATOM 328 N ASN A 21 -6.535 -14.443 -6.087 1.00 0.27 N ATOM 329 CA ASN A 21 -6.007 -15.252 -7.180 1.00 0.30 C ATOM 330 C ASN A 21 -4.558 -14.894 -7.522 1.00 0.28 C ATOM 331 O ASN A 21 -3.784 -15.761 -7.926 1.00 0.31 O ATOM 332 CB ASN A 21 -6.889 -15.096 -8.418 1.00 0.33 C ATOM 333 CG ASN A 21 -8.275 -15.664 -8.197 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.774 -15.543 -6.972 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.894 -16.200 -9.116 1.00 0.34 N flip ATOM 0 H ASN A 21 -7.240 -13.764 -6.373 1.00 0.27 H new ATOM 0 HA ASN A 21 -6.015 -16.290 -6.849 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.966 -14.040 -8.678 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.421 -15.600 -9.264 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -8.472 -16.271 -10.042 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.829 -16.573 -8.952 1.00 0.34 H new ATOM 342 N LYS A 22 -4.202 -13.616 -7.369 1.00 0.25 N ATOM 343 CA LYS A 22 -2.845 -13.149 -7.671 1.00 0.24 C ATOM 344 C LYS A 22 -1.790 -14.122 -7.142 1.00 0.24 C ATOM 345 O LYS A 22 -1.703 -14.352 -5.937 1.00 0.23 O ATOM 346 CB LYS A 22 -2.601 -11.759 -7.069 1.00 0.26 C ATOM 347 CG LYS A 22 -3.625 -10.700 -7.470 1.00 0.41 C ATOM 348 CD LYS A 22 -4.080 -10.854 -8.913 1.00 1.16 C ATOM 349 CE LYS A 22 -4.830 -9.622 -9.397 1.00 1.03 C ATOM 350 NZ LYS A 22 -5.280 -9.767 -10.809 1.00 1.40 N ATOM 0 H LYS A 22 -4.833 -12.886 -7.038 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.757 -13.093 -8.756 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.594 -11.845 -5.982 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.610 -11.418 -7.368 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -4.490 -10.766 -6.810 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -3.193 -9.709 -7.331 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.214 -11.028 -9.552 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -4.722 -11.730 -9.001 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -5.694 -9.448 -8.756 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -4.186 -8.747 -9.309 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -5.787 -8.907 -11.102 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -4.453 -9.908 -11.424 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -5.915 -10.587 -10.889 1.00 1.40 H new ATOM 364 N PRO A 23 -0.973 -14.708 -8.039 1.00 0.29 N ATOM 365 CA PRO A 23 0.081 -15.653 -7.650 1.00 0.33 C ATOM 366 C PRO A 23 1.075 -15.044 -6.669 1.00 0.33 C ATOM 367 O PRO A 23 1.554 -13.928 -6.868 1.00 0.34 O ATOM 368 CB PRO A 23 0.777 -16.000 -8.973 1.00 0.42 C ATOM 369 CG PRO A 23 0.377 -14.919 -9.918 1.00 0.65 C ATOM 370 CD PRO A 23 -0.999 -14.499 -9.496 1.00 0.35 C ATOM 0 HA PRO A 23 -0.331 -16.522 -7.137 1.00 0.33 H new ATOM 0 HB2 PRO A 23 1.860 -16.036 -8.851 1.00 0.42 H new ATOM 0 HB3 PRO A 23 0.464 -16.978 -9.338 1.00 0.42 H new ATOM 0 HG2 PRO A 23 1.073 -14.082 -9.872 1.00 0.65 H new ATOM 0 HG3 PRO A 23 0.378 -15.278 -10.947 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -1.200 -13.459 -9.752 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.770 -15.100 -9.977 1.00 0.35 H new ATOM 378 N GLY A 24 1.382 -15.785 -5.610 1.00 0.34 N ATOM 379 CA GLY A 24 2.328 -15.307 -4.619 1.00 0.37 C ATOM 380 C GLY A 24 1.685 -14.457 -3.542 1.00 0.33 C ATOM 381 O GLY A 24 2.375 -13.957 -2.652 1.00 0.36 O ATOM 0 H GLY A 24 0.993 -16.708 -5.420 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.820 -16.161 -4.154 1.00 0.37 H new ATOM 0 HA3 GLY A 24 3.104 -14.725 -5.117 1.00 0.37 H new ATOM 385 N VAL A 25 0.366 -14.283 -3.612 1.00 0.29 N ATOM 386 CA VAL A 25 -0.338 -13.487 -2.614 1.00 0.29 C ATOM 387 C VAL A 25 -0.155 -14.088 -1.225 1.00 0.26 C ATOM 388 O VAL A 25 -0.610 -15.196 -0.945 1.00 0.31 O ATOM 389 CB VAL A 25 -1.843 -13.341 -2.935 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.512 -14.698 -3.081 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.542 -12.510 -1.867 1.00 0.81 C ATOM 0 H VAL A 25 -0.229 -14.678 -4.341 1.00 0.29 H new ATOM 0 HA VAL A 25 0.099 -12.489 -2.636 1.00 0.29 H new ATOM 0 HB VAL A 25 -1.931 -12.822 -3.890 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.569 -14.560 -3.306 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.038 -15.252 -3.891 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.409 -15.256 -2.150 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.600 -12.419 -2.112 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.434 -12.998 -0.898 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -2.093 -11.518 -1.826 1.00 0.81 H new ATOM 401 N VAL A 26 0.529 -13.346 -0.360 1.00 0.24 N ATOM 402 CA VAL A 26 0.799 -13.801 0.996 1.00 0.27 C ATOM 403 C VAL A 26 0.379 -12.757 2.024 1.00 0.25 C ATOM 404 O VAL A 26 0.554 -11.556 1.813 1.00 0.25 O ATOM 405 CB VAL A 26 2.297 -14.112 1.175 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.129 -12.868 0.917 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.574 -14.672 2.562 1.00 1.03 C ATOM 0 H VAL A 26 0.907 -12.424 -0.577 1.00 0.24 H new ATOM 0 HA VAL A 26 0.216 -14.708 1.157 1.00 0.27 H new ATOM 0 HB VAL A 26 2.579 -14.872 0.447 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.185 -13.103 1.047 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.958 -12.520 -0.102 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.842 -12.086 1.620 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.639 -14.883 2.663 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.276 -13.943 3.315 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.006 -15.592 2.703 1.00 1.03 H new ATOM 417 N VAL A 27 -0.179 -13.222 3.135 1.00 0.29 N ATOM 418 CA VAL A 27 -0.619 -12.331 4.200 1.00 0.29 C ATOM 419 C VAL A 27 0.503 -12.078 5.200 1.00 0.31 C ATOM 420 O VAL A 27 1.263 -12.986 5.541 1.00 0.35 O ATOM 421 CB VAL A 27 -1.842 -12.905 4.942 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.530 -14.282 5.507 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.296 -11.960 6.043 1.00 0.91 C ATOM 0 H VAL A 27 -0.337 -14.212 3.321 1.00 0.29 H new ATOM 0 HA VAL A 27 -0.901 -11.388 3.732 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.658 -13.008 4.226 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.406 -14.669 6.027 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.263 -14.957 4.694 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -0.697 -14.208 6.206 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.160 -12.385 6.554 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.486 -11.818 6.758 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.568 -10.998 5.608 1.00 0.91 H new ATOM 433 N LEU A 28 0.600 -10.838 5.666 1.00 0.32 N ATOM 434 CA LEU A 28 1.629 -10.457 6.624 1.00 0.36 C ATOM 435 C LEU A 28 1.082 -10.487 8.050 1.00 0.40 C ATOM 436 O LEU A 28 -0.125 -10.611 8.246 1.00 0.38 O ATOM 437 CB LEU A 28 2.156 -9.055 6.295 1.00 0.35 C ATOM 438 CG LEU A 28 2.907 -8.935 4.968 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.421 -7.517 4.774 1.00 0.37 C ATOM 440 CD2 LEU A 28 4.055 -9.934 4.910 1.00 0.38 C ATOM 0 H LEU A 28 -0.024 -10.078 5.394 1.00 0.32 H new ATOM 0 HA LEU A 28 2.446 -11.175 6.555 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.315 -8.362 6.282 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.819 -8.736 7.099 1.00 0.35 H new ATOM 0 HG LEU A 28 2.214 -9.163 4.158 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.953 -7.449 3.825 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.581 -6.823 4.769 1.00 0.37 H new ATOM 0 HD13 LEU A 28 4.098 -7.261 5.589 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.577 -9.833 3.959 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.749 -9.738 5.727 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.661 -10.946 5.003 1.00 0.38 H new ATOM 452 N PRO A 29 1.961 -10.410 9.070 1.00 0.46 N ATOM 453 CA PRO A 29 1.525 -10.401 10.467 1.00 0.51 C ATOM 454 C PRO A 29 0.465 -9.332 10.712 1.00 0.47 C ATOM 455 O PRO A 29 -0.417 -9.494 11.556 1.00 0.49 O ATOM 456 CB PRO A 29 2.805 -10.077 11.240 1.00 0.59 C ATOM 457 CG PRO A 29 3.907 -10.561 10.363 1.00 0.59 C ATOM 458 CD PRO A 29 3.433 -10.357 8.950 1.00 0.50 C ATOM 0 HA PRO A 29 1.068 -11.344 10.767 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.892 -9.008 11.432 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.820 -10.577 12.208 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.827 -10.006 10.550 1.00 0.59 H new ATOM 0 HG3 PRO A 29 4.124 -11.612 10.554 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.769 -9.401 8.548 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.810 -11.133 8.284 1.00 0.50 H new ATOM 466 N SER A 30 0.557 -8.239 9.956 1.00 0.43 N ATOM 467 CA SER A 30 -0.392 -7.140 10.077 1.00 0.41 C ATOM 468 C SER A 30 -1.625 -7.378 9.206 1.00 0.36 C ATOM 469 O SER A 30 -2.629 -6.679 9.338 1.00 0.36 O ATOM 470 CB SER A 30 0.276 -5.815 9.711 1.00 0.43 C ATOM 471 OG SER A 30 1.123 -5.367 10.755 1.00 1.14 O ATOM 0 H SER A 30 1.281 -8.093 9.253 1.00 0.43 H new ATOM 0 HA SER A 30 -0.720 -7.090 11.115 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.855 -5.936 8.795 1.00 0.43 H new ATOM 0 HB3 SER A 30 -0.487 -5.063 9.509 1.00 0.43 H new ATOM 0 HG SER A 30 1.157 -4.388 10.751 1.00 1.14 H new ATOM 477 N GLY A 31 -1.548 -8.370 8.318 1.00 0.34 N ATOM 478 CA GLY A 31 -2.686 -8.694 7.474 1.00 0.31 C ATOM 479 C GLY A 31 -2.578 -8.204 6.038 1.00 0.27 C ATOM 480 O GLY A 31 -3.566 -8.236 5.306 1.00 0.30 O ATOM 0 H GLY A 31 -0.723 -8.951 8.170 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -2.816 -9.776 7.465 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.584 -8.269 7.921 1.00 0.31 H new ATOM 484 N LEU A 32 -1.394 -7.786 5.613 1.00 0.25 N ATOM 485 CA LEU A 32 -1.224 -7.279 4.252 1.00 0.25 C ATOM 486 C LEU A 32 -1.015 -8.390 3.231 1.00 0.22 C ATOM 487 O LEU A 32 -0.240 -9.320 3.448 1.00 0.23 O ATOM 488 CB LEU A 32 -0.038 -6.327 4.178 1.00 0.35 C ATOM 489 CG LEU A 32 -0.164 -5.081 5.040 1.00 0.44 C ATOM 490 CD1 LEU A 32 0.628 -5.258 6.321 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.308 -3.860 4.266 1.00 1.35 C ATOM 0 H LEU A 32 -0.546 -7.786 6.179 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.149 -6.758 4.007 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.862 -6.867 4.474 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.100 -6.021 3.141 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.210 -4.929 5.304 1.00 0.44 H new ATOM 0 HD11 LEU A 32 0.533 -4.362 6.934 1.00 1.19 H new ATOM 0 HD12 LEU A 32 0.243 -6.116 6.871 1.00 1.19 H new ATOM 0 HD13 LEU A 32 1.678 -5.423 6.080 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.213 -2.973 4.893 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.351 -3.992 3.979 1.00 1.35 H new ATOM 0 HD23 LEU A 32 -0.302 -3.738 3.371 1.00 1.35 H new ATOM 503 N GLN A 33 -1.720 -8.270 2.115 1.00 0.23 N ATOM 504 CA GLN A 33 -1.602 -9.211 1.012 1.00 0.22 C ATOM 505 C GLN A 33 -1.013 -8.469 -0.181 1.00 0.21 C ATOM 506 O GLN A 33 -1.358 -7.311 -0.418 1.00 0.21 O ATOM 507 CB GLN A 33 -2.965 -9.803 0.655 1.00 0.26 C ATOM 508 CG GLN A 33 -3.605 -10.587 1.789 1.00 0.33 C ATOM 509 CD GLN A 33 -4.942 -11.186 1.395 1.00 0.98 C ATOM 510 OE1 GLN A 33 -5.666 -10.630 0.569 1.00 1.75 O ATOM 511 NE2 GLN A 33 -5.275 -12.330 1.983 1.00 1.69 N ATOM 0 H GLN A 33 -2.389 -7.518 1.949 1.00 0.23 H new ATOM 0 HA GLN A 33 -0.952 -10.038 1.298 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.636 -8.996 0.359 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.852 -10.457 -0.209 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -2.931 -11.384 2.102 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.743 -9.931 2.648 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.645 -12.757 2.662 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -6.161 -12.782 1.755 1.00 1.69 H new ATOM 520 N TYR A 34 -0.126 -9.113 -0.929 1.00 0.20 N ATOM 521 CA TYR A 34 0.506 -8.438 -2.058 1.00 0.19 C ATOM 522 C TYR A 34 0.996 -9.398 -3.133 1.00 0.18 C ATOM 523 O TYR A 34 0.922 -10.617 -2.987 1.00 0.19 O ATOM 524 CB TYR A 34 1.683 -7.609 -1.552 1.00 0.19 C ATOM 525 CG TYR A 34 2.661 -8.406 -0.721 1.00 0.19 C ATOM 526 CD1 TYR A 34 3.684 -9.133 -1.317 1.00 0.25 C ATOM 527 CD2 TYR A 34 2.553 -8.440 0.662 1.00 0.31 C ATOM 528 CE1 TYR A 34 4.569 -9.869 -0.558 1.00 0.30 C ATOM 529 CE2 TYR A 34 3.435 -9.170 1.425 1.00 0.32 C ATOM 530 CZ TYR A 34 4.442 -9.883 0.813 1.00 0.26 C ATOM 531 OH TYR A 34 5.322 -10.617 1.575 1.00 0.31 O ATOM 0 H TYR A 34 0.168 -10.079 -0.781 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.254 -7.805 -2.517 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.208 -7.178 -2.404 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.304 -6.778 -0.957 1.00 0.19 H new ATOM 0 HD1 TYR A 34 3.788 -9.121 -2.392 1.00 0.25 H new ATOM 0 HD2 TYR A 34 1.764 -7.885 1.147 1.00 0.31 H new ATOM 0 HE1 TYR A 34 5.357 -10.431 -1.036 1.00 0.30 H new ATOM 0 HE2 TYR A 34 3.338 -9.184 2.501 1.00 0.32 H new ATOM 0 HH TYR A 34 6.183 -10.150 1.621 1.00 0.31 H new ATOM 541 N LYS A 35 1.504 -8.817 -4.217 1.00 0.18 N ATOM 542 CA LYS A 35 2.044 -9.588 -5.331 1.00 0.20 C ATOM 543 C LYS A 35 3.514 -9.212 -5.538 1.00 0.18 C ATOM 544 O LYS A 35 3.836 -8.067 -5.857 1.00 0.19 O ATOM 545 CB LYS A 35 1.238 -9.305 -6.602 1.00 0.27 C ATOM 546 CG LYS A 35 1.220 -10.459 -7.592 1.00 0.35 C ATOM 547 CD LYS A 35 0.609 -10.041 -8.920 1.00 0.99 C ATOM 548 CE LYS A 35 0.552 -11.206 -9.896 1.00 1.58 C ATOM 549 NZ LYS A 35 1.911 -11.715 -10.230 1.00 2.15 N ATOM 0 H LYS A 35 1.552 -7.806 -4.347 1.00 0.18 H new ATOM 0 HA LYS A 35 1.974 -10.653 -5.108 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.212 -9.063 -6.323 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.651 -8.424 -7.094 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.237 -10.817 -7.754 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.652 -11.290 -7.174 1.00 0.35 H new ATOM 0 HD2 LYS A 35 -0.396 -9.654 -8.754 1.00 0.99 H new ATOM 0 HD3 LYS A 35 1.195 -9.230 -9.353 1.00 0.99 H new ATOM 0 HE2 LYS A 35 -0.042 -12.012 -9.466 1.00 1.58 H new ATOM 0 HE3 LYS A 35 0.047 -10.891 -10.809 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 1.847 -12.376 -11.030 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 2.527 -10.918 -10.488 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 2.310 -12.207 -9.405 1.00 2.15 H new ATOM 563 N VAL A 36 4.396 -10.193 -5.352 1.00 0.19 N ATOM 564 CA VAL A 36 5.841 -9.983 -5.464 1.00 0.19 C ATOM 565 C VAL A 36 6.317 -9.807 -6.904 1.00 0.22 C ATOM 566 O VAL A 36 6.041 -10.635 -7.773 1.00 0.28 O ATOM 567 CB VAL A 36 6.621 -11.150 -4.828 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.114 -10.859 -4.824 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.120 -11.419 -3.419 1.00 0.30 C ATOM 0 H VAL A 36 4.133 -11.151 -5.121 1.00 0.19 H new ATOM 0 HA VAL A 36 6.040 -9.055 -4.928 1.00 0.19 H new ATOM 0 HB VAL A 36 6.452 -12.044 -5.428 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.646 -11.695 -4.371 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.460 -10.720 -5.848 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.306 -9.953 -4.250 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.682 -12.246 -2.985 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.257 -10.527 -2.808 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.062 -11.677 -3.452 1.00 0.30 H new ATOM 579 N ILE A 37 7.037 -8.710 -7.139 1.00 0.22 N ATOM 580 CA ILE A 37 7.589 -8.410 -8.456 1.00 0.26 C ATOM 581 C ILE A 37 9.096 -8.684 -8.486 1.00 0.25 C ATOM 582 O ILE A 37 9.558 -9.559 -9.216 1.00 0.30 O ATOM 583 CB ILE A 37 7.322 -6.945 -8.859 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.818 -6.657 -8.816 1.00 0.31 C ATOM 585 CG2 ILE A 37 7.885 -6.664 -10.245 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.471 -5.197 -9.018 1.00 0.65 C ATOM 0 H ILE A 37 7.252 -8.011 -6.428 1.00 0.22 H new ATOM 0 HA ILE A 37 7.090 -9.062 -9.173 1.00 0.26 H new ATOM 0 HB ILE A 37 7.823 -6.286 -8.150 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.322 -7.249 -9.585 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.422 -6.986 -7.855 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.688 -5.626 -10.514 1.00 0.37 H new ATOM 0 HG22 ILE A 37 8.961 -6.841 -10.244 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.410 -7.324 -10.971 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.389 -5.071 -8.975 1.00 0.65 H new ATOM 0 HD12 ILE A 37 5.938 -4.600 -8.234 1.00 0.65 H new ATOM 0 HD13 ILE A 37 5.836 -4.867 -9.991 1.00 0.65 H new ATOM 598 N ASN A 38 9.861 -7.931 -7.689 1.00 0.21 N ATOM 599 CA ASN A 38 11.310 -8.111 -7.620 1.00 0.22 C ATOM 600 C ASN A 38 11.843 -7.708 -6.244 1.00 0.29 C ATOM 601 O ASN A 38 12.383 -6.616 -6.076 1.00 0.44 O ATOM 602 CB ASN A 38 12.003 -7.293 -8.714 1.00 0.31 C ATOM 603 CG ASN A 38 13.516 -7.390 -8.642 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.117 -8.321 -9.178 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.140 -6.418 -7.986 1.00 0.56 N ATOM 0 H ASN A 38 9.499 -7.193 -7.085 1.00 0.21 H new ATOM 0 HA ASN A 38 11.528 -9.167 -7.778 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.666 -7.640 -9.691 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.705 -6.248 -8.626 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.157 -6.424 -7.912 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.602 -5.665 -7.557 1.00 0.56 H new ATOM 612 N SER A 39 11.677 -8.591 -5.262 1.00 0.28 N ATOM 613 CA SER A 39 12.138 -8.320 -3.901 1.00 0.37 C ATOM 614 C SER A 39 13.384 -9.127 -3.546 1.00 0.29 C ATOM 615 O SER A 39 13.553 -10.261 -3.994 1.00 0.33 O ATOM 616 CB SER A 39 11.029 -8.624 -2.896 1.00 0.58 C ATOM 617 OG SER A 39 10.627 -9.980 -2.972 1.00 1.50 O ATOM 0 H SER A 39 11.228 -9.499 -5.382 1.00 0.28 H new ATOM 0 HA SER A 39 12.399 -7.263 -3.855 1.00 0.37 H new ATOM 0 HB2 SER A 39 11.377 -8.401 -1.887 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.173 -7.977 -3.088 1.00 0.58 H new ATOM 0 HG SER A 39 10.318 -10.279 -2.092 1.00 1.50 H new ATOM 623 N GLY A 40 14.254 -8.527 -2.734 1.00 0.34 N ATOM 624 CA GLY A 40 15.468 -9.201 -2.308 1.00 0.36 C ATOM 625 C GLY A 40 16.680 -8.816 -3.132 1.00 0.50 C ATOM 626 O GLY A 40 16.877 -9.335 -4.231 1.00 1.09 O ATOM 0 H GLY A 40 14.138 -7.584 -2.364 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.658 -8.967 -1.261 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.320 -10.279 -2.372 1.00 0.36 H new ATOM 630 N ASN A 41 17.497 -7.907 -2.598 1.00 0.42 N ATOM 631 CA ASN A 41 18.700 -7.459 -3.292 1.00 0.47 C ATOM 632 C ASN A 41 19.515 -6.481 -2.442 1.00 0.37 C ATOM 633 O ASN A 41 20.662 -6.762 -2.091 1.00 0.36 O ATOM 634 CB ASN A 41 18.328 -6.808 -4.627 1.00 0.60 C ATOM 635 CG ASN A 41 17.320 -5.685 -4.470 1.00 0.82 C ATOM 636 OD1 ASN A 41 17.687 -4.514 -4.384 1.00 1.70 O ATOM 637 ND2 ASN A 41 16.040 -6.040 -4.425 1.00 0.66 N ATOM 0 H ASN A 41 17.346 -7.469 -1.689 1.00 0.42 H new ATOM 0 HA ASN A 41 19.320 -8.336 -3.476 1.00 0.47 H new ATOM 0 HB2 ASN A 41 19.229 -6.418 -5.100 1.00 0.60 H new ATOM 0 HB3 ASN A 41 17.920 -7.566 -5.295 1.00 0.60 H new ATOM 0 HD21 ASN A 41 15.317 -5.329 -4.315 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.781 -7.024 -4.500 1.00 0.66 H new ATOM 644 N GLY A 42 18.920 -5.338 -2.114 1.00 0.35 N ATOM 645 CA GLY A 42 19.617 -4.334 -1.327 1.00 0.33 C ATOM 646 C GLY A 42 19.433 -4.492 0.172 1.00 0.33 C ATOM 647 O GLY A 42 18.507 -5.156 0.635 1.00 0.34 O ATOM 0 H GLY A 42 17.967 -5.088 -2.379 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.681 -4.378 -1.559 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.267 -3.346 -1.624 1.00 0.33 H new ATOM 651 N VAL A 43 20.338 -3.871 0.921 1.00 0.32 N ATOM 652 CA VAL A 43 20.318 -3.891 2.376 1.00 0.32 C ATOM 653 C VAL A 43 19.514 -2.712 2.916 1.00 0.29 C ATOM 654 O VAL A 43 19.078 -1.859 2.144 1.00 0.28 O ATOM 655 CB VAL A 43 21.745 -3.843 2.955 1.00 0.36 C ATOM 656 CG1 VAL A 43 22.316 -5.246 3.090 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.649 -2.973 2.093 1.00 1.42 C ATOM 0 H VAL A 43 21.113 -3.335 0.530 1.00 0.32 H new ATOM 0 HA VAL A 43 19.847 -4.824 2.684 1.00 0.32 H new ATOM 0 HB VAL A 43 21.695 -3.398 3.949 1.00 0.36 H new ATOM 0 HG11 VAL A 43 23.324 -5.191 3.501 1.00 1.36 H new ATOM 0 HG12 VAL A 43 21.685 -5.833 3.757 1.00 1.36 H new ATOM 0 HG13 VAL A 43 22.349 -5.721 2.110 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.651 -2.954 2.521 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.693 -3.382 1.084 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.251 -1.959 2.056 1.00 1.42 H new ATOM 667 N LYS A 44 19.344 -2.660 4.244 1.00 0.29 N ATOM 668 CA LYS A 44 18.588 -1.583 4.902 1.00 0.28 C ATOM 669 C LYS A 44 18.201 -1.950 6.335 1.00 0.29 C ATOM 670 O LYS A 44 18.112 -3.123 6.695 1.00 0.32 O ATOM 671 CB LYS A 44 17.297 -1.269 4.135 1.00 0.29 C ATOM 672 CG LYS A 44 16.370 -2.461 3.981 1.00 0.39 C ATOM 673 CD LYS A 44 14.981 -2.029 3.542 1.00 1.17 C ATOM 674 CE LYS A 44 14.189 -1.426 4.690 1.00 1.63 C ATOM 675 NZ LYS A 44 13.875 -2.435 5.736 1.00 2.18 N ATOM 0 H LYS A 44 19.722 -3.355 4.888 1.00 0.29 H new ATOM 0 HA LYS A 44 19.246 -0.714 4.913 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.764 -0.470 4.651 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.556 -0.892 3.146 1.00 0.29 H new ATOM 0 HG2 LYS A 44 16.785 -3.155 3.250 1.00 0.39 H new ATOM 0 HG3 LYS A 44 16.304 -2.997 4.928 1.00 0.39 H new ATOM 0 HD2 LYS A 44 15.065 -1.300 2.736 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.443 -2.888 3.141 1.00 1.17 H new ATOM 0 HE2 LYS A 44 14.757 -0.608 5.133 1.00 1.63 H new ATOM 0 HE3 LYS A 44 13.262 -0.999 4.307 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 12.932 -2.244 6.130 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 13.889 -3.386 5.316 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 14.585 -2.381 6.494 1.00 2.18 H new ATOM 689 N PRO A 45 17.967 -0.911 7.166 1.00 0.29 N ATOM 690 CA PRO A 45 17.578 -1.045 8.575 1.00 0.30 C ATOM 691 C PRO A 45 16.129 -1.476 8.759 1.00 0.30 C ATOM 692 O PRO A 45 15.362 -1.559 7.801 1.00 0.29 O ATOM 693 CB PRO A 45 17.785 0.360 9.164 1.00 0.27 C ATOM 694 CG PRO A 45 18.476 1.149 8.104 1.00 0.30 C ATOM 695 CD PRO A 45 18.102 0.509 6.802 1.00 0.30 C ATOM 0 HA PRO A 45 18.170 -1.819 9.064 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.832 0.816 9.432 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.385 0.318 10.073 1.00 0.27 H new ATOM 0 HG2 PRO A 45 18.164 2.193 8.129 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.556 1.135 8.249 1.00 0.30 H new ATOM 0 HD2 PRO A 45 17.172 0.915 6.404 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.868 0.661 6.041 1.00 0.30 H new ATOM 703 N GLY A 46 15.773 -1.748 10.007 1.00 0.32 N ATOM 704 CA GLY A 46 14.424 -2.164 10.340 1.00 0.35 C ATOM 705 C GLY A 46 13.441 -1.036 10.117 1.00 0.33 C ATOM 706 O GLY A 46 13.809 -0.020 9.542 1.00 0.28 O ATOM 0 H GLY A 46 16.404 -1.687 10.806 1.00 0.32 H new ATOM 0 HA2 GLY A 46 14.143 -3.023 9.730 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.385 -2.486 11.381 1.00 0.35 H new ATOM 710 N LYS A 47 12.187 -1.228 10.526 1.00 0.37 N ATOM 711 CA LYS A 47 11.130 -0.224 10.327 1.00 0.37 C ATOM 712 C LYS A 47 11.597 1.216 10.598 1.00 0.34 C ATOM 713 O LYS A 47 10.901 2.167 10.244 1.00 0.35 O ATOM 714 CB LYS A 47 9.933 -0.547 11.222 1.00 0.44 C ATOM 715 CG LYS A 47 10.281 -0.614 12.699 1.00 0.99 C ATOM 716 CD LYS A 47 9.058 -0.929 13.545 1.00 0.94 C ATOM 717 CE LYS A 47 9.406 -1.001 15.023 1.00 1.85 C ATOM 718 NZ LYS A 47 10.411 -2.062 15.306 1.00 2.35 N ATOM 0 H LYS A 47 11.872 -2.074 11.001 1.00 0.37 H new ATOM 0 HA LYS A 47 10.849 -0.274 9.275 1.00 0.37 H new ATOM 0 HB2 LYS A 47 9.163 0.210 11.072 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.506 -1.501 10.914 1.00 0.44 H new ATOM 0 HG2 LYS A 47 11.043 -1.377 12.860 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.710 0.337 13.017 1.00 0.99 H new ATOM 0 HD2 LYS A 47 8.298 -0.164 13.386 1.00 0.94 H new ATOM 0 HD3 LYS A 47 8.628 -1.878 13.225 1.00 0.94 H new ATOM 0 HE2 LYS A 47 9.794 -0.037 15.352 1.00 1.85 H new ATOM 0 HE3 LYS A 47 8.502 -1.195 15.600 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 10.447 -2.242 16.330 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 10.142 -2.936 14.810 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 11.347 -1.750 14.976 1.00 2.35 H new ATOM 732 N SER A 48 12.760 1.383 11.221 1.00 0.31 N ATOM 733 CA SER A 48 13.295 2.716 11.493 1.00 0.31 C ATOM 734 C SER A 48 14.091 3.228 10.287 1.00 0.27 C ATOM 735 O SER A 48 14.746 4.269 10.354 1.00 0.29 O ATOM 736 CB SER A 48 14.186 2.691 12.737 1.00 0.32 C ATOM 737 OG SER A 48 13.455 2.286 13.881 1.00 1.45 O ATOM 0 H SER A 48 13.349 0.616 11.546 1.00 0.31 H new ATOM 0 HA SER A 48 12.459 3.391 11.675 1.00 0.31 H new ATOM 0 HB2 SER A 48 15.022 2.010 12.576 1.00 0.32 H new ATOM 0 HB3 SER A 48 14.610 3.681 12.904 1.00 0.32 H new ATOM 0 HG SER A 48 14.048 2.277 14.661 1.00 1.45 H new ATOM 743 N ASP A 49 14.021 2.478 9.190 1.00 0.25 N ATOM 744 CA ASP A 49 14.728 2.813 7.953 1.00 0.24 C ATOM 745 C ASP A 49 14.013 3.918 7.178 1.00 0.23 C ATOM 746 O ASP A 49 12.824 4.166 7.383 1.00 0.29 O ATOM 747 CB ASP A 49 14.830 1.571 7.070 1.00 0.26 C ATOM 748 CG ASP A 49 13.484 1.142 6.521 1.00 0.74 C ATOM 749 OD1 ASP A 49 13.054 1.706 5.492 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.857 0.243 7.119 1.00 1.73 O ATOM 0 H ASP A 49 13.473 1.620 9.132 1.00 0.25 H new ATOM 0 HA ASP A 49 15.722 3.171 8.223 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.510 1.772 6.242 1.00 0.26 H new ATOM 0 HB3 ASP A 49 15.262 0.753 7.646 1.00 0.26 H new ATOM 755 N THR A 50 14.749 4.573 6.285 1.00 0.26 N ATOM 756 CA THR A 50 14.202 5.637 5.452 1.00 0.28 C ATOM 757 C THR A 50 14.494 5.317 3.992 1.00 0.33 C ATOM 758 O THR A 50 15.656 5.205 3.603 1.00 0.44 O ATOM 759 CB THR A 50 14.819 7.003 5.806 1.00 0.36 C ATOM 760 OG1 THR A 50 14.649 7.268 7.203 1.00 0.39 O ATOM 761 CG2 THR A 50 14.178 8.117 4.993 1.00 0.42 C ATOM 0 H THR A 50 15.737 4.382 6.119 1.00 0.26 H new ATOM 0 HA THR A 50 13.128 5.696 5.627 1.00 0.28 H new ATOM 0 HB THR A 50 15.882 6.968 5.567 1.00 0.36 H new ATOM 0 HG1 THR A 50 15.045 8.137 7.422 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.631 9.071 5.262 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.333 7.928 3.931 1.00 0.42 H new ATOM 0 HG23 THR A 50 13.109 8.152 5.203 1.00 0.42 H new ATOM 769 N VAL A 51 13.453 5.170 3.183 1.00 0.29 N ATOM 770 CA VAL A 51 13.646 4.834 1.778 1.00 0.37 C ATOM 771 C VAL A 51 12.868 5.755 0.852 1.00 0.30 C ATOM 772 O VAL A 51 11.814 6.279 1.213 1.00 0.29 O ATOM 773 CB VAL A 51 13.229 3.377 1.493 1.00 0.51 C ATOM 774 CG1 VAL A 51 14.025 2.413 2.359 1.00 0.65 C ATOM 775 CG2 VAL A 51 11.734 3.193 1.713 1.00 0.53 C ATOM 0 H VAL A 51 12.480 5.276 3.469 1.00 0.29 H new ATOM 0 HA VAL A 51 14.710 4.960 1.580 1.00 0.37 H new ATOM 0 HB VAL A 51 13.448 3.156 0.448 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.716 1.390 2.143 1.00 0.65 H new ATOM 0 HG12 VAL A 51 15.088 2.524 2.145 1.00 0.65 H new ATOM 0 HG13 VAL A 51 13.842 2.633 3.411 1.00 0.65 H new ATOM 0 HG21 VAL A 51 11.460 2.158 1.507 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.486 3.435 2.747 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.184 3.854 1.044 1.00 0.53 H new ATOM 785 N THR A 52 13.404 5.944 -0.348 1.00 0.27 N ATOM 786 CA THR A 52 12.763 6.777 -1.351 1.00 0.23 C ATOM 787 C THR A 52 12.281 5.903 -2.496 1.00 0.19 C ATOM 788 O THR A 52 13.074 5.207 -3.130 1.00 0.17 O ATOM 789 CB THR A 52 13.728 7.844 -1.901 1.00 0.26 C ATOM 790 OG1 THR A 52 14.263 8.624 -0.825 1.00 0.32 O ATOM 791 CG2 THR A 52 13.021 8.758 -2.891 1.00 0.26 C ATOM 0 H THR A 52 14.286 5.528 -0.648 1.00 0.27 H new ATOM 0 HA THR A 52 11.923 7.287 -0.880 1.00 0.23 H new ATOM 0 HB THR A 52 14.540 7.332 -2.418 1.00 0.26 H new ATOM 0 HG1 THR A 52 14.877 9.299 -1.184 1.00 0.32 H new ATOM 0 HG21 THR A 52 13.724 9.503 -3.265 1.00 0.26 H new ATOM 0 HG22 THR A 52 12.641 8.167 -3.724 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.191 9.260 -2.394 1.00 0.26 H new ATOM 799 N VAL A 53 10.983 5.936 -2.761 1.00 0.19 N ATOM 800 CA VAL A 53 10.412 5.123 -3.823 1.00 0.18 C ATOM 801 C VAL A 53 9.383 5.898 -4.637 1.00 0.19 C ATOM 802 O VAL A 53 9.091 7.056 -4.354 1.00 0.23 O ATOM 803 CB VAL A 53 9.749 3.852 -3.249 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.656 3.191 -2.223 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.391 4.173 -2.639 1.00 0.24 C ATOM 0 H VAL A 53 10.309 6.514 -2.258 1.00 0.19 H new ATOM 0 HA VAL A 53 11.235 4.840 -4.479 1.00 0.18 H new ATOM 0 HB VAL A 53 9.592 3.153 -4.070 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.171 2.297 -1.830 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.599 2.914 -2.695 1.00 0.22 H new ATOM 0 HG13 VAL A 53 10.850 3.887 -1.407 1.00 0.22 H new ATOM 0 HG21 VAL A 53 7.946 3.261 -2.242 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.516 4.896 -1.833 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.738 4.592 -3.405 1.00 0.24 H new ATOM 815 N GLU A 54 8.848 5.238 -5.656 1.00 0.18 N ATOM 816 CA GLU A 54 7.840 5.829 -6.525 1.00 0.20 C ATOM 817 C GLU A 54 6.621 4.919 -6.593 1.00 0.20 C ATOM 818 O GLU A 54 6.761 3.710 -6.783 1.00 0.21 O ATOM 819 CB GLU A 54 8.409 6.040 -7.929 1.00 0.24 C ATOM 820 CG GLU A 54 9.245 7.300 -8.071 1.00 1.02 C ATOM 821 CD GLU A 54 9.973 7.370 -9.399 1.00 1.76 C ATOM 822 OE1 GLU A 54 11.105 6.850 -9.485 1.00 2.09 O ATOM 823 OE2 GLU A 54 9.411 7.945 -10.356 1.00 2.40 O ATOM 0 H GLU A 54 9.100 4.281 -5.903 1.00 0.18 H new ATOM 0 HA GLU A 54 7.546 6.796 -6.116 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.020 5.178 -8.196 1.00 0.24 H new ATOM 0 HB3 GLU A 54 7.586 6.080 -8.642 1.00 0.24 H new ATOM 0 HG2 GLU A 54 8.600 8.173 -7.968 1.00 1.02 H new ATOM 0 HG3 GLU A 54 9.972 7.343 -7.260 1.00 1.02 H new ATOM 830 N TYR A 55 5.428 5.485 -6.438 1.00 0.19 N ATOM 831 CA TYR A 55 4.221 4.673 -6.481 1.00 0.20 C ATOM 832 C TYR A 55 3.060 5.407 -7.126 1.00 0.19 C ATOM 833 O TYR A 55 3.040 6.635 -7.214 1.00 0.21 O ATOM 834 CB TYR A 55 3.815 4.220 -5.074 1.00 0.21 C ATOM 835 CG TYR A 55 3.050 5.260 -4.279 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.675 6.414 -3.824 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.700 5.083 -3.979 1.00 0.20 C ATOM 838 CE1 TYR A 55 2.981 7.363 -3.096 1.00 0.24 C ATOM 839 CE2 TYR A 55 0.999 6.028 -3.251 1.00 0.21 C ATOM 840 CZ TYR A 55 1.644 7.166 -2.813 1.00 0.22 C ATOM 841 OH TYR A 55 0.952 8.109 -2.087 1.00 0.26 O ATOM 0 H TYR A 55 5.274 6.482 -6.285 1.00 0.19 H new ATOM 0 HA TYR A 55 4.455 3.801 -7.092 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.204 3.321 -5.157 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.713 3.945 -4.521 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.721 6.573 -4.042 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.193 4.193 -4.321 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.483 8.255 -2.750 1.00 0.24 H new ATOM 0 HE2 TYR A 55 -0.046 5.876 -3.027 1.00 0.21 H new ATOM 0 HH TYR A 55 0.022 7.819 -1.976 1.00 0.26 H new ATOM 851 N THR A 56 2.098 4.621 -7.573 1.00 0.18 N ATOM 852 CA THR A 56 0.892 5.141 -8.189 1.00 0.17 C ATOM 853 C THR A 56 -0.306 4.587 -7.440 1.00 0.14 C ATOM 854 O THR A 56 -0.578 3.388 -7.495 1.00 0.15 O ATOM 855 CB THR A 56 0.795 4.751 -9.676 1.00 0.21 C ATOM 856 OG1 THR A 56 1.960 5.200 -10.378 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.450 5.349 -10.317 1.00 0.21 C ATOM 0 H THR A 56 2.131 3.603 -7.519 1.00 0.18 H new ATOM 0 HA THR A 56 0.915 6.229 -8.136 1.00 0.17 H new ATOM 0 HB THR A 56 0.729 3.665 -9.737 1.00 0.21 H new ATOM 0 HG1 THR A 56 2.758 4.786 -9.987 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.494 5.058 -11.367 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.337 4.982 -9.801 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.411 6.436 -10.243 1.00 0.21 H new ATOM 865 N GLY A 57 -1.021 5.456 -6.742 1.00 0.12 N ATOM 866 CA GLY A 57 -2.159 5.000 -5.977 1.00 0.11 C ATOM 867 C GLY A 57 -3.476 5.463 -6.541 1.00 0.10 C ATOM 868 O GLY A 57 -3.599 6.592 -7.016 1.00 0.10 O ATOM 0 H GLY A 57 -0.836 6.458 -6.692 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -2.150 3.911 -5.939 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -2.065 5.356 -4.951 1.00 0.11 H new ATOM 872 N ARG A 58 -4.464 4.584 -6.490 1.00 0.12 N ATOM 873 CA ARG A 58 -5.793 4.907 -6.983 1.00 0.13 C ATOM 874 C ARG A 58 -6.848 4.185 -6.160 1.00 0.15 C ATOM 875 O ARG A 58 -6.640 3.054 -5.722 1.00 0.19 O ATOM 876 CB ARG A 58 -5.918 4.528 -8.462 1.00 0.18 C ATOM 877 CG ARG A 58 -5.701 3.047 -8.739 1.00 0.90 C ATOM 878 CD ARG A 58 -7.004 2.265 -8.663 1.00 0.40 C ATOM 879 NE ARG A 58 -6.818 0.854 -8.994 1.00 1.00 N ATOM 880 CZ ARG A 58 -7.774 0.087 -9.508 1.00 0.99 C ATOM 881 NH1 ARG A 58 -8.977 0.593 -9.744 1.00 0.89 N ATOM 882 NH2 ARG A 58 -7.528 -1.186 -9.788 1.00 1.93 N ATOM 0 H ARG A 58 -4.371 3.641 -6.112 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.951 5.981 -6.886 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.908 4.813 -8.818 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.194 5.105 -9.037 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -5.259 2.922 -9.727 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -4.991 2.642 -8.018 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -7.419 2.350 -7.659 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.731 2.705 -9.346 1.00 0.40 H new ATOM 0 HE ARG A 58 -5.904 0.435 -8.821 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -9.169 1.572 -9.531 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -9.710 0.003 -10.139 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -6.604 -1.578 -9.609 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -8.263 -1.773 -10.182 1.00 1.93 H new ATOM 896 N LEU A 59 -7.993 4.830 -5.987 1.00 0.16 N ATOM 897 CA LEU A 59 -9.086 4.253 -5.217 1.00 0.19 C ATOM 898 C LEU A 59 -9.753 3.134 -6.001 1.00 0.20 C ATOM 899 O LEU A 59 -9.561 3.021 -7.211 1.00 0.22 O ATOM 900 CB LEU A 59 -10.124 5.330 -4.881 1.00 0.22 C ATOM 901 CG LEU A 59 -9.568 6.747 -4.699 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.441 7.758 -5.428 1.00 1.21 C ATOM 903 CD2 LEU A 59 -9.472 7.099 -3.224 1.00 1.07 C ATOM 0 H LEU A 59 -8.189 5.755 -6.370 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.677 3.846 -4.292 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.871 5.350 -5.675 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.640 5.040 -3.965 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.566 6.779 -5.127 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -10.032 8.759 -5.289 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -10.463 7.520 -6.491 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.454 7.720 -5.027 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -9.075 8.108 -3.116 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -10.463 7.048 -2.773 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.809 6.393 -2.724 1.00 1.07 H new ATOM 915 N ILE A 60 -10.527 2.303 -5.309 1.00 0.25 N ATOM 916 CA ILE A 60 -11.238 1.214 -5.963 1.00 0.28 C ATOM 917 C ILE A 60 -12.174 1.782 -7.024 1.00 0.29 C ATOM 918 O ILE A 60 -12.720 1.053 -7.854 1.00 0.32 O ATOM 919 CB ILE A 60 -12.049 0.373 -4.949 1.00 0.34 C ATOM 920 CG1 ILE A 60 -12.687 -0.844 -5.629 1.00 0.64 C ATOM 921 CG2 ILE A 60 -13.116 1.227 -4.281 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.682 -1.792 -6.247 1.00 0.52 C ATOM 0 H ILE A 60 -10.676 2.364 -4.302 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.501 0.559 -6.427 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.361 0.012 -4.184 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -13.283 -1.388 -4.896 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -13.372 -0.499 -6.404 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.677 0.619 -3.571 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -12.642 2.055 -3.755 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.795 1.619 -5.038 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.207 -2.628 -6.709 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -11.102 -1.264 -7.004 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -11.012 -2.167 -5.473 1.00 0.52 H new ATOM 934 N ASP A 61 -12.336 3.102 -6.992 1.00 0.30 N ATOM 935 CA ASP A 61 -13.202 3.799 -7.939 1.00 0.36 C ATOM 936 C ASP A 61 -12.583 3.819 -9.332 1.00 0.36 C ATOM 937 O ASP A 61 -13.249 4.158 -10.311 1.00 0.42 O ATOM 938 CB ASP A 61 -13.466 5.230 -7.465 1.00 0.40 C ATOM 939 CG ASP A 61 -14.138 5.275 -6.107 1.00 1.07 C ATOM 940 OD1 ASP A 61 -13.419 5.241 -5.087 1.00 2.01 O ATOM 941 OD2 ASP A 61 -15.385 5.347 -6.065 1.00 0.95 O ATOM 0 H ASP A 61 -11.876 3.713 -6.317 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.148 3.260 -7.990 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -12.523 5.774 -7.419 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -14.094 5.742 -8.195 1.00 0.40 H new ATOM 946 N GLY A 62 -11.305 3.460 -9.417 1.00 0.31 N ATOM 947 CA GLY A 62 -10.626 3.444 -10.699 1.00 0.37 C ATOM 948 C GLY A 62 -9.963 4.767 -11.033 1.00 0.38 C ATOM 949 O GLY A 62 -9.334 4.902 -12.082 1.00 0.45 O ATOM 0 H GLY A 62 -10.729 3.181 -8.623 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -9.872 2.657 -10.695 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.343 3.195 -11.481 1.00 0.37 H new ATOM 953 N THR A 63 -10.101 5.748 -10.143 1.00 0.33 N ATOM 954 CA THR A 63 -9.533 7.063 -10.365 1.00 0.37 C ATOM 955 C THR A 63 -8.370 7.327 -9.420 1.00 0.31 C ATOM 956 O THR A 63 -8.491 7.161 -8.206 1.00 0.30 O ATOM 957 CB THR A 63 -10.600 8.158 -10.176 1.00 0.44 C ATOM 958 OG1 THR A 63 -11.619 8.028 -11.176 1.00 1.40 O ATOM 959 CG2 THR A 63 -9.978 9.539 -10.255 1.00 1.28 C ATOM 0 H THR A 63 -10.604 5.650 -9.261 1.00 0.33 H new ATOM 0 HA THR A 63 -9.167 7.089 -11.391 1.00 0.37 H new ATOM 0 HB THR A 63 -11.044 8.034 -9.188 1.00 0.44 H new ATOM 0 HG1 THR A 63 -12.294 8.727 -11.048 1.00 1.40 H new ATOM 0 HG21 THR A 63 -10.752 10.295 -10.119 1.00 1.28 H new ATOM 0 HG22 THR A 63 -9.226 9.644 -9.473 1.00 1.28 H new ATOM 0 HG23 THR A 63 -9.509 9.672 -11.230 1.00 1.28 H new ATOM 967 N VAL A 64 -7.242 7.739 -9.987 1.00 0.28 N ATOM 968 CA VAL A 64 -6.059 8.037 -9.205 1.00 0.22 C ATOM 969 C VAL A 64 -6.349 9.166 -8.228 1.00 0.20 C ATOM 970 O VAL A 64 -6.892 10.205 -8.605 1.00 0.23 O ATOM 971 CB VAL A 64 -4.873 8.429 -10.114 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.259 9.569 -11.043 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.653 8.799 -9.285 1.00 0.18 C ATOM 0 H VAL A 64 -7.127 7.873 -10.992 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.787 7.138 -8.652 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.616 7.564 -10.725 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.409 9.828 -11.674 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.095 9.260 -11.670 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.550 10.437 -10.452 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.832 9.071 -9.948 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.894 9.644 -8.640 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.358 7.947 -8.672 1.00 0.18 H new ATOM 983 N PHE A 65 -5.989 8.953 -6.973 1.00 0.18 N ATOM 984 CA PHE A 65 -6.215 9.959 -5.945 1.00 0.20 C ATOM 985 C PHE A 65 -4.952 10.785 -5.703 1.00 0.20 C ATOM 986 O PHE A 65 -5.022 11.909 -5.203 1.00 0.24 O ATOM 987 CB PHE A 65 -6.712 9.297 -4.640 1.00 0.21 C ATOM 988 CG PHE A 65 -5.768 8.317 -3.978 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.534 7.995 -4.520 1.00 0.15 C ATOM 990 CD2 PHE A 65 -6.127 7.733 -2.779 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.681 7.121 -3.882 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.282 6.851 -2.143 1.00 0.18 C ATOM 993 CZ PHE A 65 -4.054 6.544 -2.693 1.00 0.17 C ATOM 0 H PHE A 65 -5.542 8.098 -6.641 1.00 0.18 H new ATOM 0 HA PHE A 65 -6.991 10.640 -6.294 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.942 10.086 -3.924 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.646 8.779 -4.855 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.236 8.437 -5.459 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -7.082 7.971 -2.335 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.720 6.890 -4.317 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.582 6.398 -1.210 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.391 5.855 -2.192 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.803 10.221 -6.068 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.527 10.895 -5.908 1.00 0.19 C ATOM 1005 C ASP A 66 -1.400 10.057 -6.504 1.00 0.17 C ATOM 1006 O ASP A 66 -1.273 8.869 -6.206 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.245 11.181 -4.430 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.895 11.838 -4.213 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -0.827 13.085 -4.253 1.00 0.30 O ATOM 1010 OD2 ASP A 66 0.094 11.105 -4.002 1.00 0.30 O ATOM 0 H ASP A 66 -3.735 9.290 -6.480 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.578 11.844 -6.441 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.028 11.827 -4.032 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.286 10.248 -3.868 1.00 0.25 H new ATOM 1015 N SER A 67 -0.585 10.681 -7.342 1.00 0.17 N ATOM 1016 CA SER A 67 0.538 9.997 -7.972 1.00 0.19 C ATOM 1017 C SER A 67 1.808 10.831 -7.850 1.00 0.18 C ATOM 1018 O SER A 67 1.852 11.977 -8.297 1.00 0.22 O ATOM 1019 CB SER A 67 0.229 9.719 -9.444 1.00 0.25 C ATOM 1020 OG SER A 67 -0.185 10.900 -10.109 1.00 1.30 O ATOM 0 H SER A 67 -0.680 11.663 -7.603 1.00 0.17 H new ATOM 0 HA SER A 67 0.696 9.048 -7.460 1.00 0.19 H new ATOM 0 HB2 SER A 67 1.114 9.313 -9.934 1.00 0.25 H new ATOM 0 HB3 SER A 67 -0.552 8.963 -9.518 1.00 0.25 H new ATOM 0 HG SER A 67 -0.526 10.672 -10.999 1.00 1.30 H new ATOM 1026 N THR A 68 2.841 10.252 -7.241 1.00 0.19 N ATOM 1027 CA THR A 68 4.103 10.962 -7.059 1.00 0.21 C ATOM 1028 C THR A 68 4.927 10.958 -8.341 1.00 0.28 C ATOM 1029 O THR A 68 5.697 11.883 -8.597 1.00 0.34 O ATOM 1030 CB THR A 68 4.932 10.351 -5.912 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.292 9.001 -6.232 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.140 10.374 -4.613 1.00 0.28 C ATOM 0 H THR A 68 2.829 9.302 -6.869 1.00 0.19 H new ATOM 0 HA THR A 68 3.854 11.991 -6.801 1.00 0.21 H new ATOM 0 HB THR A 68 5.837 10.945 -5.785 1.00 0.20 H new ATOM 0 HG1 THR A 68 6.214 8.832 -5.946 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.740 9.939 -3.813 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.888 11.404 -4.359 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.224 9.796 -4.735 1.00 0.28 H new ATOM 1040 N GLU A 69 4.756 9.920 -9.151 1.00 0.42 N ATOM 1041 CA GLU A 69 5.488 9.805 -10.406 1.00 0.56 C ATOM 1042 C GLU A 69 5.008 10.845 -11.414 1.00 0.66 C ATOM 1043 O GLU A 69 5.780 11.313 -12.251 1.00 0.75 O ATOM 1044 CB GLU A 69 5.327 8.400 -10.990 1.00 0.75 C ATOM 1045 CG GLU A 69 5.849 7.302 -10.078 1.00 1.17 C ATOM 1046 CD GLU A 69 5.776 5.931 -10.719 1.00 1.66 C ATOM 1047 OE1 GLU A 69 6.730 5.557 -11.432 1.00 2.11 O ATOM 1048 OE2 GLU A 69 4.764 5.230 -10.508 1.00 2.05 O ATOM 0 H GLU A 69 4.118 9.147 -8.961 1.00 0.42 H new ATOM 0 HA GLU A 69 6.543 9.985 -10.199 1.00 0.56 H new ATOM 0 HB2 GLU A 69 4.272 8.219 -11.196 1.00 0.75 H new ATOM 0 HB3 GLU A 69 5.852 8.349 -11.944 1.00 0.75 H new ATOM 0 HG2 GLU A 69 6.883 7.519 -9.809 1.00 1.17 H new ATOM 0 HG3 GLU A 69 5.273 7.298 -9.153 1.00 1.17 H new ATOM 1055 N LYS A 70 3.730 11.202 -11.326 1.00 0.69 N ATOM 1056 CA LYS A 70 3.145 12.185 -12.232 1.00 0.84 C ATOM 1057 C LYS A 70 3.664 13.586 -11.927 1.00 0.85 C ATOM 1058 O LYS A 70 3.972 14.354 -12.841 1.00 1.01 O ATOM 1059 CB LYS A 70 1.617 12.153 -12.134 1.00 0.91 C ATOM 1060 CG LYS A 70 0.918 13.126 -13.071 1.00 1.63 C ATOM 1061 CD LYS A 70 1.171 12.781 -14.531 1.00 1.87 C ATOM 1062 CE LYS A 70 0.490 13.772 -15.463 1.00 2.76 C ATOM 1063 NZ LYS A 70 1.001 15.157 -15.270 1.00 3.41 N ATOM 0 H LYS A 70 3.080 10.825 -10.636 1.00 0.69 H new ATOM 0 HA LYS A 70 3.440 11.927 -13.249 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.270 11.143 -12.351 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.324 12.378 -11.108 1.00 0.91 H new ATOM 0 HG2 LYS A 70 -0.154 13.114 -12.875 1.00 1.63 H new ATOM 0 HG3 LYS A 70 1.267 14.139 -12.871 1.00 1.63 H new ATOM 0 HD2 LYS A 70 2.244 12.776 -14.724 1.00 1.87 H new ATOM 0 HD3 LYS A 70 0.805 11.775 -14.737 1.00 1.87 H new ATOM 0 HE2 LYS A 70 0.650 13.467 -16.497 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -0.586 13.754 -15.288 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 0.712 15.749 -16.075 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 0.610 15.552 -14.391 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 2.039 15.139 -15.209 1.00 3.41 H new ATOM 1077 N THR A 71 3.757 13.917 -10.642 1.00 0.73 N ATOM 1078 CA THR A 71 4.245 15.228 -10.226 1.00 0.82 C ATOM 1079 C THR A 71 5.664 15.466 -10.729 1.00 0.82 C ATOM 1080 O THR A 71 6.129 16.604 -10.795 1.00 0.97 O ATOM 1081 CB THR A 71 4.227 15.382 -8.693 1.00 0.76 C ATOM 1082 OG1 THR A 71 4.985 14.331 -8.084 1.00 1.25 O ATOM 1083 CG2 THR A 71 2.801 15.358 -8.162 1.00 1.47 C ATOM 0 H THR A 71 3.502 13.297 -9.873 1.00 0.73 H new ATOM 0 HA THR A 71 3.573 15.966 -10.663 1.00 0.82 H new ATOM 0 HB THR A 71 4.675 16.344 -8.443 1.00 0.76 H new ATOM 0 HG1 THR A 71 5.077 13.586 -8.715 1.00 1.25 H new ATOM 0 HG21 THR A 71 2.815 15.468 -7.078 1.00 1.47 H new ATOM 0 HG22 THR A 71 2.235 16.178 -8.603 1.00 1.47 H new ATOM 0 HG23 THR A 71 2.331 14.410 -8.424 1.00 1.47 H new ATOM 1091 N GLY A 72 6.347 14.381 -11.084 1.00 0.69 N ATOM 1092 CA GLY A 72 7.705 14.485 -11.580 1.00 0.70 C ATOM 1093 C GLY A 72 8.738 14.344 -10.482 1.00 0.60 C ATOM 1094 O GLY A 72 9.938 14.457 -10.734 1.00 0.60 O ATOM 0 H GLY A 72 5.981 13.430 -11.036 1.00 0.69 H new ATOM 0 HA2 GLY A 72 7.873 13.715 -12.333 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.835 15.448 -12.074 1.00 0.70 H new ATOM 1098 N LYS A 73 8.277 14.094 -9.260 1.00 0.54 N ATOM 1099 CA LYS A 73 9.172 13.939 -8.126 1.00 0.49 C ATOM 1100 C LYS A 73 8.914 12.622 -7.411 1.00 0.40 C ATOM 1101 O LYS A 73 7.769 12.207 -7.245 1.00 0.43 O ATOM 1102 CB LYS A 73 9.007 15.107 -7.156 1.00 0.60 C ATOM 1103 CG LYS A 73 7.629 15.178 -6.516 1.00 1.47 C ATOM 1104 CD LYS A 73 7.541 16.313 -5.509 1.00 1.89 C ATOM 1105 CE LYS A 73 6.232 16.275 -4.737 1.00 2.37 C ATOM 1106 NZ LYS A 73 5.052 16.379 -5.639 1.00 3.05 N ATOM 0 H LYS A 73 7.287 13.995 -9.033 1.00 0.54 H new ATOM 0 HA LYS A 73 10.196 13.933 -8.498 1.00 0.49 H new ATOM 0 HB2 LYS A 73 9.759 15.025 -6.371 1.00 0.60 H new ATOM 0 HB3 LYS A 73 9.200 16.039 -7.687 1.00 0.60 H new ATOM 0 HG2 LYS A 73 6.874 15.317 -7.290 1.00 1.47 H new ATOM 0 HG3 LYS A 73 7.407 14.233 -6.021 1.00 1.47 H new ATOM 0 HD2 LYS A 73 8.377 16.248 -4.813 1.00 1.89 H new ATOM 0 HD3 LYS A 73 7.631 17.268 -6.027 1.00 1.89 H new ATOM 0 HE2 LYS A 73 6.173 15.347 -4.168 1.00 2.37 H new ATOM 0 HE3 LYS A 73 6.212 17.093 -4.017 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 4.200 16.570 -5.075 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 5.200 17.154 -6.316 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 4.931 15.485 -6.157 1.00 3.05 H new ATOM 1120 N PRO A 74 9.985 11.949 -6.966 1.00 0.33 N ATOM 1121 CA PRO A 74 9.873 10.667 -6.277 1.00 0.29 C ATOM 1122 C PRO A 74 9.292 10.815 -4.878 1.00 0.24 C ATOM 1123 O PRO A 74 9.315 11.901 -4.298 1.00 0.27 O ATOM 1124 CB PRO A 74 11.318 10.185 -6.227 1.00 0.33 C ATOM 1125 CG PRO A 74 12.117 11.435 -6.179 1.00 0.51 C ATOM 1126 CD PRO A 74 11.389 12.397 -7.071 1.00 0.38 C ATOM 0 HA PRO A 74 9.198 9.975 -6.781 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.500 9.562 -5.351 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.568 9.586 -7.102 1.00 0.33 H new ATOM 0 HG2 PRO A 74 12.189 11.818 -5.161 1.00 0.51 H new ATOM 0 HG3 PRO A 74 13.135 11.266 -6.529 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.510 13.428 -6.737 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.752 12.350 -8.098 1.00 0.38 H new ATOM 1134 N ALA A 75 8.777 9.717 -4.340 1.00 0.21 N ATOM 1135 CA ALA A 75 8.189 9.723 -3.018 1.00 0.19 C ATOM 1136 C ALA A 75 9.216 9.320 -1.965 1.00 0.18 C ATOM 1137 O ALA A 75 9.831 8.261 -2.062 1.00 0.19 O ATOM 1138 CB ALA A 75 7.005 8.778 -2.986 1.00 0.23 C ATOM 0 H ALA A 75 8.757 8.810 -4.806 1.00 0.21 H new ATOM 0 HA ALA A 75 7.851 10.734 -2.789 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.562 8.783 -1.990 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.262 9.101 -3.715 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.338 7.769 -3.230 1.00 0.23 H new ATOM 1144 N THR A 76 9.400 10.171 -0.962 1.00 0.18 N ATOM 1145 CA THR A 76 10.356 9.893 0.105 1.00 0.18 C ATOM 1146 C THR A 76 9.690 9.992 1.473 1.00 0.21 C ATOM 1147 O THR A 76 9.189 11.049 1.860 1.00 0.26 O ATOM 1148 CB THR A 76 11.556 10.857 0.050 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.386 10.673 1.203 1.00 1.15 O ATOM 1150 CG2 THR A 76 11.092 12.305 -0.020 1.00 1.26 C ATOM 0 H THR A 76 8.902 11.056 -0.865 1.00 0.18 H new ATOM 0 HA THR A 76 10.717 8.876 -0.045 1.00 0.18 H new ATOM 0 HB THR A 76 12.128 10.634 -0.851 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.147 11.288 1.160 1.00 1.15 H new ATOM 0 HG21 THR A 76 11.960 12.964 -0.058 1.00 1.26 H new ATOM 0 HG22 THR A 76 10.487 12.450 -0.915 1.00 1.26 H new ATOM 0 HG23 THR A 76 10.497 12.539 0.863 1.00 1.26 H new ATOM 1158 N PHE A 77 9.680 8.881 2.200 1.00 0.20 N ATOM 1159 CA PHE A 77 9.068 8.843 3.523 1.00 0.26 C ATOM 1160 C PHE A 77 9.629 7.704 4.368 1.00 0.26 C ATOM 1161 O PHE A 77 10.102 6.696 3.840 1.00 0.29 O ATOM 1162 CB PHE A 77 7.552 8.677 3.388 1.00 0.28 C ATOM 1163 CG PHE A 77 7.152 7.435 2.639 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.158 7.414 1.253 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.775 6.287 3.321 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.795 6.274 0.560 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.410 5.145 2.633 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.421 5.139 1.252 1.00 0.34 C ATOM 0 H PHE A 77 10.088 7.996 1.897 1.00 0.20 H new ATOM 0 HA PHE A 77 9.298 9.784 4.024 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.107 8.652 4.383 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.142 9.548 2.877 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.450 8.299 0.708 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.767 6.286 4.401 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.804 6.271 -0.520 1.00 0.29 H new ATOM 0 HE2 PHE A 77 6.116 4.258 3.175 1.00 0.36 H new ATOM 0 HZ PHE A 77 6.137 4.247 0.713 1.00 0.34 H new ATOM 1178 N GLN A 78 9.569 7.876 5.685 1.00 0.30 N ATOM 1179 CA GLN A 78 10.042 6.858 6.617 1.00 0.36 C ATOM 1180 C GLN A 78 8.958 5.797 6.783 1.00 0.31 C ATOM 1181 O GLN A 78 7.796 6.120 7.030 1.00 0.35 O ATOM 1182 CB GLN A 78 10.373 7.496 7.969 1.00 0.52 C ATOM 1183 CG GLN A 78 11.776 7.191 8.469 1.00 1.03 C ATOM 1184 CD GLN A 78 11.821 6.010 9.421 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.928 5.050 9.222 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 12.653 5.962 10.326 1.00 1.00 N flip ATOM 0 H GLN A 78 9.196 8.714 6.132 1.00 0.30 H new ATOM 0 HA GLN A 78 10.948 6.394 6.226 1.00 0.36 H new ATOM 0 HB2 GLN A 78 10.254 8.576 7.888 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.651 7.150 8.709 1.00 0.52 H new ATOM 0 HG2 GLN A 78 12.424 6.988 7.616 1.00 1.03 H new ATOM 0 HG3 GLN A 78 12.176 8.071 8.971 1.00 1.03 H new ATOM 0 HE21 GLN A 78 13.323 6.722 10.444 1.00 1.00 H new ATOM 0 HE22 GLN A 78 12.673 5.162 10.958 1.00 1.00 H new ATOM 1195 N VAL A 79 9.342 4.536 6.645 1.00 0.30 N ATOM 1196 CA VAL A 79 8.396 3.428 6.742 1.00 0.31 C ATOM 1197 C VAL A 79 7.766 3.304 8.132 1.00 0.32 C ATOM 1198 O VAL A 79 6.866 2.490 8.334 1.00 0.42 O ATOM 1199 CB VAL A 79 9.077 2.096 6.375 1.00 0.36 C ATOM 1200 CG1 VAL A 79 9.765 2.209 5.024 1.00 1.07 C ATOM 1201 CG2 VAL A 79 10.070 1.680 7.450 1.00 0.90 C ATOM 0 H VAL A 79 10.305 4.252 6.465 1.00 0.30 H new ATOM 0 HA VAL A 79 7.598 3.648 6.033 1.00 0.31 H new ATOM 0 HB VAL A 79 8.309 1.325 6.310 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.242 1.260 4.778 1.00 1.07 H new ATOM 0 HG12 VAL A 79 9.028 2.454 4.259 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.520 2.994 5.065 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.538 0.737 7.168 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.836 2.448 7.554 1.00 0.90 H new ATOM 0 HG23 VAL A 79 9.548 1.557 8.399 1.00 0.90 H new ATOM 1211 N SER A 80 8.238 4.101 9.086 1.00 0.30 N ATOM 1212 CA SER A 80 7.712 4.050 10.451 1.00 0.36 C ATOM 1213 C SER A 80 6.643 5.115 10.707 1.00 0.34 C ATOM 1214 O SER A 80 5.923 5.046 11.703 1.00 0.42 O ATOM 1215 CB SER A 80 8.848 4.218 11.461 1.00 0.46 C ATOM 1216 OG SER A 80 8.352 4.240 12.789 1.00 1.14 O ATOM 0 H SER A 80 8.979 4.787 8.943 1.00 0.30 H new ATOM 0 HA SER A 80 7.243 3.074 10.573 1.00 0.36 H new ATOM 0 HB2 SER A 80 9.561 3.401 11.350 1.00 0.46 H new ATOM 0 HB3 SER A 80 9.387 5.143 11.256 1.00 0.46 H new ATOM 0 HG SER A 80 7.381 4.374 12.773 1.00 1.14 H new ATOM 1222 N GLN A 81 6.538 6.093 9.814 1.00 0.31 N ATOM 1223 CA GLN A 81 5.570 7.178 9.985 1.00 0.36 C ATOM 1224 C GLN A 81 4.279 6.951 9.198 1.00 0.32 C ATOM 1225 O GLN A 81 3.414 7.827 9.161 1.00 0.37 O ATOM 1226 CB GLN A 81 6.198 8.511 9.574 1.00 0.46 C ATOM 1227 CG GLN A 81 7.327 8.957 10.489 1.00 1.09 C ATOM 1228 CD GLN A 81 7.928 10.283 10.070 1.00 1.48 C ATOM 1229 OE1 GLN A 81 8.956 10.228 9.234 1.00 2.08 O flip ATOM 1230 NE2 GLN A 81 7.474 11.347 10.495 1.00 1.80 N flip ATOM 0 H GLN A 81 7.105 6.160 8.969 1.00 0.31 H new ATOM 0 HA GLN A 81 5.303 7.199 11.042 1.00 0.36 H new ATOM 0 HB2 GLN A 81 6.578 8.426 8.556 1.00 0.46 H new ATOM 0 HB3 GLN A 81 5.425 9.280 9.563 1.00 0.46 H new ATOM 0 HG2 GLN A 81 6.952 9.039 11.509 1.00 1.09 H new ATOM 0 HG3 GLN A 81 8.106 8.195 10.496 1.00 1.09 H new ATOM 0 HE21 GLN A 81 6.681 11.343 11.137 1.00 1.80 H new ATOM 0 HE22 GLN A 81 7.891 12.232 10.205 1.00 1.80 H new ATOM 1239 N VAL A 82 4.141 5.786 8.573 1.00 0.26 N ATOM 1240 CA VAL A 82 2.940 5.487 7.794 1.00 0.26 C ATOM 1241 C VAL A 82 1.954 4.622 8.582 1.00 0.24 C ATOM 1242 O VAL A 82 2.223 4.243 9.722 1.00 0.24 O ATOM 1243 CB VAL A 82 3.291 4.792 6.466 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.882 5.796 5.486 1.00 0.45 C ATOM 1245 CG2 VAL A 82 4.255 3.641 6.700 1.00 0.25 C ATOM 0 H VAL A 82 4.836 5.040 8.588 1.00 0.26 H new ATOM 0 HA VAL A 82 2.464 6.443 7.576 1.00 0.26 H new ATOM 0 HB VAL A 82 2.376 4.385 6.036 1.00 0.30 H new ATOM 0 HG11 VAL A 82 4.126 5.292 4.551 1.00 0.45 H new ATOM 0 HG12 VAL A 82 3.157 6.587 5.293 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.787 6.230 5.911 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.490 3.164 5.749 1.00 0.25 H new ATOM 0 HG22 VAL A 82 5.172 4.020 7.152 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.796 2.912 7.368 1.00 0.25 H new ATOM 1255 N ILE A 83 0.807 4.322 7.969 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.224 3.510 8.613 1.00 0.26 C ATOM 1257 C ILE A 83 0.325 2.154 9.064 1.00 0.26 C ATOM 1258 O ILE A 83 1.315 1.670 8.518 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.421 3.280 7.670 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -0.943 2.722 6.327 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.192 4.579 7.471 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.067 2.326 5.393 1.00 0.75 C ATOM 0 H ILE A 83 0.570 4.630 7.026 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.556 4.065 9.490 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.090 2.549 8.124 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.321 3.469 5.835 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.312 1.852 6.510 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.035 4.403 6.803 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.560 4.935 8.433 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.533 5.330 7.034 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -1.649 1.940 4.463 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -2.677 1.555 5.864 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -2.686 3.197 5.178 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.317 1.523 10.072 1.00 0.32 N ATOM 1275 CA PRO A 84 0.110 0.224 10.609 1.00 0.34 C ATOM 1276 C PRO A 84 0.439 -0.795 9.519 1.00 0.31 C ATOM 1277 O PRO A 84 1.563 -1.291 9.447 1.00 0.32 O ATOM 1278 CB PRO A 84 -1.096 -0.250 11.438 1.00 0.43 C ATOM 1279 CG PRO A 84 -2.188 0.737 11.176 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.510 2.012 10.772 1.00 0.41 C ATOM 0 HA PRO A 84 1.029 0.321 11.187 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.400 -1.255 11.146 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -0.850 -0.287 12.499 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -2.852 0.383 10.388 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -2.800 0.886 12.066 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.141 2.621 10.124 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.252 2.627 11.635 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.544 -1.108 8.681 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.331 -2.070 7.615 1.00 0.31 C ATOM 1290 C GLY A 85 0.924 -1.779 6.802 1.00 0.27 C ATOM 1291 O GLY A 85 1.753 -2.660 6.589 1.00 0.28 O ATOM 0 H GLY A 85 -1.484 -0.713 8.721 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.258 -3.070 8.043 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.196 -2.069 6.952 1.00 0.31 H new ATOM 1295 N TRP A 86 1.076 -0.529 6.372 1.00 0.25 N ATOM 1296 CA TRP A 86 2.228 -0.129 5.564 1.00 0.25 C ATOM 1297 C TRP A 86 3.553 -0.329 6.302 1.00 0.24 C ATOM 1298 O TRP A 86 4.503 -0.868 5.738 1.00 0.30 O ATOM 1299 CB TRP A 86 2.092 1.333 5.128 1.00 0.25 C ATOM 1300 CG TRP A 86 1.647 1.499 3.702 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.772 0.709 3.012 1.00 0.26 C ATOM 1302 CD2 TRP A 86 2.057 2.530 2.793 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.622 1.179 1.728 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.397 2.297 1.572 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.919 3.626 2.894 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.572 3.118 0.462 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 3.091 4.441 1.791 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.421 4.184 0.590 1.00 0.70 C ATOM 0 H TRP A 86 0.417 0.225 6.569 1.00 0.25 H new ATOM 0 HA TRP A 86 2.240 -0.774 4.685 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.378 1.833 5.783 1.00 0.25 H new ATOM 0 HB3 TRP A 86 3.051 1.833 5.261 1.00 0.25 H new ATOM 0 HD1 TRP A 86 0.271 -0.158 3.416 1.00 0.26 H new ATOM 0 HE1 TRP A 86 0.030 0.763 1.009 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.441 3.832 3.817 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.057 2.921 -0.467 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.754 5.291 1.857 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.577 4.840 -0.253 1.00 0.70 H new ATOM 1319 N THR A 87 3.617 0.105 7.559 1.00 0.23 N ATOM 1320 CA THR A 87 4.844 -0.022 8.346 1.00 0.26 C ATOM 1321 C THR A 87 5.340 -1.466 8.394 1.00 0.25 C ATOM 1322 O THR A 87 6.546 -1.715 8.380 1.00 0.26 O ATOM 1323 CB THR A 87 4.654 0.485 9.789 1.00 0.33 C ATOM 1324 OG1 THR A 87 3.693 -0.325 10.475 1.00 1.40 O ATOM 1325 CG2 THR A 87 4.199 1.938 9.801 1.00 1.25 C ATOM 0 H THR A 87 2.840 0.545 8.053 1.00 0.23 H new ATOM 0 HA THR A 87 5.588 0.596 7.844 1.00 0.26 H new ATOM 0 HB THR A 87 5.615 0.417 10.299 1.00 0.33 H new ATOM 0 HG1 THR A 87 2.841 -0.302 9.991 1.00 1.40 H new ATOM 0 HG21 THR A 87 4.072 2.271 10.831 1.00 1.25 H new ATOM 0 HG22 THR A 87 4.948 2.558 9.309 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.250 2.027 9.272 1.00 1.25 H new ATOM 1333 N GLU A 88 4.409 -2.412 8.452 1.00 0.25 N ATOM 1334 CA GLU A 88 4.757 -3.830 8.514 1.00 0.28 C ATOM 1335 C GLU A 88 5.334 -4.328 7.188 1.00 0.28 C ATOM 1336 O GLU A 88 6.391 -4.959 7.161 1.00 0.34 O ATOM 1337 CB GLU A 88 3.529 -4.659 8.895 1.00 0.33 C ATOM 1338 CG GLU A 88 3.823 -6.140 9.078 1.00 0.69 C ATOM 1339 CD GLU A 88 4.769 -6.411 10.232 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.285 -6.568 11.372 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.995 -6.466 9.994 1.00 1.15 O ATOM 0 H GLU A 88 3.406 -2.224 8.457 1.00 0.25 H new ATOM 0 HA GLU A 88 5.525 -3.949 9.278 1.00 0.28 H new ATOM 0 HB2 GLU A 88 3.108 -4.264 9.820 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.769 -4.541 8.123 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.888 -6.674 9.247 1.00 0.69 H new ATOM 0 HG3 GLU A 88 4.254 -6.537 8.159 1.00 0.69 H new ATOM 1348 N ALA A 89 4.634 -4.044 6.092 1.00 0.26 N ATOM 1349 CA ALA A 89 5.072 -4.480 4.767 1.00 0.29 C ATOM 1350 C ALA A 89 6.403 -3.847 4.372 1.00 0.29 C ATOM 1351 O ALA A 89 7.340 -4.543 3.980 1.00 0.33 O ATOM 1352 CB ALA A 89 4.009 -4.153 3.728 1.00 0.29 C ATOM 0 H ALA A 89 3.762 -3.515 6.094 1.00 0.26 H new ATOM 0 HA ALA A 89 5.218 -5.559 4.808 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.347 -4.483 2.746 1.00 0.29 H new ATOM 0 HB2 ALA A 89 3.081 -4.665 3.983 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.836 -3.077 3.710 1.00 0.29 H new ATOM 1358 N LEU A 90 6.474 -2.525 4.469 1.00 0.28 N ATOM 1359 CA LEU A 90 7.685 -1.788 4.118 1.00 0.31 C ATOM 1360 C LEU A 90 8.892 -2.261 4.926 1.00 0.35 C ATOM 1361 O LEU A 90 10.025 -2.201 4.452 1.00 0.39 O ATOM 1362 CB LEU A 90 7.468 -0.288 4.337 1.00 0.33 C ATOM 1363 CG LEU A 90 6.807 0.464 3.175 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.707 0.454 1.949 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.448 -0.136 2.844 1.00 0.32 C ATOM 0 H LEU A 90 5.704 -1.938 4.789 1.00 0.28 H new ATOM 0 HA LEU A 90 7.894 -1.979 3.065 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.855 -0.154 5.228 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.434 0.174 4.543 1.00 0.33 H new ATOM 0 HG LEU A 90 6.656 1.498 3.484 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.220 0.992 1.136 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.654 0.938 2.189 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.893 -0.575 1.642 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.999 0.414 2.017 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.571 -1.181 2.560 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.799 -0.071 3.717 1.00 0.32 H new ATOM 1377 N GLN A 91 8.642 -2.729 6.144 1.00 0.37 N ATOM 1378 CA GLN A 91 9.713 -3.201 7.018 1.00 0.43 C ATOM 1379 C GLN A 91 10.317 -4.506 6.504 1.00 0.39 C ATOM 1380 O GLN A 91 11.422 -4.886 6.894 1.00 0.43 O ATOM 1381 CB GLN A 91 9.181 -3.401 8.439 1.00 0.52 C ATOM 1382 CG GLN A 91 10.248 -3.810 9.441 1.00 1.07 C ATOM 1383 CD GLN A 91 9.677 -4.081 10.820 1.00 1.32 C ATOM 1384 OE1 GLN A 91 8.533 -4.514 10.956 1.00 1.87 O ATOM 1385 NE2 GLN A 91 10.474 -3.825 11.850 1.00 1.80 N ATOM 0 H GLN A 91 7.708 -2.792 6.549 1.00 0.37 H new ATOM 0 HA GLN A 91 10.497 -2.444 7.025 1.00 0.43 H new ATOM 0 HB2 GLN A 91 8.715 -2.475 8.776 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.401 -4.162 8.421 1.00 0.52 H new ATOM 0 HG2 GLN A 91 10.757 -4.704 9.080 1.00 1.07 H new ATOM 0 HG3 GLN A 91 10.998 -3.022 9.510 1.00 1.07 H new ATOM 0 HE21 GLN A 91 11.415 -3.467 11.690 1.00 1.80 H new ATOM 0 HE22 GLN A 91 10.145 -3.987 12.802 1.00 1.80 H new ATOM 1394 N LEU A 92 9.590 -5.184 5.623 1.00 0.37 N ATOM 1395 CA LEU A 92 10.047 -6.455 5.067 1.00 0.36 C ATOM 1396 C LEU A 92 10.610 -6.285 3.659 1.00 0.32 C ATOM 1397 O LEU A 92 11.164 -7.227 3.091 1.00 0.39 O ATOM 1398 CB LEU A 92 8.894 -7.460 5.048 1.00 0.38 C ATOM 1399 CG LEU A 92 8.295 -7.787 6.419 1.00 0.59 C ATOM 1400 CD1 LEU A 92 7.092 -8.706 6.270 1.00 1.17 C ATOM 1401 CD2 LEU A 92 9.341 -8.425 7.323 1.00 1.31 C ATOM 0 H LEU A 92 8.681 -4.876 5.277 1.00 0.37 H new ATOM 0 HA LEU A 92 10.849 -6.828 5.704 1.00 0.36 H new ATOM 0 HB2 LEU A 92 8.103 -7.070 4.407 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.247 -8.385 4.593 1.00 0.38 H new ATOM 0 HG LEU A 92 7.964 -6.856 6.879 1.00 0.59 H new ATOM 0 HD11 LEU A 92 6.679 -8.928 7.254 1.00 1.17 H new ATOM 0 HD12 LEU A 92 6.333 -8.216 5.660 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.400 -9.634 5.789 1.00 1.17 H new ATOM 0 HD21 LEU A 92 8.896 -8.650 8.292 1.00 1.31 H new ATOM 0 HD22 LEU A 92 9.702 -9.347 6.867 1.00 1.31 H new ATOM 0 HD23 LEU A 92 10.175 -7.736 7.458 1.00 1.31 H new ATOM 1413 N MET A 93 10.467 -5.089 3.095 1.00 0.31 N ATOM 1414 CA MET A 93 10.958 -4.818 1.752 1.00 0.33 C ATOM 1415 C MET A 93 12.386 -4.272 1.770 1.00 0.23 C ATOM 1416 O MET A 93 12.600 -3.120 2.140 1.00 0.23 O ATOM 1417 CB MET A 93 10.045 -3.803 1.067 1.00 0.45 C ATOM 1418 CG MET A 93 8.727 -4.384 0.593 1.00 1.05 C ATOM 1419 SD MET A 93 7.668 -3.156 -0.195 1.00 1.05 S ATOM 1420 CE MET A 93 8.640 -2.751 -1.643 1.00 1.66 C ATOM 0 H MET A 93 10.015 -4.295 3.548 1.00 0.31 H new ATOM 0 HA MET A 93 10.959 -5.760 1.204 1.00 0.33 H new ATOM 0 HB2 MET A 93 9.843 -2.986 1.759 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.570 -3.375 0.213 1.00 0.45 H new ATOM 0 HG2 MET A 93 8.923 -5.193 -0.110 1.00 1.05 H new ATOM 0 HG3 MET A 93 8.201 -4.820 1.442 1.00 1.05 H new ATOM 0 HE1 MET A 93 7.984 -2.378 -2.429 1.00 1.66 H new ATOM 0 HE2 MET A 93 9.372 -1.985 -1.387 1.00 1.66 H new ATOM 0 HE3 MET A 93 9.157 -3.643 -1.995 1.00 1.66 H new ATOM 1430 N PRO A 94 13.383 -5.084 1.357 1.00 0.25 N ATOM 1431 CA PRO A 94 14.778 -4.638 1.306 1.00 0.23 C ATOM 1432 C PRO A 94 14.976 -3.606 0.203 1.00 0.21 C ATOM 1433 O PRO A 94 14.368 -3.712 -0.861 1.00 0.21 O ATOM 1434 CB PRO A 94 15.560 -5.917 1.001 1.00 0.31 C ATOM 1435 CG PRO A 94 14.580 -6.824 0.343 1.00 0.44 C ATOM 1436 CD PRO A 94 13.234 -6.489 0.927 1.00 0.37 C ATOM 0 HA PRO A 94 15.101 -4.157 2.229 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.409 -5.714 0.348 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.959 -6.362 1.913 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.582 -6.680 -0.737 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.834 -7.868 0.525 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.438 -6.601 0.191 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.987 -7.141 1.765 1.00 0.37 H new ATOM 1444 N ALA A 95 15.819 -2.606 0.458 1.00 0.24 N ATOM 1445 CA ALA A 95 16.067 -1.554 -0.524 1.00 0.27 C ATOM 1446 C ALA A 95 16.297 -2.132 -1.917 1.00 0.27 C ATOM 1447 O ALA A 95 17.145 -3.002 -2.105 1.00 0.31 O ATOM 1448 CB ALA A 95 17.259 -0.713 -0.101 1.00 0.36 C ATOM 0 H ALA A 95 16.338 -2.503 1.330 1.00 0.24 H new ATOM 0 HA ALA A 95 15.180 -0.922 -0.568 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.434 0.068 -0.841 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.057 -0.256 0.868 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.143 -1.346 -0.026 1.00 0.36 H new ATOM 1454 N GLY A 96 15.535 -1.642 -2.890 1.00 0.27 N ATOM 1455 CA GLY A 96 15.684 -2.114 -4.256 1.00 0.28 C ATOM 1456 C GLY A 96 14.616 -3.116 -4.664 1.00 0.28 C ATOM 1457 O GLY A 96 14.585 -3.560 -5.812 1.00 0.34 O ATOM 0 H GLY A 96 14.818 -0.928 -2.758 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.650 -1.261 -4.934 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.666 -2.573 -4.370 1.00 0.28 H new ATOM 1461 N SER A 97 13.738 -3.470 -3.730 1.00 0.24 N ATOM 1462 CA SER A 97 12.673 -4.432 -4.008 1.00 0.24 C ATOM 1463 C SER A 97 11.542 -3.808 -4.818 1.00 0.19 C ATOM 1464 O SER A 97 11.607 -2.641 -5.205 1.00 0.21 O ATOM 1465 CB SER A 97 12.114 -4.999 -2.702 1.00 0.28 C ATOM 1466 OG SER A 97 13.090 -5.769 -2.026 1.00 1.41 O ATOM 0 H SER A 97 13.742 -3.107 -2.777 1.00 0.24 H new ATOM 0 HA SER A 97 13.110 -5.236 -4.600 1.00 0.24 H new ATOM 0 HB2 SER A 97 11.780 -4.183 -2.060 1.00 0.28 H new ATOM 0 HB3 SER A 97 11.241 -5.616 -2.913 1.00 0.28 H new ATOM 0 HG SER A 97 13.766 -5.174 -1.639 1.00 1.41 H new ATOM 1472 N THR A 98 10.506 -4.605 -5.071 1.00 0.17 N ATOM 1473 CA THR A 98 9.349 -4.157 -5.834 1.00 0.14 C ATOM 1474 C THR A 98 8.117 -4.981 -5.472 1.00 0.13 C ATOM 1475 O THR A 98 7.936 -6.090 -5.974 1.00 0.23 O ATOM 1476 CB THR A 98 9.597 -4.278 -7.349 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.883 -3.742 -7.681 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.519 -3.545 -8.134 1.00 0.18 C ATOM 0 H THR A 98 10.447 -5.573 -4.754 1.00 0.17 H new ATOM 0 HA THR A 98 9.182 -3.110 -5.582 1.00 0.14 H new ATOM 0 HB THR A 98 9.565 -5.334 -7.616 1.00 0.16 H new ATOM 0 HG1 THR A 98 11.032 -3.824 -8.646 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.715 -3.644 -9.202 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.544 -3.975 -7.903 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.524 -2.490 -7.861 1.00 0.18 H new ATOM 1486 N TRP A 99 7.275 -4.440 -4.597 1.00 0.16 N ATOM 1487 CA TRP A 99 6.064 -5.141 -4.175 1.00 0.15 C ATOM 1488 C TRP A 99 4.811 -4.325 -4.473 1.00 0.16 C ATOM 1489 O TRP A 99 4.836 -3.095 -4.465 1.00 0.18 O ATOM 1490 CB TRP A 99 6.110 -5.434 -2.670 1.00 0.19 C ATOM 1491 CG TRP A 99 6.873 -6.672 -2.290 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.541 -7.527 -3.121 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.037 -7.192 -0.964 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.115 -8.539 -2.389 1.00 0.29 N ATOM 1495 CE2 TRP A 99 7.822 -8.355 -1.064 1.00 0.28 C ATOM 1496 CE3 TRP A 99 6.599 -6.781 0.298 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.176 -9.111 0.052 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 6.953 -7.531 1.403 1.00 0.53 C ATOM 1499 CH2 TRP A 99 7.735 -8.684 1.275 1.00 0.49 C ATOM 0 H TRP A 99 7.406 -3.524 -4.168 1.00 0.16 H new ATOM 0 HA TRP A 99 6.022 -6.074 -4.738 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.556 -4.579 -2.162 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.089 -5.527 -2.301 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.608 -7.423 -4.194 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.670 -9.304 -2.771 1.00 0.29 H new ATOM 0 HE3 TRP A 99 5.994 -5.893 0.407 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 8.777 -10.003 -0.045 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 6.620 -7.222 2.383 1.00 0.53 H new ATOM 0 HH2 TRP A 99 7.996 -9.248 2.158 1.00 0.49 H new ATOM 1510 N GLU A 100 3.718 -5.032 -4.736 1.00 0.17 N ATOM 1511 CA GLU A 100 2.428 -4.403 -4.989 1.00 0.20 C ATOM 1512 C GLU A 100 1.477 -4.805 -3.871 1.00 0.19 C ATOM 1513 O GLU A 100 1.018 -5.945 -3.822 1.00 0.19 O ATOM 1514 CB GLU A 100 1.874 -4.840 -6.352 1.00 0.27 C ATOM 1515 CG GLU A 100 0.379 -4.608 -6.514 1.00 0.95 C ATOM 1516 CD GLU A 100 -0.101 -4.859 -7.930 1.00 0.95 C ATOM 1517 OE1 GLU A 100 -0.373 -6.032 -8.266 1.00 1.37 O ATOM 1518 OE2 GLU A 100 -0.208 -3.883 -8.702 1.00 1.20 O ATOM 0 H GLU A 100 3.701 -6.051 -4.780 1.00 0.17 H new ATOM 0 HA GLU A 100 2.539 -3.319 -5.011 1.00 0.20 H new ATOM 0 HB2 GLU A 100 2.403 -4.300 -7.138 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.085 -5.900 -6.496 1.00 0.27 H new ATOM 0 HG2 GLU A 100 -0.162 -5.261 -5.830 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.142 -3.583 -6.230 1.00 0.95 H new ATOM 1525 N ILE A 101 1.166 -3.865 -2.986 1.00 0.18 N ATOM 1526 CA ILE A 101 0.310 -4.159 -1.849 1.00 0.18 C ATOM 1527 C ILE A 101 -1.061 -3.504 -1.941 1.00 0.18 C ATOM 1528 O ILE A 101 -1.213 -2.400 -2.462 1.00 0.19 O ATOM 1529 CB ILE A 101 0.976 -3.713 -0.533 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.241 -2.207 -0.550 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.271 -4.481 -0.309 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.731 -1.665 0.775 1.00 0.22 C ATOM 0 H ILE A 101 1.492 -2.900 -3.035 1.00 0.18 H new ATOM 0 HA ILE A 101 0.169 -5.240 -1.862 1.00 0.18 H new ATOM 0 HB ILE A 101 0.297 -3.932 0.291 1.00 0.20 H new ATOM 0 HG12 ILE A 101 1.980 -1.985 -1.320 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.324 -1.688 -0.829 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.730 -4.155 0.624 1.00 0.25 H new ATOM 0 HG22 ILE A 101 2.056 -5.548 -0.255 1.00 0.25 H new ATOM 0 HG23 ILE A 101 2.955 -4.290 -1.136 1.00 0.25 H new ATOM 0 HD11 ILE A 101 1.898 -0.591 0.689 1.00 0.22 H new ATOM 0 HD12 ILE A 101 0.983 -1.856 1.545 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.665 -2.157 1.046 1.00 0.22 H new ATOM 1544 N TYR A 102 -2.051 -4.215 -1.418 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.425 -3.740 -1.375 1.00 0.22 C ATOM 1546 C TYR A 102 -3.920 -3.850 0.065 1.00 0.22 C ATOM 1547 O TYR A 102 -4.238 -4.939 0.543 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.305 -4.559 -2.330 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.723 -5.911 -2.688 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.842 -6.059 -3.757 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -4.058 -7.041 -1.959 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.315 -7.292 -4.081 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.535 -8.277 -2.278 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.665 -8.399 -3.339 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.142 -9.631 -3.658 1.00 0.31 O ATOM 0 H TYR A 102 -1.922 -5.141 -1.010 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.478 -2.701 -1.700 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.284 -4.704 -1.873 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.462 -3.988 -3.245 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.567 -5.194 -4.342 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.740 -6.952 -1.127 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.632 -7.389 -4.912 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.807 -9.146 -1.698 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.546 -9.543 -4.431 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.982 -2.710 0.752 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.376 -2.680 2.159 1.00 0.29 C ATOM 1567 C VAL A 103 -5.799 -2.163 2.382 1.00 0.29 C ATOM 1568 O VAL A 103 -6.021 -0.951 2.392 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.424 -1.776 2.968 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.477 -2.124 4.445 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -2.001 -1.877 2.435 1.00 0.33 C ATOM 0 H VAL A 103 -3.764 -1.795 0.357 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.327 -3.716 2.494 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.754 -0.744 2.853 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -2.798 -1.474 4.997 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.493 -1.985 4.815 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.179 -3.163 4.585 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.347 -1.231 3.020 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.656 -2.908 2.511 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.980 -1.564 1.391 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.786 -3.062 2.564 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.164 -2.655 2.846 1.00 0.34 C ATOM 1583 C PRO A 104 -8.223 -1.810 4.118 1.00 0.34 C ATOM 1584 O PRO A 104 -7.371 -1.955 4.993 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.920 -3.979 3.031 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.867 -5.018 3.222 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.652 -4.525 2.489 1.00 0.33 C ATOM 0 HA PRO A 104 -8.592 -2.042 2.053 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.586 -3.933 3.892 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.538 -4.202 2.161 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.651 -5.163 4.280 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -8.194 -5.981 2.829 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.731 -4.870 2.959 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.634 -4.876 1.457 1.00 0.33 H new ATOM 1595 N SER A 105 -9.205 -0.918 4.213 1.00 0.45 N ATOM 1596 CA SER A 105 -9.336 -0.038 5.380 1.00 0.51 C ATOM 1597 C SER A 105 -9.218 -0.803 6.699 1.00 0.44 C ATOM 1598 O SER A 105 -8.610 -0.316 7.651 1.00 0.48 O ATOM 1599 CB SER A 105 -10.675 0.695 5.342 1.00 0.66 C ATOM 1600 OG SER A 105 -10.519 2.060 5.686 1.00 1.81 O ATOM 0 H SER A 105 -9.922 -0.782 3.500 1.00 0.45 H new ATOM 0 HA SER A 105 -8.515 0.678 5.331 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.109 0.615 4.345 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.373 0.220 6.032 1.00 0.66 H new ATOM 0 HG SER A 105 -11.401 2.469 5.809 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.790 -2.002 6.751 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.745 -2.802 7.967 1.00 0.36 C ATOM 1608 C GLY A 106 -8.333 -3.081 8.450 1.00 0.36 C ATOM 1609 O GLY A 106 -8.137 -3.593 9.553 1.00 0.40 O ATOM 0 H GLY A 106 -10.285 -2.437 5.972 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.295 -2.286 8.754 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.255 -3.749 7.790 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.351 -2.741 7.624 1.00 0.37 N ATOM 1614 CA LEU A 107 -5.947 -2.976 7.953 1.00 0.42 C ATOM 1615 C LEU A 107 -5.208 -1.668 8.219 1.00 0.45 C ATOM 1616 O LEU A 107 -4.098 -1.671 8.751 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.262 -3.726 6.807 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.544 -5.228 6.722 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -7.036 -5.518 6.797 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -4.962 -5.791 5.439 1.00 1.60 C ATOM 0 H LEU A 107 -7.500 -2.299 6.717 1.00 0.37 H new ATOM 0 HA LEU A 107 -5.914 -3.577 8.862 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.565 -3.266 5.866 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.185 -3.584 6.899 1.00 0.61 H new ATOM 0 HG LEU A 107 -5.069 -5.711 7.575 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -7.201 -6.594 6.734 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -7.432 -5.145 7.741 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -7.545 -5.024 5.970 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -5.166 -6.860 5.385 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -5.416 -5.291 4.583 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -3.885 -5.626 5.425 1.00 1.60 H new ATOM 1632 N ALA A 108 -5.824 -0.552 7.847 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.214 0.757 8.043 1.00 0.60 C ATOM 1634 C ALA A 108 -5.936 1.541 9.139 1.00 0.67 C ATOM 1635 O ALA A 108 -5.761 1.260 10.325 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.197 1.533 6.733 1.00 0.66 C ATOM 0 H ALA A 108 -6.745 -0.528 7.408 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.184 0.611 8.368 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.739 2.509 6.894 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.622 0.980 5.990 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.218 1.666 6.376 1.00 0.66 H new ATOM 1642 N TYR A 109 -6.746 2.518 8.742 1.00 0.54 N ATOM 1643 CA TYR A 109 -7.485 3.331 9.700 1.00 0.68 C ATOM 1644 C TYR A 109 -8.844 2.710 10.012 1.00 1.04 C ATOM 1645 O TYR A 109 -9.483 3.059 11.005 1.00 1.44 O ATOM 1646 CB TYR A 109 -7.650 4.752 9.169 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.553 5.686 9.630 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.649 6.329 10.856 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.427 5.926 8.848 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.657 7.187 11.292 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.432 6.782 9.277 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.551 7.411 10.499 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.563 8.265 10.930 1.00 1.35 O ATOM 0 H TYR A 109 -6.907 2.765 7.765 1.00 0.54 H new ATOM 0 HA TYR A 109 -6.915 3.370 10.628 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -7.665 4.727 8.079 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.614 5.145 9.492 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.513 6.156 11.480 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.330 5.435 7.891 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.747 7.680 12.249 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.564 6.958 8.659 1.00 0.79 H new ATOM 0 HH TYR A 109 -2.854 8.312 10.255 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.283 1.791 9.155 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.550 1.115 9.371 1.00 1.58 C ATOM 1665 C GLY A 110 -11.650 1.550 8.416 1.00 0.83 C ATOM 1666 O GLY A 110 -11.717 2.717 8.031 1.00 0.93 O ATOM 0 H GLY A 110 -8.783 1.503 8.314 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.399 0.040 9.271 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.878 1.297 10.395 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.534 0.611 8.018 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.647 0.881 7.099 1.00 0.83 C ATOM 1672 C PRO A 111 -14.638 1.908 7.637 1.00 1.02 C ATOM 1673 O PRO A 111 -15.512 2.374 6.914 1.00 1.49 O ATOM 1674 CB PRO A 111 -14.337 -0.481 6.952 1.00 1.41 C ATOM 1675 CG PRO A 111 -13.905 -1.254 8.147 1.00 1.39 C ATOM 1676 CD PRO A 111 -12.504 -0.805 8.415 1.00 0.88 C ATOM 0 HA PRO A 111 -13.284 1.304 6.162 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -15.421 -0.374 6.920 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -14.039 -0.979 6.029 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -14.553 -1.055 9.001 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -13.946 -2.327 7.959 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -12.234 -0.925 9.464 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -11.779 -1.373 7.832 1.00 0.88 H new ATOM 1684 N ARG A 112 -14.485 2.288 8.894 1.00 0.94 N ATOM 1685 CA ARG A 112 -15.404 3.240 9.505 1.00 1.23 C ATOM 1686 C ARG A 112 -15.120 4.656 9.025 1.00 0.85 C ATOM 1687 O ARG A 112 -14.127 4.904 8.341 1.00 0.72 O ATOM 1688 CB ARG A 112 -15.300 3.173 11.027 1.00 1.70 C ATOM 1689 CG ARG A 112 -15.684 1.820 11.600 1.00 2.18 C ATOM 1690 CD ARG A 112 -15.637 1.824 13.119 1.00 2.28 C ATOM 1691 NE ARG A 112 -14.300 2.120 13.626 1.00 2.49 N ATOM 1692 CZ ARG A 112 -13.998 2.176 14.919 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -14.934 1.956 15.832 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -12.757 2.454 15.300 1.00 3.51 N ATOM 0 H ARG A 112 -13.741 1.957 9.509 1.00 0.94 H new ATOM 0 HA ARG A 112 -16.417 2.973 9.205 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -14.278 3.408 11.324 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -15.943 3.939 11.462 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -16.687 1.554 11.267 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -15.008 1.056 11.216 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -16.341 2.563 13.501 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -15.960 0.853 13.494 1.00 2.28 H new ATOM 0 HE ARG A 112 -13.556 2.293 12.950 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -15.889 1.743 15.543 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -14.699 2.000 16.824 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -12.035 2.625 14.600 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -12.526 2.497 16.293 1.00 3.51 H new ATOM 1708 N SER A 113 -16.014 5.580 9.378 1.00 0.87 N ATOM 1709 CA SER A 113 -15.884 6.981 8.985 1.00 0.75 C ATOM 1710 C SER A 113 -14.546 7.570 9.423 1.00 0.91 C ATOM 1711 O SER A 113 -14.257 8.739 9.167 1.00 1.34 O ATOM 1712 CB SER A 113 -17.031 7.802 9.576 1.00 1.01 C ATOM 1713 OG SER A 113 -16.940 9.161 9.189 1.00 1.63 O ATOM 0 H SER A 113 -16.842 5.380 9.940 1.00 0.87 H new ATOM 0 HA SER A 113 -15.928 7.023 7.897 1.00 0.75 H new ATOM 0 HB2 SER A 113 -17.985 7.390 9.246 1.00 1.01 H new ATOM 0 HB3 SER A 113 -17.012 7.729 10.663 1.00 1.01 H new ATOM 0 HG SER A 113 -15.997 9.414 9.103 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.737 6.754 10.082 1.00 1.07 N ATOM 1720 CA VAL A 114 -12.428 7.187 10.547 1.00 1.57 C ATOM 1721 C VAL A 114 -11.365 6.876 9.496 1.00 1.35 C ATOM 1722 O VAL A 114 -10.172 6.822 9.793 1.00 1.61 O ATOM 1723 CB VAL A 114 -12.050 6.505 11.878 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -10.948 7.277 12.586 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -13.273 6.367 12.772 1.00 2.90 C ATOM 0 H VAL A 114 -13.965 5.786 10.307 1.00 1.07 H new ATOM 0 HA VAL A 114 -12.475 8.263 10.713 1.00 1.57 H new ATOM 0 HB VAL A 114 -11.673 5.506 11.657 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -10.698 6.778 13.522 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -10.065 7.317 11.949 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -11.291 8.290 12.796 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -12.988 5.884 13.707 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -13.682 7.355 12.984 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -14.027 5.763 12.267 1.00 2.90 H new ATOM 1735 N GLY A 115 -11.815 6.673 8.259 1.00 1.05 N ATOM 1736 CA GLY A 115 -10.902 6.371 7.173 1.00 0.96 C ATOM 1737 C GLY A 115 -9.928 7.504 6.913 1.00 0.87 C ATOM 1738 O GLY A 115 -10.323 8.581 6.463 1.00 0.97 O ATOM 0 H GLY A 115 -12.798 6.713 7.991 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -10.347 5.463 7.409 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -11.472 6.169 6.266 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.650 7.263 7.202 1.00 0.80 N ATOM 1743 CA GLY A 116 -7.632 8.280 6.998 1.00 0.80 C ATOM 1744 C GLY A 116 -7.383 8.576 5.527 1.00 0.70 C ATOM 1745 O GLY A 116 -8.269 9.095 4.848 1.00 0.75 O ATOM 0 H GLY A 116 -8.302 6.380 7.574 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -7.935 9.197 7.503 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.701 7.954 7.461 1.00 0.80 H new ATOM 1749 N PRO A 117 -6.183 8.259 4.998 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.859 8.506 3.588 1.00 0.60 C ATOM 1751 C PRO A 117 -6.726 7.676 2.650 1.00 0.53 C ATOM 1752 O PRO A 117 -7.083 8.125 1.560 1.00 0.59 O ATOM 1753 CB PRO A 117 -4.390 8.086 3.473 1.00 0.57 C ATOM 1754 CG PRO A 117 -4.172 7.148 4.607 1.00 0.70 C ATOM 1755 CD PRO A 117 -5.056 7.637 5.718 1.00 0.59 C ATOM 0 HA PRO A 117 -6.036 9.543 3.304 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -4.191 7.603 2.516 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.726 8.948 3.539 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -4.428 6.127 4.324 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -3.126 7.141 4.914 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.388 6.820 6.358 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.541 8.354 6.357 1.00 0.59 H new ATOM 1763 N ILE A 118 -7.059 6.463 3.080 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.892 5.575 2.281 1.00 0.40 C ATOM 1765 C ILE A 118 -9.367 5.777 2.617 1.00 0.43 C ATOM 1766 O ILE A 118 -9.768 5.693 3.779 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.494 4.093 2.480 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.979 3.926 2.321 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.236 3.206 1.492 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.429 4.498 1.032 1.00 1.25 C ATOM 0 H ILE A 118 -6.765 6.074 3.976 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.732 5.827 1.233 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.773 3.789 3.489 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.480 4.408 3.162 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.734 2.865 2.370 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.944 2.167 1.646 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.310 3.308 1.647 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -7.986 3.506 0.474 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.351 4.340 0.995 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.898 4.000 0.184 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -5.641 5.566 0.988 1.00 1.25 H new ATOM 1782 N GLY A 119 -10.163 6.057 1.584 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.589 6.293 1.762 1.00 0.48 C ATOM 1784 C GLY A 119 -12.260 5.289 2.683 1.00 0.45 C ATOM 1785 O GLY A 119 -11.777 4.167 2.836 1.00 0.40 O ATOM 0 H GLY A 119 -9.841 6.125 0.618 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.736 7.296 2.163 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -12.078 6.264 0.788 1.00 0.48 H new ATOM 1789 N PRO A 120 -13.392 5.667 3.316 1.00 0.52 N ATOM 1790 CA PRO A 120 -14.120 4.776 4.225 1.00 0.56 C ATOM 1791 C PRO A 120 -14.601 3.519 3.507 1.00 0.51 C ATOM 1792 O PRO A 120 -15.174 3.598 2.421 1.00 0.48 O ATOM 1793 CB PRO A 120 -15.311 5.620 4.697 1.00 0.64 C ATOM 1794 CG PRO A 120 -15.441 6.713 3.693 1.00 0.67 C ATOM 1795 CD PRO A 120 -14.050 6.978 3.189 1.00 0.59 C ATOM 0 HA PRO A 120 -13.495 4.426 5.047 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -16.221 5.022 4.748 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -15.137 6.022 5.695 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -16.102 6.418 2.878 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -15.870 7.608 4.143 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -14.055 7.328 2.157 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.545 7.741 3.781 1.00 0.59 H new ATOM 1803 N ASN A 121 -14.368 2.364 4.124 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.748 1.078 3.537 1.00 0.58 C ATOM 1805 C ASN A 121 -14.294 1.016 2.085 1.00 0.49 C ATOM 1806 O ASN A 121 -14.964 0.430 1.236 1.00 0.53 O ATOM 1807 CB ASN A 121 -16.264 0.872 3.601 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.873 1.393 4.881 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -17.021 0.659 5.858 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -17.243 2.667 4.877 1.00 0.67 N ATOM 0 H ASN A 121 -13.916 2.290 5.035 1.00 0.55 H new ATOM 0 HA ASN A 121 -14.263 0.288 4.111 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.730 1.373 2.752 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.486 -0.191 3.505 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.670 3.077 5.708 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -17.100 3.237 4.043 1.00 0.67 H new ATOM 1817 N GLU A 122 -13.143 1.609 1.810 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.606 1.639 0.460 1.00 0.35 C ATOM 1819 C GLU A 122 -11.309 0.850 0.361 1.00 0.31 C ATOM 1820 O GLU A 122 -10.388 1.052 1.152 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.372 3.087 0.028 1.00 0.35 C ATOM 1822 CG GLU A 122 -11.870 3.231 -1.398 1.00 1.09 C ATOM 1823 CD GLU A 122 -11.535 4.666 -1.744 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -10.501 5.171 -1.256 1.00 1.73 O ATOM 1825 OE2 GLU A 122 -12.306 5.287 -2.506 1.00 1.60 O ATOM 0 H GLU A 122 -12.562 2.077 2.506 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.333 1.173 -0.205 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -13.304 3.642 0.132 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.651 3.546 0.705 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -10.985 2.610 -1.534 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -12.628 2.860 -2.088 1.00 1.09 H new ATOM 1832 N THR A 123 -11.244 -0.050 -0.611 1.00 0.26 N ATOM 1833 CA THR A 123 -10.050 -0.849 -0.827 1.00 0.24 C ATOM 1834 C THR A 123 -9.194 -0.189 -1.895 1.00 0.22 C ATOM 1835 O THR A 123 -9.686 0.153 -2.968 1.00 0.24 O ATOM 1836 CB THR A 123 -10.391 -2.290 -1.243 1.00 0.25 C ATOM 1837 OG1 THR A 123 -11.190 -2.913 -0.230 1.00 0.29 O ATOM 1838 CG2 THR A 123 -9.125 -3.105 -1.464 1.00 0.24 C ATOM 0 H THR A 123 -12.005 -0.244 -1.261 1.00 0.26 H new ATOM 0 HA THR A 123 -9.502 -0.903 0.114 1.00 0.24 H new ATOM 0 HB THR A 123 -10.949 -2.252 -2.179 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.606 -3.359 0.419 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.392 -4.120 -1.757 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.529 -2.645 -2.252 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.546 -3.135 -0.541 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.918 -0.008 -1.602 1.00 0.20 N ATOM 1847 CA LEU A 124 -7.021 0.648 -2.539 1.00 0.19 C ATOM 1848 C LEU A 124 -5.860 -0.256 -2.946 1.00 0.17 C ATOM 1849 O LEU A 124 -5.534 -1.222 -2.256 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.483 1.927 -1.908 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.602 3.162 -2.790 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -7.312 4.284 -2.049 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -5.228 3.604 -3.262 1.00 1.47 C ATOM 0 H LEU A 124 -7.481 -0.304 -0.729 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.586 0.881 -3.441 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -7.016 2.109 -0.975 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.434 1.778 -1.652 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.200 2.910 -3.666 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -7.387 5.157 -2.697 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -8.312 3.956 -1.765 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -6.747 4.543 -1.154 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -5.327 4.488 -3.892 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -4.606 3.841 -2.399 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -4.764 2.801 -3.834 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.241 0.075 -4.076 1.00 0.15 N ATOM 1866 CA ILE A 125 -4.098 -0.674 -4.584 1.00 0.14 C ATOM 1867 C ILE A 125 -2.853 0.201 -4.565 1.00 0.13 C ATOM 1868 O ILE A 125 -2.928 1.401 -4.826 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.329 -1.168 -6.026 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.629 -1.963 -6.121 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.153 -2.014 -6.493 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.860 -1.102 -6.295 1.00 0.20 C ATOM 0 H ILE A 125 -5.516 0.864 -4.661 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.967 -1.541 -3.936 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.411 -0.298 -6.678 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.560 -2.655 -6.960 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.743 -2.565 -5.219 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.332 -2.355 -7.513 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.241 -1.417 -6.465 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -3.042 -2.877 -5.836 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.743 -1.738 -6.355 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.955 -0.427 -5.444 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.770 -0.519 -7.212 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.710 -0.401 -4.260 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.461 0.343 -4.204 1.00 0.14 C ATOM 1886 C PHE A 126 0.655 -0.381 -4.946 1.00 0.14 C ATOM 1887 O PHE A 126 0.861 -1.582 -4.765 1.00 0.16 O ATOM 1888 CB PHE A 126 -0.044 0.561 -2.747 1.00 0.16 C ATOM 1889 CG PHE A 126 -1.117 1.172 -1.896 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.485 2.498 -2.063 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.754 0.418 -0.926 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.470 3.058 -1.273 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.739 0.972 -0.134 1.00 0.22 C ATOM 1894 CZ PHE A 126 -3.098 2.293 -0.307 1.00 0.24 C ATOM 0 H PHE A 126 -1.623 -1.395 -4.049 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.628 1.305 -4.689 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.248 -0.396 -2.315 1.00 0.16 H new ATOM 0 HB3 PHE A 126 0.836 1.204 -2.723 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.998 3.098 -2.817 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.477 -0.617 -0.787 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.749 4.092 -1.410 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.228 0.373 0.620 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.869 2.729 0.311 1.00 0.24 H new ATOM 1904 N LYS A 127 1.370 0.360 -5.784 1.00 0.14 N ATOM 1905 CA LYS A 127 2.487 -0.191 -6.538 1.00 0.15 C ATOM 1906 C LYS A 127 3.778 0.421 -6.009 1.00 0.16 C ATOM 1907 O LYS A 127 4.100 1.567 -6.316 1.00 0.19 O ATOM 1908 CB LYS A 127 2.317 0.108 -8.031 1.00 0.18 C ATOM 1909 CG LYS A 127 3.056 -0.860 -8.946 1.00 0.89 C ATOM 1910 CD LYS A 127 4.560 -0.653 -8.891 1.00 1.23 C ATOM 1911 CE LYS A 127 5.276 -1.481 -9.945 1.00 1.62 C ATOM 1912 NZ LYS A 127 6.748 -1.262 -9.916 1.00 2.28 N ATOM 0 H LYS A 127 1.194 1.349 -5.958 1.00 0.14 H new ATOM 0 HA LYS A 127 2.521 -1.274 -6.417 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.255 0.085 -8.277 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.669 1.120 -8.230 1.00 0.18 H new ATOM 0 HG2 LYS A 127 2.819 -1.884 -8.658 1.00 0.89 H new ATOM 0 HG3 LYS A 127 2.708 -0.729 -9.971 1.00 0.89 H new ATOM 0 HD2 LYS A 127 4.789 0.402 -9.039 1.00 1.23 H new ATOM 0 HD3 LYS A 127 4.929 -0.923 -7.902 1.00 1.23 H new ATOM 0 HE2 LYS A 127 5.063 -2.538 -9.783 1.00 1.62 H new ATOM 0 HE3 LYS A 127 4.890 -1.225 -10.932 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 7.232 -2.109 -10.277 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 6.989 -0.445 -10.512 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 7.053 -1.080 -8.938 1.00 2.28 H new ATOM 1926 N ILE A 128 4.517 -0.352 -5.222 1.00 0.16 N ATOM 1927 CA ILE A 128 5.749 0.138 -4.618 1.00 0.19 C ATOM 1928 C ILE A 128 6.998 -0.369 -5.325 1.00 0.18 C ATOM 1929 O ILE A 128 7.209 -1.575 -5.455 1.00 0.22 O ATOM 1930 CB ILE A 128 5.840 -0.268 -3.135 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.514 0.011 -2.422 1.00 0.31 C ATOM 1932 CG2 ILE A 128 6.985 0.473 -2.457 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.486 -0.454 -0.981 1.00 0.82 C ATOM 0 H ILE A 128 4.285 -1.317 -4.988 1.00 0.16 H new ATOM 0 HA ILE A 128 5.709 1.223 -4.715 1.00 0.19 H new ATOM 0 HB ILE A 128 6.039 -1.338 -3.075 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.314 1.082 -2.452 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.708 -0.479 -2.968 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.039 0.178 -1.409 1.00 0.27 H new ATOM 0 HG22 ILE A 128 7.923 0.225 -2.953 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.813 1.547 -2.523 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.515 -0.222 -0.543 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.654 -1.530 -0.943 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.269 0.055 -0.419 1.00 0.82 H new ATOM 1945 N HIS A 129 7.820 0.570 -5.779 1.00 0.15 N ATOM 1946 CA HIS A 129 9.075 0.238 -6.433 1.00 0.15 C ATOM 1947 C HIS A 129 10.224 0.824 -5.622 1.00 0.15 C ATOM 1948 O HIS A 129 10.526 2.014 -5.726 1.00 0.15 O ATOM 1949 CB HIS A 129 9.106 0.776 -7.866 1.00 0.15 C ATOM 1950 CG HIS A 129 9.792 -0.145 -8.829 1.00 0.17 C ATOM 1951 ND1 HIS A 129 9.361 -0.335 -10.124 1.00 0.22 N ATOM 1952 CD2 HIS A 129 10.878 -0.939 -8.677 1.00 0.20 C ATOM 1953 CE1 HIS A 129 10.149 -1.209 -10.724 1.00 0.26 C ATOM 1954 NE2 HIS A 129 11.080 -1.593 -9.869 1.00 0.26 N ATOM 0 H HIS A 129 7.637 1.571 -5.705 1.00 0.15 H new ATOM 0 HA HIS A 129 9.175 -0.846 -6.485 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.084 0.949 -8.204 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.612 1.741 -7.874 1.00 0.15 H new ATOM 0 HD2 HIS A 129 11.476 -1.040 -7.783 1.00 0.20 H new ATOM 0 HE1 HIS A 129 10.049 -1.552 -11.743 1.00 0.26 H new ATOM 0 HE2 HIS A 129 11.825 -2.263 -10.061 1.00 0.26 H new ATOM 1963 N LEU A 130 10.860 -0.016 -4.819 1.00 0.16 N ATOM 1964 CA LEU A 130 11.959 0.424 -3.966 1.00 0.17 C ATOM 1965 C LEU A 130 13.253 0.569 -4.752 1.00 0.17 C ATOM 1966 O LEU A 130 13.692 -0.362 -5.424 1.00 0.25 O ATOM 1967 CB LEU A 130 12.163 -0.559 -2.812 1.00 0.22 C ATOM 1968 CG LEU A 130 12.485 0.081 -1.458 1.00 0.46 C ATOM 1969 CD1 LEU A 130 12.685 -0.988 -0.397 1.00 1.36 C ATOM 1970 CD2 LEU A 130 13.708 0.986 -1.552 1.00 1.41 C ATOM 0 H LEU A 130 10.635 -1.008 -4.739 1.00 0.16 H new ATOM 0 HA LEU A 130 11.693 1.402 -3.566 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.261 -1.161 -2.706 1.00 0.22 H new ATOM 0 HB3 LEU A 130 12.972 -1.240 -3.075 1.00 0.22 H new ATOM 0 HG LEU A 130 11.636 0.700 -1.168 1.00 0.46 H new ATOM 0 HD11 LEU A 130 12.913 -0.515 0.558 1.00 1.36 H new ATOM 0 HD12 LEU A 130 11.775 -1.580 -0.301 1.00 1.36 H new ATOM 0 HD13 LEU A 130 13.511 -1.638 -0.686 1.00 1.36 H new ATOM 0 HD21 LEU A 130 13.911 1.426 -0.575 1.00 1.41 H new ATOM 0 HD22 LEU A 130 14.570 0.401 -1.873 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.519 1.780 -2.275 1.00 1.41 H new ATOM 1982 N ILE A 131 13.845 1.757 -4.676 1.00 0.13 N ATOM 1983 CA ILE A 131 15.096 2.033 -5.366 1.00 0.15 C ATOM 1984 C ILE A 131 16.288 1.794 -4.441 1.00 0.17 C ATOM 1985 O ILE A 131 17.168 0.992 -4.750 1.00 0.22 O ATOM 1986 CB ILE A 131 15.142 3.484 -5.888 1.00 0.18 C ATOM 1987 CG1 ILE A 131 13.909 3.785 -6.751 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.423 3.729 -6.675 1.00 0.26 C ATOM 1989 CD1 ILE A 131 13.780 2.893 -7.971 1.00 1.17 C ATOM 0 H ILE A 131 13.476 2.544 -4.142 1.00 0.13 H new ATOM 0 HA ILE A 131 15.153 1.352 -6.215 1.00 0.15 H new ATOM 0 HB ILE A 131 15.133 4.159 -5.032 1.00 0.18 H new ATOM 0 HG12 ILE A 131 13.014 3.678 -6.138 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.950 4.825 -7.076 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.438 4.758 -7.035 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.285 3.558 -6.030 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.465 3.047 -7.524 1.00 0.26 H new ATOM 0 HD11 ILE A 131 12.885 3.167 -8.529 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.657 3.017 -8.607 1.00 1.17 H new ATOM 0 HD13 ILE A 131 13.706 1.853 -7.655 1.00 1.17 H new ATOM 2001 N SER A 132 16.305 2.485 -3.299 1.00 0.17 N ATOM 2002 CA SER A 132 17.395 2.337 -2.333 1.00 0.20 C ATOM 2003 C SER A 132 17.010 2.899 -0.963 1.00 0.22 C ATOM 2004 O SER A 132 16.019 3.618 -0.829 1.00 0.23 O ATOM 2005 CB SER A 132 18.666 3.030 -2.831 1.00 0.23 C ATOM 2006 OG SER A 132 18.909 2.753 -4.199 1.00 1.17 O ATOM 0 H SER A 132 15.581 3.148 -3.022 1.00 0.17 H new ATOM 0 HA SER A 132 17.587 1.269 -2.229 1.00 0.20 H new ATOM 0 HB2 SER A 132 18.574 4.107 -2.688 1.00 0.23 H new ATOM 0 HB3 SER A 132 19.518 2.701 -2.236 1.00 0.23 H new ATOM 0 HG SER A 132 18.580 1.855 -4.415 1.00 1.17 H new ATOM 2012 N VAL A 133 17.807 2.560 0.052 1.00 0.25 N ATOM 2013 CA VAL A 133 17.568 3.026 1.420 1.00 0.29 C ATOM 2014 C VAL A 133 18.598 4.080 1.828 1.00 0.41 C ATOM 2015 O VAL A 133 19.802 3.834 1.776 1.00 0.57 O ATOM 2016 CB VAL A 133 17.619 1.854 2.422 1.00 0.45 C ATOM 2017 CG1 VAL A 133 18.970 1.155 2.365 1.00 1.16 C ATOM 2018 CG2 VAL A 133 17.320 2.341 3.832 1.00 1.43 C ATOM 0 H VAL A 133 18.627 1.962 -0.048 1.00 0.25 H new ATOM 0 HA VAL A 133 16.573 3.470 1.440 1.00 0.29 H new ATOM 0 HB VAL A 133 16.853 1.131 2.143 1.00 0.45 H new ATOM 0 HG11 VAL A 133 18.984 0.332 3.079 1.00 1.16 H new ATOM 0 HG12 VAL A 133 19.136 0.766 1.360 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.758 1.866 2.614 1.00 1.16 H new ATOM 0 HG21 VAL A 133 17.361 1.500 4.524 1.00 1.43 H new ATOM 0 HG22 VAL A 133 18.059 3.087 4.124 1.00 1.43 H new ATOM 0 HG23 VAL A 133 16.325 2.786 3.860 1.00 1.43 H new ATOM 2028 N LYS A 134 18.107 5.249 2.245 1.00 0.41 N ATOM 2029 CA LYS A 134 18.971 6.358 2.658 1.00 0.58 C ATOM 2030 C LYS A 134 20.271 6.392 1.858 1.00 0.68 C ATOM 2031 O LYS A 134 21.337 6.049 2.370 1.00 1.28 O ATOM 2032 CB LYS A 134 19.279 6.273 4.155 1.00 0.69 C ATOM 2033 CG LYS A 134 18.465 7.244 4.996 1.00 1.69 C ATOM 2034 CD LYS A 134 19.324 7.916 6.057 1.00 1.90 C ATOM 2035 CE LYS A 134 20.293 8.915 5.439 1.00 2.62 C ATOM 2036 NZ LYS A 134 21.174 9.545 6.462 1.00 3.08 N ATOM 0 H LYS A 134 17.109 5.453 2.306 1.00 0.41 H new ATOM 0 HA LYS A 134 18.429 7.282 2.457 1.00 0.58 H new ATOM 0 HB2 LYS A 134 19.088 5.257 4.500 1.00 0.69 H new ATOM 0 HB3 LYS A 134 20.340 6.469 4.312 1.00 0.69 H new ATOM 0 HG2 LYS A 134 18.021 8.003 4.351 1.00 1.69 H new ATOM 0 HG3 LYS A 134 17.643 6.712 5.475 1.00 1.69 H new ATOM 0 HD2 LYS A 134 18.683 8.426 6.776 1.00 1.90 H new ATOM 0 HD3 LYS A 134 19.882 7.159 6.608 1.00 1.90 H new ATOM 0 HE2 LYS A 134 20.907 8.410 4.693 1.00 2.62 H new ATOM 0 HE3 LYS A 134 19.731 9.690 4.918 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 21.818 10.218 5.999 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 20.590 10.049 7.160 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 21.730 8.809 6.942 1.00 3.08 H new ATOM 2050 N LYS A 135 20.166 6.802 0.599 1.00 0.95 N ATOM 2051 CA LYS A 135 21.322 6.893 -0.284 1.00 1.05 C ATOM 2052 C LYS A 135 21.993 5.536 -0.471 1.00 0.97 C ATOM 2053 O LYS A 135 23.203 5.456 -0.690 1.00 0.99 O ATOM 2054 CB LYS A 135 22.327 7.901 0.267 1.00 1.19 C ATOM 2055 CG LYS A 135 21.846 9.340 0.193 1.00 1.67 C ATOM 2056 CD LYS A 135 22.949 10.313 0.569 1.00 2.16 C ATOM 2057 CE LYS A 135 22.457 11.752 0.536 1.00 2.86 C ATOM 2058 NZ LYS A 135 23.535 12.715 0.887 1.00 3.16 N ATOM 0 H LYS A 135 19.285 7.078 0.165 1.00 0.95 H new ATOM 0 HA LYS A 135 20.970 7.230 -1.259 1.00 1.05 H new ATOM 0 HB2 LYS A 135 22.546 7.653 1.305 1.00 1.19 H new ATOM 0 HB3 LYS A 135 23.261 7.810 -0.287 1.00 1.19 H new ATOM 0 HG2 LYS A 135 21.496 9.557 -0.816 1.00 1.67 H new ATOM 0 HG3 LYS A 135 20.996 9.476 0.861 1.00 1.67 H new ATOM 0 HD2 LYS A 135 23.320 10.077 1.566 1.00 2.16 H new ATOM 0 HD3 LYS A 135 23.787 10.198 -0.118 1.00 2.16 H new ATOM 0 HE2 LYS A 135 22.074 11.982 -0.458 1.00 2.86 H new ATOM 0 HE3 LYS A 135 21.626 11.868 1.232 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 23.159 13.684 0.853 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 23.883 12.512 1.846 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 24.317 12.623 0.208 1.00 3.16 H new ATOM 2072 N SER A 136 21.198 4.476 -0.388 1.00 0.99 N ATOM 2073 CA SER A 136 21.705 3.116 -0.546 1.00 0.96 C ATOM 2074 C SER A 136 22.842 2.836 0.435 1.00 1.03 C ATOM 2075 O SER A 136 23.994 2.667 0.035 1.00 1.31 O ATOM 2076 CB SER A 136 22.181 2.885 -1.981 1.00 0.95 C ATOM 2077 OG SER A 136 22.669 1.566 -2.151 1.00 1.19 O ATOM 0 H SER A 136 20.195 4.532 -0.211 1.00 0.99 H new ATOM 0 HA SER A 136 20.888 2.427 -0.329 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.358 3.064 -2.673 1.00 0.95 H new ATOM 0 HB3 SER A 136 22.966 3.601 -2.227 1.00 0.95 H new ATOM 0 HG SER A 136 22.966 1.444 -3.077 1.00 1.19 H new ATOM 2083 N SER A 137 22.507 2.788 1.720 1.00 0.91 N ATOM 2084 CA SER A 137 23.497 2.528 2.760 1.00 1.03 C ATOM 2085 C SER A 137 23.734 1.030 2.923 1.00 1.82 C ATOM 2086 O SER A 137 22.990 0.393 3.697 1.00 2.51 O ATOM 2087 CB SER A 137 23.042 3.133 4.089 1.00 1.57 C ATOM 2088 OG SER A 137 22.906 4.540 3.990 1.00 2.37 O ATOM 2089 OXT SER A 137 24.664 0.506 2.274 1.00 2.53 O ATOM 0 H SER A 137 21.558 2.926 2.067 1.00 0.91 H new ATOM 0 HA SER A 137 24.435 2.995 2.459 1.00 1.03 H new ATOM 0 HB2 SER A 137 22.090 2.693 4.385 1.00 1.57 H new ATOM 0 HB3 SER A 137 23.763 2.888 4.869 1.00 1.57 H new ATOM 0 HG SER A 137 22.238 4.757 3.307 1.00 2.37 H new TER 2095 SER A 137