USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=44 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 -70:sc= 0.235 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= 0.221 F(o=-0.86,f=0.46) USER MOD Set 2.1: A 78 GLN :FLIP amide:sc= -1.33 F(o=-12!,f=-1.7) USER MOD Set 2.2: A 80 SER OG : rot 180:sc= -0.403 USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 47 LYS NZ :NH3+ -167:sc= -0.0684 (180deg=-0.315) USER MOD Set 4.2: A 91 GLN :FLIP amide:sc= -0.976 F(o=-2!,f=-1) USER MOD Set 5.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 97 SER OG : rot 180:sc= -0.678! USER MOD Set 6.1: A 19 ASN :FLIP amide:sc= 0.171 F(o=-4.4!,f=-1.7) USER MOD Set 6.2: A 102 TYR OH : rot 0:sc= -1.85! USER MOD Single : A 1 PHE N :NH3+ 141:sc= 0.612 (180deg=0.099) USER MOD Single : A 2 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.22) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0226 (180deg=-0.25) USER MOD Single : A 8 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= -1.92! (180deg=-4.29!) USER MOD Single : A 17 THR OG1 : rot 61:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.383) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.521 F(o=-4.2!,f=-0.52) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 130:sc= -1.12 USER MOD Single : A 33 GLN : amide:sc= -2.88! X(o=-2.9!,f=-2.9) USER MOD Single : A 34 TYR OH : rot -127:sc= 0.804 USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= -0.022 (180deg=-0.185) USER MOD Single : A 38 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.5) USER MOD Single : A 41 ASN : amide:sc= -5.24! C(o=-5.2!,f=-9.1!) USER MOD Single : A 44 LYS NZ :NH3+ -114:sc= 0.854 (180deg=-0.439) USER MOD Single : A 48 SER OG : rot -31:sc= 0.823 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 27:sc= -0.681 USER MOD Single : A 68 THR OG1 : rot -121:sc= 0.0283 USER MOD Single : A 70 LYS NZ :NH3+ -168:sc= -0.0112 (180deg=-0.201) USER MOD Single : A 71 THR OG1 : rot -12:sc= 0.33 USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= -1.32 (180deg=-3.82!) USER MOD Single : A 81 GLN : amide:sc= -1.62! X(o=-1.6!,f=-1.1) USER MOD Single : A 87 THR OG1 : rot 40:sc= -0.667 USER MOD Single : A 93 MET CE :methyl 146:sc= -2 (180deg=-5.1!) USER MOD Single : A 105 SER OG : rot -130:sc= 0.0135 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -25:sc= 0.51 USER MOD Single : A 121 ASN : amide:sc= -2.52! C(o=-2.5!,f=-3!) USER MOD Single : A 123 THR OG1 : rot -160:sc= -0.241 USER MOD Single : A 127 LYS NZ :NH3+ -162:sc= -0.106 (180deg=-0.483) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 172:sc= -0.46 (180deg=-0.599) USER MOD Single : A 135 LYS NZ :NH3+ -169:sc= -0.0348 (180deg=-0.182) USER MOD Single : A 136 SER OG : rot -59:sc= 0.2 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -24.423 9.946 3.607 1.00 1.58 N ATOM 2 CA PHE A 1 -22.974 9.947 3.936 1.00 0.99 C ATOM 3 C PHE A 1 -22.439 8.522 4.050 1.00 0.95 C ATOM 4 O PHE A 1 -21.609 8.096 3.248 1.00 0.87 O ATOM 5 CB PHE A 1 -22.731 10.695 5.250 1.00 1.84 C ATOM 6 CG PHE A 1 -23.221 12.116 5.238 1.00 2.02 C ATOM 7 CD1 PHE A 1 -22.407 13.139 4.774 1.00 1.89 C ATOM 8 CD2 PHE A 1 -24.494 12.430 5.685 1.00 2.67 C ATOM 9 CE1 PHE A 1 -22.856 14.447 4.757 1.00 2.25 C ATOM 10 CE2 PHE A 1 -24.948 13.736 5.671 1.00 3.09 C ATOM 11 CZ PHE A 1 -24.123 14.746 5.223 1.00 2.83 C ATOM 0 H1 PHE A 1 -24.899 10.704 4.135 1.00 1.58 H new ATOM 0 H2 PHE A 1 -24.547 10.104 2.587 1.00 1.58 H new ATOM 0 H3 PHE A 1 -24.838 9.029 3.868 1.00 1.58 H new ATOM 0 HA PHE A 1 -22.445 10.453 3.128 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -23.224 10.157 6.060 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -21.663 10.690 5.468 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -21.412 12.911 4.422 1.00 1.89 H new ATOM 0 HD2 PHE A 1 -25.140 11.645 6.049 1.00 2.67 H new ATOM 0 HE1 PHE A 1 -22.218 15.233 4.381 1.00 2.25 H new ATOM 0 HE2 PHE A 1 -25.947 13.965 6.010 1.00 3.09 H new ATOM 0 HZ PHE A 1 -24.466 15.770 5.236 1.00 2.83 H new ATOM 23 N ASN A 2 -22.923 7.791 5.050 1.00 1.03 N ATOM 24 CA ASN A 2 -22.492 6.415 5.274 1.00 1.03 C ATOM 25 C ASN A 2 -22.937 5.507 4.137 1.00 0.98 C ATOM 26 O ASN A 2 -22.402 4.414 3.968 1.00 0.95 O ATOM 27 CB ASN A 2 -23.040 5.894 6.602 1.00 1.14 C ATOM 28 CG ASN A 2 -24.555 5.924 6.652 1.00 1.25 C ATOM 29 OD1 ASN A 2 -25.154 6.915 7.071 1.00 2.08 O ATOM 30 ND2 ASN A 2 -25.185 4.835 6.225 1.00 1.42 N ATOM 0 H ASN A 2 -23.615 8.129 5.719 1.00 1.03 H new ATOM 0 HA ASN A 2 -21.403 6.409 5.311 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -22.694 4.872 6.759 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -22.640 6.495 7.418 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -26.204 4.798 6.236 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -24.649 4.036 5.886 1.00 1.42 H new ATOM 37 N LYS A 3 -23.922 5.954 3.366 1.00 0.99 N ATOM 38 CA LYS A 3 -24.406 5.166 2.242 1.00 0.99 C ATOM 39 C LYS A 3 -23.257 4.885 1.283 1.00 0.88 C ATOM 40 O LYS A 3 -23.114 3.774 0.771 1.00 0.88 O ATOM 41 CB LYS A 3 -25.533 5.902 1.514 1.00 1.05 C ATOM 42 CG LYS A 3 -26.090 5.140 0.322 1.00 1.40 C ATOM 43 CD LYS A 3 -26.787 3.860 0.755 1.00 1.98 C ATOM 44 CE LYS A 3 -27.259 3.052 -0.442 1.00 2.69 C ATOM 45 NZ LYS A 3 -27.971 1.811 -0.030 1.00 3.23 N ATOM 0 H LYS A 3 -24.396 6.848 3.497 1.00 0.99 H new ATOM 0 HA LYS A 3 -24.801 4.222 2.617 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -26.341 6.098 2.218 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -25.163 6.870 1.175 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -26.793 5.773 -0.220 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -25.281 4.900 -0.368 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -26.105 3.258 1.356 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -27.639 4.105 1.389 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -27.921 3.664 -1.054 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -26.403 2.790 -1.063 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -28.276 1.289 -0.876 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -27.332 1.215 0.533 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -28.803 2.062 0.541 1.00 3.23 H new ATOM 59 N LYS A 4 -22.427 5.900 1.064 1.00 0.82 N ATOM 60 CA LYS A 4 -21.277 5.771 0.180 1.00 0.74 C ATOM 61 C LYS A 4 -20.131 5.073 0.900 1.00 0.69 C ATOM 62 O LYS A 4 -19.379 4.311 0.295 1.00 0.64 O ATOM 63 CB LYS A 4 -20.826 7.143 -0.326 1.00 0.74 C ATOM 64 CG LYS A 4 -21.827 7.811 -1.255 1.00 1.23 C ATOM 65 CD LYS A 4 -21.994 7.032 -2.550 1.00 1.54 C ATOM 66 CE LYS A 4 -22.972 7.718 -3.493 1.00 2.11 C ATOM 67 NZ LYS A 4 -22.505 9.075 -3.888 1.00 2.63 N ATOM 0 H LYS A 4 -22.531 6.822 1.488 1.00 0.82 H new ATOM 0 HA LYS A 4 -21.572 5.167 -0.678 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -20.646 7.795 0.529 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -19.876 7.033 -0.849 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -22.791 7.894 -0.753 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -21.496 8.825 -1.480 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -21.026 6.928 -3.041 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -22.348 6.025 -2.327 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -23.105 7.106 -4.385 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -23.947 7.796 -3.011 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -23.062 9.411 -4.700 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -22.627 9.730 -3.090 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -21.500 9.033 -4.151 1.00 2.63 H new ATOM 81 N ALA A 5 -20.007 5.339 2.199 1.00 0.73 N ATOM 82 CA ALA A 5 -18.957 4.730 3.003 1.00 0.73 C ATOM 83 C ALA A 5 -19.054 3.213 2.935 1.00 0.71 C ATOM 84 O ALA A 5 -18.073 2.527 2.645 1.00 0.64 O ATOM 85 CB ALA A 5 -19.037 5.211 4.444 1.00 0.82 C ATOM 0 H ALA A 5 -20.620 5.971 2.713 1.00 0.73 H new ATOM 0 HA ALA A 5 -17.991 5.033 2.599 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -18.244 4.744 5.028 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -18.919 6.294 4.473 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -20.005 4.940 4.865 1.00 0.82 H new ATOM 91 N ASP A 6 -20.250 2.694 3.201 1.00 0.80 N ATOM 92 CA ASP A 6 -20.483 1.258 3.151 1.00 0.81 C ATOM 93 C ASP A 6 -20.364 0.756 1.721 1.00 0.75 C ATOM 94 O ASP A 6 -19.899 -0.360 1.485 1.00 0.74 O ATOM 95 CB ASP A 6 -21.858 0.909 3.724 1.00 0.90 C ATOM 96 CG ASP A 6 -21.974 1.245 5.199 1.00 1.65 C ATOM 97 OD1 ASP A 6 -21.379 0.520 6.022 1.00 1.58 O ATOM 98 OD2 ASP A 6 -22.660 2.235 5.529 1.00 2.57 O ATOM 0 H ASP A 6 -21.069 3.247 3.453 1.00 0.80 H new ATOM 0 HA ASP A 6 -19.725 0.767 3.761 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -22.627 1.448 3.170 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -22.049 -0.155 3.581 1.00 0.90 H new ATOM 103 N GLU A 7 -20.794 1.580 0.766 1.00 0.74 N ATOM 104 CA GLU A 7 -20.696 1.212 -0.640 1.00 0.71 C ATOM 105 C GLU A 7 -19.250 0.878 -0.975 1.00 0.63 C ATOM 106 O GLU A 7 -18.969 0.032 -1.825 1.00 0.59 O ATOM 107 CB GLU A 7 -21.201 2.344 -1.541 1.00 0.72 C ATOM 108 CG GLU A 7 -22.696 2.284 -1.818 1.00 1.31 C ATOM 109 CD GLU A 7 -23.107 1.008 -2.528 1.00 1.58 C ATOM 110 OE1 GLU A 7 -23.101 0.995 -3.776 1.00 1.91 O ATOM 111 OE2 GLU A 7 -23.434 0.023 -1.834 1.00 2.10 O ATOM 0 H GLU A 7 -21.208 2.496 0.940 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.323 0.338 -0.818 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -20.965 3.301 -1.075 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.663 2.310 -2.488 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -23.240 2.363 -0.877 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -22.984 3.142 -2.425 1.00 1.31 H new ATOM 118 N ASN A 8 -18.334 1.561 -0.298 1.00 0.61 N ATOM 119 CA ASN A 8 -16.913 1.336 -0.503 1.00 0.54 C ATOM 120 C ASN A 8 -16.479 0.041 0.169 1.00 0.48 C ATOM 121 O ASN A 8 -15.663 -0.708 -0.368 1.00 0.39 O ATOM 122 CB ASN A 8 -16.102 2.499 0.064 1.00 0.62 C ATOM 123 CG ASN A 8 -16.654 3.847 -0.350 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.194 4.003 -1.445 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.525 4.829 0.533 1.00 0.55 N ATOM 0 H ASN A 8 -18.553 2.275 0.397 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.731 1.262 -1.575 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.090 2.433 1.152 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -15.068 2.415 -0.271 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -16.881 5.760 0.316 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.070 4.653 1.429 1.00 0.55 H new ATOM 132 N LYS A 9 -17.031 -0.213 1.351 1.00 0.57 N ATOM 133 CA LYS A 9 -16.713 -1.418 2.109 1.00 0.57 C ATOM 134 C LYS A 9 -16.996 -2.679 1.293 1.00 0.48 C ATOM 135 O LYS A 9 -16.216 -3.630 1.319 1.00 0.44 O ATOM 136 CB LYS A 9 -17.523 -1.445 3.409 1.00 0.72 C ATOM 137 CG LYS A 9 -16.804 -2.114 4.573 1.00 0.86 C ATOM 138 CD LYS A 9 -16.722 -3.624 4.405 1.00 1.55 C ATOM 139 CE LYS A 9 -18.095 -4.273 4.475 1.00 1.84 C ATOM 140 NZ LYS A 9 -18.017 -5.754 4.351 1.00 2.67 N ATOM 0 H LYS A 9 -17.704 0.403 1.807 1.00 0.57 H new ATOM 0 HA LYS A 9 -15.649 -1.399 2.343 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -17.774 -0.422 3.690 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -18.463 -1.966 3.228 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -15.798 -1.704 4.660 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -17.325 -1.881 5.502 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -16.257 -3.859 3.448 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -16.082 -4.042 5.182 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -18.572 -4.013 5.420 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -18.725 -3.875 3.680 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -18.974 -6.158 4.404 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -17.586 -6.004 3.438 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -17.437 -6.137 5.124 1.00 2.67 H new ATOM 154 N VAL A 10 -18.109 -2.679 0.563 1.00 0.48 N ATOM 155 CA VAL A 10 -18.491 -3.837 -0.242 1.00 0.44 C ATOM 156 C VAL A 10 -17.631 -3.975 -1.499 1.00 0.39 C ATOM 157 O VAL A 10 -17.130 -5.061 -1.794 1.00 0.37 O ATOM 158 CB VAL A 10 -19.980 -3.785 -0.643 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.868 -3.953 0.578 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.307 -2.486 -1.363 1.00 1.15 C ATOM 0 H VAL A 10 -18.759 -1.895 0.512 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.323 -4.710 0.388 1.00 0.44 H new ATOM 0 HB VAL A 10 -20.172 -4.610 -1.329 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.914 -3.914 0.275 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -20.662 -4.915 1.048 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.665 -3.151 1.288 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.363 -2.476 -1.634 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.093 -1.642 -0.707 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -19.700 -2.407 -2.265 1.00 1.15 H new ATOM 170 N LYS A 11 -17.462 -2.882 -2.238 1.00 0.38 N ATOM 171 CA LYS A 11 -16.663 -2.912 -3.462 1.00 0.37 C ATOM 172 C LYS A 11 -15.202 -3.234 -3.155 1.00 0.31 C ATOM 173 O LYS A 11 -14.500 -3.825 -3.978 1.00 0.30 O ATOM 174 CB LYS A 11 -16.765 -1.576 -4.206 1.00 0.40 C ATOM 175 CG LYS A 11 -16.107 -0.415 -3.479 1.00 0.39 C ATOM 176 CD LYS A 11 -16.197 0.878 -4.281 1.00 0.46 C ATOM 177 CE LYS A 11 -17.576 1.514 -4.187 1.00 1.37 C ATOM 178 NZ LYS A 11 -18.614 0.720 -4.902 1.00 1.69 N ATOM 0 H LYS A 11 -17.863 -1.971 -2.014 1.00 0.38 H new ATOM 0 HA LYS A 11 -17.060 -3.700 -4.101 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.307 -1.683 -5.189 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.817 -1.341 -4.368 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.585 -0.275 -2.509 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.060 -0.652 -3.288 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -15.448 1.582 -3.918 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -15.963 0.673 -5.326 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -17.857 1.615 -3.139 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -17.539 2.520 -4.605 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -19.253 1.363 -5.412 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -18.155 0.079 -5.580 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -19.160 0.163 -4.214 1.00 1.69 H new ATOM 192 N GLY A 12 -14.749 -2.839 -1.969 1.00 0.31 N ATOM 193 CA GLY A 12 -13.379 -3.094 -1.569 1.00 0.29 C ATOM 194 C GLY A 12 -13.164 -4.534 -1.151 1.00 0.27 C ATOM 195 O GLY A 12 -12.215 -5.182 -1.592 1.00 0.28 O ATOM 0 H GLY A 12 -15.310 -2.345 -1.276 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.710 -2.854 -2.395 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.115 -2.434 -0.743 1.00 0.29 H new ATOM 199 N GLU A 13 -14.052 -5.033 -0.295 1.00 0.26 N ATOM 200 CA GLU A 13 -13.966 -6.407 0.185 1.00 0.26 C ATOM 201 C GLU A 13 -14.026 -7.382 -0.984 1.00 0.23 C ATOM 202 O GLU A 13 -13.444 -8.466 -0.937 1.00 0.23 O ATOM 203 CB GLU A 13 -15.106 -6.694 1.166 1.00 0.30 C ATOM 204 CG GLU A 13 -14.993 -8.039 1.864 1.00 1.16 C ATOM 205 CD GLU A 13 -13.793 -8.116 2.789 1.00 1.67 C ATOM 206 OE1 GLU A 13 -13.904 -7.653 3.944 1.00 1.95 O ATOM 207 OE2 GLU A 13 -12.743 -8.636 2.358 1.00 2.39 O ATOM 0 H GLU A 13 -14.840 -4.505 0.080 1.00 0.26 H new ATOM 0 HA GLU A 13 -13.014 -6.537 0.700 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -15.132 -5.906 1.919 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -16.054 -6.653 0.629 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -15.902 -8.225 2.437 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -14.922 -8.828 1.115 1.00 1.16 H new ATOM 214 N ALA A 14 -14.727 -6.979 -2.037 1.00 0.22 N ATOM 215 CA ALA A 14 -14.873 -7.811 -3.223 1.00 0.21 C ATOM 216 C ALA A 14 -13.618 -7.764 -4.084 1.00 0.19 C ATOM 217 O ALA A 14 -13.183 -8.787 -4.612 1.00 0.23 O ATOM 218 CB ALA A 14 -16.085 -7.381 -4.031 1.00 0.23 C ATOM 0 H ALA A 14 -15.204 -6.079 -2.093 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.020 -8.840 -2.894 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.177 -8.014 -4.913 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -16.982 -7.477 -3.420 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.966 -6.343 -4.341 1.00 0.23 H new ATOM 224 N PHE A 15 -13.039 -6.572 -4.230 1.00 0.19 N ATOM 225 CA PHE A 15 -11.827 -6.416 -5.022 1.00 0.17 C ATOM 226 C PHE A 15 -10.735 -7.342 -4.504 1.00 0.15 C ATOM 227 O PHE A 15 -10.145 -8.108 -5.266 1.00 0.15 O ATOM 228 CB PHE A 15 -11.341 -4.962 -4.998 1.00 0.20 C ATOM 229 CG PHE A 15 -9.857 -4.821 -5.221 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.271 -5.257 -6.401 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.049 -4.261 -4.244 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.908 -5.136 -6.599 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.687 -4.138 -4.437 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.115 -4.577 -5.616 1.00 0.21 C ATOM 0 H PHE A 15 -13.389 -5.709 -3.813 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.058 -6.683 -6.053 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.871 -4.397 -5.765 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.600 -4.516 -4.038 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.886 -5.695 -7.173 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.490 -3.917 -3.320 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.464 -5.478 -7.522 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.069 -3.699 -3.667 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.050 -4.483 -5.768 1.00 0.21 H new ATOM 244 N LEU A 16 -10.468 -7.261 -3.205 1.00 0.16 N ATOM 245 CA LEU A 16 -9.446 -8.096 -2.588 1.00 0.18 C ATOM 246 C LEU A 16 -9.831 -9.572 -2.687 1.00 0.18 C ATOM 247 O LEU A 16 -8.973 -10.440 -2.863 1.00 0.19 O ATOM 248 CB LEU A 16 -9.235 -7.686 -1.129 1.00 0.24 C ATOM 249 CG LEU A 16 -10.424 -7.935 -0.199 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.342 -9.321 0.426 1.00 0.53 C ATOM 251 CD2 LEU A 16 -10.485 -6.865 0.880 1.00 0.55 C ATOM 0 H LEU A 16 -10.943 -6.628 -2.562 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.507 -7.953 -3.123 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.371 -8.225 -0.739 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.988 -6.625 -1.100 1.00 0.24 H new ATOM 0 HG LEU A 16 -11.338 -7.884 -0.791 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.198 -9.475 1.083 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -10.348 -10.076 -0.360 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -9.421 -9.406 1.003 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -11.336 -7.056 1.534 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -9.566 -6.886 1.465 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -10.597 -5.885 0.415 1.00 0.55 H new ATOM 263 N THR A 17 -11.132 -9.847 -2.579 1.00 0.19 N ATOM 264 CA THR A 17 -11.637 -11.213 -2.670 1.00 0.20 C ATOM 265 C THR A 17 -11.226 -11.843 -3.997 1.00 0.21 C ATOM 266 O THR A 17 -10.720 -12.965 -4.036 1.00 0.22 O ATOM 267 CB THR A 17 -13.174 -11.251 -2.534 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.550 -11.006 -1.174 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.741 -12.590 -2.984 1.00 0.27 C ATOM 0 H THR A 17 -11.852 -9.141 -2.429 1.00 0.19 H new ATOM 0 HA THR A 17 -11.203 -11.782 -1.848 1.00 0.20 H new ATOM 0 HB THR A 17 -13.584 -10.473 -3.178 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.236 -10.118 -0.903 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.825 -12.581 -2.875 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.483 -12.762 -4.029 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.321 -13.387 -2.371 1.00 0.27 H new ATOM 277 N GLU A 18 -11.451 -11.112 -5.081 1.00 0.21 N ATOM 278 CA GLU A 18 -11.088 -11.583 -6.411 1.00 0.22 C ATOM 279 C GLU A 18 -9.575 -11.523 -6.587 1.00 0.21 C ATOM 280 O GLU A 18 -8.985 -12.336 -7.297 1.00 0.24 O ATOM 281 CB GLU A 18 -11.774 -10.735 -7.485 1.00 0.23 C ATOM 282 CG GLU A 18 -13.293 -10.774 -7.416 1.00 1.25 C ATOM 283 CD GLU A 18 -13.856 -12.150 -7.717 1.00 1.71 C ATOM 284 OE1 GLU A 18 -13.991 -12.487 -8.912 1.00 2.02 O ATOM 285 OE2 GLU A 18 -14.161 -12.889 -6.759 1.00 2.47 O ATOM 0 H GLU A 18 -11.884 -10.189 -5.065 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.421 -12.615 -6.519 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -11.441 -9.702 -7.387 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.455 -11.081 -8.468 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -13.616 -10.463 -6.422 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -13.704 -10.055 -8.124 1.00 1.25 H new ATOM 292 N ASN A 19 -8.963 -10.544 -5.927 1.00 0.19 N ATOM 293 CA ASN A 19 -7.520 -10.347 -5.991 1.00 0.19 C ATOM 294 C ASN A 19 -6.758 -11.601 -5.577 1.00 0.21 C ATOM 295 O ASN A 19 -5.644 -11.836 -6.035 1.00 0.22 O ATOM 296 CB ASN A 19 -7.101 -9.189 -5.086 1.00 0.17 C ATOM 297 CG ASN A 19 -5.625 -9.247 -4.766 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.266 -10.115 -3.826 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.818 -8.538 -5.365 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.450 -9.870 -5.337 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.273 -10.119 -7.028 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.332 -8.242 -5.573 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.677 -9.221 -4.161 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -5.143 -7.886 -6.079 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.823 -8.602 -5.148 1.00 0.18 H new ATOM 306 N LYS A 20 -7.353 -12.383 -4.685 1.00 0.23 N ATOM 307 CA LYS A 20 -6.740 -13.618 -4.192 1.00 0.26 C ATOM 308 C LYS A 20 -6.098 -14.436 -5.317 1.00 0.27 C ATOM 309 O LYS A 20 -5.243 -15.285 -5.067 1.00 0.29 O ATOM 310 CB LYS A 20 -7.784 -14.470 -3.466 1.00 0.29 C ATOM 311 CG LYS A 20 -8.393 -13.791 -2.249 1.00 1.04 C ATOM 312 CD LYS A 20 -7.365 -13.580 -1.147 1.00 1.41 C ATOM 313 CE LYS A 20 -7.985 -12.909 0.068 1.00 1.75 C ATOM 314 NZ LYS A 20 -7.008 -12.757 1.181 1.00 2.45 N ATOM 0 H LYS A 20 -8.269 -12.184 -4.283 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.949 -13.331 -3.499 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.581 -14.725 -4.165 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.322 -15.407 -3.154 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -8.814 -12.829 -2.542 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -9.215 -14.397 -1.868 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -6.939 -14.540 -0.856 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -6.545 -12.968 -1.524 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -8.367 -11.928 -0.215 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -8.837 -13.496 0.411 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -7.487 -12.926 2.089 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -6.237 -13.445 1.063 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -6.616 -11.794 1.170 1.00 2.45 H new ATOM 328 N ASN A 21 -6.514 -14.176 -6.553 1.00 0.27 N ATOM 329 CA ASN A 21 -6.004 -14.905 -7.711 1.00 0.30 C ATOM 330 C ASN A 21 -4.537 -14.588 -8.001 1.00 0.28 C ATOM 331 O ASN A 21 -3.795 -15.455 -8.462 1.00 0.31 O ATOM 332 CB ASN A 21 -6.857 -14.589 -8.938 1.00 0.33 C ATOM 333 CG ASN A 21 -8.259 -15.146 -8.809 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.777 -15.162 -7.584 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.873 -15.551 -9.795 1.00 0.34 N flip ATOM 0 H ASN A 21 -7.207 -13.462 -6.779 1.00 0.27 H new ATOM 0 HA ASN A 21 -6.065 -15.968 -7.478 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.907 -13.509 -9.077 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.382 -15.004 -9.827 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -8.436 -15.520 -10.716 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.819 -15.918 -9.691 1.00 0.34 H new ATOM 342 N LYS A 22 -4.125 -13.347 -7.745 1.00 0.25 N ATOM 343 CA LYS A 22 -2.743 -12.932 -7.986 1.00 0.24 C ATOM 344 C LYS A 22 -1.759 -13.962 -7.429 1.00 0.24 C ATOM 345 O LYS A 22 -1.764 -14.247 -6.235 1.00 0.23 O ATOM 346 CB LYS A 22 -2.467 -11.564 -7.348 1.00 0.26 C ATOM 347 CG LYS A 22 -3.489 -10.483 -7.691 1.00 0.41 C ATOM 348 CD LYS A 22 -3.999 -10.601 -9.121 1.00 1.16 C ATOM 349 CE LYS A 22 -4.740 -9.346 -9.555 1.00 1.03 C ATOM 350 NZ LYS A 22 -5.212 -9.440 -10.964 1.00 1.40 N ATOM 0 H LYS A 22 -4.727 -12.613 -7.372 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.604 -12.857 -9.065 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.434 -11.683 -6.265 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.480 -11.224 -7.662 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -4.330 -10.550 -7.001 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -3.037 -9.501 -7.549 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.160 -10.780 -9.794 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -4.662 -11.462 -9.202 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -5.593 -9.182 -8.896 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -4.084 -8.482 -9.449 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -5.712 -8.565 -11.222 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -4.396 -9.571 -11.595 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -5.858 -10.249 -11.060 1.00 1.40 H new ATOM 364 N PRO A 23 -0.914 -14.558 -8.289 1.00 0.29 N ATOM 365 CA PRO A 23 0.073 -15.549 -7.848 1.00 0.33 C ATOM 366 C PRO A 23 1.002 -14.993 -6.774 1.00 0.33 C ATOM 367 O PRO A 23 1.491 -13.868 -6.887 1.00 0.34 O ATOM 368 CB PRO A 23 0.859 -15.874 -9.123 1.00 0.42 C ATOM 369 CG PRO A 23 -0.049 -15.497 -10.242 1.00 0.65 C ATOM 370 CD PRO A 23 -0.852 -14.329 -9.745 1.00 0.35 C ATOM 0 HA PRO A 23 -0.400 -16.421 -7.397 1.00 0.33 H new ATOM 0 HB2 PRO A 23 1.792 -15.312 -9.165 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.121 -16.931 -9.166 1.00 0.42 H new ATOM 0 HG2 PRO A 23 0.519 -15.230 -11.133 1.00 0.65 H new ATOM 0 HG3 PRO A 23 -0.698 -16.329 -10.516 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.372 -13.380 -9.983 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.846 -14.305 -10.192 1.00 0.35 H new ATOM 378 N GLY A 24 1.244 -15.785 -5.733 1.00 0.34 N ATOM 379 CA GLY A 24 2.127 -15.356 -4.663 1.00 0.37 C ATOM 380 C GLY A 24 1.426 -14.586 -3.556 1.00 0.33 C ATOM 381 O GLY A 24 2.083 -14.116 -2.626 1.00 0.36 O ATOM 0 H GLY A 24 0.845 -16.716 -5.612 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.611 -16.232 -4.232 1.00 0.37 H new ATOM 0 HA3 GLY A 24 2.915 -14.731 -5.084 1.00 0.37 H new ATOM 385 N VAL A 25 0.103 -14.446 -3.643 1.00 0.29 N ATOM 386 CA VAL A 25 -0.648 -13.731 -2.608 1.00 0.29 C ATOM 387 C VAL A 25 -0.310 -14.290 -1.231 1.00 0.26 C ATOM 388 O VAL A 25 -0.655 -15.427 -0.906 1.00 0.31 O ATOM 389 CB VAL A 25 -2.176 -13.807 -2.842 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.950 -13.512 -1.561 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.595 -12.836 -3.934 1.00 0.81 C ATOM 0 H VAL A 25 -0.465 -14.812 -4.407 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.355 -12.683 -2.661 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.412 -14.824 -3.156 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -4.020 -13.574 -1.760 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.680 -14.241 -0.797 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.703 -12.510 -1.209 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.672 -12.902 -4.086 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.332 -11.820 -3.638 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -2.082 -13.088 -4.862 1.00 0.81 H new ATOM 401 N VAL A 26 0.371 -13.482 -0.429 1.00 0.24 N ATOM 402 CA VAL A 26 0.772 -13.888 0.909 1.00 0.27 C ATOM 403 C VAL A 26 0.329 -12.865 1.948 1.00 0.25 C ATOM 404 O VAL A 26 0.509 -11.661 1.766 1.00 0.25 O ATOM 405 CB VAL A 26 2.300 -14.074 0.994 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.012 -12.901 0.345 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.750 -14.245 2.439 1.00 1.03 C ATOM 0 H VAL A 26 0.658 -12.537 -0.685 1.00 0.24 H new ATOM 0 HA VAL A 26 0.285 -14.840 1.119 1.00 0.27 H new ATOM 0 HB VAL A 26 2.564 -14.982 0.452 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.090 -13.047 0.413 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.720 -12.833 -0.703 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.738 -11.979 0.858 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.832 -14.374 2.470 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.474 -13.361 3.013 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.267 -15.122 2.869 1.00 1.03 H new ATOM 417 N VAL A 27 -0.251 -13.356 3.036 1.00 0.29 N ATOM 418 CA VAL A 27 -0.718 -12.490 4.108 1.00 0.29 C ATOM 419 C VAL A 27 0.409 -12.179 5.089 1.00 0.31 C ATOM 420 O VAL A 27 1.234 -13.039 5.396 1.00 0.35 O ATOM 421 CB VAL A 27 -1.895 -13.127 4.876 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.499 -14.487 5.431 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.371 -12.207 5.990 1.00 0.91 C ATOM 0 H VAL A 27 -0.409 -14.351 3.198 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.059 -11.565 3.644 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.721 -13.271 4.179 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.342 -14.920 5.969 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.215 -15.146 4.611 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -0.655 -14.371 6.111 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.201 -12.675 6.519 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.553 -12.026 6.687 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.701 -11.260 5.564 1.00 0.91 H new ATOM 433 N LEU A 28 0.436 -10.943 5.577 1.00 0.32 N ATOM 434 CA LEU A 28 1.458 -10.516 6.523 1.00 0.36 C ATOM 435 C LEU A 28 0.919 -10.543 7.952 1.00 0.40 C ATOM 436 O LEU A 28 -0.288 -10.675 8.152 1.00 0.38 O ATOM 437 CB LEU A 28 1.945 -9.105 6.174 1.00 0.35 C ATOM 438 CG LEU A 28 2.665 -8.975 4.830 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.187 -7.561 4.641 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.805 -9.981 4.736 1.00 0.38 C ATOM 0 H LEU A 28 -0.240 -10.219 5.332 1.00 0.32 H new ATOM 0 HA LEU A 28 2.296 -11.210 6.457 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.087 -8.432 6.175 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.617 -8.765 6.962 1.00 0.35 H new ATOM 0 HG LEU A 28 1.951 -9.188 4.035 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.696 -7.487 3.680 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.353 -6.859 4.665 1.00 0.37 H new ATOM 0 HD13 LEU A 28 3.887 -7.321 5.442 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.306 -9.874 3.774 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.519 -9.798 5.539 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.407 -10.992 4.828 1.00 0.38 H new ATOM 452 N PRO A 29 1.797 -10.445 8.969 1.00 0.46 N ATOM 453 CA PRO A 29 1.364 -10.440 10.367 1.00 0.51 C ATOM 454 C PRO A 29 0.298 -9.377 10.619 1.00 0.47 C ATOM 455 O PRO A 29 -0.570 -9.543 11.477 1.00 0.49 O ATOM 456 CB PRO A 29 2.644 -10.115 11.141 1.00 0.59 C ATOM 457 CG PRO A 29 3.750 -10.566 10.253 1.00 0.59 C ATOM 458 CD PRO A 29 3.267 -10.351 8.845 1.00 0.50 C ATOM 0 HA PRO A 29 0.911 -11.386 10.664 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.718 -9.049 11.354 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.669 -10.634 12.099 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.660 -9.997 10.444 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.987 -11.615 10.428 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.576 -9.380 8.458 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.662 -11.106 8.165 1.00 0.50 H new ATOM 466 N SER A 30 0.369 -8.287 9.858 1.00 0.43 N ATOM 467 CA SER A 30 -0.589 -7.196 9.992 1.00 0.41 C ATOM 468 C SER A 30 -1.837 -7.455 9.148 1.00 0.36 C ATOM 469 O SER A 30 -2.854 -6.782 9.313 1.00 0.36 O ATOM 470 CB SER A 30 0.055 -5.865 9.597 1.00 0.43 C ATOM 471 OG SER A 30 -0.885 -4.807 9.645 1.00 1.14 O ATOM 0 H SER A 30 1.081 -8.137 9.143 1.00 0.43 H new ATOM 0 HA SER A 30 -0.892 -7.140 11.038 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.886 -5.647 10.268 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.468 -5.942 8.591 1.00 0.43 H new ATOM 0 HG SER A 30 -0.513 -4.062 10.162 1.00 1.14 H new ATOM 477 N GLY A 31 -1.760 -8.441 8.253 1.00 0.34 N ATOM 478 CA GLY A 31 -2.905 -8.774 7.424 1.00 0.31 C ATOM 479 C GLY A 31 -2.802 -8.285 5.990 1.00 0.27 C ATOM 480 O GLY A 31 -3.800 -8.266 5.269 1.00 0.30 O ATOM 0 H GLY A 31 -0.930 -9.011 8.090 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.032 -9.857 7.418 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -3.802 -8.350 7.876 1.00 0.31 H new ATOM 484 N LEU A 32 -1.607 -7.888 5.568 1.00 0.25 N ATOM 485 CA LEU A 32 -1.417 -7.387 4.210 1.00 0.25 C ATOM 486 C LEU A 32 -1.180 -8.495 3.192 1.00 0.22 C ATOM 487 O LEU A 32 -0.461 -9.458 3.448 1.00 0.23 O ATOM 488 CB LEU A 32 -0.253 -6.405 4.155 1.00 0.35 C ATOM 489 CG LEU A 32 -0.534 -5.056 4.804 1.00 0.44 C ATOM 490 CD1 LEU A 32 -0.353 -5.151 6.307 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.368 -3.983 4.217 1.00 1.35 C ATOM 0 H LEU A 32 -0.762 -7.902 6.139 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.347 -6.885 3.944 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.610 -6.856 4.644 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.020 -6.243 3.112 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.567 -4.777 4.598 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.557 -4.181 6.760 1.00 1.19 H new ATOM 0 HD12 LEU A 32 -1.043 -5.892 6.710 1.00 1.19 H new ATOM 0 HD13 LEU A 32 0.671 -5.449 6.532 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.153 -3.026 4.693 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.411 -4.249 4.392 1.00 1.35 H new ATOM 0 HD23 LEU A 32 0.189 -3.903 3.145 1.00 1.35 H new ATOM 503 N GLN A 33 -1.798 -8.328 2.030 1.00 0.23 N ATOM 504 CA GLN A 33 -1.648 -9.258 0.919 1.00 0.22 C ATOM 505 C GLN A 33 -0.980 -8.524 -0.237 1.00 0.21 C ATOM 506 O GLN A 33 -1.233 -7.336 -0.442 1.00 0.21 O ATOM 507 CB GLN A 33 -3.008 -9.805 0.480 1.00 0.26 C ATOM 508 CG GLN A 33 -3.666 -10.722 1.499 1.00 0.33 C ATOM 509 CD GLN A 33 -4.123 -9.980 2.742 1.00 0.98 C ATOM 510 OE1 GLN A 33 -4.462 -8.798 2.683 1.00 1.75 O ATOM 511 NE2 GLN A 33 -4.135 -10.674 3.874 1.00 1.69 N ATOM 0 H GLN A 33 -2.418 -7.543 1.831 1.00 0.23 H new ATOM 0 HA GLN A 33 -1.035 -10.103 1.232 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.676 -8.968 0.276 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.884 -10.349 -0.456 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -4.522 -11.215 1.039 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -2.963 -11.505 1.785 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -3.845 -11.652 3.876 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -4.434 -10.229 4.742 1.00 1.69 H new ATOM 520 N TYR A 34 -0.128 -9.209 -0.990 1.00 0.20 N ATOM 521 CA TYR A 34 0.572 -8.556 -2.095 1.00 0.19 C ATOM 522 C TYR A 34 1.116 -9.546 -3.121 1.00 0.18 C ATOM 523 O TYR A 34 1.030 -10.761 -2.948 1.00 0.19 O ATOM 524 CB TYR A 34 1.721 -7.713 -1.547 1.00 0.19 C ATOM 525 CG TYR A 34 2.692 -8.499 -0.695 1.00 0.19 C ATOM 526 CD1 TYR A 34 2.355 -8.887 0.595 1.00 0.31 C ATOM 527 CD2 TYR A 34 3.941 -8.860 -1.181 1.00 0.25 C ATOM 528 CE1 TYR A 34 3.233 -9.606 1.374 1.00 0.32 C ATOM 529 CE2 TYR A 34 4.825 -9.582 -0.405 1.00 0.30 C ATOM 530 CZ TYR A 34 4.468 -9.952 0.871 1.00 0.26 C ATOM 531 OH TYR A 34 5.347 -10.672 1.648 1.00 0.31 O ATOM 0 H TYR A 34 0.094 -10.196 -0.862 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.157 -7.928 -2.607 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.262 -7.264 -2.380 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.311 -6.894 -0.955 1.00 0.19 H new ATOM 0 HD1 TYR A 34 1.388 -8.620 0.994 1.00 0.31 H new ATOM 0 HD2 TYR A 34 4.226 -8.571 -2.182 1.00 0.25 H new ATOM 0 HE1 TYR A 34 2.955 -9.898 2.376 1.00 0.32 H new ATOM 0 HE2 TYR A 34 5.793 -9.855 -0.798 1.00 0.30 H new ATOM 0 HH TYR A 34 6.210 -10.209 1.681 1.00 0.31 H new ATOM 541 N LYS A 35 1.678 -8.992 -4.196 1.00 0.18 N ATOM 542 CA LYS A 35 2.272 -9.792 -5.265 1.00 0.20 C ATOM 543 C LYS A 35 3.746 -9.403 -5.434 1.00 0.18 C ATOM 544 O LYS A 35 4.063 -8.267 -5.784 1.00 0.19 O ATOM 545 CB LYS A 35 1.506 -9.561 -6.573 1.00 0.27 C ATOM 546 CG LYS A 35 1.690 -10.662 -7.608 1.00 0.35 C ATOM 547 CD LYS A 35 1.478 -10.132 -9.017 1.00 0.99 C ATOM 548 CE LYS A 35 1.662 -11.227 -10.058 1.00 1.58 C ATOM 549 NZ LYS A 35 3.043 -11.784 -10.043 1.00 2.15 N ATOM 0 H LYS A 35 1.734 -7.985 -4.349 1.00 0.18 H new ATOM 0 HA LYS A 35 2.211 -10.849 -5.008 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.444 -9.465 -6.347 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.827 -8.614 -7.006 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.692 -11.082 -7.522 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.987 -11.471 -7.411 1.00 0.35 H new ATOM 0 HD2 LYS A 35 0.476 -9.712 -9.102 1.00 0.99 H new ATOM 0 HD3 LYS A 35 2.180 -9.322 -9.212 1.00 0.99 H new ATOM 0 HE2 LYS A 35 0.946 -12.028 -9.873 1.00 1.58 H new ATOM 0 HE3 LYS A 35 1.443 -10.827 -11.048 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 3.194 -12.360 -10.896 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 3.731 -11.005 -10.024 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 3.169 -12.377 -9.198 1.00 2.15 H new ATOM 563 N VAL A 36 4.638 -10.361 -5.183 1.00 0.19 N ATOM 564 CA VAL A 36 6.083 -10.131 -5.264 1.00 0.19 C ATOM 565 C VAL A 36 6.610 -10.118 -6.696 1.00 0.22 C ATOM 566 O VAL A 36 6.394 -11.057 -7.461 1.00 0.28 O ATOM 567 CB VAL A 36 6.860 -11.194 -4.465 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.360 -10.945 -4.551 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.396 -11.212 -3.019 1.00 0.30 C ATOM 0 H VAL A 36 4.383 -11.313 -4.919 1.00 0.19 H new ATOM 0 HA VAL A 36 6.244 -9.142 -4.834 1.00 0.19 H new ATOM 0 HB VAL A 36 6.657 -12.171 -4.903 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.889 -11.708 -3.979 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.677 -10.988 -5.593 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.590 -9.961 -4.142 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.954 -11.968 -2.467 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.568 -10.234 -2.570 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.332 -11.447 -2.981 1.00 0.30 H new ATOM 579 N ILE A 37 7.309 -9.039 -7.041 1.00 0.22 N ATOM 580 CA ILE A 37 7.901 -8.893 -8.365 1.00 0.26 C ATOM 581 C ILE A 37 9.402 -9.189 -8.323 1.00 0.25 C ATOM 582 O ILE A 37 9.864 -10.165 -8.914 1.00 0.30 O ATOM 583 CB ILE A 37 7.675 -7.478 -8.932 1.00 0.29 C ATOM 584 CG1 ILE A 37 6.175 -7.185 -9.029 1.00 0.31 C ATOM 585 CG2 ILE A 37 8.340 -7.340 -10.296 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.855 -5.759 -9.421 1.00 0.65 C ATOM 0 H ILE A 37 7.479 -8.250 -6.417 1.00 0.22 H new ATOM 0 HA ILE A 37 7.408 -9.612 -9.019 1.00 0.26 H new ATOM 0 HB ILE A 37 8.128 -6.751 -8.257 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.729 -7.861 -9.758 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.709 -7.401 -8.067 1.00 0.31 H new ATOM 0 HG21 ILE A 37 8.171 -6.335 -10.683 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.411 -7.516 -10.198 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.914 -8.070 -10.984 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.774 -5.629 -9.469 1.00 0.65 H new ATOM 0 HD12 ILE A 37 6.270 -5.076 -8.680 1.00 0.65 H new ATOM 0 HD13 ILE A 37 6.290 -5.544 -10.397 1.00 0.65 H new ATOM 598 N ASN A 38 10.160 -8.345 -7.619 1.00 0.21 N ATOM 599 CA ASN A 38 11.605 -8.532 -7.502 1.00 0.22 C ATOM 600 C ASN A 38 12.116 -8.023 -6.154 1.00 0.29 C ATOM 601 O ASN A 38 12.630 -6.911 -6.054 1.00 0.44 O ATOM 602 CB ASN A 38 12.329 -7.814 -8.643 1.00 0.31 C ATOM 603 CG ASN A 38 13.838 -7.928 -8.536 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.437 -8.883 -9.030 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.461 -6.947 -7.891 1.00 0.56 N ATOM 0 H ASN A 38 9.798 -7.530 -7.124 1.00 0.21 H new ATOM 0 HA ASN A 38 11.813 -9.600 -7.566 1.00 0.22 H new ATOM 0 HB2 ASN A 38 12.003 -8.231 -9.596 1.00 0.31 H new ATOM 0 HB3 ASN A 38 12.046 -6.761 -8.643 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.476 -6.967 -7.790 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.924 -6.174 -7.497 1.00 0.56 H new ATOM 612 N SER A 39 11.956 -8.841 -5.117 1.00 0.28 N ATOM 613 CA SER A 39 12.398 -8.476 -3.773 1.00 0.37 C ATOM 614 C SER A 39 13.646 -9.248 -3.353 1.00 0.29 C ATOM 615 O SER A 39 13.827 -10.407 -3.728 1.00 0.33 O ATOM 616 CB SER A 39 11.281 -8.723 -2.763 1.00 0.58 C ATOM 617 OG SER A 39 11.719 -8.454 -1.443 1.00 1.50 O ATOM 0 H SER A 39 11.523 -9.762 -5.181 1.00 0.28 H new ATOM 0 HA SER A 39 12.649 -7.415 -3.793 1.00 0.37 H new ATOM 0 HB2 SER A 39 10.425 -8.092 -3.001 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.944 -9.757 -2.834 1.00 0.58 H new ATOM 0 HG SER A 39 10.985 -8.618 -0.815 1.00 1.50 H new ATOM 623 N GLY A 40 14.505 -8.594 -2.574 1.00 0.34 N ATOM 624 CA GLY A 40 15.715 -9.238 -2.096 1.00 0.36 C ATOM 625 C GLY A 40 16.941 -8.874 -2.904 1.00 0.50 C ATOM 626 O GLY A 40 17.165 -9.429 -3.982 1.00 1.09 O ATOM 0 H GLY A 40 14.383 -7.629 -2.266 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.879 -8.962 -1.054 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.578 -10.319 -2.122 1.00 0.36 H new ATOM 630 N ASN A 41 17.744 -7.948 -2.380 1.00 0.42 N ATOM 631 CA ASN A 41 18.960 -7.517 -3.062 1.00 0.47 C ATOM 632 C ASN A 41 19.733 -6.487 -2.238 1.00 0.37 C ATOM 633 O ASN A 41 20.902 -6.692 -1.914 1.00 0.36 O ATOM 634 CB ASN A 41 18.625 -6.942 -4.443 1.00 0.60 C ATOM 635 CG ASN A 41 17.671 -5.765 -4.373 1.00 0.82 C ATOM 636 OD1 ASN A 41 18.096 -4.612 -4.315 1.00 1.70 O ATOM 637 ND2 ASN A 41 16.372 -6.050 -4.374 1.00 0.66 N ATOM 0 H ASN A 41 17.573 -7.484 -1.488 1.00 0.42 H new ATOM 0 HA ASN A 41 19.596 -8.394 -3.185 1.00 0.47 H new ATOM 0 HB2 ASN A 41 19.546 -6.629 -4.934 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.185 -7.725 -5.061 1.00 0.60 H new ATOM 0 HD21 ASN A 41 15.685 -5.298 -4.325 1.00 0.66 H new ATOM 0 HD22 ASN A 41 16.063 -7.021 -4.423 1.00 0.66 H new ATOM 644 N GLY A 42 19.076 -5.379 -1.902 1.00 0.35 N ATOM 645 CA GLY A 42 19.729 -4.328 -1.139 1.00 0.33 C ATOM 646 C GLY A 42 19.591 -4.478 0.366 1.00 0.33 C ATOM 647 O GLY A 42 18.770 -5.251 0.859 1.00 0.34 O ATOM 0 H GLY A 42 18.103 -5.190 -2.144 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.788 -4.311 -1.396 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.313 -3.365 -1.437 1.00 0.33 H new ATOM 651 N VAL A 43 20.415 -3.722 1.083 1.00 0.32 N ATOM 652 CA VAL A 43 20.424 -3.707 2.544 1.00 0.32 C ATOM 653 C VAL A 43 19.466 -2.631 3.055 1.00 0.29 C ATOM 654 O VAL A 43 18.925 -1.870 2.256 1.00 0.28 O ATOM 655 CB VAL A 43 21.844 -3.437 3.088 1.00 0.36 C ATOM 656 CG1 VAL A 43 21.969 -3.880 4.538 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.889 -4.126 2.223 1.00 1.42 C ATOM 0 H VAL A 43 21.103 -3.096 0.664 1.00 0.32 H new ATOM 0 HA VAL A 43 20.101 -4.686 2.897 1.00 0.32 H new ATOM 0 HB VAL A 43 22.020 -2.362 3.050 1.00 0.36 H new ATOM 0 HG11 VAL A 43 22.979 -3.678 4.894 1.00 1.36 H new ATOM 0 HG12 VAL A 43 21.252 -3.332 5.149 1.00 1.36 H new ATOM 0 HG13 VAL A 43 21.766 -4.948 4.611 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.883 -3.924 2.623 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.710 -5.201 2.223 1.00 1.42 H new ATOM 0 HG23 VAL A 43 22.824 -3.747 1.203 1.00 1.42 H new ATOM 667 N LYS A 44 19.287 -2.554 4.380 1.00 0.29 N ATOM 668 CA LYS A 44 18.392 -1.563 4.995 1.00 0.28 C ATOM 669 C LYS A 44 18.062 -1.902 6.452 1.00 0.29 C ATOM 670 O LYS A 44 18.147 -3.053 6.879 1.00 0.32 O ATOM 671 CB LYS A 44 17.063 -1.476 4.232 1.00 0.29 C ATOM 672 CG LYS A 44 16.231 -2.746 4.312 1.00 0.39 C ATOM 673 CD LYS A 44 14.778 -2.487 3.949 1.00 1.17 C ATOM 674 CE LYS A 44 14.076 -1.643 4.999 1.00 1.63 C ATOM 675 NZ LYS A 44 12.651 -1.391 4.647 1.00 2.18 N ATOM 0 H LYS A 44 19.751 -3.168 5.049 1.00 0.29 H new ATOM 0 HA LYS A 44 18.927 -0.614 4.955 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.480 -0.644 4.628 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.269 -1.252 3.185 1.00 0.29 H new ATOM 0 HG2 LYS A 44 16.646 -3.497 3.640 1.00 0.39 H new ATOM 0 HG3 LYS A 44 16.287 -3.156 5.321 1.00 0.39 H new ATOM 0 HD2 LYS A 44 14.729 -1.982 2.984 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.256 -3.437 3.838 1.00 1.17 H new ATOM 0 HE2 LYS A 44 14.128 -2.147 5.964 1.00 1.63 H new ATOM 0 HE3 LYS A 44 14.597 -0.692 5.108 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 12.513 -0.377 4.462 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 12.402 -1.935 3.796 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 12.041 -1.685 5.437 1.00 2.18 H new ATOM 689 N PRO A 45 17.677 -0.860 7.223 1.00 0.29 N ATOM 690 CA PRO A 45 17.308 -0.955 8.634 1.00 0.30 C ATOM 691 C PRO A 45 15.850 -1.351 8.849 1.00 0.30 C ATOM 692 O PRO A 45 15.071 -1.455 7.902 1.00 0.29 O ATOM 693 CB PRO A 45 17.559 0.455 9.189 1.00 0.27 C ATOM 694 CG PRO A 45 17.934 1.313 8.021 1.00 0.30 C ATOM 695 CD PRO A 45 17.603 0.536 6.777 1.00 0.30 C ATOM 0 HA PRO A 45 17.888 -1.732 9.132 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.668 0.841 9.683 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.356 0.443 9.933 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.386 2.255 8.044 1.00 0.30 H new ATOM 0 HG3 PRO A 45 18.995 1.560 8.050 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.612 0.786 6.398 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.312 0.740 5.974 1.00 0.30 H new ATOM 703 N GLY A 46 15.500 -1.566 10.112 1.00 0.32 N ATOM 704 CA GLY A 46 14.151 -1.954 10.479 1.00 0.35 C ATOM 705 C GLY A 46 13.165 -0.833 10.221 1.00 0.33 C ATOM 706 O GLY A 46 13.519 0.152 9.584 1.00 0.28 O ATOM 0 H GLY A 46 16.140 -1.476 10.901 1.00 0.32 H new ATOM 0 HA2 GLY A 46 13.857 -2.837 9.911 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.124 -2.229 11.533 1.00 0.35 H new ATOM 710 N LYS A 47 11.921 -1.008 10.669 1.00 0.37 N ATOM 711 CA LYS A 47 10.850 -0.023 10.449 1.00 0.37 C ATOM 712 C LYS A 47 11.310 1.433 10.628 1.00 0.34 C ATOM 713 O LYS A 47 10.591 2.356 10.249 1.00 0.35 O ATOM 714 CB LYS A 47 9.688 -0.298 11.402 1.00 0.44 C ATOM 715 CG LYS A 47 9.167 -1.725 11.336 1.00 0.99 C ATOM 716 CD LYS A 47 8.054 -1.966 12.346 1.00 0.94 C ATOM 717 CE LYS A 47 8.548 -1.809 13.776 1.00 1.85 C ATOM 718 NZ LYS A 47 9.660 -2.748 14.087 1.00 2.35 N ATOM 0 H LYS A 47 11.624 -1.831 11.193 1.00 0.37 H new ATOM 0 HA LYS A 47 10.539 -0.137 9.411 1.00 0.37 H new ATOM 0 HB2 LYS A 47 10.008 -0.084 12.422 1.00 0.44 H new ATOM 0 HB3 LYS A 47 8.872 0.388 11.174 1.00 0.44 H new ATOM 0 HG2 LYS A 47 8.798 -1.931 10.331 1.00 0.99 H new ATOM 0 HG3 LYS A 47 9.985 -2.420 11.524 1.00 0.99 H new ATOM 0 HD2 LYS A 47 7.239 -1.265 12.164 1.00 0.94 H new ATOM 0 HD3 LYS A 47 7.649 -2.969 12.209 1.00 0.94 H new ATOM 0 HE2 LYS A 47 8.884 -0.784 13.933 1.00 1.85 H new ATOM 0 HE3 LYS A 47 7.722 -1.983 14.466 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 9.820 -2.769 15.114 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 9.412 -3.702 13.756 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 10.527 -2.430 13.608 1.00 2.35 H new ATOM 732 N SER A 48 12.487 1.645 11.204 1.00 0.31 N ATOM 733 CA SER A 48 13.005 2.998 11.387 1.00 0.31 C ATOM 734 C SER A 48 13.746 3.459 10.127 1.00 0.27 C ATOM 735 O SER A 48 14.370 4.520 10.109 1.00 0.29 O ATOM 736 CB SER A 48 13.939 3.051 12.597 1.00 0.32 C ATOM 737 OG SER A 48 14.450 4.359 12.794 1.00 1.45 O ATOM 0 H SER A 48 13.098 0.905 11.550 1.00 0.31 H new ATOM 0 HA SER A 48 12.165 3.670 11.565 1.00 0.31 H new ATOM 0 HB2 SER A 48 13.401 2.730 13.489 1.00 0.32 H new ATOM 0 HB3 SER A 48 14.764 2.353 12.454 1.00 0.32 H new ATOM 0 HG SER A 48 14.528 4.813 11.929 1.00 1.45 H new ATOM 743 N ASP A 49 13.660 2.642 9.078 1.00 0.25 N ATOM 744 CA ASP A 49 14.315 2.923 7.800 1.00 0.24 C ATOM 745 C ASP A 49 13.557 3.969 6.985 1.00 0.23 C ATOM 746 O ASP A 49 12.336 4.081 7.075 1.00 0.29 O ATOM 747 CB ASP A 49 14.419 1.635 6.983 1.00 0.26 C ATOM 748 CG ASP A 49 13.070 1.147 6.492 1.00 0.74 C ATOM 749 OD1 ASP A 49 12.632 1.600 5.414 1.00 0.53 O ATOM 750 OD2 ASP A 49 12.453 0.312 7.185 1.00 1.73 O ATOM 0 H ASP A 49 13.135 1.768 9.089 1.00 0.25 H new ATOM 0 HA ASP A 49 15.306 3.319 8.020 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.074 1.803 6.128 1.00 0.26 H new ATOM 0 HB3 ASP A 49 14.883 0.859 7.592 1.00 0.26 H new ATOM 755 N THR A 50 14.295 4.724 6.177 1.00 0.26 N ATOM 756 CA THR A 50 13.714 5.751 5.319 1.00 0.28 C ATOM 757 C THR A 50 14.172 5.506 3.887 1.00 0.33 C ATOM 758 O THR A 50 15.371 5.531 3.609 1.00 0.44 O ATOM 759 CB THR A 50 14.145 7.164 5.755 1.00 0.36 C ATOM 760 OG1 THR A 50 13.754 7.400 7.112 1.00 0.39 O ATOM 761 CG2 THR A 50 13.527 8.224 4.855 1.00 0.42 C ATOM 0 H THR A 50 15.309 4.642 6.099 1.00 0.26 H new ATOM 0 HA THR A 50 12.628 5.693 5.395 1.00 0.28 H new ATOM 0 HB THR A 50 15.230 7.227 5.672 1.00 0.36 H new ATOM 0 HG1 THR A 50 14.034 8.300 7.381 1.00 0.39 H new ATOM 0 HG21 THR A 50 13.847 9.213 5.184 1.00 0.42 H new ATOM 0 HG22 THR A 50 13.850 8.062 3.827 1.00 0.42 H new ATOM 0 HG23 THR A 50 12.440 8.158 4.908 1.00 0.42 H new ATOM 769 N VAL A 51 13.235 5.269 2.979 1.00 0.29 N ATOM 770 CA VAL A 51 13.595 4.993 1.595 1.00 0.37 C ATOM 771 C VAL A 51 12.916 5.943 0.617 1.00 0.30 C ATOM 772 O VAL A 51 11.890 6.547 0.926 1.00 0.29 O ATOM 773 CB VAL A 51 13.233 3.546 1.205 1.00 0.51 C ATOM 774 CG1 VAL A 51 13.825 2.560 2.197 1.00 0.65 C ATOM 775 CG2 VAL A 51 11.723 3.374 1.117 1.00 0.53 C ATOM 0 H VAL A 51 12.233 5.262 3.172 1.00 0.29 H new ATOM 0 HA VAL A 51 14.673 5.139 1.531 1.00 0.37 H new ATOM 0 HB VAL A 51 13.658 3.342 0.222 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.558 1.545 1.904 1.00 0.65 H new ATOM 0 HG12 VAL A 51 14.910 2.661 2.207 1.00 0.65 H new ATOM 0 HG13 VAL A 51 13.432 2.765 3.193 1.00 0.65 H new ATOM 0 HG21 VAL A 51 11.489 2.346 0.841 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.274 3.601 2.084 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.323 4.052 0.363 1.00 0.53 H new ATOM 785 N THR A 52 13.506 6.060 -0.568 1.00 0.27 N ATOM 786 CA THR A 52 12.960 6.902 -1.618 1.00 0.23 C ATOM 787 C THR A 52 12.487 6.016 -2.758 1.00 0.19 C ATOM 788 O THR A 52 13.274 5.269 -3.339 1.00 0.17 O ATOM 789 CB THR A 52 14.004 7.903 -2.148 1.00 0.26 C ATOM 790 OG1 THR A 52 14.500 8.711 -1.073 1.00 0.32 O ATOM 791 CG2 THR A 52 13.402 8.799 -3.223 1.00 0.26 C ATOM 0 H THR A 52 14.368 5.578 -0.823 1.00 0.27 H new ATOM 0 HA THR A 52 12.131 7.475 -1.203 1.00 0.23 H new ATOM 0 HB THR A 52 14.825 7.336 -2.587 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.164 9.343 -1.419 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.159 9.497 -3.581 1.00 0.26 H new ATOM 0 HG22 THR A 52 13.052 8.186 -4.053 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.564 9.356 -2.805 1.00 0.26 H new ATOM 799 N VAL A 53 11.205 6.102 -3.083 1.00 0.19 N ATOM 800 CA VAL A 53 10.642 5.276 -4.138 1.00 0.18 C ATOM 801 C VAL A 53 9.616 6.032 -4.969 1.00 0.19 C ATOM 802 O VAL A 53 9.335 7.205 -4.728 1.00 0.23 O ATOM 803 CB VAL A 53 9.961 4.025 -3.547 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.914 3.282 -2.627 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.687 4.403 -2.804 1.00 0.24 C ATOM 0 H VAL A 53 10.540 6.732 -2.634 1.00 0.19 H new ATOM 0 HA VAL A 53 11.473 4.986 -4.780 1.00 0.18 H new ATOM 0 HB VAL A 53 9.692 3.364 -4.371 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.415 2.403 -2.220 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.795 2.972 -3.189 1.00 0.22 H new ATOM 0 HG13 VAL A 53 11.217 3.938 -1.811 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.224 3.505 -2.396 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.929 5.088 -1.991 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.994 4.887 -3.492 1.00 0.24 H new ATOM 815 N GLU A 54 9.064 5.335 -5.954 1.00 0.18 N ATOM 816 CA GLU A 54 8.044 5.894 -6.830 1.00 0.20 C ATOM 817 C GLU A 54 6.836 4.970 -6.846 1.00 0.20 C ATOM 818 O GLU A 54 6.985 3.759 -7.010 1.00 0.21 O ATOM 819 CB GLU A 54 8.592 6.063 -8.250 1.00 0.24 C ATOM 820 CG GLU A 54 9.565 7.219 -8.401 1.00 1.02 C ATOM 821 CD GLU A 54 10.457 7.075 -9.619 1.00 1.76 C ATOM 822 OE1 GLU A 54 11.389 6.243 -9.577 1.00 2.09 O ATOM 823 OE2 GLU A 54 10.224 7.792 -10.614 1.00 2.40 O ATOM 0 H GLU A 54 9.310 4.368 -6.167 1.00 0.18 H new ATOM 0 HA GLU A 54 7.750 6.875 -6.456 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.090 5.141 -8.549 1.00 0.24 H new ATOM 0 HB3 GLU A 54 7.758 6.211 -8.936 1.00 0.24 H new ATOM 0 HG2 GLU A 54 9.006 8.152 -8.473 1.00 1.02 H new ATOM 0 HG3 GLU A 54 10.185 7.286 -7.507 1.00 1.02 H new ATOM 830 N TYR A 55 5.640 5.526 -6.681 1.00 0.19 N ATOM 831 CA TYR A 55 4.442 4.700 -6.671 1.00 0.20 C ATOM 832 C TYR A 55 3.248 5.416 -7.271 1.00 0.19 C ATOM 833 O TYR A 55 3.223 6.642 -7.390 1.00 0.21 O ATOM 834 CB TYR A 55 4.101 4.250 -5.244 1.00 0.21 C ATOM 835 CG TYR A 55 3.405 5.304 -4.403 1.00 0.19 C ATOM 836 CD1 TYR A 55 4.086 6.433 -3.966 1.00 0.22 C ATOM 837 CD2 TYR A 55 2.067 5.163 -4.044 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.456 7.392 -3.195 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.429 6.120 -3.273 1.00 0.21 C ATOM 840 CZ TYR A 55 2.128 7.232 -2.853 1.00 0.22 C ATOM 841 OH TYR A 55 1.500 8.185 -2.084 1.00 0.26 O ATOM 0 H TYR A 55 5.477 6.525 -6.555 1.00 0.19 H new ATOM 0 HA TYR A 55 4.660 3.828 -7.287 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.465 3.367 -5.297 1.00 0.21 H new ATOM 0 HB3 TYR A 55 5.021 3.951 -4.741 1.00 0.21 H new ATOM 0 HD1 TYR A 55 5.124 6.564 -4.233 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.518 4.293 -4.372 1.00 0.20 H new ATOM 0 HE1 TYR A 55 4.001 8.263 -2.861 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.391 5.996 -3.002 1.00 0.21 H new ATOM 0 HH TYR A 55 0.568 7.922 -1.934 1.00 0.26 H new ATOM 851 N THR A 56 2.263 4.622 -7.648 1.00 0.18 N ATOM 852 CA THR A 56 1.028 5.131 -8.213 1.00 0.17 C ATOM 853 C THR A 56 -0.139 4.557 -7.428 1.00 0.14 C ATOM 854 O THR A 56 -0.398 3.354 -7.479 1.00 0.15 O ATOM 855 CB THR A 56 0.882 4.751 -9.700 1.00 0.21 C ATOM 856 OG1 THR A 56 2.022 5.210 -10.437 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.384 5.349 -10.294 1.00 0.21 C ATOM 0 H THR A 56 2.297 3.605 -7.571 1.00 0.18 H new ATOM 0 HA THR A 56 1.041 6.219 -8.148 1.00 0.17 H new ATOM 0 HB THR A 56 0.817 3.665 -9.767 1.00 0.21 H new ATOM 0 HG1 THR A 56 1.923 4.963 -11.380 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.463 5.066 -11.344 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.252 4.975 -9.751 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.346 6.435 -10.213 1.00 0.21 H new ATOM 865 N GLY A 57 -0.842 5.413 -6.702 1.00 0.12 N ATOM 866 CA GLY A 57 -1.951 4.944 -5.903 1.00 0.11 C ATOM 867 C GLY A 57 -3.287 5.416 -6.416 1.00 0.10 C ATOM 868 O GLY A 57 -3.405 6.518 -6.950 1.00 0.10 O ATOM 0 H GLY A 57 -0.665 6.416 -6.653 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.941 3.854 -5.881 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.821 5.285 -4.876 1.00 0.11 H new ATOM 872 N ARG A 58 -4.293 4.575 -6.253 1.00 0.12 N ATOM 873 CA ARG A 58 -5.639 4.908 -6.683 1.00 0.13 C ATOM 874 C ARG A 58 -6.659 4.255 -5.765 1.00 0.15 C ATOM 875 O ARG A 58 -6.421 3.174 -5.225 1.00 0.19 O ATOM 876 CB ARG A 58 -5.862 4.467 -8.133 1.00 0.18 C ATOM 877 CG ARG A 58 -5.707 2.971 -8.355 1.00 0.90 C ATOM 878 CD ARG A 58 -7.040 2.249 -8.248 1.00 0.40 C ATOM 879 NE ARG A 58 -6.930 0.841 -8.620 1.00 1.00 N ATOM 880 CZ ARG A 58 -7.959 0.100 -9.024 1.00 0.99 C ATOM 881 NH1 ARG A 58 -9.172 0.630 -9.106 1.00 0.89 N ATOM 882 NH2 ARG A 58 -7.774 -1.172 -9.348 1.00 1.93 N ATOM 0 H ARG A 58 -4.202 3.654 -5.825 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.765 5.989 -6.630 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.862 4.768 -8.444 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.156 4.994 -8.775 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -5.273 2.792 -9.339 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -5.012 2.564 -7.621 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -7.413 2.326 -7.227 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.770 2.738 -8.892 1.00 0.40 H new ATOM 0 HE ARG A 58 -6.012 0.400 -8.567 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -9.319 1.609 -8.859 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -9.958 0.059 -9.416 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -6.843 -1.583 -9.288 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -8.563 -1.739 -9.658 1.00 1.93 H new ATOM 896 N LEU A 59 -7.792 4.915 -5.591 1.00 0.16 N ATOM 897 CA LEU A 59 -8.853 4.388 -4.746 1.00 0.19 C ATOM 898 C LEU A 59 -9.610 3.296 -5.483 1.00 0.20 C ATOM 899 O LEU A 59 -9.539 3.209 -6.708 1.00 0.22 O ATOM 900 CB LEU A 59 -9.818 5.507 -4.345 1.00 0.22 C ATOM 901 CG LEU A 59 -9.186 6.693 -3.614 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.091 7.913 -3.696 1.00 1.21 C ATOM 903 CD2 LEU A 59 -8.906 6.336 -2.163 1.00 1.07 C ATOM 0 H LEU A 59 -8.001 5.815 -6.022 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.405 3.968 -3.845 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.310 5.878 -5.244 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.594 5.082 -3.708 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.240 6.932 -4.099 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.626 8.747 -3.171 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -10.245 8.183 -4.741 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.052 7.685 -3.235 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -8.457 7.191 -1.658 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -9.840 6.071 -1.667 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.221 5.489 -2.122 1.00 1.07 H new ATOM 915 N ILE A 60 -10.330 2.460 -4.741 1.00 0.25 N ATOM 916 CA ILE A 60 -11.110 1.395 -5.359 1.00 0.28 C ATOM 917 C ILE A 60 -12.118 2.007 -6.324 1.00 0.29 C ATOM 918 O ILE A 60 -12.741 1.313 -7.129 1.00 0.32 O ATOM 919 CB ILE A 60 -11.846 0.538 -4.305 1.00 0.34 C ATOM 920 CG1 ILE A 60 -12.586 -0.628 -4.969 1.00 0.64 C ATOM 921 CG2 ILE A 60 -12.810 1.395 -3.498 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.680 -1.559 -5.747 1.00 0.52 C ATOM 0 H ILE A 60 -10.389 2.498 -3.723 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.425 0.739 -5.896 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.102 0.123 -3.625 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -13.108 -1.200 -4.202 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -13.346 -0.229 -5.641 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.319 0.774 -2.761 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -12.256 2.184 -2.988 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.546 1.842 -4.166 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.274 -2.359 -6.189 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -11.178 -1.001 -6.537 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -10.936 -1.987 -5.076 1.00 0.52 H new ATOM 934 N ASP A 61 -12.254 3.327 -6.235 1.00 0.30 N ATOM 935 CA ASP A 61 -13.171 4.066 -7.093 1.00 0.36 C ATOM 936 C ASP A 61 -12.724 3.996 -8.550 1.00 0.36 C ATOM 937 O ASP A 61 -13.465 4.382 -9.454 1.00 0.42 O ATOM 938 CB ASP A 61 -13.257 5.525 -6.641 1.00 0.40 C ATOM 939 CG ASP A 61 -13.791 5.662 -5.228 1.00 1.07 C ATOM 940 OD1 ASP A 61 -12.981 5.603 -4.280 1.00 2.01 O ATOM 941 OD2 ASP A 61 -15.019 5.828 -5.071 1.00 0.95 O ATOM 0 H ASP A 61 -11.738 3.908 -5.574 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.158 3.610 -7.012 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -12.268 5.979 -6.698 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -13.901 6.077 -7.325 1.00 0.40 H new ATOM 946 N GLY A 62 -11.504 3.507 -8.773 1.00 0.31 N ATOM 947 CA GLY A 62 -10.990 3.388 -10.125 1.00 0.37 C ATOM 948 C GLY A 62 -10.235 4.618 -10.597 1.00 0.38 C ATOM 949 O GLY A 62 -9.734 4.643 -11.720 1.00 0.45 O ATOM 0 H GLY A 62 -10.866 3.193 -8.042 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.329 2.523 -10.179 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.820 3.198 -10.805 1.00 0.37 H new ATOM 953 N THR A 63 -10.148 5.643 -9.749 1.00 0.33 N ATOM 954 CA THR A 63 -9.464 6.872 -10.121 1.00 0.37 C ATOM 955 C THR A 63 -8.275 7.148 -9.212 1.00 0.31 C ATOM 956 O THR A 63 -8.350 6.961 -7.998 1.00 0.30 O ATOM 957 CB THR A 63 -10.419 8.081 -10.072 1.00 0.44 C ATOM 958 OG1 THR A 63 -9.709 9.280 -10.403 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.047 8.222 -8.693 1.00 1.28 C ATOM 0 H THR A 63 -10.541 5.643 -8.808 1.00 0.33 H new ATOM 0 HA THR A 63 -9.108 6.732 -11.142 1.00 0.37 H new ATOM 0 HB THR A 63 -11.214 7.916 -10.800 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.323 10.043 -10.371 1.00 1.40 H new ATOM 0 HG21 THR A 63 -11.717 9.082 -8.684 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.612 7.320 -8.456 1.00 1.28 H new ATOM 0 HG23 THR A 63 -10.263 8.365 -7.949 1.00 1.28 H new ATOM 967 N VAL A 64 -7.179 7.591 -9.813 1.00 0.28 N ATOM 968 CA VAL A 64 -5.978 7.907 -9.069 1.00 0.22 C ATOM 969 C VAL A 64 -6.237 9.069 -8.127 1.00 0.20 C ATOM 970 O VAL A 64 -6.819 10.083 -8.517 1.00 0.23 O ATOM 971 CB VAL A 64 -4.810 8.262 -10.013 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.205 9.390 -10.956 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.565 8.633 -9.219 1.00 0.18 C ATOM 0 H VAL A 64 -7.102 7.739 -10.819 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.701 7.023 -8.494 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.578 7.382 -10.612 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.368 9.625 -11.613 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.061 9.080 -11.556 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.470 10.274 -10.375 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.755 8.879 -9.906 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.780 9.495 -8.587 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.267 7.791 -8.594 1.00 0.18 H new ATOM 983 N PHE A 65 -5.806 8.919 -6.887 1.00 0.18 N ATOM 984 CA PHE A 65 -5.996 9.963 -5.893 1.00 0.20 C ATOM 985 C PHE A 65 -4.737 10.818 -5.759 1.00 0.20 C ATOM 986 O PHE A 65 -4.800 11.966 -5.314 1.00 0.24 O ATOM 987 CB PHE A 65 -6.414 9.356 -4.536 1.00 0.21 C ATOM 988 CG PHE A 65 -5.435 8.392 -3.900 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.229 8.058 -4.498 1.00 0.15 C ATOM 990 CD2 PHE A 65 -5.730 7.834 -2.672 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.347 7.197 -3.886 1.00 0.15 C ATOM 992 CE2 PHE A 65 -4.853 6.965 -2.060 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.657 6.647 -2.668 1.00 0.17 C ATOM 0 H PHE A 65 -5.324 8.088 -6.544 1.00 0.18 H new ATOM 0 HA PHE A 65 -6.804 10.614 -6.227 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.592 10.173 -3.837 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.364 8.839 -4.671 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -3.978 8.481 -5.460 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.661 8.082 -2.184 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.410 6.954 -4.365 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.103 6.532 -1.103 1.00 0.18 H new ATOM 0 HZ PHE A 65 -2.968 5.968 -2.188 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.596 10.253 -6.152 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.327 10.958 -6.092 1.00 0.19 C ATOM 1005 C ASP A 66 -1.213 10.113 -6.701 1.00 0.17 C ATOM 1006 O ASP A 66 -1.053 8.941 -6.359 1.00 0.18 O ATOM 1007 CB ASP A 66 -1.976 11.326 -4.649 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.675 12.097 -4.550 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -0.711 13.341 -4.660 1.00 0.30 O ATOM 1010 OD2 ASP A 66 0.381 11.457 -4.363 1.00 0.30 O ATOM 0 H ASP A 66 -3.530 9.303 -6.517 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.426 11.877 -6.670 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -2.782 11.923 -4.223 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -1.903 10.417 -4.052 1.00 0.25 H new ATOM 1015 N SER A 67 -0.446 10.713 -7.600 1.00 0.17 N ATOM 1016 CA SER A 67 0.659 10.018 -8.250 1.00 0.19 C ATOM 1017 C SER A 67 1.955 10.808 -8.102 1.00 0.18 C ATOM 1018 O SER A 67 2.027 11.976 -8.483 1.00 0.22 O ATOM 1019 CB SER A 67 0.344 9.793 -9.729 1.00 0.25 C ATOM 1020 OG SER A 67 0.084 11.021 -10.388 1.00 1.30 O ATOM 0 H SER A 67 -0.568 11.681 -7.897 1.00 0.17 H new ATOM 0 HA SER A 67 0.789 9.050 -7.765 1.00 0.19 H new ATOM 0 HB2 SER A 67 1.182 9.289 -10.210 1.00 0.25 H new ATOM 0 HB3 SER A 67 -0.520 9.136 -9.824 1.00 0.25 H new ATOM 0 HG SER A 67 0.553 11.746 -9.925 1.00 1.30 H new ATOM 1026 N THR A 68 2.980 10.165 -7.543 1.00 0.19 N ATOM 1027 CA THR A 68 4.271 10.815 -7.346 1.00 0.21 C ATOM 1028 C THR A 68 5.180 10.601 -8.551 1.00 0.28 C ATOM 1029 O THR A 68 5.876 11.518 -8.987 1.00 0.34 O ATOM 1030 CB THR A 68 4.981 10.289 -6.082 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.287 8.898 -6.234 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.109 10.487 -4.852 1.00 0.28 C ATOM 0 H THR A 68 2.940 9.198 -7.220 1.00 0.19 H new ATOM 0 HA THR A 68 4.074 11.880 -7.224 1.00 0.21 H new ATOM 0 HB THR A 68 5.905 10.852 -5.950 1.00 0.20 H new ATOM 0 HG1 THR A 68 4.852 8.387 -5.520 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.630 10.109 -3.972 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.900 11.549 -4.721 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.172 9.946 -4.980 1.00 0.28 H new ATOM 1040 N GLU A 69 5.162 9.386 -9.090 1.00 0.42 N ATOM 1041 CA GLU A 69 5.991 9.050 -10.241 1.00 0.56 C ATOM 1042 C GLU A 69 5.483 9.738 -11.505 1.00 0.66 C ATOM 1043 O GLU A 69 6.271 10.142 -12.362 1.00 0.75 O ATOM 1044 CB GLU A 69 6.020 7.536 -10.448 1.00 0.75 C ATOM 1045 CG GLU A 69 7.175 7.067 -11.314 1.00 1.17 C ATOM 1046 CD GLU A 69 7.075 5.598 -11.674 1.00 1.66 C ATOM 1047 OE1 GLU A 69 6.361 5.272 -12.645 1.00 2.05 O ATOM 1048 OE2 GLU A 69 7.713 4.774 -10.985 1.00 2.11 O ATOM 0 H GLU A 69 4.583 8.619 -8.748 1.00 0.42 H new ATOM 0 HA GLU A 69 7.002 9.404 -10.042 1.00 0.56 H new ATOM 0 HB2 GLU A 69 6.082 7.045 -9.477 1.00 0.75 H new ATOM 0 HB3 GLU A 69 5.082 7.221 -10.905 1.00 0.75 H new ATOM 0 HG2 GLU A 69 7.203 7.660 -12.228 1.00 1.17 H new ATOM 0 HG3 GLU A 69 8.114 7.246 -10.789 1.00 1.17 H new ATOM 1055 N LYS A 70 4.163 9.867 -11.618 1.00 0.69 N ATOM 1056 CA LYS A 70 3.554 10.504 -12.781 1.00 0.84 C ATOM 1057 C LYS A 70 3.974 11.967 -12.881 1.00 0.85 C ATOM 1058 O LYS A 70 4.435 12.418 -13.928 1.00 1.01 O ATOM 1059 CB LYS A 70 2.026 10.395 -12.704 1.00 0.91 C ATOM 1060 CG LYS A 70 1.319 10.588 -14.039 1.00 1.63 C ATOM 1061 CD LYS A 70 1.236 12.055 -14.433 1.00 1.87 C ATOM 1062 CE LYS A 70 0.499 12.237 -15.752 1.00 2.76 C ATOM 1063 NZ LYS A 70 1.183 11.534 -16.873 1.00 3.41 N ATOM 0 H LYS A 70 3.496 9.539 -10.919 1.00 0.69 H new ATOM 0 HA LYS A 70 3.901 9.987 -13.676 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.762 9.416 -12.304 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.655 11.138 -11.998 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.849 10.034 -14.814 1.00 1.63 H new ATOM 0 HG3 LYS A 70 0.314 10.171 -13.980 1.00 1.63 H new ATOM 0 HD2 LYS A 70 0.726 12.615 -13.649 1.00 1.87 H new ATOM 0 HD3 LYS A 70 2.241 12.468 -14.517 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -0.519 11.859 -15.654 1.00 2.76 H new ATOM 0 HE3 LYS A 70 0.424 13.300 -15.982 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 0.774 11.844 -17.778 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 2.198 11.760 -16.856 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 1.055 10.507 -16.769 1.00 3.41 H new ATOM 1077 N THR A 71 3.811 12.703 -11.785 1.00 0.73 N ATOM 1078 CA THR A 71 4.175 14.116 -11.753 1.00 0.82 C ATOM 1079 C THR A 71 5.651 14.310 -12.081 1.00 0.82 C ATOM 1080 O THR A 71 6.076 15.405 -12.452 1.00 0.97 O ATOM 1081 CB THR A 71 3.879 14.742 -10.378 1.00 0.76 C ATOM 1082 OG1 THR A 71 4.596 14.042 -9.354 1.00 1.25 O ATOM 1083 CG2 THR A 71 2.389 14.704 -10.076 1.00 1.47 C ATOM 0 H THR A 71 3.430 12.345 -10.909 1.00 0.73 H new ATOM 0 HA THR A 71 3.569 14.616 -12.508 1.00 0.82 H new ATOM 0 HB THR A 71 4.204 15.782 -10.401 1.00 0.76 H new ATOM 0 HG1 THR A 71 4.957 13.208 -9.720 1.00 1.25 H new ATOM 0 HG21 THR A 71 2.204 15.152 -9.100 1.00 1.47 H new ATOM 0 HG22 THR A 71 1.849 15.263 -10.840 1.00 1.47 H new ATOM 0 HG23 THR A 71 2.045 13.670 -10.072 1.00 1.47 H new ATOM 1091 N GLY A 72 6.428 13.241 -11.939 1.00 0.69 N ATOM 1092 CA GLY A 72 7.847 13.311 -12.228 1.00 0.70 C ATOM 1093 C GLY A 72 8.675 13.602 -10.993 1.00 0.60 C ATOM 1094 O GLY A 72 9.871 13.880 -11.093 1.00 0.60 O ATOM 0 H GLY A 72 6.099 12.327 -11.629 1.00 0.69 H new ATOM 0 HA2 GLY A 72 8.173 12.368 -12.666 1.00 0.70 H new ATOM 0 HA3 GLY A 72 8.025 14.087 -12.973 1.00 0.70 H new ATOM 1098 N LYS A 73 8.043 13.538 -9.826 1.00 0.54 N ATOM 1099 CA LYS A 73 8.734 13.799 -8.571 1.00 0.49 C ATOM 1100 C LYS A 73 8.768 12.542 -7.702 1.00 0.40 C ATOM 1101 O LYS A 73 7.722 12.049 -7.279 1.00 0.43 O ATOM 1102 CB LYS A 73 8.041 14.934 -7.818 1.00 0.60 C ATOM 1103 CG LYS A 73 7.932 16.221 -8.621 1.00 1.47 C ATOM 1104 CD LYS A 73 7.134 17.286 -7.882 1.00 1.89 C ATOM 1105 CE LYS A 73 7.931 17.902 -6.741 1.00 2.37 C ATOM 1106 NZ LYS A 73 8.022 16.995 -5.563 1.00 3.05 N ATOM 0 H LYS A 73 7.055 13.308 -9.724 1.00 0.54 H new ATOM 0 HA LYS A 73 9.759 14.092 -8.797 1.00 0.49 H new ATOM 0 HB2 LYS A 73 7.041 14.610 -7.530 1.00 0.60 H new ATOM 0 HB3 LYS A 73 8.589 15.135 -6.897 1.00 0.60 H new ATOM 0 HG2 LYS A 73 8.931 16.600 -8.836 1.00 1.47 H new ATOM 0 HG3 LYS A 73 7.457 16.012 -9.580 1.00 1.47 H new ATOM 0 HD2 LYS A 73 6.837 18.068 -8.581 1.00 1.89 H new ATOM 0 HD3 LYS A 73 6.218 16.846 -7.489 1.00 1.89 H new ATOM 0 HE2 LYS A 73 8.935 18.143 -7.090 1.00 2.37 H new ATOM 0 HE3 LYS A 73 7.465 18.840 -6.440 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 7.853 17.538 -4.693 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 7.307 16.244 -5.647 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 8.970 16.568 -5.526 1.00 3.05 H new ATOM 1120 N PRO A 74 9.971 12.008 -7.415 1.00 0.33 N ATOM 1121 CA PRO A 74 10.117 10.804 -6.588 1.00 0.29 C ATOM 1122 C PRO A 74 9.519 10.987 -5.200 1.00 0.24 C ATOM 1123 O PRO A 74 9.576 12.076 -4.628 1.00 0.27 O ATOM 1124 CB PRO A 74 11.633 10.612 -6.487 1.00 0.33 C ATOM 1125 CG PRO A 74 12.193 11.351 -7.652 1.00 0.51 C ATOM 1126 CD PRO A 74 11.276 12.518 -7.873 1.00 0.38 C ATOM 0 HA PRO A 74 9.596 9.951 -7.022 1.00 0.29 H new ATOM 0 HB2 PRO A 74 12.019 11.006 -5.547 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.901 9.556 -6.524 1.00 0.33 H new ATOM 0 HG2 PRO A 74 13.211 11.686 -7.451 1.00 0.51 H new ATOM 0 HG3 PRO A 74 12.236 10.714 -8.536 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.590 13.392 -7.302 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.247 12.816 -8.921 1.00 0.38 H new ATOM 1134 N ALA A 75 8.947 9.916 -4.662 1.00 0.21 N ATOM 1135 CA ALA A 75 8.343 9.962 -3.339 1.00 0.19 C ATOM 1136 C ALA A 75 9.327 9.498 -2.272 1.00 0.18 C ATOM 1137 O ALA A 75 9.864 8.396 -2.352 1.00 0.19 O ATOM 1138 CB ALA A 75 7.085 9.115 -3.300 1.00 0.23 C ATOM 0 H ALA A 75 8.890 9.007 -5.122 1.00 0.21 H new ATOM 0 HA ALA A 75 8.075 10.997 -3.127 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.646 9.161 -2.303 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.369 9.493 -4.029 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.335 8.081 -3.539 1.00 0.23 H new ATOM 1144 N THR A 76 9.558 10.344 -1.277 1.00 0.18 N ATOM 1145 CA THR A 76 10.477 10.015 -0.193 1.00 0.18 C ATOM 1146 C THR A 76 9.796 10.176 1.160 1.00 0.21 C ATOM 1147 O THR A 76 9.334 11.263 1.510 1.00 0.26 O ATOM 1148 CB THR A 76 11.741 10.895 -0.235 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.538 10.665 0.935 1.00 1.15 O ATOM 1150 CG2 THR A 76 11.378 12.370 -0.324 1.00 1.26 C ATOM 0 H THR A 76 9.123 11.263 -1.197 1.00 0.18 H new ATOM 0 HA THR A 76 10.773 8.975 -0.329 1.00 0.18 H new ATOM 0 HB THR A 76 12.311 10.625 -1.124 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.340 11.227 0.900 1.00 1.15 H new ATOM 0 HG21 THR A 76 12.289 12.968 -0.352 1.00 1.26 H new ATOM 0 HG22 THR A 76 10.799 12.548 -1.230 1.00 1.26 H new ATOM 0 HG23 THR A 76 10.786 12.652 0.546 1.00 1.26 H new ATOM 1158 N PHE A 77 9.731 9.089 1.918 1.00 0.20 N ATOM 1159 CA PHE A 77 9.090 9.115 3.230 1.00 0.26 C ATOM 1160 C PHE A 77 9.579 7.979 4.124 1.00 0.26 C ATOM 1161 O PHE A 77 10.261 7.058 3.672 1.00 0.29 O ATOM 1162 CB PHE A 77 7.574 9.008 3.063 1.00 0.28 C ATOM 1163 CG PHE A 77 7.148 7.749 2.361 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.169 7.674 0.977 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.737 6.639 3.083 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.790 6.516 0.326 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.355 5.478 2.437 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.383 5.417 1.057 1.00 0.34 C ATOM 0 H PHE A 77 10.112 8.181 1.650 1.00 0.20 H new ATOM 0 HA PHE A 77 9.353 10.058 3.708 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.102 9.047 4.045 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.214 9.870 2.501 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.485 8.531 0.401 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.715 6.682 4.162 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.812 6.470 -0.753 1.00 0.29 H new ATOM 0 HE2 PHE A 77 6.035 4.620 3.010 1.00 0.36 H new ATOM 0 HZ PHE A 77 6.087 4.510 0.550 1.00 0.34 H new ATOM 1178 N GLN A 78 9.217 8.064 5.401 1.00 0.30 N ATOM 1179 CA GLN A 78 9.576 7.050 6.387 1.00 0.36 C ATOM 1180 C GLN A 78 8.509 5.956 6.393 1.00 0.31 C ATOM 1181 O GLN A 78 7.324 6.232 6.206 1.00 0.35 O ATOM 1182 CB GLN A 78 9.712 7.710 7.767 1.00 0.52 C ATOM 1183 CG GLN A 78 9.432 6.800 8.955 1.00 1.03 C ATOM 1184 CD GLN A 78 10.618 5.929 9.325 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.624 4.695 8.841 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 11.511 6.358 10.056 1.00 1.00 N flip ATOM 0 H GLN A 78 8.668 8.835 5.780 1.00 0.30 H new ATOM 0 HA GLN A 78 10.533 6.593 6.133 1.00 0.36 H new ATOM 0 HB2 GLN A 78 10.723 8.106 7.864 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.031 8.560 7.813 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.153 7.409 9.815 1.00 1.03 H new ATOM 0 HG3 GLN A 78 8.578 6.163 8.725 1.00 1.03 H new ATOM 0 HE21 GLN A 78 11.467 7.315 10.407 1.00 1.00 H new ATOM 0 HE22 GLN A 78 12.294 5.757 10.311 1.00 1.00 H new ATOM 1195 N VAL A 79 8.934 4.721 6.619 1.00 0.30 N ATOM 1196 CA VAL A 79 8.022 3.578 6.604 1.00 0.31 C ATOM 1197 C VAL A 79 7.222 3.430 7.902 1.00 0.32 C ATOM 1198 O VAL A 79 6.121 2.882 7.894 1.00 0.42 O ATOM 1199 CB VAL A 79 8.782 2.268 6.326 1.00 0.36 C ATOM 1200 CG1 VAL A 79 9.518 2.355 4.997 1.00 1.07 C ATOM 1201 CG2 VAL A 79 9.749 1.953 7.455 1.00 0.90 C ATOM 0 H VAL A 79 9.906 4.481 6.816 1.00 0.30 H new ATOM 0 HA VAL A 79 7.314 3.775 5.799 1.00 0.31 H new ATOM 0 HB VAL A 79 8.056 1.457 6.268 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.051 1.422 4.814 1.00 1.07 H new ATOM 0 HG12 VAL A 79 8.801 2.527 4.194 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.231 3.179 5.029 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.274 1.023 7.236 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.471 2.763 7.552 1.00 0.90 H new ATOM 0 HG23 VAL A 79 9.196 1.846 8.388 1.00 0.90 H new ATOM 1211 N SER A 80 7.774 3.903 9.012 1.00 0.30 N ATOM 1212 CA SER A 80 7.093 3.807 10.302 1.00 0.36 C ATOM 1213 C SER A 80 6.137 4.978 10.526 1.00 0.34 C ATOM 1214 O SER A 80 5.452 5.040 11.547 1.00 0.42 O ATOM 1215 CB SER A 80 8.112 3.752 11.440 1.00 0.46 C ATOM 1216 OG SER A 80 8.923 4.914 11.457 1.00 1.14 O ATOM 0 H SER A 80 8.687 4.356 9.048 1.00 0.30 H new ATOM 0 HA SER A 80 6.508 2.888 10.292 1.00 0.36 H new ATOM 0 HB2 SER A 80 7.592 3.654 12.393 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.740 2.868 11.327 1.00 0.46 H new ATOM 0 HG SER A 80 9.565 4.854 12.195 1.00 1.14 H new ATOM 1222 N GLN A 81 6.094 5.905 9.574 1.00 0.31 N ATOM 1223 CA GLN A 81 5.235 7.082 9.692 1.00 0.36 C ATOM 1224 C GLN A 81 3.873 6.885 9.019 1.00 0.32 C ATOM 1225 O GLN A 81 3.082 7.825 8.937 1.00 0.37 O ATOM 1226 CB GLN A 81 5.933 8.305 9.094 1.00 0.46 C ATOM 1227 CG GLN A 81 6.185 9.414 10.105 1.00 1.09 C ATOM 1228 CD GLN A 81 7.118 8.986 11.222 1.00 1.48 C ATOM 1229 OE1 GLN A 81 6.679 8.466 12.248 1.00 2.08 O ATOM 1230 NE2 GLN A 81 8.413 9.209 11.029 1.00 1.80 N ATOM 0 H GLN A 81 6.641 5.866 8.714 1.00 0.31 H new ATOM 0 HA GLN A 81 5.054 7.239 10.755 1.00 0.36 H new ATOM 0 HB2 GLN A 81 6.884 7.995 8.661 1.00 0.46 H new ATOM 0 HB3 GLN A 81 5.325 8.698 8.279 1.00 0.46 H new ATOM 0 HG2 GLN A 81 6.610 10.277 9.593 1.00 1.09 H new ATOM 0 HG3 GLN A 81 5.235 9.733 10.533 1.00 1.09 H new ATOM 0 HE21 GLN A 81 8.732 9.643 10.163 1.00 1.80 H new ATOM 0 HE22 GLN A 81 9.088 8.947 11.747 1.00 1.80 H new ATOM 1239 N VAL A 82 3.597 5.674 8.536 1.00 0.26 N ATOM 1240 CA VAL A 82 2.321 5.399 7.871 1.00 0.26 C ATOM 1241 C VAL A 82 1.424 4.475 8.698 1.00 0.24 C ATOM 1242 O VAL A 82 1.752 4.122 9.831 1.00 0.24 O ATOM 1243 CB VAL A 82 2.526 4.790 6.468 1.00 0.30 C ATOM 1244 CG1 VAL A 82 2.531 5.884 5.412 1.00 0.45 C ATOM 1245 CG2 VAL A 82 3.816 3.986 6.410 1.00 0.25 C ATOM 0 H VAL A 82 4.230 4.876 8.591 1.00 0.26 H new ATOM 0 HA VAL A 82 1.824 6.364 7.770 1.00 0.26 H new ATOM 0 HB VAL A 82 1.696 4.114 6.264 1.00 0.30 H new ATOM 0 HG11 VAL A 82 2.677 5.439 4.428 1.00 0.45 H new ATOM 0 HG12 VAL A 82 1.579 6.415 5.433 1.00 0.45 H new ATOM 0 HG13 VAL A 82 3.341 6.584 5.617 1.00 0.45 H new ATOM 0 HG21 VAL A 82 3.939 3.567 5.411 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.661 4.637 6.637 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.774 3.178 7.140 1.00 0.25 H new ATOM 1255 N ILE A 83 0.284 4.092 8.116 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.685 3.224 8.784 1.00 0.26 C ATOM 1257 C ILE A 83 -0.062 1.906 9.239 1.00 0.26 C ATOM 1258 O ILE A 83 0.971 1.490 8.715 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.886 2.920 7.865 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.408 2.325 6.539 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.700 4.181 7.624 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.527 1.757 5.692 1.00 0.75 C ATOM 0 H ILE A 83 0.010 4.374 7.175 1.00 0.25 H new ATOM 0 HA ILE A 83 -1.026 3.768 9.665 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.524 2.187 8.358 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.889 3.096 5.970 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.683 1.537 6.744 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.544 3.951 6.974 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -3.069 4.563 8.576 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -2.072 4.935 7.149 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -2.114 1.353 4.768 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -3.032 0.963 6.242 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -3.241 2.546 5.456 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.685 1.232 10.230 1.00 0.32 N ATOM 1275 CA PRO A 84 -0.189 -0.041 10.760 1.00 0.34 C ATOM 1276 C PRO A 84 0.147 -1.042 9.659 1.00 0.31 C ATOM 1277 O PRO A 84 1.236 -1.624 9.641 1.00 0.32 O ATOM 1278 CB PRO A 84 -1.349 -0.564 11.625 1.00 0.43 C ATOM 1279 CG PRO A 84 -2.503 0.345 11.354 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.912 1.652 10.920 1.00 0.41 C ATOM 0 HA PRO A 84 0.739 0.095 11.315 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.594 -1.594 11.368 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -1.084 -0.554 12.682 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -3.149 -0.067 10.579 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -3.116 0.472 12.246 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.582 2.201 10.258 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.698 2.302 11.768 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.791 -1.238 8.742 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.579 -2.172 7.657 1.00 0.31 C ATOM 1290 C GLY A 85 0.645 -1.851 6.814 1.00 0.27 C ATOM 1291 O GLY A 85 1.480 -2.722 6.568 1.00 0.28 O ATOM 0 H GLY A 85 -1.695 -0.766 8.731 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.475 -3.176 8.067 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.461 -2.179 7.016 1.00 0.31 H new ATOM 1295 N TRP A 86 0.768 -0.594 6.392 1.00 0.25 N ATOM 1296 CA TRP A 86 1.885 -0.173 5.547 1.00 0.25 C ATOM 1297 C TRP A 86 3.237 -0.334 6.241 1.00 0.24 C ATOM 1298 O TRP A 86 4.142 -0.964 5.696 1.00 0.30 O ATOM 1299 CB TRP A 86 1.700 1.279 5.097 1.00 0.25 C ATOM 1300 CG TRP A 86 1.380 1.414 3.637 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.500 0.659 2.915 1.00 0.26 C ATOM 1302 CD2 TRP A 86 1.935 2.365 2.720 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.479 1.078 1.606 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.351 2.124 1.462 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.872 3.396 2.839 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.671 2.876 0.334 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 3.188 4.141 1.719 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.590 3.878 0.481 1.00 0.70 C ATOM 0 H TRP A 86 0.109 0.150 6.621 1.00 0.25 H new ATOM 0 HA TRP A 86 1.885 -0.828 4.676 1.00 0.25 H new ATOM 0 HB2 TRP A 86 0.899 1.733 5.680 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.610 1.838 5.315 1.00 0.25 H new ATOM 0 HD1 TRP A 86 -0.093 -0.150 3.315 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.093 0.676 0.863 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.340 3.606 3.789 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.210 2.675 -0.622 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.909 4.941 1.800 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.860 4.478 -0.375 1.00 0.70 H new ATOM 1319 N THR A 87 3.376 0.234 7.435 1.00 0.23 N ATOM 1320 CA THR A 87 4.634 0.153 8.174 1.00 0.26 C ATOM 1321 C THR A 87 5.113 -1.290 8.319 1.00 0.25 C ATOM 1322 O THR A 87 6.315 -1.552 8.328 1.00 0.26 O ATOM 1323 CB THR A 87 4.522 0.795 9.571 1.00 0.33 C ATOM 1324 OG1 THR A 87 5.782 0.713 10.248 1.00 1.40 O ATOM 1325 CG2 THR A 87 3.452 0.113 10.408 1.00 1.25 C ATOM 0 H THR A 87 2.638 0.753 7.911 1.00 0.23 H new ATOM 0 HA THR A 87 5.365 0.711 7.589 1.00 0.26 H new ATOM 0 HB THR A 87 4.241 1.840 9.439 1.00 0.33 H new ATOM 0 HG1 THR A 87 6.507 0.890 9.613 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.398 0.589 11.387 1.00 1.25 H new ATOM 0 HG22 THR A 87 2.488 0.201 9.908 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.702 -0.941 10.530 1.00 1.25 H new ATOM 1333 N GLU A 88 4.170 -2.220 8.433 1.00 0.25 N ATOM 1334 CA GLU A 88 4.508 -3.633 8.582 1.00 0.28 C ATOM 1335 C GLU A 88 5.117 -4.208 7.301 1.00 0.28 C ATOM 1336 O GLU A 88 6.174 -4.835 7.337 1.00 0.34 O ATOM 1337 CB GLU A 88 3.266 -4.436 8.974 1.00 0.33 C ATOM 1338 CG GLU A 88 3.537 -5.919 9.175 1.00 0.69 C ATOM 1339 CD GLU A 88 4.526 -6.183 10.293 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.113 -6.148 11.471 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.713 -6.425 9.991 1.00 1.15 O ATOM 0 H GLU A 88 3.169 -2.023 8.425 1.00 0.25 H new ATOM 0 HA GLU A 88 5.255 -3.711 9.372 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.852 -4.023 9.894 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.507 -4.316 8.201 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.600 -6.430 9.396 1.00 0.69 H new ATOM 0 HG3 GLU A 88 3.921 -6.344 8.247 1.00 0.69 H new ATOM 1348 N ALA A 89 4.445 -3.992 6.173 1.00 0.26 N ATOM 1349 CA ALA A 89 4.916 -4.505 4.887 1.00 0.29 C ATOM 1350 C ALA A 89 6.249 -3.882 4.478 1.00 0.29 C ATOM 1351 O ALA A 89 7.159 -4.582 4.037 1.00 0.33 O ATOM 1352 CB ALA A 89 3.873 -4.262 3.809 1.00 0.29 C ATOM 0 H ALA A 89 3.573 -3.466 6.122 1.00 0.26 H new ATOM 0 HA ALA A 89 5.074 -5.577 5.001 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.237 -4.649 2.857 1.00 0.29 H new ATOM 0 HB2 ALA A 89 2.947 -4.771 4.077 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.686 -3.192 3.718 1.00 0.29 H new ATOM 1358 N LEU A 90 6.354 -2.565 4.621 1.00 0.28 N ATOM 1359 CA LEU A 90 7.571 -1.846 4.257 1.00 0.31 C ATOM 1360 C LEU A 90 8.789 -2.397 4.997 1.00 0.35 C ATOM 1361 O LEU A 90 9.907 -2.358 4.483 1.00 0.39 O ATOM 1362 CB LEU A 90 7.412 -0.353 4.556 1.00 0.33 C ATOM 1363 CG LEU A 90 6.836 0.495 3.414 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.805 0.541 2.242 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.484 -0.043 2.970 1.00 0.32 C ATOM 0 H LEU A 90 5.609 -1.972 4.987 1.00 0.28 H new ATOM 0 HA LEU A 90 7.733 -1.986 3.188 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.767 -0.242 5.428 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.387 0.051 4.828 1.00 0.33 H new ATOM 0 HG LEU A 90 6.693 1.511 3.783 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.380 1.147 1.442 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.748 0.980 2.567 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.982 -0.470 1.876 1.00 0.39 H new ATOM 0 HD21 LEU A 90 5.095 0.574 2.160 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.597 -1.070 2.622 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.789 -0.019 3.810 1.00 0.32 H new ATOM 1377 N GLN A 91 8.566 -2.909 6.204 1.00 0.37 N ATOM 1378 CA GLN A 91 9.649 -3.462 7.014 1.00 0.43 C ATOM 1379 C GLN A 91 10.256 -4.696 6.353 1.00 0.39 C ATOM 1380 O GLN A 91 11.410 -5.044 6.606 1.00 0.43 O ATOM 1381 CB GLN A 91 9.130 -3.826 8.408 1.00 0.52 C ATOM 1382 CG GLN A 91 10.198 -4.404 9.323 1.00 1.07 C ATOM 1383 CD GLN A 91 9.635 -4.906 10.640 1.00 1.32 C ATOM 1384 OE1 GLN A 91 8.399 -5.393 10.611 1.00 1.87 O flip ATOM 1385 NE2 GLN A 91 10.306 -4.863 11.671 1.00 1.80 N flip ATOM 0 H GLN A 91 7.646 -2.953 6.643 1.00 0.37 H new ATOM 0 HA GLN A 91 10.425 -2.702 7.102 1.00 0.43 H new ATOM 0 HB2 GLN A 91 8.708 -2.935 8.873 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.320 -4.548 8.308 1.00 0.52 H new ATOM 0 HG2 GLN A 91 10.702 -5.224 8.812 1.00 1.07 H new ATOM 0 HG3 GLN A 91 10.951 -3.641 9.522 1.00 1.07 H new ATOM 0 HE21 GLN A 91 11.251 -4.481 11.649 1.00 1.80 H new ATOM 0 HE22 GLN A 91 9.917 -5.210 12.548 1.00 1.80 H new ATOM 1394 N LEU A 92 9.474 -5.348 5.503 1.00 0.37 N ATOM 1395 CA LEU A 92 9.922 -6.552 4.812 1.00 0.36 C ATOM 1396 C LEU A 92 10.460 -6.233 3.420 1.00 0.32 C ATOM 1397 O LEU A 92 11.008 -7.106 2.749 1.00 0.39 O ATOM 1398 CB LEU A 92 8.771 -7.555 4.700 1.00 0.38 C ATOM 1399 CG LEU A 92 8.425 -8.310 5.986 1.00 0.59 C ATOM 1400 CD1 LEU A 92 7.918 -7.357 7.057 1.00 1.17 C ATOM 1401 CD2 LEU A 92 7.389 -9.386 5.701 1.00 1.31 C ATOM 0 H LEU A 92 8.522 -5.062 5.274 1.00 0.37 H new ATOM 0 HA LEU A 92 10.732 -6.987 5.398 1.00 0.36 H new ATOM 0 HB2 LEU A 92 7.882 -7.024 4.361 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.021 -8.283 3.928 1.00 0.38 H new ATOM 0 HG LEU A 92 9.333 -8.785 6.358 1.00 0.59 H new ATOM 0 HD11 LEU A 92 7.679 -7.919 7.960 1.00 1.17 H new ATOM 0 HD12 LEU A 92 8.688 -6.619 7.281 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.023 -6.849 6.698 1.00 1.17 H new ATOM 0 HD21 LEU A 92 7.151 -9.916 6.623 1.00 1.31 H new ATOM 0 HD22 LEU A 92 6.485 -8.924 5.304 1.00 1.31 H new ATOM 0 HD23 LEU A 92 7.787 -10.090 4.971 1.00 1.31 H new ATOM 1413 N MET A 93 10.298 -4.987 2.988 1.00 0.31 N ATOM 1414 CA MET A 93 10.761 -4.568 1.677 1.00 0.33 C ATOM 1415 C MET A 93 12.210 -4.076 1.724 1.00 0.23 C ATOM 1416 O MET A 93 12.482 -2.994 2.240 1.00 0.23 O ATOM 1417 CB MET A 93 9.855 -3.454 1.156 1.00 0.45 C ATOM 1418 CG MET A 93 8.398 -3.867 1.031 1.00 1.05 C ATOM 1419 SD MET A 93 7.316 -2.491 0.604 1.00 1.05 S ATOM 1420 CE MET A 93 5.708 -3.244 0.841 1.00 1.66 C ATOM 0 H MET A 93 9.848 -4.250 3.531 1.00 0.31 H new ATOM 0 HA MET A 93 10.722 -5.428 1.008 1.00 0.33 H new ATOM 0 HB2 MET A 93 9.925 -2.596 1.825 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.217 -3.128 0.181 1.00 0.45 H new ATOM 0 HG2 MET A 93 8.309 -4.643 0.270 1.00 1.05 H new ATOM 0 HG3 MET A 93 8.067 -4.305 1.973 1.00 1.05 H new ATOM 0 HE1 MET A 93 5.007 -2.496 1.211 1.00 1.66 H new ATOM 0 HE2 MET A 93 5.348 -3.640 -0.109 1.00 1.66 H new ATOM 0 HE3 MET A 93 5.789 -4.055 1.565 1.00 1.66 H new ATOM 1430 N PRO A 94 13.162 -4.863 1.176 1.00 0.25 N ATOM 1431 CA PRO A 94 14.580 -4.489 1.151 1.00 0.23 C ATOM 1432 C PRO A 94 14.886 -3.503 0.030 1.00 0.21 C ATOM 1433 O PRO A 94 14.279 -3.569 -1.037 1.00 0.21 O ATOM 1434 CB PRO A 94 15.279 -5.820 0.889 1.00 0.31 C ATOM 1435 CG PRO A 94 14.304 -6.595 0.073 1.00 0.44 C ATOM 1436 CD PRO A 94 12.934 -6.182 0.547 1.00 0.37 C ATOM 0 HA PRO A 94 14.897 -3.994 2.069 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.219 -5.677 0.356 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.516 -6.335 1.820 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.429 -6.382 -0.989 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.454 -7.667 0.203 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.228 -6.114 -0.281 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.524 -6.899 1.258 1.00 0.37 H new ATOM 1444 N ALA A 95 15.818 -2.582 0.278 1.00 0.24 N ATOM 1445 CA ALA A 95 16.196 -1.596 -0.728 1.00 0.27 C ATOM 1446 C ALA A 95 16.429 -2.260 -2.084 1.00 0.27 C ATOM 1447 O ALA A 95 17.193 -3.218 -2.190 1.00 0.31 O ATOM 1448 CB ALA A 95 17.447 -0.853 -0.284 1.00 0.36 C ATOM 0 H ALA A 95 16.321 -2.500 1.162 1.00 0.24 H new ATOM 0 HA ALA A 95 15.377 -0.884 -0.836 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.722 -0.119 -1.041 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.252 -0.345 0.660 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.264 -1.562 -0.153 1.00 0.36 H new ATOM 1454 N GLY A 96 15.763 -1.747 -3.116 1.00 0.27 N ATOM 1455 CA GLY A 96 15.918 -2.304 -4.450 1.00 0.28 C ATOM 1456 C GLY A 96 14.824 -3.297 -4.810 1.00 0.28 C ATOM 1457 O GLY A 96 14.764 -3.775 -5.943 1.00 0.34 O ATOM 0 H GLY A 96 15.120 -0.958 -3.053 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.919 -1.493 -5.178 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.887 -2.798 -4.521 1.00 0.28 H new ATOM 1461 N SER A 97 13.957 -3.606 -3.849 1.00 0.24 N ATOM 1462 CA SER A 97 12.863 -4.550 -4.077 1.00 0.24 C ATOM 1463 C SER A 97 11.755 -3.916 -4.914 1.00 0.19 C ATOM 1464 O SER A 97 11.830 -2.743 -5.274 1.00 0.21 O ATOM 1465 CB SER A 97 12.294 -5.038 -2.739 1.00 0.28 C ATOM 1466 OG SER A 97 11.039 -5.672 -2.907 1.00 1.41 O ATOM 0 H SER A 97 13.989 -3.218 -2.906 1.00 0.24 H new ATOM 0 HA SER A 97 13.263 -5.401 -4.627 1.00 0.24 H new ATOM 0 HB2 SER A 97 12.995 -5.733 -2.277 1.00 0.28 H new ATOM 0 HB3 SER A 97 12.187 -4.193 -2.058 1.00 0.28 H new ATOM 0 HG SER A 97 10.705 -5.973 -2.036 1.00 1.41 H new ATOM 1472 N THR A 98 10.730 -4.705 -5.219 1.00 0.17 N ATOM 1473 CA THR A 98 9.599 -4.234 -6.009 1.00 0.14 C ATOM 1474 C THR A 98 8.337 -4.999 -5.639 1.00 0.13 C ATOM 1475 O THR A 98 8.059 -6.063 -6.191 1.00 0.23 O ATOM 1476 CB THR A 98 9.860 -4.399 -7.518 1.00 0.16 C ATOM 1477 OG1 THR A 98 11.145 -3.861 -7.854 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.783 -3.702 -8.335 1.00 0.18 C ATOM 0 H THR A 98 10.660 -5.680 -4.928 1.00 0.17 H new ATOM 0 HA THR A 98 9.468 -3.175 -5.788 1.00 0.14 H new ATOM 0 HB THR A 98 9.838 -5.463 -7.753 1.00 0.16 H new ATOM 0 HG1 THR A 98 11.123 -2.885 -7.771 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.990 -3.833 -9.397 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.810 -4.134 -8.099 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.776 -2.639 -8.095 1.00 0.18 H new ATOM 1486 N TRP A 99 7.574 -4.452 -4.701 1.00 0.16 N ATOM 1487 CA TRP A 99 6.345 -5.092 -4.251 1.00 0.15 C ATOM 1488 C TRP A 99 5.120 -4.246 -4.560 1.00 0.16 C ATOM 1489 O TRP A 99 5.184 -3.018 -4.584 1.00 0.18 O ATOM 1490 CB TRP A 99 6.395 -5.331 -2.741 1.00 0.19 C ATOM 1491 CG TRP A 99 7.133 -6.567 -2.326 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.854 -7.413 -3.119 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.214 -7.096 -0.998 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.383 -8.429 -2.362 1.00 0.29 N ATOM 1495 CE2 TRP A 99 8.003 -8.257 -1.058 1.00 0.28 C ATOM 1496 CE3 TRP A 99 6.697 -6.694 0.236 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.287 -9.023 0.071 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 6.978 -7.455 1.355 1.00 0.53 C ATOM 1499 CH2 TRP A 99 7.768 -8.608 1.266 1.00 0.49 C ATOM 0 H TRP A 99 7.784 -3.568 -4.238 1.00 0.16 H new ATOM 0 HA TRP A 99 6.265 -6.038 -4.786 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.863 -4.469 -2.266 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.375 -5.389 -2.362 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.988 -7.300 -4.185 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.965 -9.189 -2.714 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.089 -5.805 0.314 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 8.895 -9.913 0.004 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 6.582 -7.156 2.314 1.00 0.53 H new ATOM 0 HH2 TRP A 99 7.971 -9.181 2.159 1.00 0.49 H new ATOM 1510 N GLU A 100 4.004 -4.922 -4.794 1.00 0.17 N ATOM 1511 CA GLU A 100 2.736 -4.255 -5.038 1.00 0.20 C ATOM 1512 C GLU A 100 1.754 -4.723 -3.976 1.00 0.19 C ATOM 1513 O GLU A 100 1.298 -5.867 -3.996 1.00 0.19 O ATOM 1514 CB GLU A 100 2.210 -4.554 -6.447 1.00 0.27 C ATOM 1515 CG GLU A 100 2.150 -6.035 -6.786 1.00 0.95 C ATOM 1516 CD GLU A 100 1.661 -6.290 -8.198 1.00 0.95 C ATOM 1517 OE1 GLU A 100 0.433 -6.416 -8.388 1.00 1.20 O ATOM 1518 OE2 GLU A 100 2.505 -6.363 -9.115 1.00 1.37 O ATOM 0 H GLU A 100 3.953 -5.940 -4.820 1.00 0.17 H new ATOM 0 HA GLU A 100 2.867 -3.174 -4.979 1.00 0.20 H new ATOM 0 HB2 GLU A 100 1.212 -4.128 -6.548 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.846 -4.051 -7.175 1.00 0.27 H new ATOM 0 HG2 GLU A 100 3.141 -6.472 -6.664 1.00 0.95 H new ATOM 0 HG3 GLU A 100 1.490 -6.539 -6.080 1.00 0.95 H new ATOM 1525 N ILE A 101 1.432 -3.840 -3.042 1.00 0.18 N ATOM 1526 CA ILE A 101 0.549 -4.197 -1.945 1.00 0.18 C ATOM 1527 C ILE A 101 -0.831 -3.571 -2.062 1.00 0.18 C ATOM 1528 O ILE A 101 -0.981 -2.411 -2.441 1.00 0.19 O ATOM 1529 CB ILE A 101 1.163 -3.780 -0.594 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.390 -2.267 -0.553 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.469 -4.523 -0.352 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.846 -1.754 0.797 1.00 0.22 C ATOM 0 H ILE A 101 1.767 -2.877 -3.023 1.00 0.18 H new ATOM 0 HA ILE A 101 0.435 -5.280 -1.997 1.00 0.18 H new ATOM 0 HB ILE A 101 0.464 -4.044 0.200 1.00 0.20 H new ATOM 0 HG12 ILE A 101 2.135 -2.000 -1.303 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.464 -1.762 -0.829 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.890 -4.217 0.606 1.00 0.25 H new ATOM 0 HG22 ILE A 101 2.280 -5.596 -0.339 1.00 0.25 H new ATOM 0 HG23 ILE A 101 3.174 -4.288 -1.149 1.00 0.25 H new ATOM 0 HD11 ILE A 101 1.986 -0.674 0.748 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.092 -1.988 1.549 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.789 -2.230 1.068 1.00 0.22 H new ATOM 1544 N TYR A 102 -1.834 -4.370 -1.727 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.217 -3.925 -1.722 1.00 0.22 C ATOM 1546 C TYR A 102 -3.735 -4.038 -0.296 1.00 0.22 C ATOM 1547 O TYR A 102 -4.027 -5.131 0.185 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.065 -4.761 -2.684 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.461 -6.106 -3.027 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.607 -6.253 -4.114 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -3.750 -7.230 -2.266 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.060 -7.480 -4.432 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.206 -8.459 -2.579 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.363 -8.580 -3.661 1.00 0.27 C ATOM 1555 OH TYR A 102 -1.822 -9.805 -3.974 1.00 0.31 O ATOM 0 H TYR A 102 -1.710 -5.344 -1.451 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.281 -2.892 -2.063 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.049 -4.918 -2.242 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.215 -4.196 -3.604 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.367 -5.392 -4.720 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.411 -7.142 -1.416 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.399 -7.577 -5.280 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.441 -9.324 -1.977 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.251 -9.718 -4.766 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.838 -2.897 0.375 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.257 -2.861 1.770 1.00 0.29 C ATOM 1567 C VAL A 103 -5.741 -2.539 1.950 1.00 0.29 C ATOM 1568 O VAL A 103 -6.155 -1.393 1.779 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.428 -1.816 2.541 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.760 -1.847 4.021 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -1.942 -2.046 2.319 1.00 0.33 C ATOM 0 H VAL A 103 -3.636 -1.981 -0.027 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.089 -3.863 2.164 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.685 -0.828 2.159 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -3.162 -1.100 4.544 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.818 -1.627 4.161 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.538 -2.836 4.423 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.372 -1.299 2.871 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.671 -3.042 2.671 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.716 -1.963 1.256 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.568 -3.551 2.296 1.00 0.28 N ATOM 1582 CA PRO A 104 -7.997 -3.346 2.541 1.00 0.34 C ATOM 1583 C PRO A 104 -8.230 -2.359 3.679 1.00 0.34 C ATOM 1584 O PRO A 104 -7.395 -2.232 4.574 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.514 -4.732 2.934 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.502 -5.689 2.413 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.186 -4.968 2.449 1.00 0.33 C ATOM 0 HA PRO A 104 -8.503 -2.931 1.669 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -8.620 -4.821 4.015 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.496 -4.923 2.501 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.468 -6.591 3.024 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -7.747 -6.001 1.398 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.658 -5.143 3.386 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -5.526 -5.295 1.645 1.00 0.33 H new ATOM 1595 N SER A 105 -9.349 -1.650 3.631 1.00 0.45 N ATOM 1596 CA SER A 105 -9.684 -0.669 4.660 1.00 0.51 C ATOM 1597 C SER A 105 -9.512 -1.238 6.072 1.00 0.44 C ATOM 1598 O SER A 105 -8.964 -0.576 6.955 1.00 0.48 O ATOM 1599 CB SER A 105 -11.124 -0.194 4.470 1.00 0.66 C ATOM 1600 OG SER A 105 -11.964 -1.258 4.054 1.00 1.81 O ATOM 0 H SER A 105 -10.044 -1.734 2.889 1.00 0.45 H new ATOM 0 HA SER A 105 -8.996 0.170 4.554 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.498 0.224 5.404 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.151 0.605 3.729 1.00 0.66 H new ATOM 0 HG SER A 105 -12.483 -0.978 3.271 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.965 -2.472 6.269 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.884 -3.117 7.574 1.00 0.36 C ATOM 1608 C GLY A 106 -8.476 -3.209 8.141 1.00 0.36 C ATOM 1609 O GLY A 106 -8.300 -3.580 9.303 1.00 0.40 O ATOM 0 H GLY A 106 -10.392 -3.045 5.541 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.511 -2.568 8.277 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.298 -4.122 7.496 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.475 -2.873 7.339 1.00 0.37 N ATOM 1614 CA LEU A 107 -6.082 -2.963 7.779 1.00 0.42 C ATOM 1615 C LEU A 107 -5.629 -1.722 8.548 1.00 0.45 C ATOM 1616 O LEU A 107 -4.712 -1.799 9.367 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.168 -3.200 6.578 1.00 0.61 C ATOM 1618 CG LEU A 107 -4.166 -4.344 6.739 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -3.328 -4.150 7.992 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -4.887 -5.683 6.779 1.00 1.60 C ATOM 0 H LEU A 107 -7.596 -2.537 6.384 1.00 0.37 H new ATOM 0 HA LEU A 107 -6.015 -3.807 8.465 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.788 -3.401 5.704 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.617 -2.282 6.374 1.00 0.61 H new ATOM 0 HG LEU A 107 -3.498 -4.339 5.877 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -2.621 -4.974 8.088 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -2.781 -3.210 7.922 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -3.980 -4.127 8.865 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -4.158 -6.485 6.894 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -5.579 -5.698 7.621 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -5.441 -5.826 5.851 1.00 1.60 H new ATOM 1632 N ALA A 108 -6.263 -0.584 8.291 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.893 0.655 8.972 1.00 0.60 C ATOM 1634 C ALA A 108 -7.116 1.327 9.609 1.00 0.67 C ATOM 1635 O ALA A 108 -7.833 0.706 10.394 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.194 1.593 7.997 1.00 0.66 C ATOM 0 H ALA A 108 -7.028 -0.491 7.623 1.00 0.45 H new ATOM 0 HA ALA A 108 -5.202 0.414 9.780 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.921 2.515 8.511 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.295 1.113 7.611 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -5.865 1.824 7.170 1.00 0.66 H new ATOM 1642 N TYR A 109 -7.350 2.595 9.267 1.00 0.54 N ATOM 1643 CA TYR A 109 -8.482 3.346 9.804 1.00 0.68 C ATOM 1644 C TYR A 109 -9.709 3.166 8.916 1.00 1.04 C ATOM 1645 O TYR A 109 -10.749 3.789 9.133 1.00 1.44 O ATOM 1646 CB TYR A 109 -8.124 4.829 9.908 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.817 5.087 10.622 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.762 5.145 12.009 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.636 5.270 9.911 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.570 5.380 12.667 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.441 5.505 10.563 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.413 5.558 11.940 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.224 5.792 12.593 1.00 1.35 O ATOM 0 H TYR A 109 -6.767 3.124 8.618 1.00 0.54 H new ATOM 0 HA TYR A 109 -8.713 2.965 10.799 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -8.070 5.252 8.905 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.924 5.352 10.432 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.666 5.004 12.583 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.653 5.228 8.832 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.545 5.424 13.746 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.533 5.647 9.996 1.00 0.79 H new ATOM 0 HH TYR A 109 -2.504 5.894 11.936 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.557 2.312 7.910 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.621 2.033 6.960 1.00 1.58 C ATOM 1665 C GLY A 110 -12.023 1.984 7.559 1.00 0.83 C ATOM 1666 O GLY A 110 -12.780 2.949 7.447 1.00 0.93 O ATOM 0 H GLY A 110 -8.695 1.797 7.733 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.601 2.795 6.181 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.415 1.078 6.477 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.388 0.868 8.218 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.723 0.678 8.804 1.00 0.83 C ATOM 1672 C PRO A 111 -14.112 1.771 9.789 1.00 1.02 C ATOM 1673 O PRO A 111 -15.276 1.878 10.178 1.00 1.49 O ATOM 1674 CB PRO A 111 -13.619 -0.672 9.529 1.00 1.41 C ATOM 1675 CG PRO A 111 -12.159 -0.961 9.620 1.00 1.39 C ATOM 1676 CD PRO A 111 -11.536 -0.303 8.426 1.00 0.88 C ATOM 0 HA PRO A 111 -14.493 0.712 8.033 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -14.072 -0.622 10.519 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -14.141 -1.455 8.979 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -11.740 -0.568 10.546 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -11.972 -2.035 9.616 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -10.500 -0.021 8.615 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -11.534 -0.961 7.557 1.00 0.88 H new ATOM 1684 N ARG A 112 -13.146 2.582 10.192 1.00 0.94 N ATOM 1685 CA ARG A 112 -13.417 3.673 11.116 1.00 1.23 C ATOM 1686 C ARG A 112 -13.963 4.874 10.354 1.00 0.85 C ATOM 1687 O ARG A 112 -13.497 5.188 9.258 1.00 0.72 O ATOM 1688 CB ARG A 112 -12.146 4.060 11.874 1.00 1.70 C ATOM 1689 CG ARG A 112 -11.479 2.893 12.588 1.00 2.18 C ATOM 1690 CD ARG A 112 -12.270 2.455 13.812 1.00 2.28 C ATOM 1691 NE ARG A 112 -13.542 1.831 13.456 1.00 2.49 N ATOM 1692 CZ ARG A 112 -14.562 1.701 14.299 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -14.465 2.162 15.540 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -15.681 1.112 13.903 1.00 3.51 N ATOM 0 H ARG A 112 -12.173 2.507 9.896 1.00 0.94 H new ATOM 0 HA ARG A 112 -14.162 3.343 11.840 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -11.436 4.500 11.174 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -12.390 4.830 12.606 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -11.380 2.054 11.899 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -10.471 3.179 12.889 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -11.674 1.753 14.395 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -12.458 3.319 14.449 1.00 2.28 H new ATOM 0 HE ARG A 112 -13.654 1.475 12.507 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -13.606 2.617 15.849 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -15.249 2.061 16.184 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -15.761 0.757 12.950 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -16.462 1.013 14.551 1.00 3.51 H new ATOM 1708 N SER A 113 -14.954 5.543 10.937 1.00 0.87 N ATOM 1709 CA SER A 113 -15.562 6.711 10.307 1.00 0.75 C ATOM 1710 C SER A 113 -14.533 7.821 10.129 1.00 0.91 C ATOM 1711 O SER A 113 -14.820 8.867 9.546 1.00 1.34 O ATOM 1712 CB SER A 113 -16.741 7.214 11.140 1.00 1.01 C ATOM 1713 OG SER A 113 -17.378 8.314 10.514 1.00 1.63 O ATOM 0 H SER A 113 -15.352 5.297 11.843 1.00 0.87 H new ATOM 0 HA SER A 113 -15.929 6.417 9.324 1.00 0.75 H new ATOM 0 HB2 SER A 113 -17.460 6.407 11.282 1.00 1.01 H new ATOM 0 HB3 SER A 113 -16.391 7.508 12.130 1.00 1.01 H new ATOM 0 HG SER A 113 -16.739 8.773 9.930 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.337 7.577 10.645 1.00 1.07 N ATOM 1720 CA VAL A 114 -12.242 8.535 10.557 1.00 1.57 C ATOM 1721 C VAL A 114 -11.147 8.015 9.627 1.00 1.35 C ATOM 1722 O VAL A 114 -9.985 7.906 10.017 1.00 1.61 O ATOM 1723 CB VAL A 114 -11.637 8.825 11.946 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -10.742 10.055 11.897 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -12.736 8.996 12.983 1.00 2.90 C ATOM 0 H VAL A 114 -13.098 6.714 11.134 1.00 1.07 H new ATOM 0 HA VAL A 114 -12.651 9.461 10.154 1.00 1.57 H new ATOM 0 HB VAL A 114 -11.024 7.972 12.238 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -10.326 10.242 12.887 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -9.931 9.887 11.188 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -11.327 10.918 11.581 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -12.289 9.200 13.956 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -13.379 9.828 12.697 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -13.328 8.083 13.040 1.00 2.90 H new ATOM 1735 N GLY A 115 -11.531 7.684 8.398 1.00 1.05 N ATOM 1736 CA GLY A 115 -10.574 7.172 7.432 1.00 0.96 C ATOM 1737 C GLY A 115 -9.373 8.081 7.262 1.00 0.87 C ATOM 1738 O GLY A 115 -9.507 9.219 6.812 1.00 0.97 O ATOM 0 H GLY A 115 -12.488 7.761 8.053 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -10.236 6.185 7.749 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -11.068 7.045 6.469 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.195 7.579 7.629 1.00 0.80 N ATOM 1743 CA GLY A 116 -6.981 8.365 7.503 1.00 0.80 C ATOM 1744 C GLY A 116 -6.559 8.539 6.053 1.00 0.70 C ATOM 1745 O GLY A 116 -7.353 9.004 5.235 1.00 0.75 O ATOM 0 H GLY A 116 -8.061 6.643 8.011 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -7.136 9.345 7.955 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.177 7.881 8.058 1.00 0.80 H new ATOM 1749 N PRO A 117 -5.309 8.178 5.695 1.00 0.62 N ATOM 1750 CA PRO A 117 -4.826 8.311 4.316 1.00 0.60 C ATOM 1751 C PRO A 117 -5.685 7.523 3.335 1.00 0.53 C ATOM 1752 O PRO A 117 -5.904 7.953 2.202 1.00 0.59 O ATOM 1753 CB PRO A 117 -3.404 7.735 4.368 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.345 6.944 5.630 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.278 7.624 6.587 1.00 0.59 C ATOM 0 HA PRO A 117 -4.861 9.344 3.969 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.202 7.107 3.500 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -2.658 8.529 4.367 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -3.647 5.911 5.458 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -2.330 6.917 6.027 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -4.700 6.924 7.308 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -3.775 8.404 7.158 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.166 6.365 3.776 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.022 5.529 2.947 1.00 0.40 C ATOM 1765 C ILE A 118 -8.487 5.873 3.197 1.00 0.43 C ATOM 1766 O ILE A 118 -8.919 5.962 4.348 1.00 0.50 O ATOM 1767 CB ILE A 118 -6.781 4.021 3.202 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.378 3.615 2.744 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -7.825 3.178 2.492 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -4.282 4.048 3.689 1.00 1.25 C ATOM 0 H ILE A 118 -5.976 5.985 4.704 1.00 0.44 H new ATOM 0 HA ILE A 118 -6.771 5.731 1.906 1.00 0.40 H new ATOM 0 HB ILE A 118 -6.865 3.844 4.274 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.341 2.531 2.631 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.188 4.044 1.760 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.634 2.123 2.686 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -8.817 3.441 2.860 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -7.775 3.364 1.419 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -3.317 3.725 3.299 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -4.291 5.134 3.783 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -4.447 3.598 4.668 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.242 6.077 2.119 1.00 0.43 N ATOM 1783 CA GLY A 119 -10.649 6.418 2.246 1.00 0.48 C ATOM 1784 C GLY A 119 -11.383 5.507 3.214 1.00 0.45 C ATOM 1785 O GLY A 119 -10.975 4.362 3.413 1.00 0.40 O ATOM 0 H GLY A 119 -8.903 6.012 1.159 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -10.740 7.450 2.584 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.124 6.360 1.266 1.00 0.48 H new ATOM 1789 N PRO A 120 -12.481 5.982 3.834 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.246 5.176 4.789 1.00 0.56 C ATOM 1791 C PRO A 120 -13.839 3.938 4.131 1.00 0.51 C ATOM 1792 O PRO A 120 -14.485 4.027 3.087 1.00 0.48 O ATOM 1793 CB PRO A 120 -14.355 6.123 5.263 1.00 0.64 C ATOM 1794 CG PRO A 120 -14.455 7.163 4.201 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.066 7.320 3.647 1.00 0.59 C ATOM 0 HA PRO A 120 -12.625 4.803 5.604 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.300 5.594 5.387 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.109 6.567 6.228 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.154 6.860 3.422 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -14.821 8.105 4.610 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.081 7.611 2.597 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -12.503 8.085 4.181 1.00 0.59 H new ATOM 1803 N ASN A 121 -13.627 2.787 4.760 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.117 1.517 4.237 1.00 0.58 C ATOM 1805 C ASN A 121 -13.777 1.390 2.756 1.00 0.49 C ATOM 1806 O ASN A 121 -14.537 0.818 1.979 1.00 0.53 O ATOM 1807 CB ASN A 121 -15.630 1.418 4.435 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.063 1.966 5.778 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.111 1.243 6.773 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -16.388 3.251 5.807 1.00 0.67 N ATOM 0 H ASN A 121 -13.115 2.708 5.639 1.00 0.55 H new ATOM 0 HA ASN A 121 -13.633 0.705 4.780 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.136 1.965 3.640 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -15.939 0.376 4.352 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -16.694 3.680 6.680 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.332 3.810 4.956 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.618 1.922 2.380 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.165 1.875 0.995 1.00 0.35 C ATOM 1819 C GLU A 122 -10.903 1.037 0.855 1.00 0.31 C ATOM 1820 O GLU A 122 -9.957 1.195 1.625 1.00 0.33 O ATOM 1821 CB GLU A 122 -11.896 3.288 0.470 1.00 0.35 C ATOM 1822 CG GLU A 122 -13.154 4.090 0.185 1.00 1.09 C ATOM 1823 CD GLU A 122 -12.854 5.490 -0.315 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -12.316 5.618 -1.435 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.159 6.458 0.413 1.00 1.73 O ATOM 0 H GLU A 122 -11.975 2.392 3.017 1.00 0.40 H new ATOM 0 HA GLU A 122 -12.958 1.413 0.407 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -11.291 3.827 1.199 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.306 3.219 -0.444 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -13.755 3.564 -0.557 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -13.753 4.153 1.093 1.00 1.09 H new ATOM 1832 N THR A 123 -10.893 0.143 -0.125 1.00 0.26 N ATOM 1833 CA THR A 123 -9.724 -0.683 -0.372 1.00 0.24 C ATOM 1834 C THR A 123 -8.876 -0.028 -1.454 1.00 0.22 C ATOM 1835 O THR A 123 -9.374 0.299 -2.528 1.00 0.24 O ATOM 1836 CB THR A 123 -10.114 -2.107 -0.809 1.00 0.25 C ATOM 1837 OG1 THR A 123 -10.916 -2.726 0.204 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.876 -2.952 -1.066 1.00 0.24 C ATOM 0 H THR A 123 -11.676 -0.026 -0.756 1.00 0.26 H new ATOM 0 HA THR A 123 -9.159 -0.766 0.557 1.00 0.24 H new ATOM 0 HB THR A 123 -10.686 -2.036 -1.734 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.897 -3.699 0.087 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.177 -3.954 -1.373 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.280 -2.494 -1.855 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.283 -3.015 -0.154 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.594 0.162 -1.173 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.705 0.813 -2.128 1.00 0.19 C ATOM 1848 C LEU A 124 -5.593 -0.118 -2.604 1.00 0.17 C ATOM 1849 O LEU A 124 -5.252 -1.096 -1.939 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.087 2.058 -1.486 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.954 3.324 -1.504 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -8.378 3.034 -1.054 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -6.335 4.390 -0.617 1.00 1.47 C ATOM 0 H LEU A 124 -7.149 -0.122 -0.300 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.301 1.090 -2.998 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -5.841 1.824 -0.450 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.148 2.277 -1.995 1.00 0.23 H new ATOM 0 HG LEU A 124 -6.996 3.685 -2.531 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -8.962 3.954 -1.080 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -8.828 2.300 -1.722 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -8.365 2.640 -0.038 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -6.957 5.285 -0.636 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -6.266 4.018 0.405 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -5.338 4.634 -0.983 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.038 0.204 -3.768 1.00 0.15 N ATOM 1866 CA ILE A 125 -3.944 -0.560 -4.347 1.00 0.14 C ATOM 1867 C ILE A 125 -2.690 0.297 -4.390 1.00 0.13 C ATOM 1868 O ILE A 125 -2.762 1.500 -4.641 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.269 -1.032 -5.779 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.570 -1.827 -5.796 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.127 -1.868 -6.340 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.814 -0.965 -5.844 1.00 0.20 C ATOM 0 H ILE A 125 -5.334 1.000 -4.333 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.790 -1.438 -3.720 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.393 -0.152 -6.411 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.567 -2.492 -6.660 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.611 -2.458 -4.908 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.375 -2.192 -7.351 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.216 -1.270 -6.364 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -2.971 -2.742 -5.707 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.698 -1.602 -5.854 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.843 -0.318 -4.967 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.798 -0.353 -6.746 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.542 -0.319 -4.145 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.286 0.415 -4.142 1.00 0.14 C ATOM 1886 C PHE A 126 0.806 -0.333 -4.897 1.00 0.14 C ATOM 1887 O PHE A 126 1.014 -1.530 -4.694 1.00 0.16 O ATOM 1888 CB PHE A 126 0.166 0.667 -2.702 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.877 1.334 -1.849 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.136 2.690 -1.979 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.595 0.605 -0.914 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.091 3.305 -1.191 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.551 1.216 -0.123 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.798 2.567 -0.261 1.00 0.24 C ATOM 0 H PHE A 126 -1.455 -1.316 -3.948 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.456 1.365 -4.649 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.442 -0.284 -2.246 1.00 0.16 H new ATOM 0 HB3 PHE A 126 1.063 1.287 -2.715 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.586 3.272 -2.704 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.406 -0.452 -0.802 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.284 4.362 -1.302 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.104 0.637 0.602 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.543 3.047 0.357 1.00 0.24 H new ATOM 1904 N LYS A 127 1.499 0.388 -5.770 1.00 0.14 N ATOM 1905 CA LYS A 127 2.596 -0.179 -6.542 1.00 0.15 C ATOM 1906 C LYS A 127 3.904 0.393 -6.017 1.00 0.16 C ATOM 1907 O LYS A 127 4.254 1.534 -6.315 1.00 0.19 O ATOM 1908 CB LYS A 127 2.431 0.148 -8.028 1.00 0.18 C ATOM 1909 CG LYS A 127 3.519 -0.441 -8.912 1.00 0.89 C ATOM 1910 CD LYS A 127 3.460 -1.961 -8.935 1.00 1.23 C ATOM 1911 CE LYS A 127 4.463 -2.541 -9.918 1.00 1.62 C ATOM 1912 NZ LYS A 127 4.236 -2.043 -11.302 1.00 2.28 N ATOM 0 H LYS A 127 1.318 1.373 -5.961 1.00 0.14 H new ATOM 0 HA LYS A 127 2.597 -1.264 -6.436 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.462 -0.221 -8.366 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.421 1.231 -8.153 1.00 0.18 H new ATOM 0 HG2 LYS A 127 3.412 -0.057 -9.926 1.00 0.89 H new ATOM 0 HG3 LYS A 127 4.496 -0.120 -8.551 1.00 0.89 H new ATOM 0 HD2 LYS A 127 3.661 -2.349 -7.937 1.00 1.23 H new ATOM 0 HD3 LYS A 127 2.455 -2.283 -9.206 1.00 1.23 H new ATOM 0 HE2 LYS A 127 5.473 -2.283 -9.601 1.00 1.62 H new ATOM 0 HE3 LYS A 127 4.394 -3.629 -9.908 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 4.717 -2.669 -11.979 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 3.216 -2.033 -11.504 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 4.616 -1.079 -11.391 1.00 2.28 H new ATOM 1926 N ILE A 128 4.632 -0.404 -5.249 1.00 0.16 N ATOM 1927 CA ILE A 128 5.875 0.061 -4.652 1.00 0.19 C ATOM 1928 C ILE A 128 7.108 -0.454 -5.372 1.00 0.18 C ATOM 1929 O ILE A 128 7.312 -1.660 -5.506 1.00 0.22 O ATOM 1930 CB ILE A 128 5.976 -0.354 -3.175 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.637 -0.125 -2.467 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.092 0.424 -2.488 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.659 -0.452 -0.990 1.00 0.82 C ATOM 0 H ILE A 128 4.386 -1.368 -5.026 1.00 0.16 H new ATOM 0 HA ILE A 128 5.847 1.147 -4.741 1.00 0.19 H new ATOM 0 HB ILE A 128 6.213 -1.417 -3.121 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.344 0.917 -2.594 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.873 -0.732 -2.952 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.155 0.123 -1.442 1.00 0.27 H new ATOM 0 HG22 ILE A 128 8.040 0.215 -2.984 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.880 1.492 -2.546 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.675 -0.264 -0.561 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.920 -1.502 -0.854 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.398 0.173 -0.490 1.00 0.82 H new ATOM 1945 N HIS A 129 7.928 0.480 -5.829 1.00 0.15 N ATOM 1946 CA HIS A 129 9.176 0.146 -6.488 1.00 0.15 C ATOM 1947 C HIS A 129 10.321 0.694 -5.652 1.00 0.15 C ATOM 1948 O HIS A 129 10.635 1.883 -5.709 1.00 0.15 O ATOM 1949 CB HIS A 129 9.223 0.715 -7.907 1.00 0.15 C ATOM 1950 CG HIS A 129 9.830 -0.232 -8.895 1.00 0.17 C ATOM 1951 ND1 HIS A 129 10.896 -1.060 -8.784 1.00 0.22 N flip ATOM 1952 CD2 HIS A 129 9.323 -0.432 -10.160 1.00 0.20 C flip ATOM 1953 CE1 HIS A 129 11.010 -1.746 -9.969 1.00 0.26 C flip ATOM 1954 NE2 HIS A 129 10.048 -1.345 -10.782 1.00 0.26 N flip ATOM 0 H HIS A 129 7.748 1.481 -5.754 1.00 0.15 H new ATOM 0 HA HIS A 129 9.262 -0.937 -6.574 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.211 0.966 -8.226 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.795 1.643 -7.902 1.00 0.15 H new ATOM 0 HD2 HIS A 129 8.467 0.077 -10.578 1.00 0.20 H new ATOM 0 HE1 HIS A 129 11.760 -2.489 -10.198 1.00 0.26 H new ATOM 0 HE2 HIS A 129 9.891 -1.684 -11.731 1.00 0.26 H new ATOM 1963 N LEU A 130 10.944 -0.183 -4.876 1.00 0.16 N ATOM 1964 CA LEU A 130 12.030 0.216 -3.993 1.00 0.17 C ATOM 1965 C LEU A 130 13.331 0.402 -4.757 1.00 0.17 C ATOM 1966 O LEU A 130 13.814 -0.519 -5.414 1.00 0.25 O ATOM 1967 CB LEU A 130 12.226 -0.834 -2.893 1.00 0.22 C ATOM 1968 CG LEU A 130 12.197 -0.302 -1.457 1.00 0.46 C ATOM 1969 CD1 LEU A 130 13.181 0.846 -1.282 1.00 1.36 C ATOM 1970 CD2 LEU A 130 10.788 0.129 -1.078 1.00 1.41 C ATOM 0 H LEU A 130 10.715 -1.176 -4.841 1.00 0.16 H new ATOM 0 HA LEU A 130 11.759 1.172 -3.545 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.449 -1.592 -2.996 1.00 0.22 H new ATOM 0 HB3 LEU A 130 13.181 -1.332 -3.057 1.00 0.22 H new ATOM 0 HG LEU A 130 12.501 -1.107 -0.788 1.00 0.46 H new ATOM 0 HD11 LEU A 130 13.141 1.206 -0.254 1.00 1.36 H new ATOM 0 HD12 LEU A 130 14.189 0.498 -1.506 1.00 1.36 H new ATOM 0 HD13 LEU A 130 12.918 1.657 -1.961 1.00 1.36 H new ATOM 0 HD21 LEU A 130 10.785 0.504 -0.055 1.00 1.41 H new ATOM 0 HD22 LEU A 130 10.454 0.916 -1.754 1.00 1.41 H new ATOM 0 HD23 LEU A 130 10.114 -0.724 -1.153 1.00 1.41 H new ATOM 1982 N ILE A 131 13.886 1.608 -4.679 1.00 0.13 N ATOM 1983 CA ILE A 131 15.144 1.906 -5.346 1.00 0.15 C ATOM 1984 C ILE A 131 16.307 1.690 -4.389 1.00 0.17 C ATOM 1985 O ILE A 131 17.213 0.904 -4.664 1.00 0.22 O ATOM 1986 CB ILE A 131 15.176 3.358 -5.871 1.00 0.18 C ATOM 1987 CG1 ILE A 131 14.047 3.592 -6.881 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.530 3.672 -6.493 1.00 0.26 C ATOM 1989 CD1 ILE A 131 14.145 2.726 -8.122 1.00 1.17 C ATOM 0 H ILE A 131 13.484 2.390 -4.162 1.00 0.13 H new ATOM 0 HA ILE A 131 15.235 1.231 -6.197 1.00 0.15 H new ATOM 0 HB ILE A 131 15.023 4.032 -5.028 1.00 0.18 H new ATOM 0 HG12 ILE A 131 13.091 3.404 -6.393 1.00 0.16 H new ATOM 0 HG13 ILE A 131 14.051 4.640 -7.180 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.534 4.699 -6.857 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.312 3.550 -5.743 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.715 2.992 -7.324 1.00 0.26 H new ATOM 0 HD11 ILE A 131 13.312 2.949 -8.788 1.00 1.17 H new ATOM 0 HD12 ILE A 131 15.085 2.931 -8.635 1.00 1.17 H new ATOM 0 HD13 ILE A 131 14.109 1.675 -7.836 1.00 1.17 H new ATOM 2001 N SER A 132 16.274 2.392 -3.260 1.00 0.17 N ATOM 2002 CA SER A 132 17.319 2.258 -2.256 1.00 0.20 C ATOM 2003 C SER A 132 16.888 2.854 -0.919 1.00 0.22 C ATOM 2004 O SER A 132 15.933 3.628 -0.847 1.00 0.23 O ATOM 2005 CB SER A 132 18.609 2.925 -2.730 1.00 0.23 C ATOM 2006 OG SER A 132 18.490 4.337 -2.717 1.00 1.17 O ATOM 0 H SER A 132 15.538 3.056 -3.020 1.00 0.17 H new ATOM 0 HA SER A 132 17.500 1.193 -2.112 1.00 0.20 H new ATOM 0 HB2 SER A 132 19.436 2.621 -2.088 1.00 0.23 H new ATOM 0 HB3 SER A 132 18.847 2.587 -3.738 1.00 0.23 H new ATOM 0 HG SER A 132 19.330 4.739 -3.023 1.00 1.17 H new ATOM 2012 N VAL A 133 17.605 2.482 0.135 1.00 0.25 N ATOM 2013 CA VAL A 133 17.330 2.975 1.480 1.00 0.29 C ATOM 2014 C VAL A 133 18.411 3.958 1.908 1.00 0.41 C ATOM 2015 O VAL A 133 19.598 3.700 1.705 1.00 0.57 O ATOM 2016 CB VAL A 133 17.275 1.820 2.494 1.00 0.45 C ATOM 2017 CG1 VAL A 133 18.611 1.097 2.551 1.00 1.16 C ATOM 2018 CG2 VAL A 133 16.877 2.335 3.870 1.00 1.43 C ATOM 0 H VAL A 133 18.390 1.833 0.082 1.00 0.25 H new ATOM 0 HA VAL A 133 16.361 3.473 1.459 1.00 0.29 H new ATOM 0 HB VAL A 133 16.517 1.108 2.167 1.00 0.45 H new ATOM 0 HG11 VAL A 133 18.554 0.283 3.274 1.00 1.16 H new ATOM 0 HG12 VAL A 133 18.848 0.693 1.567 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.391 1.796 2.853 1.00 1.16 H new ATOM 0 HG21 VAL A 133 16.843 1.504 4.574 1.00 1.43 H new ATOM 0 HG22 VAL A 133 17.608 3.069 4.209 1.00 1.43 H new ATOM 0 HG23 VAL A 133 15.894 2.802 3.813 1.00 1.43 H new ATOM 2028 N LYS A 134 17.997 5.082 2.495 1.00 0.41 N ATOM 2029 CA LYS A 134 18.934 6.107 2.957 1.00 0.58 C ATOM 2030 C LYS A 134 20.097 6.272 1.983 1.00 0.68 C ATOM 2031 O LYS A 134 19.939 6.085 0.775 1.00 1.28 O ATOM 2032 CB LYS A 134 19.450 5.770 4.364 1.00 0.69 C ATOM 2033 CG LYS A 134 20.134 4.417 4.478 1.00 1.69 C ATOM 2034 CD LYS A 134 20.519 4.116 5.917 1.00 1.90 C ATOM 2035 CE LYS A 134 21.079 2.710 6.064 1.00 2.62 C ATOM 2036 NZ LYS A 134 21.506 2.428 7.462 1.00 3.08 N ATOM 0 H LYS A 134 17.016 5.306 2.662 1.00 0.41 H new ATOM 0 HA LYS A 134 18.399 7.056 3.001 1.00 0.58 H new ATOM 0 HB2 LYS A 134 20.151 6.545 4.675 1.00 0.69 H new ATOM 0 HB3 LYS A 134 18.612 5.799 5.061 1.00 0.69 H new ATOM 0 HG2 LYS A 134 19.469 3.638 4.106 1.00 1.69 H new ATOM 0 HG3 LYS A 134 21.025 4.403 3.850 1.00 1.69 H new ATOM 0 HD2 LYS A 134 21.260 4.841 6.255 1.00 1.90 H new ATOM 0 HD3 LYS A 134 19.646 4.229 6.559 1.00 1.90 H new ATOM 0 HE2 LYS A 134 20.324 1.985 5.761 1.00 2.62 H new ATOM 0 HE3 LYS A 134 21.928 2.585 5.392 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 21.754 1.422 7.553 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 22.334 3.012 7.696 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 20.728 2.653 8.115 1.00 3.08 H new ATOM 2050 N LYS A 135 21.258 6.633 2.510 1.00 0.95 N ATOM 2051 CA LYS A 135 22.445 6.804 1.685 1.00 1.05 C ATOM 2052 C LYS A 135 23.051 5.447 1.344 1.00 0.97 C ATOM 2053 O LYS A 135 24.186 5.358 0.873 1.00 0.99 O ATOM 2054 CB LYS A 135 23.479 7.682 2.398 1.00 1.19 C ATOM 2055 CG LYS A 135 23.149 9.167 2.364 1.00 1.67 C ATOM 2056 CD LYS A 135 21.959 9.504 3.250 1.00 2.16 C ATOM 2057 CE LYS A 135 21.572 10.970 3.126 1.00 2.86 C ATOM 2058 NZ LYS A 135 22.701 11.875 3.476 1.00 3.16 N ATOM 0 H LYS A 135 21.403 6.813 3.503 1.00 0.95 H new ATOM 0 HA LYS A 135 22.151 7.301 0.760 1.00 1.05 H new ATOM 0 HB2 LYS A 135 23.561 7.361 3.436 1.00 1.19 H new ATOM 0 HB3 LYS A 135 24.455 7.525 1.938 1.00 1.19 H new ATOM 0 HG2 LYS A 135 24.018 9.739 2.689 1.00 1.67 H new ATOM 0 HG3 LYS A 135 22.935 9.468 1.338 1.00 1.67 H new ATOM 0 HD2 LYS A 135 21.110 8.878 2.976 1.00 2.16 H new ATOM 0 HD3 LYS A 135 22.201 9.276 4.288 1.00 2.16 H new ATOM 0 HE2 LYS A 135 21.246 11.174 2.106 1.00 2.86 H new ATOM 0 HE3 LYS A 135 20.724 11.178 3.779 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 22.351 12.851 3.561 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 23.117 11.577 4.381 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 23.425 11.831 2.731 1.00 3.16 H new ATOM 2072 N SER A 136 22.275 4.393 1.595 1.00 0.99 N ATOM 2073 CA SER A 136 22.699 3.023 1.322 1.00 0.96 C ATOM 2074 C SER A 136 23.874 2.630 2.209 1.00 1.03 C ATOM 2075 O SER A 136 24.988 2.417 1.728 1.00 1.31 O ATOM 2076 CB SER A 136 23.072 2.855 -0.154 1.00 0.95 C ATOM 2077 OG SER A 136 23.481 1.527 -0.430 1.00 1.19 O ATOM 0 H SER A 136 21.338 4.466 1.992 1.00 0.99 H new ATOM 0 HA SER A 136 21.861 2.363 1.547 1.00 0.96 H new ATOM 0 HB2 SER A 136 22.217 3.113 -0.780 1.00 0.95 H new ATOM 0 HB3 SER A 136 23.875 3.546 -0.410 1.00 0.95 H new ATOM 0 HG SER A 136 24.257 1.302 0.125 1.00 1.19 H new ATOM 2083 N SER A 137 23.616 2.533 3.510 1.00 0.91 N ATOM 2084 CA SER A 137 24.654 2.165 4.469 1.00 1.03 C ATOM 2085 C SER A 137 24.479 0.722 4.932 1.00 1.82 C ATOM 2086 O SER A 137 25.103 -0.173 4.324 1.00 2.51 O ATOM 2087 CB SER A 137 24.623 3.108 5.675 1.00 1.57 C ATOM 2088 OG SER A 137 24.761 4.459 5.271 1.00 2.37 O ATOM 2089 OXT SER A 137 23.719 0.499 5.898 1.00 2.53 O ATOM 0 H SER A 137 22.700 2.704 3.924 1.00 0.91 H new ATOM 0 HA SER A 137 25.620 2.254 3.973 1.00 1.03 H new ATOM 0 HB2 SER A 137 23.685 2.981 6.216 1.00 1.57 H new ATOM 0 HB3 SER A 137 25.426 2.848 6.365 1.00 1.57 H new ATOM 0 HG SER A 137 24.736 5.040 6.060 1.00 2.37 H new TER 2095 SER A 137