USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1079 hydrogens (27 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 29 TYR OH : rot 144:sc= 0.26 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.594 USER MOD Single : A 6 SER OG : rot -160:sc= -0.473 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.108) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.604 K(o=0.6,f=-4.5!) USER MOD Single : A 38 SER OG : rot -160:sc= -0.076 USER MOD Single : A 47 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.29) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.449 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 57 CYS SG : rot 72:sc= -0.341 USER MOD Single : A 59 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.19) USER MOD Single : A 63 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.035) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -44:sc= -0.0126 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 77 SER OG : rot 94:sc= 0.00359 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 81 THR OG1 : rot 69:sc= 1.15 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-4.8!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0283 X(o=-0.028,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.63!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.628 K(o=-0.63,f=-3) USER MOD Single : A 117 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 122 THR OG1 : rot -104:sc= 0.803 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.428 K(o=-0.43,f=-1.4) USER MOD Single : A 126 SER OG : rot 180:sc= -0.414 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.143 14.987 -4.379 1.00 14.52 N ATOM 2 CA GLY A 2 2.208 15.784 -5.155 1.00 64.31 C ATOM 3 C GLY A 2 2.182 15.384 -6.617 1.00 34.12 C ATOM 4 O GLY A 2 1.528 16.033 -7.432 1.00 72.53 O ATOM 0 HA2 GLY A 2 1.208 15.678 -4.734 1.00 64.31 H new ATOM 0 HA3 GLY A 2 2.478 16.837 -5.074 1.00 64.31 H new ATOM 8 N ALA A 3 2.895 14.313 -6.949 1.00 74.11 N ATOM 9 CA ALA A 3 2.949 13.827 -8.323 1.00 0.40 C ATOM 10 C ALA A 3 1.971 12.677 -8.538 1.00 2.40 C ATOM 11 O ALA A 3 1.329 12.213 -7.596 1.00 74.12 O ATOM 12 CB ALA A 3 4.364 13.392 -8.672 1.00 53.24 C ATOM 0 H ALA A 3 3.443 13.765 -6.286 1.00 74.11 H new ATOM 0 HA ALA A 3 2.658 14.644 -8.983 1.00 0.40 H new ATOM 0 HB1 ALA A 3 4.391 13.031 -9.700 1.00 53.24 H new ATOM 0 HB2 ALA A 3 5.041 14.239 -8.567 1.00 53.24 H new ATOM 0 HB3 ALA A 3 4.675 12.593 -7.999 1.00 53.24 H new ATOM 18 N ARG A 4 1.863 12.224 -9.782 1.00 73.10 N ATOM 19 CA ARG A 4 0.962 11.129 -10.120 1.00 72.35 C ATOM 20 C ARG A 4 1.706 9.797 -10.138 1.00 13.35 C ATOM 21 O ARG A 4 1.587 9.021 -11.085 1.00 43.11 O ATOM 22 CB ARG A 4 0.310 11.379 -11.482 1.00 31.41 C ATOM 23 CG ARG A 4 -1.059 10.737 -11.629 1.00 14.24 C ATOM 24 CD ARG A 4 -2.021 11.642 -12.384 1.00 32.25 C ATOM 25 NE ARG A 4 -2.676 12.604 -11.501 1.00 33.41 N ATOM 26 CZ ARG A 4 -3.448 13.593 -11.935 1.00 41.11 C ATOM 27 NH1 ARG A 4 -3.661 13.750 -13.234 1.00 43.33 N ATOM 28 NH2 ARG A 4 -4.010 14.427 -11.070 1.00 22.41 N ATOM 0 H ARG A 4 2.388 12.598 -10.573 1.00 73.10 H new ATOM 0 HA ARG A 4 0.186 11.082 -9.356 1.00 72.35 H new ATOM 0 HB2 ARG A 4 0.217 12.454 -11.639 1.00 31.41 H new ATOM 0 HB3 ARG A 4 0.966 10.999 -12.265 1.00 31.41 H new ATOM 0 HG2 ARG A 4 -0.962 9.787 -12.155 1.00 14.24 H new ATOM 0 HG3 ARG A 4 -1.466 10.514 -10.642 1.00 14.24 H new ATOM 0 HD2 ARG A 4 -1.479 12.177 -13.164 1.00 32.25 H new ATOM 0 HD3 ARG A 4 -2.777 11.033 -12.881 1.00 32.25 H new ATOM 0 HE ARG A 4 -2.532 12.511 -10.496 1.00 33.41 H new ATOM 0 HH11 ARG A 4 -3.231 13.110 -13.902 1.00 43.33 H new ATOM 0 HH12 ARG A 4 -4.255 14.511 -13.565 1.00 43.33 H new ATOM 0 HH21 ARG A 4 -3.849 14.309 -10.070 1.00 22.41 H new ATOM 0 HH22 ARG A 4 -4.603 15.186 -11.405 1.00 22.41 H new ATOM 42 N ALA A 5 2.472 9.540 -9.083 1.00 41.00 N ATOM 43 CA ALA A 5 3.234 8.302 -8.976 1.00 2.22 C ATOM 44 C ALA A 5 3.186 7.749 -7.555 1.00 71.41 C ATOM 45 O ALA A 5 2.464 8.265 -6.702 1.00 13.12 O ATOM 46 CB ALA A 5 4.675 8.530 -9.406 1.00 43.43 C ATOM 0 H ALA A 5 2.581 10.173 -8.290 1.00 41.00 H new ATOM 0 HA ALA A 5 2.780 7.567 -9.640 1.00 2.22 H new ATOM 0 HB1 ALA A 5 5.232 7.597 -9.321 1.00 43.43 H new ATOM 0 HB2 ALA A 5 4.696 8.872 -10.441 1.00 43.43 H new ATOM 0 HB3 ALA A 5 5.131 9.285 -8.765 1.00 43.43 H new ATOM 52 N SER A 6 3.958 6.696 -7.309 1.00 24.52 N ATOM 53 CA SER A 6 4.000 6.070 -5.992 1.00 2.31 C ATOM 54 C SER A 6 5.438 5.941 -5.497 1.00 53.22 C ATOM 55 O SER A 6 6.385 6.035 -6.277 1.00 31.32 O ATOM 56 CB SER A 6 3.340 4.690 -6.039 1.00 53.44 C ATOM 57 OG SER A 6 3.606 3.957 -4.857 1.00 25.04 O ATOM 0 H SER A 6 4.563 6.258 -8.004 1.00 24.52 H new ATOM 0 HA SER A 6 3.450 6.705 -5.297 1.00 2.31 H new ATOM 0 HB2 SER A 6 2.263 4.803 -6.166 1.00 53.44 H new ATOM 0 HB3 SER A 6 3.707 4.137 -6.904 1.00 53.44 H new ATOM 0 HG SER A 6 3.462 3.002 -5.025 1.00 25.04 H new ATOM 63 N ARG A 7 5.591 5.728 -4.194 1.00 70.43 N ATOM 64 CA ARG A 7 6.912 5.588 -3.594 1.00 31.44 C ATOM 65 C ARG A 7 7.460 4.180 -3.808 1.00 22.23 C ATOM 66 O ARG A 7 8.589 4.005 -4.269 1.00 42.43 O ATOM 67 CB ARG A 7 6.850 5.900 -2.097 1.00 31.32 C ATOM 68 CG ARG A 7 6.901 7.386 -1.782 1.00 74.53 C ATOM 69 CD ARG A 7 8.272 7.971 -2.080 1.00 42.50 C ATOM 70 NE ARG A 7 8.195 9.377 -2.468 1.00 12.33 N ATOM 71 CZ ARG A 7 8.107 10.376 -1.596 1.00 12.44 C ATOM 72 NH1 ARG A 7 8.086 10.124 -0.295 1.00 10.32 N ATOM 73 NH2 ARG A 7 8.040 11.630 -2.026 1.00 61.23 N ATOM 0 H ARG A 7 4.817 5.649 -3.534 1.00 70.43 H new ATOM 0 HA ARG A 7 7.582 6.298 -4.080 1.00 31.44 H new ATOM 0 HB2 ARG A 7 5.932 5.481 -1.685 1.00 31.32 H new ATOM 0 HB3 ARG A 7 7.680 5.402 -1.596 1.00 31.32 H new ATOM 0 HG2 ARG A 7 6.146 7.909 -2.368 1.00 74.53 H new ATOM 0 HG3 ARG A 7 6.657 7.545 -0.732 1.00 74.53 H new ATOM 0 HD2 ARG A 7 8.907 7.872 -1.200 1.00 42.50 H new ATOM 0 HD3 ARG A 7 8.744 7.400 -2.879 1.00 42.50 H new ATOM 0 HE ARG A 7 8.210 9.604 -3.462 1.00 12.33 H new ATOM 0 HH11 ARG A 7 8.137 9.162 0.039 1.00 10.32 H new ATOM 0 HH12 ARG A 7 8.018 10.892 0.372 1.00 10.32 H new ATOM 0 HH21 ARG A 7 8.056 11.828 -3.027 1.00 61.23 H new ATOM 0 HH22 ARG A 7 7.972 12.396 -1.356 1.00 61.23 H new ATOM 87 N LEU A 8 6.655 3.179 -3.470 1.00 34.44 N ATOM 88 CA LEU A 8 7.059 1.786 -3.625 1.00 44.22 C ATOM 89 C LEU A 8 7.588 1.526 -5.031 1.00 65.13 C ATOM 90 O LEU A 8 6.905 1.788 -6.021 1.00 15.42 O ATOM 91 CB LEU A 8 5.881 0.856 -3.331 1.00 12.24 C ATOM 92 CG LEU A 8 5.150 1.097 -2.009 1.00 53.12 C ATOM 93 CD1 LEU A 8 4.140 -0.011 -1.748 1.00 40.43 C ATOM 94 CD2 LEU A 8 6.143 1.196 -0.861 1.00 13.35 C ATOM 0 H LEU A 8 5.718 3.306 -3.087 1.00 34.44 H new ATOM 0 HA LEU A 8 7.859 1.585 -2.912 1.00 44.22 H new ATOM 0 HB2 LEU A 8 5.160 0.947 -4.144 1.00 12.24 H new ATOM 0 HB3 LEU A 8 6.244 -0.172 -3.340 1.00 12.24 H new ATOM 0 HG LEU A 8 4.612 2.042 -2.080 1.00 53.12 H new ATOM 0 HD11 LEU A 8 3.630 0.177 -0.803 1.00 40.43 H new ATOM 0 HD12 LEU A 8 3.410 -0.035 -2.557 1.00 40.43 H new ATOM 0 HD13 LEU A 8 4.657 -0.969 -1.697 1.00 40.43 H new ATOM 0 HD21 LEU A 8 5.605 1.368 0.071 1.00 13.35 H new ATOM 0 HD22 LEU A 8 6.709 0.267 -0.788 1.00 13.35 H new ATOM 0 HD23 LEU A 8 6.828 2.024 -1.043 1.00 13.35 H new ATOM 106 N SER A 9 8.809 1.006 -5.113 1.00 33.22 N ATOM 107 CA SER A 9 9.431 0.711 -6.399 1.00 15.14 C ATOM 108 C SER A 9 9.185 -0.740 -6.801 1.00 2.40 C ATOM 109 O SER A 9 8.475 -1.475 -6.115 1.00 5.13 O ATOM 110 CB SER A 9 10.934 0.988 -6.338 1.00 14.15 C ATOM 111 OG SER A 9 11.567 0.158 -5.379 1.00 73.33 O ATOM 0 H SER A 9 9.387 0.780 -4.304 1.00 33.22 H new ATOM 0 HA SER A 9 8.980 1.359 -7.150 1.00 15.14 H new ATOM 0 HB2 SER A 9 11.378 0.820 -7.319 1.00 14.15 H new ATOM 0 HB3 SER A 9 11.104 2.035 -6.086 1.00 14.15 H new ATOM 0 HG SER A 9 12.527 0.353 -5.360 1.00 73.33 H new ATOM 117 N GLY A 10 9.778 -1.146 -7.920 1.00 10.42 N ATOM 118 CA GLY A 10 9.612 -2.507 -8.395 1.00 61.34 C ATOM 119 C GLY A 10 9.860 -3.535 -7.309 1.00 71.13 C ATOM 120 O GLY A 10 9.120 -4.510 -7.187 1.00 3.03 O ATOM 0 H GLY A 10 10.370 -0.557 -8.505 1.00 10.42 H new ATOM 0 HA2 GLY A 10 8.602 -2.632 -8.785 1.00 61.34 H new ATOM 0 HA3 GLY A 10 10.298 -2.686 -9.223 1.00 61.34 H new ATOM 124 N GLY A 11 10.908 -3.318 -6.520 1.00 23.22 N ATOM 125 CA GLY A 11 11.235 -4.243 -5.450 1.00 53.11 C ATOM 126 C GLY A 11 10.074 -4.467 -4.503 1.00 71.41 C ATOM 127 O GLY A 11 9.620 -5.597 -4.324 1.00 13.10 O ATOM 0 H GLY A 11 11.536 -2.519 -6.602 1.00 23.22 H new ATOM 0 HA2 GLY A 11 11.539 -5.198 -5.879 1.00 53.11 H new ATOM 0 HA3 GLY A 11 12.088 -3.859 -4.890 1.00 53.11 H new ATOM 131 N GLU A 12 9.592 -3.389 -3.893 1.00 4.43 N ATOM 132 CA GLU A 12 8.478 -3.475 -2.955 1.00 44.43 C ATOM 133 C GLU A 12 7.186 -3.838 -3.679 1.00 61.54 C ATOM 134 O GLU A 12 6.259 -4.388 -3.082 1.00 42.52 O ATOM 135 CB GLU A 12 8.304 -2.148 -2.213 1.00 35.21 C ATOM 136 CG GLU A 12 7.826 -2.311 -0.780 1.00 53.24 C ATOM 137 CD GLU A 12 8.879 -2.926 0.120 1.00 20.04 C ATOM 138 OE1 GLU A 12 10.016 -3.136 -0.353 1.00 14.01 O ATOM 139 OE2 GLU A 12 8.566 -3.199 1.298 1.00 42.13 O ATOM 0 H GLU A 12 9.955 -2.446 -4.031 1.00 4.43 H new ATOM 0 HA GLU A 12 8.703 -4.260 -2.233 1.00 44.43 H new ATOM 0 HB2 GLU A 12 9.255 -1.615 -2.212 1.00 35.21 H new ATOM 0 HB3 GLU A 12 7.591 -1.528 -2.757 1.00 35.21 H new ATOM 0 HG2 GLU A 12 7.539 -1.337 -0.384 1.00 53.24 H new ATOM 0 HG3 GLU A 12 6.933 -2.936 -0.768 1.00 53.24 H new ATOM 146 N LEU A 13 7.131 -3.528 -4.970 1.00 74.30 N ATOM 147 CA LEU A 13 5.951 -3.822 -5.778 1.00 2.13 C ATOM 148 C LEU A 13 5.744 -5.327 -5.912 1.00 21.41 C ATOM 149 O LEU A 13 4.619 -5.796 -6.090 1.00 10.34 O ATOM 150 CB LEU A 13 6.087 -3.189 -7.164 1.00 31.13 C ATOM 151 CG LEU A 13 4.883 -3.345 -8.093 1.00 62.25 C ATOM 152 CD1 LEU A 13 3.782 -2.369 -7.709 1.00 23.32 C ATOM 153 CD2 LEU A 13 5.299 -3.139 -9.543 1.00 33.40 C ATOM 0 H LEU A 13 7.889 -3.074 -5.480 1.00 74.30 H new ATOM 0 HA LEU A 13 5.082 -3.398 -5.275 1.00 2.13 H new ATOM 0 HB2 LEU A 13 6.288 -2.125 -7.038 1.00 31.13 H new ATOM 0 HB3 LEU A 13 6.958 -3.622 -7.655 1.00 31.13 H new ATOM 0 HG LEU A 13 4.495 -4.358 -7.987 1.00 62.25 H new ATOM 0 HD11 LEU A 13 2.933 -2.495 -8.381 1.00 23.32 H new ATOM 0 HD12 LEU A 13 3.465 -2.563 -6.684 1.00 23.32 H new ATOM 0 HD13 LEU A 13 4.157 -1.349 -7.786 1.00 23.32 H new ATOM 0 HD21 LEU A 13 4.430 -3.254 -10.191 1.00 33.40 H new ATOM 0 HD22 LEU A 13 5.712 -2.138 -9.664 1.00 33.40 H new ATOM 0 HD23 LEU A 13 6.053 -3.878 -9.814 1.00 33.40 H new ATOM 165 N ASP A 14 6.836 -6.079 -5.822 1.00 74.41 N ATOM 166 CA ASP A 14 6.773 -7.533 -5.930 1.00 63.15 C ATOM 167 C ASP A 14 5.936 -8.126 -4.802 1.00 32.33 C ATOM 168 O ASP A 14 5.120 -9.021 -5.023 1.00 43.31 O ATOM 169 CB ASP A 14 8.182 -8.128 -5.904 1.00 62.04 C ATOM 170 CG ASP A 14 8.440 -9.055 -7.077 1.00 1.15 C ATOM 171 OD1 ASP A 14 7.955 -10.204 -7.041 1.00 24.41 O ATOM 172 OD2 ASP A 14 9.128 -8.630 -8.030 1.00 11.14 O ATOM 0 H ASP A 14 7.774 -5.707 -5.675 1.00 74.41 H new ATOM 0 HA ASP A 14 6.299 -7.783 -6.879 1.00 63.15 H new ATOM 0 HB2 ASP A 14 8.915 -7.321 -5.914 1.00 62.04 H new ATOM 0 HB3 ASP A 14 8.325 -8.676 -4.973 1.00 62.04 H new ATOM 177 N LYS A 15 6.145 -7.623 -3.589 1.00 75.42 N ATOM 178 CA LYS A 15 5.410 -8.102 -2.425 1.00 23.23 C ATOM 179 C LYS A 15 4.011 -7.499 -2.378 1.00 15.01 C ATOM 180 O LYS A 15 3.044 -8.176 -2.029 1.00 34.23 O ATOM 181 CB LYS A 15 6.169 -7.757 -1.141 1.00 22.34 C ATOM 182 CG LYS A 15 6.915 -8.936 -0.540 1.00 34.01 C ATOM 183 CD LYS A 15 8.209 -9.215 -1.286 1.00 21.25 C ATOM 184 CE LYS A 15 9.097 -10.182 -0.517 1.00 41.13 C ATOM 185 NZ LYS A 15 10.339 -9.523 -0.025 1.00 15.04 N ATOM 0 H LYS A 15 6.818 -6.883 -3.387 1.00 75.42 H new ATOM 0 HA LYS A 15 5.316 -9.185 -2.506 1.00 23.23 H new ATOM 0 HB2 LYS A 15 6.879 -6.958 -1.352 1.00 22.34 H new ATOM 0 HB3 LYS A 15 5.464 -7.370 -0.405 1.00 22.34 H new ATOM 0 HG2 LYS A 15 7.135 -8.733 0.508 1.00 34.01 H new ATOM 0 HG3 LYS A 15 6.280 -9.822 -0.567 1.00 34.01 H new ATOM 0 HD2 LYS A 15 7.982 -9.630 -2.268 1.00 21.25 H new ATOM 0 HD3 LYS A 15 8.744 -8.280 -1.451 1.00 21.25 H new ATOM 0 HE2 LYS A 15 8.543 -10.590 0.328 1.00 41.13 H new ATOM 0 HE3 LYS A 15 9.362 -11.022 -1.160 1.00 41.13 H new ATOM 0 HZ1 LYS A 15 10.917 -10.215 0.494 1.00 15.04 H new ATOM 0 HZ2 LYS A 15 10.881 -9.156 -0.833 1.00 15.04 H new ATOM 0 HZ3 LYS A 15 10.088 -8.738 0.609 1.00 15.04 H new ATOM 199 N TRP A 16 3.909 -6.223 -2.733 1.00 65.14 N ATOM 200 CA TRP A 16 2.627 -5.530 -2.734 1.00 14.52 C ATOM 201 C TRP A 16 1.638 -6.211 -3.674 1.00 61.00 C ATOM 202 O TRP A 16 0.446 -6.290 -3.384 1.00 53.51 O ATOM 203 CB TRP A 16 2.813 -4.067 -3.144 1.00 20.45 C ATOM 204 CG TRP A 16 1.524 -3.313 -3.259 1.00 40.15 C ATOM 205 CD1 TRP A 16 0.924 -2.885 -4.410 1.00 25.42 C ATOM 206 CD2 TRP A 16 0.676 -2.895 -2.184 1.00 33.44 C ATOM 207 NE1 TRP A 16 -0.245 -2.227 -4.113 1.00 73.12 N ATOM 208 CE2 TRP A 16 -0.421 -2.221 -2.755 1.00 1.13 C ATOM 209 CE3 TRP A 16 0.735 -3.027 -0.794 1.00 31.52 C ATOM 210 CZ2 TRP A 16 -1.445 -1.680 -1.984 1.00 14.22 C ATOM 211 CZ3 TRP A 16 -0.284 -2.491 -0.029 1.00 43.11 C ATOM 212 CH2 TRP A 16 -1.362 -1.824 -0.625 1.00 72.05 C ATOM 0 H TRP A 16 4.699 -5.648 -3.024 1.00 65.14 H new ATOM 0 HA TRP A 16 2.223 -5.569 -1.722 1.00 14.52 H new ATOM 0 HB2 TRP A 16 3.452 -3.571 -2.413 1.00 20.45 H new ATOM 0 HB3 TRP A 16 3.334 -4.029 -4.101 1.00 20.45 H new ATOM 0 HD1 TRP A 16 1.312 -3.041 -5.406 1.00 25.42 H new ATOM 0 HE1 TRP A 16 -0.879 -1.810 -4.794 1.00 73.12 H new ATOM 0 HE3 TRP A 16 1.563 -3.539 -0.326 1.00 31.52 H new ATOM 0 HZ2 TRP A 16 -2.276 -1.164 -2.442 1.00 14.22 H new ATOM 0 HZ3 TRP A 16 -0.248 -2.588 1.046 1.00 43.11 H new ATOM 0 HH2 TRP A 16 -2.143 -1.415 -0.000 1.00 72.05 H new ATOM 223 N GLU A 17 2.144 -6.704 -4.801 1.00 54.40 N ATOM 224 CA GLU A 17 1.304 -7.379 -5.783 1.00 13.22 C ATOM 225 C GLU A 17 1.209 -8.872 -5.484 1.00 43.40 C ATOM 226 O GLU A 17 0.436 -9.595 -6.113 1.00 31.35 O ATOM 227 CB GLU A 17 1.857 -7.164 -7.194 1.00 4.13 C ATOM 228 CG GLU A 17 1.608 -5.768 -7.740 1.00 22.05 C ATOM 229 CD GLU A 17 1.741 -5.700 -9.249 1.00 30.42 C ATOM 230 OE1 GLU A 17 2.451 -6.553 -9.820 1.00 62.41 O ATOM 231 OE2 GLU A 17 1.136 -4.794 -9.857 1.00 51.41 O ATOM 0 H GLU A 17 3.130 -6.648 -5.056 1.00 54.40 H new ATOM 0 HA GLU A 17 0.304 -6.950 -5.723 1.00 13.22 H new ATOM 0 HB2 GLU A 17 2.930 -7.356 -7.188 1.00 4.13 H new ATOM 0 HB3 GLU A 17 1.406 -7.894 -7.867 1.00 4.13 H new ATOM 0 HG2 GLU A 17 0.609 -5.442 -7.452 1.00 22.05 H new ATOM 0 HG3 GLU A 17 2.313 -5.073 -7.285 1.00 22.05 H new ATOM 238 N LYS A 18 2.001 -9.328 -4.519 1.00 41.41 N ATOM 239 CA LYS A 18 2.007 -10.733 -4.133 1.00 63.34 C ATOM 240 C LYS A 18 0.848 -11.046 -3.193 1.00 43.51 C ATOM 241 O LYS A 18 0.482 -12.206 -3.008 1.00 73.23 O ATOM 242 CB LYS A 18 3.334 -11.093 -3.462 1.00 0.25 C ATOM 243 CG LYS A 18 4.077 -12.226 -4.148 1.00 43.22 C ATOM 244 CD LYS A 18 3.792 -13.563 -3.485 1.00 0.40 C ATOM 245 CE LYS A 18 4.466 -13.665 -2.125 1.00 63.44 C ATOM 246 NZ LYS A 18 4.948 -15.048 -1.848 1.00 14.50 N ATOM 0 H LYS A 18 2.648 -8.743 -3.990 1.00 41.41 H new ATOM 0 HA LYS A 18 1.889 -11.332 -5.036 1.00 63.34 H new ATOM 0 HB2 LYS A 18 3.973 -10.210 -3.443 1.00 0.25 H new ATOM 0 HB3 LYS A 18 3.143 -11.370 -2.425 1.00 0.25 H new ATOM 0 HG2 LYS A 18 3.786 -12.270 -5.197 1.00 43.22 H new ATOM 0 HG3 LYS A 18 5.148 -12.027 -4.122 1.00 43.22 H new ATOM 0 HD2 LYS A 18 2.716 -13.691 -3.370 1.00 0.40 H new ATOM 0 HD3 LYS A 18 4.142 -14.371 -4.127 1.00 0.40 H new ATOM 0 HE2 LYS A 18 5.306 -12.972 -2.083 1.00 63.44 H new ATOM 0 HE3 LYS A 18 3.764 -13.362 -1.348 1.00 63.44 H new ATOM 0 HZ1 LYS A 18 5.401 -15.077 -0.912 1.00 14.50 H new ATOM 0 HZ2 LYS A 18 4.143 -15.706 -1.863 1.00 14.50 H new ATOM 0 HZ3 LYS A 18 5.637 -15.328 -2.575 1.00 14.50 H new ATOM 260 N ILE A 19 0.274 -10.003 -2.603 1.00 43.31 N ATOM 261 CA ILE A 19 -0.846 -10.166 -1.684 1.00 42.52 C ATOM 262 C ILE A 19 -2.178 -9.961 -2.398 1.00 63.20 C ATOM 263 O ILE A 19 -2.292 -9.121 -3.291 1.00 33.04 O ATOM 264 CB ILE A 19 -0.753 -9.182 -0.502 1.00 63.23 C ATOM 265 CG1 ILE A 19 0.559 -9.388 0.259 1.00 51.43 C ATOM 266 CG2 ILE A 19 -1.944 -9.356 0.428 1.00 61.53 C ATOM 267 CD1 ILE A 19 1.016 -8.161 1.016 1.00 25.20 C ATOM 0 H ILE A 19 0.566 -9.036 -2.745 1.00 43.31 H new ATOM 0 HA ILE A 19 -0.794 -11.186 -1.302 1.00 42.52 H new ATOM 0 HB ILE A 19 -0.769 -8.165 -0.893 1.00 63.23 H new ATOM 0 HG12 ILE A 19 0.437 -10.214 0.960 1.00 51.43 H new ATOM 0 HG13 ILE A 19 1.337 -9.681 -0.446 1.00 51.43 H new ATOM 0 HG21 ILE A 19 -1.863 -8.654 1.258 1.00 61.53 H new ATOM 0 HG22 ILE A 19 -2.866 -9.164 -0.121 1.00 61.53 H new ATOM 0 HG23 ILE A 19 -1.958 -10.375 0.815 1.00 61.53 H new ATOM 0 HD11 ILE A 19 1.951 -8.379 1.532 1.00 25.20 H new ATOM 0 HD12 ILE A 19 1.170 -7.339 0.317 1.00 25.20 H new ATOM 0 HD13 ILE A 19 0.257 -7.880 1.746 1.00 25.20 H new ATOM 279 N ARG A 20 -3.182 -10.733 -1.997 1.00 62.34 N ATOM 280 CA ARG A 20 -4.507 -10.636 -2.598 1.00 70.05 C ATOM 281 C ARG A 20 -5.487 -9.956 -1.647 1.00 52.54 C ATOM 282 O ARG A 20 -5.257 -9.898 -0.439 1.00 70.03 O ATOM 283 CB ARG A 20 -5.024 -12.027 -2.973 1.00 3.45 C ATOM 284 CG ARG A 20 -4.735 -13.087 -1.922 1.00 43.02 C ATOM 285 CD ARG A 20 -3.531 -13.934 -2.302 1.00 70.21 C ATOM 286 NE ARG A 20 -3.827 -14.838 -3.409 1.00 63.44 N ATOM 287 CZ ARG A 20 -4.621 -15.898 -3.302 1.00 31.05 C ATOM 288 NH1 ARG A 20 -5.196 -16.184 -2.142 1.00 13.20 N ATOM 289 NH2 ARG A 20 -4.841 -16.673 -4.356 1.00 52.02 N ATOM 0 H ARG A 20 -3.104 -11.432 -1.259 1.00 62.34 H new ATOM 0 HA ARG A 20 -4.425 -10.031 -3.501 1.00 70.05 H new ATOM 0 HB2 ARG A 20 -6.100 -11.974 -3.137 1.00 3.45 H new ATOM 0 HB3 ARG A 20 -4.573 -12.331 -3.917 1.00 3.45 H new ATOM 0 HG2 ARG A 20 -4.555 -12.607 -0.960 1.00 43.02 H new ATOM 0 HG3 ARG A 20 -5.608 -13.728 -1.800 1.00 43.02 H new ATOM 0 HD2 ARG A 20 -2.702 -13.283 -2.578 1.00 70.21 H new ATOM 0 HD3 ARG A 20 -3.208 -14.513 -1.437 1.00 70.21 H new ATOM 0 HE ARG A 20 -3.401 -14.645 -4.315 1.00 63.44 H new ATOM 0 HH11 ARG A 20 -5.029 -15.590 -1.330 1.00 13.20 H new ATOM 0 HH12 ARG A 20 -5.805 -16.998 -2.062 1.00 13.20 H new ATOM 0 HH21 ARG A 20 -4.400 -16.455 -5.250 1.00 52.02 H new ATOM 0 HH22 ARG A 20 -5.451 -17.486 -4.273 1.00 52.02 H new ATOM 303 N LEU A 21 -6.580 -9.442 -2.201 1.00 43.02 N ATOM 304 CA LEU A 21 -7.596 -8.765 -1.403 1.00 30.15 C ATOM 305 C LEU A 21 -8.521 -9.774 -0.730 1.00 34.04 C ATOM 306 O LEU A 21 -9.021 -9.535 0.369 1.00 14.35 O ATOM 307 CB LEU A 21 -8.411 -7.813 -2.279 1.00 70.42 C ATOM 308 CG LEU A 21 -7.674 -7.203 -3.472 1.00 14.10 C ATOM 309 CD1 LEU A 21 -8.616 -6.339 -4.296 1.00 53.33 C ATOM 310 CD2 LEU A 21 -6.478 -6.389 -3.000 1.00 60.21 C ATOM 0 H LEU A 21 -6.785 -9.481 -3.199 1.00 43.02 H new ATOM 0 HA LEU A 21 -7.090 -8.190 -0.627 1.00 30.15 H new ATOM 0 HB2 LEU A 21 -9.283 -8.351 -2.652 1.00 70.42 H new ATOM 0 HB3 LEU A 21 -8.781 -7.002 -1.652 1.00 70.42 H new ATOM 0 HG LEU A 21 -7.311 -8.014 -4.104 1.00 14.10 H new ATOM 0 HD11 LEU A 21 -8.074 -5.913 -5.141 1.00 53.33 H new ATOM 0 HD12 LEU A 21 -9.441 -6.949 -4.664 1.00 53.33 H new ATOM 0 HD13 LEU A 21 -9.009 -5.535 -3.674 1.00 53.33 H new ATOM 0 HD21 LEU A 21 -5.965 -5.962 -3.862 1.00 60.21 H new ATOM 0 HD22 LEU A 21 -6.819 -5.586 -2.347 1.00 60.21 H new ATOM 0 HD23 LEU A 21 -5.791 -7.035 -2.453 1.00 60.21 H new ATOM 322 N ARG A 22 -8.743 -10.901 -1.396 1.00 60.31 N ATOM 323 CA ARG A 22 -9.608 -11.948 -0.862 1.00 41.44 C ATOM 324 C ARG A 22 -8.793 -13.173 -0.461 1.00 34.53 C ATOM 325 O ARG A 22 -7.643 -13.344 -0.864 1.00 10.03 O ATOM 326 CB ARG A 22 -10.666 -12.341 -1.896 1.00 51.20 C ATOM 327 CG ARG A 22 -11.982 -11.597 -1.732 1.00 61.34 C ATOM 328 CD ARG A 22 -12.748 -11.528 -3.044 1.00 75.41 C ATOM 329 NE ARG A 22 -14.177 -11.309 -2.832 1.00 42.31 N ATOM 330 CZ ARG A 22 -15.107 -11.591 -3.738 1.00 23.40 C ATOM 331 NH1 ARG A 22 -14.760 -12.102 -4.911 1.00 24.53 N ATOM 332 NH2 ARG A 22 -16.386 -11.363 -3.470 1.00 71.33 N ATOM 0 H ARG A 22 -8.336 -11.114 -2.307 1.00 60.31 H new ATOM 0 HA ARG A 22 -10.105 -11.557 0.026 1.00 41.44 H new ATOM 0 HB2 ARG A 22 -10.273 -12.152 -2.895 1.00 51.20 H new ATOM 0 HB3 ARG A 22 -10.852 -13.413 -1.824 1.00 51.20 H new ATOM 0 HG2 ARG A 22 -12.592 -12.095 -0.979 1.00 61.34 H new ATOM 0 HG3 ARG A 22 -11.788 -10.588 -1.369 1.00 61.34 H new ATOM 0 HD2 ARG A 22 -12.345 -10.722 -3.657 1.00 75.41 H new ATOM 0 HD3 ARG A 22 -12.602 -12.455 -3.599 1.00 75.41 H new ATOM 0 HE ARG A 22 -14.477 -10.918 -1.939 1.00 42.31 H new ATOM 0 HH11 ARG A 22 -13.777 -12.279 -5.119 1.00 24.53 H new ATOM 0 HH12 ARG A 22 -15.476 -12.318 -5.605 1.00 24.53 H new ATOM 0 HH21 ARG A 22 -16.656 -10.971 -2.568 1.00 71.33 H new ATOM 0 HH22 ARG A 22 -17.099 -11.580 -4.166 1.00 71.33 H new ATOM 346 N PRO A 23 -9.403 -14.048 0.354 1.00 50.24 N ATOM 347 CA PRO A 23 -8.754 -15.273 0.828 1.00 63.00 C ATOM 348 C PRO A 23 -8.560 -16.296 -0.287 1.00 43.41 C ATOM 349 O PRO A 23 -7.473 -16.846 -0.456 1.00 31.03 O ATOM 350 CB PRO A 23 -9.729 -15.808 1.879 1.00 5.52 C ATOM 351 CG PRO A 23 -11.054 -15.253 1.484 1.00 51.13 C ATOM 352 CD PRO A 23 -10.774 -13.908 0.872 1.00 0.12 C ATOM 0 HA PRO A 23 -7.753 -15.080 1.214 1.00 63.00 H new ATOM 0 HB2 PRO A 23 -9.743 -16.898 1.888 1.00 5.52 H new ATOM 0 HB3 PRO A 23 -9.447 -15.485 2.881 1.00 5.52 H new ATOM 0 HG2 PRO A 23 -11.555 -15.909 0.772 1.00 51.13 H new ATOM 0 HG3 PRO A 23 -11.711 -15.159 2.349 1.00 51.13 H new ATOM 0 HD2 PRO A 23 -11.482 -13.673 0.077 1.00 0.12 H new ATOM 0 HD3 PRO A 23 -10.845 -13.108 1.609 1.00 0.12 H new ATOM 360 N GLY A 24 -9.623 -16.545 -1.047 1.00 33.34 N ATOM 361 CA GLY A 24 -9.548 -17.501 -2.135 1.00 41.13 C ATOM 362 C GLY A 24 -9.986 -16.907 -3.459 1.00 74.34 C ATOM 363 O GLY A 24 -10.538 -17.605 -4.309 1.00 23.32 O ATOM 0 H GLY A 24 -10.534 -16.101 -0.928 1.00 33.34 H new ATOM 0 HA2 GLY A 24 -8.525 -17.866 -2.225 1.00 41.13 H new ATOM 0 HA3 GLY A 24 -10.174 -18.362 -1.902 1.00 41.13 H new ATOM 367 N GLY A 25 -9.743 -15.612 -3.635 1.00 23.12 N ATOM 368 CA GLY A 25 -10.125 -14.946 -4.866 1.00 1.53 C ATOM 369 C GLY A 25 -8.993 -14.895 -5.873 1.00 4.03 C ATOM 370 O GLY A 25 -7.982 -15.580 -5.717 1.00 70.42 O ATOM 0 H GLY A 25 -9.288 -15.012 -2.947 1.00 23.12 H new ATOM 0 HA2 GLY A 25 -10.976 -15.465 -5.307 1.00 1.53 H new ATOM 0 HA3 GLY A 25 -10.452 -13.931 -4.640 1.00 1.53 H new ATOM 374 N LYS A 26 -9.162 -14.082 -6.911 1.00 23.21 N ATOM 375 CA LYS A 26 -8.147 -13.945 -7.948 1.00 45.11 C ATOM 376 C LYS A 26 -7.644 -12.506 -8.031 1.00 33.44 C ATOM 377 O LYS A 26 -6.654 -12.222 -8.703 1.00 40.22 O ATOM 378 CB LYS A 26 -8.712 -14.378 -9.303 1.00 51.31 C ATOM 379 CG LYS A 26 -9.186 -15.820 -9.332 1.00 11.34 C ATOM 380 CD LYS A 26 -8.253 -16.698 -10.148 1.00 44.21 C ATOM 381 CE LYS A 26 -8.739 -16.848 -11.581 1.00 63.15 C ATOM 382 NZ LYS A 26 -7.931 -17.843 -12.340 1.00 53.13 N ATOM 0 H LYS A 26 -9.993 -13.508 -7.056 1.00 23.21 H new ATOM 0 HA LYS A 26 -7.308 -14.590 -7.688 1.00 45.11 H new ATOM 0 HB2 LYS A 26 -9.545 -13.725 -9.565 1.00 51.31 H new ATOM 0 HB3 LYS A 26 -7.947 -14.241 -10.067 1.00 51.31 H new ATOM 0 HG2 LYS A 26 -9.250 -16.203 -8.314 1.00 11.34 H new ATOM 0 HG3 LYS A 26 -10.190 -15.865 -9.753 1.00 11.34 H new ATOM 0 HD2 LYS A 26 -7.252 -16.267 -10.146 1.00 44.21 H new ATOM 0 HD3 LYS A 26 -8.178 -17.681 -9.683 1.00 44.21 H new ATOM 0 HE2 LYS A 26 -9.785 -17.155 -11.579 1.00 63.15 H new ATOM 0 HE3 LYS A 26 -8.691 -15.882 -12.084 1.00 63.15 H new ATOM 0 HZ1 LYS A 26 -8.294 -17.916 -13.312 1.00 53.13 H new ATOM 0 HZ2 LYS A 26 -6.937 -17.538 -12.364 1.00 53.13 H new ATOM 0 HZ3 LYS A 26 -7.997 -18.771 -11.875 1.00 53.13 H new ATOM 396 N LYS A 27 -8.333 -11.604 -7.341 1.00 55.15 N ATOM 397 CA LYS A 27 -7.956 -10.195 -7.333 1.00 71.12 C ATOM 398 C LYS A 27 -6.754 -9.959 -6.426 1.00 1.33 C ATOM 399 O LYS A 27 -6.642 -10.564 -5.360 1.00 3.32 O ATOM 400 CB LYS A 27 -9.134 -9.333 -6.873 1.00 43.13 C ATOM 401 CG LYS A 27 -10.321 -9.370 -7.819 1.00 52.15 C ATOM 402 CD LYS A 27 -10.184 -8.338 -8.927 1.00 13.45 C ATOM 403 CE LYS A 27 -11.052 -8.688 -10.125 1.00 51.42 C ATOM 404 NZ LYS A 27 -12.319 -7.904 -10.141 1.00 1.42 N ATOM 0 H LYS A 27 -9.156 -11.823 -6.780 1.00 55.15 H new ATOM 0 HA LYS A 27 -7.682 -9.912 -8.349 1.00 71.12 H new ATOM 0 HB2 LYS A 27 -9.455 -9.668 -5.887 1.00 43.13 H new ATOM 0 HB3 LYS A 27 -8.798 -8.302 -6.765 1.00 43.13 H new ATOM 0 HG2 LYS A 27 -10.408 -10.365 -8.256 1.00 52.15 H new ATOM 0 HG3 LYS A 27 -11.239 -9.186 -7.260 1.00 52.15 H new ATOM 0 HD2 LYS A 27 -10.465 -7.356 -8.547 1.00 13.45 H new ATOM 0 HD3 LYS A 27 -9.141 -8.273 -9.238 1.00 13.45 H new ATOM 0 HE2 LYS A 27 -10.496 -8.499 -11.044 1.00 51.42 H new ATOM 0 HE3 LYS A 27 -11.284 -9.753 -10.106 1.00 51.42 H new ATOM 0 HZ1 LYS A 27 -12.882 -8.172 -10.973 1.00 1.42 H new ATOM 0 HZ2 LYS A 27 -12.862 -8.104 -9.277 1.00 1.42 H new ATOM 0 HZ3 LYS A 27 -12.098 -6.889 -10.185 1.00 1.42 H new ATOM 418 N GLN A 28 -5.859 -9.075 -6.855 1.00 23.03 N ATOM 419 CA GLN A 28 -4.665 -8.759 -6.079 1.00 33.13 C ATOM 420 C GLN A 28 -4.537 -7.254 -5.865 1.00 32.13 C ATOM 421 O GLN A 28 -5.383 -6.479 -6.313 1.00 61.12 O ATOM 422 CB GLN A 28 -3.417 -9.294 -6.782 1.00 23.23 C ATOM 423 CG GLN A 28 -3.549 -10.738 -7.241 1.00 32.14 C ATOM 424 CD GLN A 28 -3.418 -10.887 -8.744 1.00 4.11 C ATOM 425 OE1 GLN A 28 -2.623 -11.691 -9.232 1.00 12.13 O ATOM 426 NE2 GLN A 28 -4.197 -10.111 -9.487 1.00 12.23 N ATOM 0 H GLN A 28 -5.938 -8.565 -7.735 1.00 23.03 H new ATOM 0 HA GLN A 28 -4.758 -9.239 -5.105 1.00 33.13 H new ATOM 0 HB2 GLN A 28 -3.199 -8.665 -7.645 1.00 23.23 H new ATOM 0 HB3 GLN A 28 -2.566 -9.213 -6.106 1.00 23.23 H new ATOM 0 HG2 GLN A 28 -2.785 -11.342 -6.752 1.00 32.14 H new ATOM 0 HG3 GLN A 28 -4.516 -11.129 -6.924 1.00 32.14 H new ATOM 0 HE21 GLN A 28 -4.842 -9.459 -9.041 1.00 12.23 H new ATOM 0 HE22 GLN A 28 -4.151 -10.167 -10.504 1.00 12.23 H new ATOM 435 N TYR A 29 -3.476 -6.848 -5.177 1.00 52.32 N ATOM 436 CA TYR A 29 -3.239 -5.436 -4.902 1.00 0.12 C ATOM 437 C TYR A 29 -2.437 -4.789 -6.026 1.00 54.52 C ATOM 438 O TYR A 29 -1.478 -5.369 -6.535 1.00 42.20 O ATOM 439 CB TYR A 29 -2.500 -5.271 -3.572 1.00 71.14 C ATOM 440 CG TYR A 29 -3.411 -5.302 -2.365 1.00 44.22 C ATOM 441 CD1 TYR A 29 -4.290 -4.257 -2.108 1.00 44.20 C ATOM 442 CD2 TYR A 29 -3.391 -6.374 -1.483 1.00 5.45 C ATOM 443 CE1 TYR A 29 -5.123 -4.279 -1.006 1.00 71.42 C ATOM 444 CE2 TYR A 29 -4.221 -6.406 -0.379 1.00 4.50 C ATOM 445 CZ TYR A 29 -5.084 -5.357 -0.145 1.00 13.25 C ATOM 446 OH TYR A 29 -5.913 -5.384 0.954 1.00 23.34 O ATOM 0 H TYR A 29 -2.767 -7.476 -4.800 1.00 52.32 H new ATOM 0 HA TYR A 29 -4.206 -4.937 -4.837 1.00 0.12 H new ATOM 0 HB2 TYR A 29 -1.758 -6.064 -3.477 1.00 71.14 H new ATOM 0 HB3 TYR A 29 -1.957 -4.326 -3.583 1.00 71.14 H new ATOM 0 HD1 TYR A 29 -4.323 -3.413 -2.781 1.00 44.20 H new ATOM 0 HD2 TYR A 29 -2.715 -7.197 -1.663 1.00 5.45 H new ATOM 0 HE1 TYR A 29 -5.800 -3.458 -0.820 1.00 71.42 H new ATOM 0 HE2 TYR A 29 -4.194 -7.248 0.297 1.00 4.50 H new ATOM 0 HH TYR A 29 -6.211 -6.303 1.117 1.00 23.34 H new ATOM 456 N LYS A 30 -2.837 -3.581 -6.410 1.00 0.45 N ATOM 457 CA LYS A 30 -2.156 -2.850 -7.472 1.00 61.43 C ATOM 458 C LYS A 30 -1.998 -1.378 -7.106 1.00 73.20 C ATOM 459 O LYS A 30 -2.607 -0.897 -6.148 1.00 63.35 O ATOM 460 CB LYS A 30 -2.931 -2.979 -8.785 1.00 74.44 C ATOM 461 CG LYS A 30 -2.246 -3.866 -9.811 1.00 52.41 C ATOM 462 CD LYS A 30 -2.352 -3.283 -11.210 1.00 44.12 C ATOM 463 CE LYS A 30 -1.060 -2.596 -11.627 1.00 62.22 C ATOM 464 NZ LYS A 30 -1.129 -1.121 -11.434 1.00 42.43 N ATOM 0 H LYS A 30 -3.630 -3.087 -6.001 1.00 0.45 H new ATOM 0 HA LYS A 30 -1.164 -3.283 -7.598 1.00 61.43 H new ATOM 0 HB2 LYS A 30 -3.922 -3.380 -8.574 1.00 74.44 H new ATOM 0 HB3 LYS A 30 -3.073 -1.986 -9.212 1.00 74.44 H new ATOM 0 HG2 LYS A 30 -1.196 -3.988 -9.545 1.00 52.41 H new ATOM 0 HG3 LYS A 30 -2.696 -4.858 -9.794 1.00 52.41 H new ATOM 0 HD2 LYS A 30 -2.589 -4.076 -11.919 1.00 44.12 H new ATOM 0 HD3 LYS A 30 -3.174 -2.568 -11.246 1.00 44.12 H new ATOM 0 HE2 LYS A 30 -0.230 -3.000 -11.047 1.00 62.22 H new ATOM 0 HE3 LYS A 30 -0.853 -2.816 -12.674 1.00 62.22 H new ATOM 0 HZ1 LYS A 30 -0.180 -0.711 -11.549 1.00 42.43 H new ATOM 0 HZ2 LYS A 30 -1.773 -0.708 -12.139 1.00 42.43 H new ATOM 0 HZ3 LYS A 30 -1.482 -0.912 -10.478 1.00 42.43 H new ATOM 478 N LEU A 31 -1.179 -0.667 -7.873 1.00 41.41 N ATOM 479 CA LEU A 31 -0.942 0.751 -7.629 1.00 41.54 C ATOM 480 C LEU A 31 -2.257 1.494 -7.414 1.00 14.35 C ATOM 481 O LEU A 31 -2.319 2.461 -6.654 1.00 31.11 O ATOM 482 CB LEU A 31 -0.182 1.371 -8.804 1.00 24.54 C ATOM 483 CG LEU A 31 1.176 1.990 -8.472 1.00 1.10 C ATOM 484 CD1 LEU A 31 2.270 0.934 -8.512 1.00 21.15 C ATOM 485 CD2 LEU A 31 1.494 3.126 -9.433 1.00 42.24 C ATOM 0 H LEU A 31 -0.668 -1.049 -8.669 1.00 41.41 H new ATOM 0 HA LEU A 31 -0.341 0.842 -6.724 1.00 41.54 H new ATOM 0 HB2 LEU A 31 -0.033 0.601 -9.561 1.00 24.54 H new ATOM 0 HB3 LEU A 31 -0.810 2.141 -9.252 1.00 24.54 H new ATOM 0 HG LEU A 31 1.130 2.397 -7.462 1.00 1.10 H new ATOM 0 HD11 LEU A 31 3.229 1.394 -8.273 1.00 21.15 H new ATOM 0 HD12 LEU A 31 2.050 0.154 -7.783 1.00 21.15 H new ATOM 0 HD13 LEU A 31 2.316 0.496 -9.509 1.00 21.15 H new ATOM 0 HD21 LEU A 31 2.464 3.555 -9.181 1.00 42.24 H new ATOM 0 HD22 LEU A 31 1.520 2.743 -10.453 1.00 42.24 H new ATOM 0 HD23 LEU A 31 0.726 3.895 -9.354 1.00 42.24 H new ATOM 497 N LYS A 32 -3.307 1.034 -8.084 1.00 55.45 N ATOM 498 CA LYS A 32 -4.623 1.651 -7.964 1.00 52.43 C ATOM 499 C LYS A 32 -4.974 1.903 -6.501 1.00 41.13 C ATOM 500 O LYS A 32 -5.598 2.911 -6.167 1.00 11.10 O ATOM 501 CB LYS A 32 -5.688 0.761 -8.610 1.00 22.52 C ATOM 502 CG LYS A 32 -6.804 1.539 -9.285 1.00 43.11 C ATOM 503 CD LYS A 32 -8.126 0.795 -9.212 1.00 14.01 C ATOM 504 CE LYS A 32 -8.830 0.773 -10.560 1.00 42.52 C ATOM 505 NZ LYS A 32 -9.824 1.876 -10.683 1.00 63.33 N ATOM 0 H LYS A 32 -3.273 0.235 -8.717 1.00 55.45 H new ATOM 0 HA LYS A 32 -4.596 2.609 -8.483 1.00 52.43 H new ATOM 0 HB2 LYS A 32 -5.211 0.114 -9.346 1.00 22.52 H new ATOM 0 HB3 LYS A 32 -6.119 0.112 -7.847 1.00 22.52 H new ATOM 0 HG2 LYS A 32 -6.908 2.514 -8.810 1.00 43.11 H new ATOM 0 HG3 LYS A 32 -6.544 1.719 -10.328 1.00 43.11 H new ATOM 0 HD2 LYS A 32 -7.951 -0.227 -8.875 1.00 14.01 H new ATOM 0 HD3 LYS A 32 -8.771 1.269 -8.472 1.00 14.01 H new ATOM 0 HE2 LYS A 32 -8.092 0.859 -11.357 1.00 42.52 H new ATOM 0 HE3 LYS A 32 -9.332 -0.185 -10.692 1.00 42.52 H new ATOM 0 HZ1 LYS A 32 -10.283 1.828 -11.615 1.00 63.33 H new ATOM 0 HZ2 LYS A 32 -10.543 1.780 -9.938 1.00 63.33 H new ATOM 0 HZ3 LYS A 32 -9.341 2.791 -10.582 1.00 63.33 H new ATOM 519 N HIS A 33 -4.569 0.982 -5.633 1.00 61.40 N ATOM 520 CA HIS A 33 -4.839 1.104 -4.205 1.00 40.53 C ATOM 521 C HIS A 33 -3.801 1.997 -3.532 1.00 11.12 C ATOM 522 O HIS A 33 -4.195 2.750 -2.639 1.00 73.45 O ATOM 523 CB HIS A 33 -4.848 -0.275 -3.545 1.00 62.02 C ATOM 524 CG HIS A 33 -5.678 -1.284 -4.277 1.00 31.03 C ATOM 525 ND1 HIS A 33 -5.143 -2.393 -4.897 1.00 4.24 N ATOM 526 CD2 HIS A 33 -7.014 -1.348 -4.485 1.00 21.22 C ATOM 527 CE1 HIS A 33 -6.113 -3.094 -5.456 1.00 24.43 C ATOM 528 NE2 HIS A 33 -7.259 -2.481 -5.219 1.00 22.34 N ATOM 0 H HIS A 33 -4.052 0.142 -5.894 1.00 61.40 H new ATOM 0 HA HIS A 33 -5.821 1.561 -4.084 1.00 40.53 H new ATOM 0 HB2 HIS A 33 -3.824 -0.642 -3.474 1.00 62.02 H new ATOM 0 HB3 HIS A 33 -5.223 -0.179 -2.526 1.00 62.02 H new ATOM 0 HD2 HIS A 33 -7.751 -0.639 -4.138 1.00 21.22 H new ATOM 0 HE1 HIS A 33 -5.990 -4.012 -6.012 1.00 24.43 H new ATOM 0 HE2 HIS A 33 -8.177 -2.798 -5.531 1.00 22.34 H new ATOM 536 N ILE A 34 -2.531 1.936 -3.919 1.00 55.20 N ATOM 537 CA ILE A 34 -1.505 2.771 -3.306 1.00 72.44 C ATOM 538 C ILE A 34 -1.774 4.249 -3.561 1.00 50.43 C ATOM 539 O ILE A 34 -1.438 5.103 -2.740 1.00 43.33 O ATOM 540 CB ILE A 34 -0.103 2.417 -3.834 1.00 65.14 C ATOM 541 CG1 ILE A 34 0.133 0.907 -3.751 1.00 33.12 C ATOM 542 CG2 ILE A 34 0.963 3.169 -3.052 1.00 21.22 C ATOM 543 CD1 ILE A 34 1.532 0.490 -4.147 1.00 53.44 C ATOM 0 H ILE A 34 -2.188 1.317 -4.654 1.00 55.20 H new ATOM 0 HA ILE A 34 -1.540 2.578 -2.234 1.00 72.44 H new ATOM 0 HB ILE A 34 -0.039 2.718 -4.880 1.00 65.14 H new ATOM 0 HG12 ILE A 34 -0.062 0.573 -2.732 1.00 33.12 H new ATOM 0 HG13 ILE A 34 -0.585 0.400 -4.396 1.00 33.12 H new ATOM 0 HG21 ILE A 34 1.949 2.908 -3.437 1.00 21.22 H new ATOM 0 HG22 ILE A 34 0.804 4.242 -3.159 1.00 21.22 H new ATOM 0 HG23 ILE A 34 0.901 2.897 -1.998 1.00 21.22 H new ATOM 0 HD11 ILE A 34 1.626 -0.593 -4.064 1.00 53.44 H new ATOM 0 HD12 ILE A 34 1.724 0.793 -5.176 1.00 53.44 H new ATOM 0 HD13 ILE A 34 2.255 0.969 -3.487 1.00 53.44 H new ATOM 555 N VAL A 35 -2.385 4.547 -4.704 1.00 35.52 N ATOM 556 CA VAL A 35 -2.703 5.922 -5.065 1.00 44.14 C ATOM 557 C VAL A 35 -3.973 6.396 -4.367 1.00 61.35 C ATOM 558 O VAL A 35 -4.006 7.480 -3.786 1.00 71.13 O ATOM 559 CB VAL A 35 -2.881 6.075 -6.588 1.00 2.42 C ATOM 560 CG1 VAL A 35 -3.321 7.489 -6.936 1.00 14.25 C ATOM 561 CG2 VAL A 35 -1.592 5.717 -7.313 1.00 31.21 C ATOM 0 H VAL A 35 -2.669 3.853 -5.396 1.00 35.52 H new ATOM 0 HA VAL A 35 -1.863 6.536 -4.740 1.00 44.14 H new ATOM 0 HB VAL A 35 -3.660 5.387 -6.916 1.00 2.42 H new ATOM 0 HG11 VAL A 35 -3.441 7.577 -8.016 1.00 14.25 H new ATOM 0 HG12 VAL A 35 -4.270 7.706 -6.446 1.00 14.25 H new ATOM 0 HG13 VAL A 35 -2.567 8.199 -6.596 1.00 14.25 H new ATOM 0 HG21 VAL A 35 -1.735 5.830 -8.388 1.00 31.21 H new ATOM 0 HG22 VAL A 35 -0.792 6.379 -6.982 1.00 31.21 H new ATOM 0 HG23 VAL A 35 -1.324 4.684 -7.090 1.00 31.21 H new ATOM 571 N TRP A 36 -5.015 5.575 -4.427 1.00 74.34 N ATOM 572 CA TRP A 36 -6.288 5.909 -3.800 1.00 30.22 C ATOM 573 C TRP A 36 -6.098 6.231 -2.322 1.00 53.40 C ATOM 574 O TRP A 36 -6.720 7.153 -1.794 1.00 1.44 O ATOM 575 CB TRP A 36 -7.277 4.754 -3.959 1.00 75.00 C ATOM 576 CG TRP A 36 -8.583 4.989 -3.259 1.00 64.31 C ATOM 577 CD1 TRP A 36 -9.600 5.800 -3.673 1.00 1.43 C ATOM 578 CD2 TRP A 36 -9.009 4.407 -2.023 1.00 30.23 C ATOM 579 NE1 TRP A 36 -10.632 5.759 -2.768 1.00 33.22 N ATOM 580 CE2 TRP A 36 -10.295 4.910 -1.747 1.00 70.00 C ATOM 581 CE3 TRP A 36 -8.431 3.508 -1.123 1.00 64.34 C ATOM 582 CZ2 TRP A 36 -11.009 4.544 -0.609 1.00 42.33 C ATOM 583 CZ3 TRP A 36 -9.140 3.146 0.006 1.00 31.34 C ATOM 584 CH2 TRP A 36 -10.418 3.662 0.255 1.00 42.43 C ATOM 0 H TRP A 36 -5.003 4.673 -4.904 1.00 74.34 H new ATOM 0 HA TRP A 36 -6.689 6.792 -4.297 1.00 30.22 H new ATOM 0 HB2 TRP A 36 -7.466 4.590 -5.020 1.00 75.00 H new ATOM 0 HB3 TRP A 36 -6.824 3.841 -3.571 1.00 75.00 H new ATOM 0 HD1 TRP A 36 -9.594 6.388 -4.579 1.00 1.43 H new ATOM 0 HE1 TRP A 36 -11.508 6.277 -2.844 1.00 33.22 H new ATOM 0 HE3 TRP A 36 -7.447 3.103 -1.307 1.00 64.34 H new ATOM 0 HZ2 TRP A 36 -11.994 4.942 -0.415 1.00 42.33 H new ATOM 0 HZ3 TRP A 36 -8.701 2.453 0.709 1.00 31.34 H new ATOM 0 HH2 TRP A 36 -10.947 3.358 1.146 1.00 42.43 H new ATOM 595 N ALA A 37 -5.235 5.467 -1.660 1.00 14.14 N ATOM 596 CA ALA A 37 -4.963 5.674 -0.243 1.00 41.21 C ATOM 597 C ALA A 37 -4.203 6.977 -0.014 1.00 62.32 C ATOM 598 O ALA A 37 -4.619 7.817 0.783 1.00 50.15 O ATOM 599 CB ALA A 37 -4.179 4.498 0.322 1.00 54.05 C ATOM 0 H ALA A 37 -4.713 4.699 -2.082 1.00 14.14 H new ATOM 0 HA ALA A 37 -5.918 5.744 0.278 1.00 41.21 H new ATOM 0 HB1 ALA A 37 -3.983 4.666 1.381 1.00 54.05 H new ATOM 0 HB2 ALA A 37 -4.758 3.583 0.201 1.00 54.05 H new ATOM 0 HB3 ALA A 37 -3.233 4.402 -0.211 1.00 54.05 H new ATOM 605 N SER A 38 -3.087 7.136 -0.718 1.00 5.03 N ATOM 606 CA SER A 38 -2.265 8.334 -0.589 1.00 35.03 C ATOM 607 C SER A 38 -3.097 9.590 -0.830 1.00 5.44 C ATOM 608 O SER A 38 -2.897 10.614 -0.175 1.00 53.21 O ATOM 609 CB SER A 38 -1.096 8.286 -1.573 1.00 40.34 C ATOM 610 OG SER A 38 -1.096 9.421 -2.422 1.00 12.42 O ATOM 0 H SER A 38 -2.731 6.450 -1.384 1.00 5.03 H new ATOM 0 HA SER A 38 -1.872 8.368 0.427 1.00 35.03 H new ATOM 0 HB2 SER A 38 -0.156 8.239 -1.023 1.00 40.34 H new ATOM 0 HB3 SER A 38 -1.159 7.379 -2.174 1.00 40.34 H new ATOM 0 HG SER A 38 -0.564 9.231 -3.223 1.00 12.42 H new ATOM 616 N ARG A 39 -4.029 9.504 -1.772 1.00 64.02 N ATOM 617 CA ARG A 39 -4.890 10.633 -2.101 1.00 72.11 C ATOM 618 C ARG A 39 -5.998 10.792 -1.064 1.00 51.43 C ATOM 619 O ARG A 39 -6.238 11.890 -0.563 1.00 40.31 O ATOM 620 CB ARG A 39 -5.502 10.448 -3.491 1.00 51.24 C ATOM 621 CG ARG A 39 -4.535 10.745 -4.626 1.00 53.33 C ATOM 622 CD ARG A 39 -4.332 12.241 -4.808 1.00 15.44 C ATOM 623 NE ARG A 39 -3.436 12.542 -5.920 1.00 63.31 N ATOM 624 CZ ARG A 39 -3.313 13.750 -6.460 1.00 30.34 C ATOM 625 NH1 ARG A 39 -4.026 14.764 -5.992 1.00 15.03 N ATOM 626 NH2 ARG A 39 -2.475 13.943 -7.471 1.00 23.11 N ATOM 0 H ARG A 39 -4.208 8.663 -2.322 1.00 64.02 H new ATOM 0 HA ARG A 39 -4.279 11.536 -2.097 1.00 72.11 H new ATOM 0 HB2 ARG A 39 -5.859 9.423 -3.588 1.00 51.24 H new ATOM 0 HB3 ARG A 39 -6.371 11.099 -3.586 1.00 51.24 H new ATOM 0 HG2 ARG A 39 -3.576 10.269 -4.422 1.00 53.33 H new ATOM 0 HG3 ARG A 39 -4.915 10.313 -5.552 1.00 53.33 H new ATOM 0 HD2 ARG A 39 -5.296 12.719 -4.980 1.00 15.44 H new ATOM 0 HD3 ARG A 39 -3.925 12.666 -3.890 1.00 15.44 H new ATOM 0 HE ARG A 39 -2.873 11.783 -6.304 1.00 63.31 H new ATOM 0 HH11 ARG A 39 -4.671 14.618 -5.215 1.00 15.03 H new ATOM 0 HH12 ARG A 39 -3.930 15.690 -6.408 1.00 15.03 H new ATOM 0 HH21 ARG A 39 -1.925 13.164 -7.834 1.00 23.11 H new ATOM 0 HH22 ARG A 39 -2.381 14.870 -7.885 1.00 23.11 H new ATOM 640 N GLU A 40 -6.669 9.689 -0.748 1.00 1.04 N ATOM 641 CA GLU A 40 -7.752 9.708 0.229 1.00 41.14 C ATOM 642 C GLU A 40 -7.303 10.375 1.526 1.00 24.42 C ATOM 643 O GLU A 40 -7.965 11.279 2.034 1.00 55.33 O ATOM 644 CB GLU A 40 -8.235 8.284 0.514 1.00 13.11 C ATOM 645 CG GLU A 40 -9.510 8.229 1.339 1.00 74.30 C ATOM 646 CD GLU A 40 -9.238 8.132 2.828 1.00 73.24 C ATOM 647 OE1 GLU A 40 -8.068 8.305 3.229 1.00 51.44 O ATOM 648 OE2 GLU A 40 -10.194 7.883 3.591 1.00 55.50 O ATOM 0 H GLU A 40 -6.482 8.772 -1.154 1.00 1.04 H new ATOM 0 HA GLU A 40 -8.576 10.286 -0.189 1.00 41.14 H new ATOM 0 HB2 GLU A 40 -8.402 7.769 -0.432 1.00 13.11 H new ATOM 0 HB3 GLU A 40 -7.449 7.740 1.038 1.00 13.11 H new ATOM 0 HG2 GLU A 40 -10.106 9.120 1.140 1.00 74.30 H new ATOM 0 HG3 GLU A 40 -10.104 7.371 1.025 1.00 74.30 H new ATOM 655 N LEU A 41 -6.174 9.920 2.057 1.00 25.22 N ATOM 656 CA LEU A 41 -5.634 10.471 3.296 1.00 34.30 C ATOM 657 C LEU A 41 -5.555 11.992 3.226 1.00 11.43 C ATOM 658 O LEU A 41 -5.769 12.681 4.224 1.00 72.32 O ATOM 659 CB LEU A 41 -4.247 9.889 3.576 1.00 14.20 C ATOM 660 CG LEU A 41 -4.218 8.477 4.161 1.00 0.33 C ATOM 661 CD1 LEU A 41 -2.785 8.015 4.370 1.00 2.42 C ATOM 662 CD2 LEU A 41 -4.993 8.426 5.471 1.00 52.55 C ATOM 0 H LEU A 41 -5.614 9.171 1.650 1.00 25.22 H new ATOM 0 HA LEU A 41 -6.306 10.197 4.109 1.00 34.30 H new ATOM 0 HB2 LEU A 41 -3.681 9.887 2.644 1.00 14.20 H new ATOM 0 HB3 LEU A 41 -3.727 10.556 4.263 1.00 14.20 H new ATOM 0 HG LEU A 41 -4.696 7.801 3.452 1.00 0.33 H new ATOM 0 HD11 LEU A 41 -2.785 7.008 4.787 1.00 2.42 H new ATOM 0 HD12 LEU A 41 -2.261 8.012 3.414 1.00 2.42 H new ATOM 0 HD13 LEU A 41 -2.281 8.693 5.059 1.00 2.42 H new ATOM 0 HD21 LEU A 41 -4.962 7.413 5.873 1.00 52.55 H new ATOM 0 HD22 LEU A 41 -4.544 9.115 6.187 1.00 52.55 H new ATOM 0 HD23 LEU A 41 -6.029 8.714 5.292 1.00 52.55 H new ATOM 674 N GLU A 42 -5.248 12.511 2.040 1.00 21.34 N ATOM 675 CA GLU A 42 -5.142 13.951 1.842 1.00 52.24 C ATOM 676 C GLU A 42 -6.465 14.643 2.158 1.00 30.53 C ATOM 677 O GLU A 42 -6.487 15.792 2.601 1.00 24.43 O ATOM 678 CB GLU A 42 -4.726 14.260 0.402 1.00 25.52 C ATOM 679 CG GLU A 42 -3.542 15.206 0.302 1.00 44.15 C ATOM 680 CD GLU A 42 -2.463 14.696 -0.635 1.00 73.02 C ATOM 681 OE1 GLU A 42 -2.799 13.930 -1.564 1.00 0.01 O ATOM 682 OE2 GLU A 42 -1.286 15.061 -0.441 1.00 71.54 O ATOM 0 H GLU A 42 -5.069 11.955 1.204 1.00 21.34 H new ATOM 0 HA GLU A 42 -4.381 14.330 2.524 1.00 52.24 H new ATOM 0 HB2 GLU A 42 -4.479 13.327 -0.104 1.00 25.52 H new ATOM 0 HB3 GLU A 42 -5.574 14.695 -0.127 1.00 25.52 H new ATOM 0 HG2 GLU A 42 -3.888 16.180 -0.045 1.00 44.15 H new ATOM 0 HG3 GLU A 42 -3.116 15.354 1.294 1.00 44.15 H new ATOM 689 N ARG A 43 -7.566 13.936 1.927 1.00 20.21 N ATOM 690 CA ARG A 43 -8.893 14.481 2.186 1.00 11.32 C ATOM 691 C ARG A 43 -9.269 14.322 3.657 1.00 42.30 C ATOM 692 O ARG A 43 -10.148 15.020 4.162 1.00 3.12 O ATOM 693 CB ARG A 43 -9.934 13.787 1.306 1.00 60.11 C ATOM 694 CG ARG A 43 -11.018 14.721 0.793 1.00 31.11 C ATOM 695 CD ARG A 43 -12.394 14.079 0.881 1.00 45.52 C ATOM 696 NE ARG A 43 -13.226 14.407 -0.274 1.00 3.31 N ATOM 697 CZ ARG A 43 -14.520 14.117 -0.355 1.00 24.24 C ATOM 698 NH1 ARG A 43 -15.126 13.495 0.647 1.00 32.22 N ATOM 699 NH2 ARG A 43 -15.208 14.447 -1.439 1.00 15.20 N ATOM 0 H ARG A 43 -7.565 12.984 1.561 1.00 20.21 H new ATOM 0 HA ARG A 43 -8.874 15.544 1.946 1.00 11.32 H new ATOM 0 HB2 ARG A 43 -9.430 13.327 0.456 1.00 60.11 H new ATOM 0 HB3 ARG A 43 -10.399 12.982 1.875 1.00 60.11 H new ATOM 0 HG2 ARG A 43 -11.008 15.644 1.372 1.00 31.11 H new ATOM 0 HG3 ARG A 43 -10.807 14.992 -0.242 1.00 31.11 H new ATOM 0 HD2 ARG A 43 -12.285 12.997 0.954 1.00 45.52 H new ATOM 0 HD3 ARG A 43 -12.891 14.411 1.792 1.00 45.52 H new ATOM 0 HE ARG A 43 -12.789 14.885 -1.062 1.00 3.31 H new ATOM 0 HH11 ARG A 43 -14.599 13.238 1.482 1.00 32.22 H new ATOM 0 HH12 ARG A 43 -16.120 13.273 0.583 1.00 32.22 H new ATOM 0 HH21 ARG A 43 -14.744 14.924 -2.212 1.00 15.20 H new ATOM 0 HH22 ARG A 43 -16.201 14.224 -1.500 1.00 15.20 H new ATOM 713 N PHE A 44 -8.597 13.401 4.337 1.00 25.35 N ATOM 714 CA PHE A 44 -8.861 13.149 5.750 1.00 30.12 C ATOM 715 C PHE A 44 -7.866 13.899 6.631 1.00 14.21 C ATOM 716 O PHE A 44 -7.467 13.413 7.688 1.00 35.31 O ATOM 717 CB PHE A 44 -8.790 11.649 6.045 1.00 74.11 C ATOM 718 CG PHE A 44 -10.060 10.914 5.722 1.00 51.21 C ATOM 719 CD1 PHE A 44 -10.586 10.942 4.440 1.00 43.00 C ATOM 720 CD2 PHE A 44 -10.729 10.197 6.702 1.00 61.15 C ATOM 721 CE1 PHE A 44 -11.754 10.267 4.140 1.00 62.40 C ATOM 722 CE2 PHE A 44 -11.897 9.520 6.406 1.00 0.34 C ATOM 723 CZ PHE A 44 -12.411 9.555 5.125 1.00 3.25 C ATOM 0 H PHE A 44 -7.865 12.816 3.934 1.00 25.35 H new ATOM 0 HA PHE A 44 -9.864 13.510 5.976 1.00 30.12 H new ATOM 0 HB2 PHE A 44 -7.971 11.213 5.473 1.00 74.11 H new ATOM 0 HB3 PHE A 44 -8.554 11.505 7.099 1.00 74.11 H new ATOM 0 HD1 PHE A 44 -10.077 11.498 3.666 1.00 43.00 H new ATOM 0 HD2 PHE A 44 -10.334 10.167 7.707 1.00 61.15 H new ATOM 0 HE1 PHE A 44 -12.153 10.296 3.137 1.00 62.40 H new ATOM 0 HE2 PHE A 44 -12.408 8.963 7.177 1.00 0.34 H new ATOM 0 HZ PHE A 44 -13.324 9.027 4.894 1.00 3.25 H new ATOM 733 N ALA A 45 -7.469 15.087 6.186 1.00 51.22 N ATOM 734 CA ALA A 45 -6.523 15.905 6.934 1.00 4.21 C ATOM 735 C ALA A 45 -5.311 15.087 7.367 1.00 72.24 C ATOM 736 O ALA A 45 -4.678 15.384 8.380 1.00 2.11 O ATOM 737 CB ALA A 45 -7.204 16.526 8.145 1.00 65.21 C ATOM 0 H ALA A 45 -7.788 15.504 5.311 1.00 51.22 H new ATOM 0 HA ALA A 45 -6.174 16.703 6.279 1.00 4.21 H new ATOM 0 HB1 ALA A 45 -6.485 17.134 8.694 1.00 65.21 H new ATOM 0 HB2 ALA A 45 -8.033 17.153 7.815 1.00 65.21 H new ATOM 0 HB3 ALA A 45 -7.582 15.736 8.794 1.00 65.21 H new ATOM 743 N VAL A 46 -4.994 14.053 6.592 1.00 3.32 N ATOM 744 CA VAL A 46 -3.857 13.192 6.896 1.00 12.12 C ATOM 745 C VAL A 46 -2.884 13.134 5.725 1.00 3.41 C ATOM 746 O VAL A 46 -3.289 13.174 4.564 1.00 52.01 O ATOM 747 CB VAL A 46 -4.314 11.761 7.241 1.00 44.43 C ATOM 748 CG1 VAL A 46 -3.112 10.855 7.457 1.00 53.42 C ATOM 749 CG2 VAL A 46 -5.212 11.771 8.468 1.00 50.23 C ATOM 0 H VAL A 46 -5.508 13.792 5.751 1.00 3.32 H new ATOM 0 HA VAL A 46 -3.354 13.624 7.761 1.00 12.12 H new ATOM 0 HB VAL A 46 -4.888 11.368 6.402 1.00 44.43 H new ATOM 0 HG11 VAL A 46 -3.454 9.849 7.700 1.00 53.42 H new ATOM 0 HG12 VAL A 46 -2.511 10.825 6.548 1.00 53.42 H new ATOM 0 HG13 VAL A 46 -2.508 11.241 8.278 1.00 53.42 H new ATOM 0 HG21 VAL A 46 -5.526 10.753 8.698 1.00 50.23 H new ATOM 0 HG22 VAL A 46 -4.665 12.182 9.316 1.00 50.23 H new ATOM 0 HG23 VAL A 46 -6.090 12.385 8.271 1.00 50.23 H new ATOM 759 N ASN A 47 -1.595 13.041 6.038 1.00 34.21 N ATOM 760 CA ASN A 47 -0.561 12.978 5.010 1.00 14.11 C ATOM 761 C ASN A 47 -0.333 11.539 4.556 1.00 1.24 C ATOM 762 O ASN A 47 -0.326 10.603 5.356 1.00 15.32 O ATOM 763 CB ASN A 47 0.746 13.572 5.537 1.00 24.12 C ATOM 764 CG ASN A 47 1.242 14.724 4.685 1.00 63.10 C ATOM 765 OD1 ASN A 47 2.248 14.605 3.984 1.00 13.22 O ATOM 766 ND2 ASN A 47 0.536 15.847 4.741 1.00 53.24 N ATOM 0 H ASN A 47 -1.242 13.008 6.994 1.00 34.21 H new ATOM 0 HA ASN A 47 -0.898 13.561 4.153 1.00 14.11 H new ATOM 0 HB2 ASN A 47 0.598 13.918 6.560 1.00 24.12 H new ATOM 0 HB3 ASN A 47 1.508 12.794 5.570 1.00 24.12 H new ATOM 0 HD21 ASN A 47 0.820 16.656 4.189 1.00 53.24 H new ATOM 0 HD22 ASN A 47 -0.291 15.900 5.336 1.00 53.24 H new ATOM 773 N PRO A 48 -0.141 11.357 3.241 1.00 14.34 N ATOM 774 CA PRO A 48 0.092 10.037 2.650 1.00 11.12 C ATOM 775 C PRO A 48 1.454 9.466 3.028 1.00 62.30 C ATOM 776 O PRO A 48 1.648 8.250 3.040 1.00 12.31 O ATOM 777 CB PRO A 48 0.023 10.305 1.144 1.00 30.44 C ATOM 778 CG PRO A 48 0.386 11.741 0.998 1.00 12.23 C ATOM 779 CD PRO A 48 -0.136 12.428 2.230 1.00 52.33 C ATOM 0 HA PRO A 48 -0.632 9.300 2.999 1.00 11.12 H new ATOM 0 HB2 PRO A 48 0.714 9.664 0.596 1.00 30.44 H new ATOM 0 HB3 PRO A 48 -0.975 10.107 0.752 1.00 30.44 H new ATOM 0 HG2 PRO A 48 1.466 11.864 0.911 1.00 12.23 H new ATOM 0 HG3 PRO A 48 -0.057 12.166 0.097 1.00 12.23 H new ATOM 0 HD2 PRO A 48 0.503 13.259 2.528 1.00 52.33 H new ATOM 0 HD3 PRO A 48 -1.135 12.835 2.071 1.00 52.33 H new ATOM 787 N GLY A 49 2.398 10.351 3.336 1.00 74.42 N ATOM 788 CA GLY A 49 3.731 9.914 3.711 1.00 53.42 C ATOM 789 C GLY A 49 3.721 8.979 4.903 1.00 12.31 C ATOM 790 O GLY A 49 4.688 8.253 5.141 1.00 11.51 O ATOM 0 H GLY A 49 2.264 11.362 3.333 1.00 74.42 H new ATOM 0 HA2 GLY A 49 4.197 9.412 2.863 1.00 53.42 H new ATOM 0 HA3 GLY A 49 4.344 10.785 3.942 1.00 53.42 H new ATOM 794 N LEU A 50 2.628 8.997 5.658 1.00 33.32 N ATOM 795 CA LEU A 50 2.497 8.145 6.835 1.00 10.42 C ATOM 796 C LEU A 50 2.582 6.671 6.452 1.00 23.25 C ATOM 797 O LEU A 50 3.105 5.852 7.209 1.00 23.44 O ATOM 798 CB LEU A 50 1.171 8.423 7.545 1.00 53.22 C ATOM 799 CG LEU A 50 1.097 9.724 8.345 1.00 63.30 C ATOM 800 CD1 LEU A 50 -0.321 9.967 8.839 1.00 2.30 C ATOM 801 CD2 LEU A 50 2.072 9.688 9.512 1.00 50.21 C ATOM 0 H LEU A 50 1.820 9.592 5.476 1.00 33.32 H new ATOM 0 HA LEU A 50 3.320 8.374 7.512 1.00 10.42 H new ATOM 0 HB2 LEU A 50 0.377 8.434 6.798 1.00 53.22 H new ATOM 0 HB3 LEU A 50 0.962 7.593 8.220 1.00 53.22 H new ATOM 0 HG LEU A 50 1.377 10.548 7.689 1.00 63.30 H new ATOM 0 HD11 LEU A 50 -0.354 10.897 9.406 1.00 2.30 H new ATOM 0 HD12 LEU A 50 -0.996 10.038 7.986 1.00 2.30 H new ATOM 0 HD13 LEU A 50 -0.630 9.141 9.479 1.00 2.30 H new ATOM 0 HD21 LEU A 50 2.006 10.622 10.070 1.00 50.21 H new ATOM 0 HD22 LEU A 50 1.823 8.854 10.169 1.00 50.21 H new ATOM 0 HD23 LEU A 50 3.087 9.562 9.135 1.00 50.21 H new ATOM 813 N LEU A 51 2.068 6.340 5.273 1.00 1.02 N ATOM 814 CA LEU A 51 2.089 4.964 4.788 1.00 0.24 C ATOM 815 C LEU A 51 3.483 4.578 4.303 1.00 13.42 C ATOM 816 O LEU A 51 3.733 3.424 3.959 1.00 54.23 O ATOM 817 CB LEU A 51 1.075 4.787 3.657 1.00 31.11 C ATOM 818 CG LEU A 51 -0.265 5.500 3.838 1.00 72.13 C ATOM 819 CD1 LEU A 51 -1.019 5.563 2.519 1.00 62.30 C ATOM 820 CD2 LEU A 51 -1.102 4.801 4.900 1.00 73.12 C ATOM 0 H LEU A 51 1.631 7.005 4.635 1.00 1.02 H new ATOM 0 HA LEU A 51 1.819 4.308 5.616 1.00 0.24 H new ATOM 0 HB2 LEU A 51 1.529 5.140 2.731 1.00 31.11 H new ATOM 0 HB3 LEU A 51 0.883 3.721 3.532 1.00 31.11 H new ATOM 0 HG LEU A 51 -0.070 6.520 4.170 1.00 72.13 H new ATOM 0 HD11 LEU A 51 -1.970 6.074 2.668 1.00 62.30 H new ATOM 0 HD12 LEU A 51 -0.425 6.109 1.786 1.00 62.30 H new ATOM 0 HD13 LEU A 51 -1.203 4.552 2.157 1.00 62.30 H new ATOM 0 HD21 LEU A 51 -2.052 5.322 5.016 1.00 73.12 H new ATOM 0 HD22 LEU A 51 -1.288 3.771 4.597 1.00 73.12 H new ATOM 0 HD23 LEU A 51 -0.566 4.809 5.849 1.00 73.12 H new ATOM 832 N GLU A 52 4.387 5.553 4.281 1.00 10.32 N ATOM 833 CA GLU A 52 5.756 5.315 3.839 1.00 70.30 C ATOM 834 C GLU A 52 6.530 4.509 4.879 1.00 65.12 C ATOM 835 O GLU A 52 7.463 3.777 4.546 1.00 2.20 O ATOM 836 CB GLU A 52 6.468 6.642 3.572 1.00 30.45 C ATOM 837 CG GLU A 52 7.664 6.515 2.645 1.00 43.13 C ATOM 838 CD GLU A 52 8.105 7.849 2.075 1.00 60.45 C ATOM 839 OE1 GLU A 52 7.517 8.882 2.460 1.00 73.34 O ATOM 840 OE2 GLU A 52 9.038 7.861 1.244 1.00 50.00 O ATOM 0 H GLU A 52 4.196 6.514 4.564 1.00 10.32 H new ATOM 0 HA GLU A 52 5.717 4.740 2.914 1.00 70.30 H new ATOM 0 HB2 GLU A 52 5.757 7.346 3.139 1.00 30.45 H new ATOM 0 HB3 GLU A 52 6.798 7.065 4.521 1.00 30.45 H new ATOM 0 HG2 GLU A 52 8.494 6.064 3.189 1.00 43.13 H new ATOM 0 HG3 GLU A 52 7.415 5.839 1.827 1.00 43.13 H new ATOM 847 N THR A 53 6.137 4.650 6.141 1.00 33.12 N ATOM 848 CA THR A 53 6.794 3.938 7.230 1.00 0.52 C ATOM 849 C THR A 53 5.815 3.024 7.958 1.00 65.22 C ATOM 850 O THR A 53 4.617 3.297 8.011 1.00 34.32 O ATOM 851 CB THR A 53 7.417 4.916 8.245 1.00 24.43 C ATOM 852 OG1 THR A 53 6.425 5.346 9.183 1.00 11.24 O ATOM 853 CG2 THR A 53 8.011 6.124 7.538 1.00 52.14 C ATOM 0 H THR A 53 5.367 5.251 6.434 1.00 33.12 H new ATOM 0 HA THR A 53 7.585 3.336 6.783 1.00 0.52 H new ATOM 0 HB THR A 53 8.216 4.396 8.774 1.00 24.43 H new ATOM 0 HG1 THR A 53 6.829 5.966 9.825 1.00 11.24 H new ATOM 0 HG21 THR A 53 8.445 6.800 8.275 1.00 52.14 H new ATOM 0 HG22 THR A 53 8.787 5.796 6.846 1.00 52.14 H new ATOM 0 HG23 THR A 53 7.228 6.644 6.986 1.00 52.14 H new ATOM 861 N SER A 54 6.335 1.936 8.518 1.00 4.44 N ATOM 862 CA SER A 54 5.507 0.978 9.241 1.00 14.05 C ATOM 863 C SER A 54 4.848 1.635 10.452 1.00 31.31 C ATOM 864 O SER A 54 3.701 1.336 10.785 1.00 40.11 O ATOM 865 CB SER A 54 6.346 -0.219 9.690 1.00 0.14 C ATOM 866 OG SER A 54 6.712 -0.102 11.055 1.00 61.35 O ATOM 0 H SER A 54 7.326 1.696 8.485 1.00 4.44 H new ATOM 0 HA SER A 54 4.725 0.630 8.566 1.00 14.05 H new ATOM 0 HB2 SER A 54 5.782 -1.140 9.539 1.00 0.14 H new ATOM 0 HB3 SER A 54 7.243 -0.290 9.075 1.00 0.14 H new ATOM 0 HG SER A 54 7.246 -0.880 11.318 1.00 61.35 H new ATOM 872 N GLU A 55 5.582 2.530 11.105 1.00 62.50 N ATOM 873 CA GLU A 55 5.071 3.227 12.278 1.00 1.42 C ATOM 874 C GLU A 55 3.856 4.078 11.918 1.00 22.21 C ATOM 875 O GLU A 55 2.860 4.095 12.641 1.00 62.43 O ATOM 876 CB GLU A 55 6.161 4.108 12.892 1.00 62.43 C ATOM 877 CG GLU A 55 7.058 3.372 13.873 1.00 64.02 C ATOM 878 CD GLU A 55 6.733 3.697 15.317 1.00 33.04 C ATOM 879 OE1 GLU A 55 5.553 3.565 15.704 1.00 4.04 O ATOM 880 OE2 GLU A 55 7.658 4.084 16.061 1.00 2.31 O ATOM 0 H GLU A 55 6.533 2.789 10.841 1.00 62.50 H new ATOM 0 HA GLU A 55 4.766 2.478 13.009 1.00 1.42 H new ATOM 0 HB2 GLU A 55 6.775 4.522 12.092 1.00 62.43 H new ATOM 0 HB3 GLU A 55 5.692 4.949 13.402 1.00 62.43 H new ATOM 0 HG2 GLU A 55 6.959 2.298 13.715 1.00 64.02 H new ATOM 0 HG3 GLU A 55 8.098 3.629 13.672 1.00 64.02 H new ATOM 887 N GLY A 56 3.948 4.786 10.796 1.00 34.42 N ATOM 888 CA GLY A 56 2.851 5.630 10.359 1.00 20.14 C ATOM 889 C GLY A 56 1.576 4.846 10.122 1.00 51.20 C ATOM 890 O GLY A 56 0.482 5.315 10.442 1.00 42.42 O ATOM 0 H GLY A 56 4.763 4.790 10.182 1.00 34.42 H new ATOM 0 HA2 GLY A 56 2.667 6.399 11.109 1.00 20.14 H new ATOM 0 HA3 GLY A 56 3.135 6.143 9.440 1.00 20.14 H new ATOM 894 N CYS A 57 1.713 3.652 9.558 1.00 33.30 N ATOM 895 CA CYS A 57 0.561 2.802 9.275 1.00 3.03 C ATOM 896 C CYS A 57 -0.201 2.475 10.556 1.00 64.24 C ATOM 897 O CYS A 57 -1.383 2.791 10.684 1.00 62.22 O ATOM 898 CB CYS A 57 1.010 1.510 8.590 1.00 43.54 C ATOM 899 SG CYS A 57 1.641 1.746 6.911 1.00 3.44 S ATOM 0 H CYS A 57 2.610 3.250 9.287 1.00 33.30 H new ATOM 0 HA CYS A 57 -0.106 3.346 8.606 1.00 3.03 H new ATOM 0 HB2 CYS A 57 1.785 1.041 9.196 1.00 43.54 H new ATOM 0 HB3 CYS A 57 0.169 0.818 8.557 1.00 43.54 H new ATOM 0 HG CYS A 57 2.799 2.334 6.961 1.00 3.44 H new ATOM 905 N ARG A 58 0.486 1.838 11.499 1.00 33.10 N ATOM 906 CA ARG A 58 -0.127 1.465 12.769 1.00 61.22 C ATOM 907 C ARG A 58 -0.895 2.640 13.368 1.00 2.01 C ATOM 908 O ARG A 58 -2.022 2.483 13.834 1.00 55.33 O ATOM 909 CB ARG A 58 0.941 0.984 13.753 1.00 14.42 C ATOM 910 CG ARG A 58 0.755 -0.458 14.196 1.00 12.50 C ATOM 911 CD ARG A 58 0.082 -0.539 15.558 1.00 74.24 C ATOM 912 NE ARG A 58 -1.341 -0.218 15.484 1.00 64.11 N ATOM 913 CZ ARG A 58 -2.194 -0.429 16.480 1.00 2.13 C ATOM 914 NH1 ARG A 58 -1.770 -0.958 17.620 1.00 71.32 N ATOM 915 NH2 ARG A 58 -3.474 -0.110 16.338 1.00 63.21 N ATOM 0 H ARG A 58 1.466 1.570 11.408 1.00 33.10 H new ATOM 0 HA ARG A 58 -0.829 0.653 12.581 1.00 61.22 H new ATOM 0 HB2 ARG A 58 1.923 1.090 13.291 1.00 14.42 H new ATOM 0 HB3 ARG A 58 0.931 1.629 14.631 1.00 14.42 H new ATOM 0 HG2 ARG A 58 0.154 -0.992 13.460 1.00 12.50 H new ATOM 0 HG3 ARG A 58 1.724 -0.955 14.237 1.00 12.50 H new ATOM 0 HD2 ARG A 58 0.207 -1.542 15.965 1.00 74.24 H new ATOM 0 HD3 ARG A 58 0.573 0.148 16.247 1.00 74.24 H new ATOM 0 HE ARG A 58 -1.699 0.190 14.621 1.00 64.11 H new ATOM 0 HH11 ARG A 58 -0.787 -1.204 17.734 1.00 71.32 H new ATOM 0 HH12 ARG A 58 -2.427 -1.119 18.383 1.00 71.32 H new ATOM 0 HH21 ARG A 58 -3.804 0.298 15.463 1.00 63.21 H new ATOM 0 HH22 ARG A 58 -4.128 -0.273 17.104 1.00 63.21 H new ATOM 929 N GLN A 59 -0.274 3.815 13.353 1.00 51.22 N ATOM 930 CA GLN A 59 -0.899 5.015 13.895 1.00 4.22 C ATOM 931 C GLN A 59 -2.221 5.306 13.194 1.00 13.00 C ATOM 932 O GLN A 59 -3.202 5.689 13.831 1.00 12.21 O ATOM 933 CB GLN A 59 0.041 6.214 13.754 1.00 20.50 C ATOM 934 CG GLN A 59 -0.047 7.196 14.911 1.00 51.23 C ATOM 935 CD GLN A 59 0.448 6.607 16.217 1.00 71.54 C ATOM 936 OE1 GLN A 59 1.650 6.427 16.414 1.00 52.12 O ATOM 937 NE2 GLN A 59 -0.479 6.301 17.117 1.00 12.23 N ATOM 0 H GLN A 59 0.661 3.961 12.972 1.00 51.22 H new ATOM 0 HA GLN A 59 -1.100 4.842 14.952 1.00 4.22 H new ATOM 0 HB2 GLN A 59 1.066 5.853 13.672 1.00 20.50 H new ATOM 0 HB3 GLN A 59 -0.188 6.738 12.826 1.00 20.50 H new ATOM 0 HG2 GLN A 59 0.538 8.085 14.673 1.00 51.23 H new ATOM 0 HG3 GLN A 59 -1.081 7.518 15.031 1.00 51.23 H new ATOM 0 HE21 GLN A 59 -1.464 6.467 16.911 1.00 12.23 H new ATOM 0 HE22 GLN A 59 -0.206 5.900 18.014 1.00 12.23 H new ATOM 946 N ILE A 60 -2.240 5.121 11.878 1.00 42.52 N ATOM 947 CA ILE A 60 -3.442 5.364 11.090 1.00 14.05 C ATOM 948 C ILE A 60 -4.497 4.294 11.354 1.00 4.42 C ATOM 949 O ILE A 60 -5.653 4.605 11.643 1.00 31.22 O ATOM 950 CB ILE A 60 -3.130 5.399 9.583 1.00 41.12 C ATOM 951 CG1 ILE A 60 -2.084 6.475 9.282 1.00 1.11 C ATOM 952 CG2 ILE A 60 -4.400 5.650 8.784 1.00 53.22 C ATOM 953 CD1 ILE A 60 -1.259 6.187 8.047 1.00 21.54 C ATOM 0 H ILE A 60 -1.437 4.804 11.335 1.00 42.52 H new ATOM 0 HA ILE A 60 -3.828 6.336 11.395 1.00 14.05 H new ATOM 0 HB ILE A 60 -2.725 4.431 9.289 1.00 41.12 H new ATOM 0 HG12 ILE A 60 -2.587 7.434 9.158 1.00 1.11 H new ATOM 0 HG13 ILE A 60 -1.418 6.573 10.139 1.00 1.11 H new ATOM 0 HG21 ILE A 60 -4.162 5.672 7.720 1.00 53.22 H new ATOM 0 HG22 ILE A 60 -5.116 4.852 8.979 1.00 53.22 H new ATOM 0 HG23 ILE A 60 -4.832 6.606 9.079 1.00 53.22 H new ATOM 0 HD11 ILE A 60 -0.539 6.991 7.895 1.00 21.54 H new ATOM 0 HD12 ILE A 60 -0.728 5.244 8.176 1.00 21.54 H new ATOM 0 HD13 ILE A 60 -1.915 6.119 7.179 1.00 21.54 H new ATOM 965 N LEU A 61 -4.090 3.033 11.255 1.00 51.12 N ATOM 966 CA LEU A 61 -5.000 1.916 11.485 1.00 1.20 C ATOM 967 C LEU A 61 -5.665 2.028 12.853 1.00 65.42 C ATOM 968 O LEU A 61 -6.833 1.679 13.018 1.00 65.34 O ATOM 969 CB LEU A 61 -4.246 0.589 11.377 1.00 3.12 C ATOM 970 CG LEU A 61 -3.725 0.223 9.986 1.00 1.34 C ATOM 971 CD1 LEU A 61 -2.531 -0.713 10.094 1.00 53.14 C ATOM 972 CD2 LEU A 61 -4.829 -0.410 9.153 1.00 51.52 C ATOM 0 H LEU A 61 -3.137 2.759 11.017 1.00 51.12 H new ATOM 0 HA LEU A 61 -5.777 1.948 10.721 1.00 1.20 H new ATOM 0 HB2 LEU A 61 -3.400 0.618 12.064 1.00 3.12 H new ATOM 0 HB3 LEU A 61 -4.906 -0.209 11.717 1.00 3.12 H new ATOM 0 HG LEU A 61 -3.401 1.136 9.487 1.00 1.34 H new ATOM 0 HD11 LEU A 61 -2.173 -0.963 9.095 1.00 53.14 H new ATOM 0 HD12 LEU A 61 -1.734 -0.223 10.653 1.00 53.14 H new ATOM 0 HD13 LEU A 61 -2.829 -1.625 10.611 1.00 53.14 H new ATOM 0 HD21 LEU A 61 -4.441 -0.664 8.167 1.00 51.52 H new ATOM 0 HD22 LEU A 61 -5.184 -1.314 9.647 1.00 51.52 H new ATOM 0 HD23 LEU A 61 -5.654 0.294 9.048 1.00 51.52 H new ATOM 984 N GLY A 62 -4.911 2.517 13.833 1.00 4.24 N ATOM 985 CA GLY A 62 -5.444 2.668 15.174 1.00 50.01 C ATOM 986 C GLY A 62 -6.577 3.674 15.239 1.00 74.55 C ATOM 987 O GLY A 62 -7.511 3.514 16.023 1.00 15.21 O ATOM 0 H GLY A 62 -3.941 2.811 13.722 1.00 4.24 H new ATOM 0 HA2 GLY A 62 -5.800 1.702 15.531 1.00 50.01 H new ATOM 0 HA3 GLY A 62 -4.645 2.982 15.846 1.00 50.01 H new ATOM 991 N GLN A 63 -6.494 4.710 14.412 1.00 61.24 N ATOM 992 CA GLN A 63 -7.519 5.746 14.380 1.00 74.11 C ATOM 993 C GLN A 63 -8.819 5.207 13.791 1.00 43.24 C ATOM 994 O GLN A 63 -9.909 5.525 14.269 1.00 61.44 O ATOM 995 CB GLN A 63 -7.036 6.947 13.565 1.00 2.12 C ATOM 996 CG GLN A 63 -6.946 8.232 14.372 1.00 10.45 C ATOM 997 CD GLN A 63 -5.919 8.154 15.484 1.00 24.12 C ATOM 998 OE1 GLN A 63 -6.260 8.218 16.666 1.00 24.32 O ATOM 999 NE2 GLN A 63 -4.652 8.014 15.111 1.00 74.23 N ATOM 0 H GLN A 63 -5.727 4.855 13.755 1.00 61.24 H new ATOM 0 HA GLN A 63 -7.710 6.065 15.405 1.00 74.11 H new ATOM 0 HB2 GLN A 63 -6.055 6.721 13.146 1.00 2.12 H new ATOM 0 HB3 GLN A 63 -7.713 7.102 12.725 1.00 2.12 H new ATOM 0 HG2 GLN A 63 -6.693 9.057 13.706 1.00 10.45 H new ATOM 0 HG3 GLN A 63 -7.923 8.456 14.800 1.00 10.45 H new ATOM 0 HE21 GLN A 63 -4.414 7.965 14.120 1.00 74.23 H new ATOM 0 HE22 GLN A 63 -3.917 7.955 15.815 1.00 74.23 H new ATOM 1008 N LEU A 64 -8.697 4.392 12.749 1.00 61.53 N ATOM 1009 CA LEU A 64 -9.862 3.808 12.094 1.00 61.44 C ATOM 1010 C LEU A 64 -10.331 2.557 12.828 1.00 21.44 C ATOM 1011 O LEU A 64 -11.481 2.142 12.695 1.00 74.31 O ATOM 1012 CB LEU A 64 -9.536 3.466 10.638 1.00 2.02 C ATOM 1013 CG LEU A 64 -8.648 4.467 9.897 1.00 54.24 C ATOM 1014 CD1 LEU A 64 -8.173 3.882 8.576 1.00 40.33 C ATOM 1015 CD2 LEU A 64 -9.395 5.774 9.668 1.00 62.45 C ATOM 0 H LEU A 64 -7.803 4.121 12.340 1.00 61.53 H new ATOM 0 HA LEU A 64 -10.666 4.543 12.118 1.00 61.44 H new ATOM 0 HB2 LEU A 64 -9.049 2.491 10.615 1.00 2.02 H new ATOM 0 HB3 LEU A 64 -10.473 3.367 10.090 1.00 2.02 H new ATOM 0 HG LEU A 64 -7.773 4.675 10.513 1.00 54.24 H new ATOM 0 HD11 LEU A 64 -7.543 4.608 8.062 1.00 40.33 H new ATOM 0 HD12 LEU A 64 -7.601 2.974 8.765 1.00 40.33 H new ATOM 0 HD13 LEU A 64 -9.035 3.644 7.952 1.00 40.33 H new ATOM 0 HD21 LEU A 64 -8.749 6.475 9.140 1.00 62.45 H new ATOM 0 HD22 LEU A 64 -10.287 5.583 9.072 1.00 62.45 H new ATOM 0 HD23 LEU A 64 -9.684 6.201 10.628 1.00 62.45 H new ATOM 1027 N GLN A 65 -9.433 1.961 13.607 1.00 43.34 N ATOM 1028 CA GLN A 65 -9.755 0.758 14.364 1.00 52.03 C ATOM 1029 C GLN A 65 -11.089 0.913 15.087 1.00 30.52 C ATOM 1030 O GLN A 65 -12.031 0.149 14.873 1.00 22.02 O ATOM 1031 CB GLN A 65 -8.647 0.452 15.372 1.00 1.22 C ATOM 1032 CG GLN A 65 -9.143 -0.248 16.627 1.00 24.11 C ATOM 1033 CD GLN A 65 -8.015 -0.847 17.446 1.00 50.54 C ATOM 1034 OE1 GLN A 65 -7.318 -1.755 16.993 1.00 1.52 O ATOM 1035 NE2 GLN A 65 -7.830 -0.339 18.659 1.00 2.52 N ATOM 0 H GLN A 65 -8.476 2.293 13.730 1.00 43.34 H new ATOM 0 HA GLN A 65 -9.836 -0.072 13.663 1.00 52.03 H new ATOM 0 HB2 GLN A 65 -7.893 -0.172 14.892 1.00 1.22 H new ATOM 0 HB3 GLN A 65 -8.157 1.384 15.655 1.00 1.22 H new ATOM 0 HG2 GLN A 65 -9.695 0.464 17.241 1.00 24.11 H new ATOM 0 HG3 GLN A 65 -9.842 -1.036 16.347 1.00 24.11 H new ATOM 0 HE21 GLN A 65 -8.432 0.413 18.994 1.00 2.52 H new ATOM 0 HE22 GLN A 65 -7.086 -0.701 19.256 1.00 2.52 H new ATOM 1044 N PRO A 66 -11.173 1.923 15.966 1.00 44.11 N ATOM 1045 CA PRO A 66 -12.387 2.200 16.739 1.00 44.25 C ATOM 1046 C PRO A 66 -13.520 2.734 15.868 1.00 44.42 C ATOM 1047 O PRO A 66 -14.635 2.944 16.344 1.00 13.22 O ATOM 1048 CB PRO A 66 -11.934 3.267 17.739 1.00 34.24 C ATOM 1049 CG PRO A 66 -10.776 3.936 17.082 1.00 35.53 C ATOM 1050 CD PRO A 66 -10.090 2.871 16.272 1.00 42.22 C ATOM 0 HA PRO A 66 -12.787 1.300 17.206 1.00 44.25 H new ATOM 0 HB2 PRO A 66 -12.734 3.977 17.950 1.00 34.24 H new ATOM 0 HB3 PRO A 66 -11.645 2.820 18.691 1.00 34.24 H new ATOM 0 HG2 PRO A 66 -11.108 4.757 16.446 1.00 35.53 H new ATOM 0 HG3 PRO A 66 -10.098 4.361 17.823 1.00 35.53 H new ATOM 0 HD2 PRO A 66 -9.646 3.280 15.364 1.00 42.22 H new ATOM 0 HD3 PRO A 66 -9.286 2.395 16.833 1.00 42.22 H new ATOM 1058 N SER A 67 -13.226 2.951 14.590 1.00 64.23 N ATOM 1059 CA SER A 67 -14.218 3.463 13.653 1.00 14.01 C ATOM 1060 C SER A 67 -14.724 2.353 12.737 1.00 20.04 C ATOM 1061 O SER A 67 -15.706 2.529 12.014 1.00 64.44 O ATOM 1062 CB SER A 67 -13.625 4.598 12.818 1.00 45.14 C ATOM 1063 OG SER A 67 -14.644 5.385 12.228 1.00 52.50 O ATOM 0 H SER A 67 -12.308 2.780 14.180 1.00 64.23 H new ATOM 0 HA SER A 67 -15.060 3.847 14.229 1.00 14.01 H new ATOM 0 HB2 SER A 67 -12.995 5.226 13.448 1.00 45.14 H new ATOM 0 HB3 SER A 67 -12.984 4.184 12.039 1.00 45.14 H new ATOM 0 HG SER A 67 -15.337 4.799 11.857 1.00 52.50 H new ATOM 1069 N LEU A 68 -14.048 1.210 12.774 1.00 74.15 N ATOM 1070 CA LEU A 68 -14.427 0.070 11.947 1.00 74.42 C ATOM 1071 C LEU A 68 -15.856 -0.371 12.250 1.00 54.33 C ATOM 1072 O LEU A 68 -16.539 -0.926 11.390 1.00 40.41 O ATOM 1073 CB LEU A 68 -13.464 -1.095 12.177 1.00 25.23 C ATOM 1074 CG LEU A 68 -12.171 -1.068 11.361 1.00 60.03 C ATOM 1075 CD1 LEU A 68 -11.155 -2.042 11.937 1.00 4.13 C ATOM 1076 CD2 LEU A 68 -12.455 -1.394 9.901 1.00 3.30 C ATOM 0 H LEU A 68 -13.235 1.048 13.368 1.00 74.15 H new ATOM 0 HA LEU A 68 -14.374 0.377 10.903 1.00 74.42 H new ATOM 0 HB2 LEU A 68 -13.202 -1.120 13.235 1.00 25.23 H new ATOM 0 HB3 LEU A 68 -13.990 -2.024 11.957 1.00 25.23 H new ATOM 0 HG LEU A 68 -11.752 -0.063 11.415 1.00 60.03 H new ATOM 0 HD11 LEU A 68 -10.242 -2.009 11.343 1.00 4.13 H new ATOM 0 HD12 LEU A 68 -10.929 -1.765 12.967 1.00 4.13 H new ATOM 0 HD13 LEU A 68 -11.566 -3.051 11.915 1.00 4.13 H new ATOM 0 HD21 LEU A 68 -11.524 -1.370 9.335 1.00 3.30 H new ATOM 0 HD22 LEU A 68 -12.898 -2.387 9.829 1.00 3.30 H new ATOM 0 HD23 LEU A 68 -13.147 -0.658 9.492 1.00 3.30 H new ATOM 1088 N GLN A 69 -16.301 -0.116 13.476 1.00 34.43 N ATOM 1089 CA GLN A 69 -17.650 -0.485 13.890 1.00 74.31 C ATOM 1090 C GLN A 69 -18.695 0.209 13.023 1.00 42.23 C ATOM 1091 O GLN A 69 -19.687 -0.399 12.621 1.00 62.44 O ATOM 1092 CB GLN A 69 -17.871 -0.125 15.360 1.00 23.43 C ATOM 1093 CG GLN A 69 -19.072 -0.820 15.983 1.00 5.32 C ATOM 1094 CD GLN A 69 -19.108 -0.681 17.493 1.00 50.23 C ATOM 1095 OE1 GLN A 69 -18.917 -1.653 18.222 1.00 21.01 O ATOM 1096 NE2 GLN A 69 -19.356 0.534 17.969 1.00 45.54 N ATOM 0 H GLN A 69 -15.748 0.344 14.199 1.00 34.43 H new ATOM 0 HA GLN A 69 -17.759 -1.562 13.766 1.00 74.31 H new ATOM 0 HB2 GLN A 69 -16.977 -0.384 15.927 1.00 23.43 H new ATOM 0 HB3 GLN A 69 -18.001 0.954 15.446 1.00 23.43 H new ATOM 0 HG2 GLN A 69 -19.987 -0.404 15.562 1.00 5.32 H new ATOM 0 HG3 GLN A 69 -19.052 -1.877 15.720 1.00 5.32 H new ATOM 0 HE21 GLN A 69 -19.508 1.312 17.327 1.00 45.54 H new ATOM 0 HE22 GLN A 69 -19.394 0.689 18.976 1.00 45.54 H new ATOM 1105 N THR A 70 -18.466 1.487 12.738 1.00 13.14 N ATOM 1106 CA THR A 70 -19.389 2.265 11.920 1.00 61.23 C ATOM 1107 C THR A 70 -18.644 3.045 10.843 1.00 73.13 C ATOM 1108 O THR A 70 -18.892 4.233 10.641 1.00 22.03 O ATOM 1109 CB THR A 70 -20.208 3.248 12.777 1.00 11.11 C ATOM 1110 OG1 THR A 70 -20.344 2.741 14.109 1.00 3.23 O ATOM 1111 CG2 THR A 70 -21.586 3.475 12.172 1.00 4.24 C ATOM 0 H THR A 70 -17.649 2.005 13.061 1.00 13.14 H new ATOM 0 HA THR A 70 -20.068 1.555 11.447 1.00 61.23 H new ATOM 0 HB THR A 70 -19.679 4.201 12.804 1.00 11.11 H new ATOM 0 HG1 THR A 70 -20.865 3.373 14.648 1.00 3.23 H new ATOM 0 HG21 THR A 70 -22.146 4.173 12.794 1.00 4.24 H new ATOM 0 HG22 THR A 70 -21.479 3.888 11.169 1.00 4.24 H new ATOM 0 HG23 THR A 70 -22.121 2.527 12.119 1.00 4.24 H new ATOM 1119 N GLY A 71 -17.731 2.368 10.153 1.00 51.25 N ATOM 1120 CA GLY A 71 -16.965 3.015 9.104 1.00 51.51 C ATOM 1121 C GLY A 71 -17.528 2.745 7.723 1.00 30.31 C ATOM 1122 O GLY A 71 -17.941 1.624 7.423 1.00 50.21 O ATOM 0 H GLY A 71 -17.508 1.384 10.302 1.00 51.25 H new ATOM 0 HA2 GLY A 71 -16.948 4.090 9.282 1.00 51.51 H new ATOM 0 HA3 GLY A 71 -15.932 2.668 9.146 1.00 51.51 H new ATOM 1126 N SER A 72 -17.548 3.772 6.881 1.00 3.44 N ATOM 1127 CA SER A 72 -18.070 3.641 5.526 1.00 41.41 C ATOM 1128 C SER A 72 -17.146 2.782 4.669 1.00 41.44 C ATOM 1129 O SER A 72 -16.085 2.352 5.120 1.00 31.45 O ATOM 1130 CB SER A 72 -18.241 5.022 4.887 1.00 23.51 C ATOM 1131 OG SER A 72 -17.123 5.850 5.156 1.00 31.55 O ATOM 0 H SER A 72 -17.208 4.705 7.113 1.00 3.44 H new ATOM 0 HA SER A 72 -19.042 3.152 5.583 1.00 41.41 H new ATOM 0 HB2 SER A 72 -18.367 4.915 3.810 1.00 23.51 H new ATOM 0 HB3 SER A 72 -19.147 5.493 5.269 1.00 23.51 H new ATOM 0 HG SER A 72 -17.256 6.725 4.736 1.00 31.55 H new ATOM 1137 N GLU A 73 -17.558 2.536 3.429 1.00 15.41 N ATOM 1138 CA GLU A 73 -16.769 1.727 2.508 1.00 43.41 C ATOM 1139 C GLU A 73 -15.372 2.317 2.326 1.00 55.35 C ATOM 1140 O GLU A 73 -14.427 1.606 1.988 1.00 33.24 O ATOM 1141 CB GLU A 73 -17.471 1.625 1.153 1.00 34.32 C ATOM 1142 CG GLU A 73 -17.265 0.288 0.460 1.00 1.24 C ATOM 1143 CD GLU A 73 -18.095 0.151 -0.802 1.00 60.01 C ATOM 1144 OE1 GLU A 73 -18.339 1.179 -1.467 1.00 1.03 O ATOM 1145 OE2 GLU A 73 -18.500 -0.986 -1.123 1.00 50.24 O ATOM 0 H GLU A 73 -18.434 2.885 3.040 1.00 15.41 H new ATOM 0 HA GLU A 73 -16.671 0.729 2.934 1.00 43.41 H new ATOM 0 HB2 GLU A 73 -18.539 1.791 1.293 1.00 34.32 H new ATOM 0 HB3 GLU A 73 -17.107 2.421 0.504 1.00 34.32 H new ATOM 0 HG2 GLU A 73 -16.210 0.171 0.211 1.00 1.24 H new ATOM 0 HG3 GLU A 73 -17.522 -0.517 1.148 1.00 1.24 H new ATOM 1152 N GLU A 74 -15.254 3.622 2.551 1.00 21.01 N ATOM 1153 CA GLU A 74 -13.975 4.307 2.411 1.00 44.22 C ATOM 1154 C GLU A 74 -13.029 3.932 3.547 1.00 4.22 C ATOM 1155 O GLU A 74 -11.928 3.431 3.315 1.00 42.21 O ATOM 1156 CB GLU A 74 -14.183 5.823 2.385 1.00 44.31 C ATOM 1157 CG GLU A 74 -13.791 6.468 1.065 1.00 14.44 C ATOM 1158 CD GLU A 74 -14.599 5.941 -0.105 1.00 14.34 C ATOM 1159 OE1 GLU A 74 -15.551 5.168 0.133 1.00 23.42 O ATOM 1160 OE2 GLU A 74 -14.280 6.301 -1.257 1.00 13.34 O ATOM 0 H GLU A 74 -16.028 4.225 2.831 1.00 21.01 H new ATOM 0 HA GLU A 74 -13.526 3.993 1.469 1.00 44.22 H new ATOM 0 HB2 GLU A 74 -15.231 6.041 2.589 1.00 44.31 H new ATOM 0 HB3 GLU A 74 -13.601 6.275 3.188 1.00 44.31 H new ATOM 0 HG2 GLU A 74 -13.926 7.547 1.138 1.00 14.44 H new ATOM 0 HG3 GLU A 74 -12.732 6.291 0.879 1.00 14.44 H new ATOM 1167 N LEU A 75 -13.464 4.179 4.778 1.00 71.41 N ATOM 1168 CA LEU A 75 -12.658 3.868 5.952 1.00 2.12 C ATOM 1169 C LEU A 75 -12.283 2.390 5.980 1.00 70.43 C ATOM 1170 O LEU A 75 -11.126 2.037 6.209 1.00 32.32 O ATOM 1171 CB LEU A 75 -13.415 4.237 7.228 1.00 14.14 C ATOM 1172 CG LEU A 75 -12.641 4.082 8.538 1.00 53.23 C ATOM 1173 CD1 LEU A 75 -13.171 5.045 9.589 1.00 65.41 C ATOM 1174 CD2 LEU A 75 -12.722 2.647 9.038 1.00 62.44 C ATOM 0 H LEU A 75 -14.372 4.594 4.988 1.00 71.41 H new ATOM 0 HA LEU A 75 -11.742 4.456 5.898 1.00 2.12 H new ATOM 0 HB2 LEU A 75 -13.744 5.273 7.144 1.00 14.14 H new ATOM 0 HB3 LEU A 75 -14.312 3.621 7.285 1.00 14.14 H new ATOM 0 HG LEU A 75 -11.595 4.322 8.350 1.00 53.23 H new ATOM 0 HD11 LEU A 75 -12.608 4.920 10.514 1.00 65.41 H new ATOM 0 HD12 LEU A 75 -13.061 6.069 9.233 1.00 65.41 H new ATOM 0 HD13 LEU A 75 -14.225 4.837 9.775 1.00 65.41 H new ATOM 0 HD21 LEU A 75 -12.166 2.555 9.971 1.00 62.44 H new ATOM 0 HD22 LEU A 75 -13.765 2.380 9.209 1.00 62.44 H new ATOM 0 HD23 LEU A 75 -12.294 1.977 8.292 1.00 62.44 H new ATOM 1186 N ARG A 76 -13.269 1.530 5.742 1.00 25.01 N ATOM 1187 CA ARG A 76 -13.042 0.090 5.739 1.00 3.13 C ATOM 1188 C ARG A 76 -11.965 -0.289 4.726 1.00 22.13 C ATOM 1189 O ARG A 76 -11.091 -1.107 5.012 1.00 23.12 O ATOM 1190 CB ARG A 76 -14.341 -0.651 5.419 1.00 71.43 C ATOM 1191 CG ARG A 76 -14.946 -1.366 6.616 1.00 44.41 C ATOM 1192 CD ARG A 76 -14.849 -2.876 6.471 1.00 13.04 C ATOM 1193 NE ARG A 76 -15.910 -3.414 5.625 1.00 61.24 N ATOM 1194 CZ ARG A 76 -15.877 -4.628 5.085 1.00 5.33 C ATOM 1195 NH1 ARG A 76 -14.841 -5.425 5.306 1.00 22.23 N ATOM 1196 NH2 ARG A 76 -16.880 -5.046 4.326 1.00 50.34 N ATOM 0 H ARG A 76 -14.232 1.806 5.549 1.00 25.01 H new ATOM 0 HA ARG A 76 -12.700 -0.201 6.732 1.00 3.13 H new ATOM 0 HB2 ARG A 76 -15.068 0.060 5.026 1.00 71.43 H new ATOM 0 HB3 ARG A 76 -14.149 -1.379 4.631 1.00 71.43 H new ATOM 0 HG2 ARG A 76 -14.433 -1.053 7.525 1.00 44.41 H new ATOM 0 HG3 ARG A 76 -15.991 -1.076 6.724 1.00 44.41 H new ATOM 0 HD2 ARG A 76 -13.880 -3.138 6.047 1.00 13.04 H new ATOM 0 HD3 ARG A 76 -14.901 -3.339 7.456 1.00 13.04 H new ATOM 0 HE ARG A 76 -16.722 -2.826 5.438 1.00 61.24 H new ATOM 0 HH11 ARG A 76 -14.068 -5.107 5.891 1.00 22.23 H new ATOM 0 HH12 ARG A 76 -14.817 -6.357 4.891 1.00 22.23 H new ATOM 0 HH21 ARG A 76 -17.679 -4.436 4.155 1.00 50.34 H new ATOM 0 HH22 ARG A 76 -16.853 -5.978 3.913 1.00 50.34 H new ATOM 1210 N SER A 77 -12.035 0.312 3.542 1.00 32.25 N ATOM 1211 CA SER A 77 -11.069 0.035 2.486 1.00 61.21 C ATOM 1212 C SER A 77 -9.658 0.411 2.928 1.00 22.31 C ATOM 1213 O SER A 77 -8.700 -0.320 2.673 1.00 32.23 O ATOM 1214 CB SER A 77 -11.439 0.800 1.214 1.00 42.53 C ATOM 1215 OG SER A 77 -12.248 0.010 0.360 1.00 13.52 O ATOM 0 H SER A 77 -12.751 0.994 3.291 1.00 32.25 H new ATOM 0 HA SER A 77 -11.092 -1.035 2.277 1.00 61.21 H new ATOM 0 HB2 SER A 77 -11.969 1.715 1.478 1.00 42.53 H new ATOM 0 HB3 SER A 77 -10.532 1.097 0.688 1.00 42.53 H new ATOM 0 HG SER A 77 -13.193 0.199 0.538 1.00 13.52 H new ATOM 1221 N LEU A 78 -9.539 1.555 3.591 1.00 4.11 N ATOM 1222 CA LEU A 78 -8.244 2.031 4.069 1.00 34.44 C ATOM 1223 C LEU A 78 -7.619 1.028 5.034 1.00 53.51 C ATOM 1224 O LEU A 78 -6.490 0.578 4.832 1.00 55.33 O ATOM 1225 CB LEU A 78 -8.400 3.388 4.756 1.00 14.44 C ATOM 1226 CG LEU A 78 -7.946 4.605 3.950 1.00 62.01 C ATOM 1227 CD1 LEU A 78 -6.507 4.432 3.488 1.00 30.54 C ATOM 1228 CD2 LEU A 78 -8.865 4.830 2.759 1.00 15.55 C ATOM 0 H LEU A 78 -10.322 2.171 3.810 1.00 4.11 H new ATOM 0 HA LEU A 78 -7.584 2.140 3.209 1.00 34.44 H new ATOM 0 HB2 LEU A 78 -9.450 3.522 5.018 1.00 14.44 H new ATOM 0 HB3 LEU A 78 -7.839 3.366 5.690 1.00 14.44 H new ATOM 0 HG LEU A 78 -7.998 5.483 4.594 1.00 62.01 H new ATOM 0 HD11 LEU A 78 -6.201 5.308 2.916 1.00 30.54 H new ATOM 0 HD12 LEU A 78 -5.857 4.320 4.356 1.00 30.54 H new ATOM 0 HD13 LEU A 78 -6.431 3.544 2.861 1.00 30.54 H new ATOM 0 HD21 LEU A 78 -8.526 5.700 2.197 1.00 15.55 H new ATOM 0 HD22 LEU A 78 -8.846 3.952 2.114 1.00 15.55 H new ATOM 0 HD23 LEU A 78 -9.882 4.999 3.111 1.00 15.55 H new ATOM 1240 N TYR A 79 -8.359 0.681 6.080 1.00 33.21 N ATOM 1241 CA TYR A 79 -7.877 -0.269 7.077 1.00 42.14 C ATOM 1242 C TYR A 79 -7.374 -1.547 6.413 1.00 40.42 C ATOM 1243 O TYR A 79 -6.318 -2.069 6.766 1.00 0.22 O ATOM 1244 CB TYR A 79 -8.988 -0.602 8.074 1.00 62.24 C ATOM 1245 CG TYR A 79 -8.486 -1.243 9.347 1.00 33.43 C ATOM 1246 CD1 TYR A 79 -7.830 -0.492 10.315 1.00 21.13 C ATOM 1247 CD2 TYR A 79 -8.667 -2.601 9.583 1.00 41.53 C ATOM 1248 CE1 TYR A 79 -7.369 -1.074 11.480 1.00 24.13 C ATOM 1249 CE2 TYR A 79 -8.211 -3.191 10.745 1.00 23.55 C ATOM 1250 CZ TYR A 79 -7.562 -2.424 11.691 1.00 73.40 C ATOM 1251 OH TYR A 79 -7.105 -3.009 12.850 1.00 41.31 O ATOM 0 H TYR A 79 -9.295 1.043 6.261 1.00 33.21 H new ATOM 0 HA TYR A 79 -7.046 0.193 7.610 1.00 42.14 H new ATOM 0 HB2 TYR A 79 -9.526 0.312 8.325 1.00 62.24 H new ATOM 0 HB3 TYR A 79 -9.704 -1.272 7.597 1.00 62.24 H new ATOM 0 HD1 TYR A 79 -7.678 0.565 10.154 1.00 21.13 H new ATOM 0 HD2 TYR A 79 -9.173 -3.205 8.845 1.00 41.53 H new ATOM 0 HE1 TYR A 79 -6.860 -0.476 12.222 1.00 24.13 H new ATOM 0 HE2 TYR A 79 -8.361 -4.247 10.913 1.00 23.55 H new ATOM 0 HH TYR A 79 -7.323 -3.965 12.842 1.00 41.31 H new ATOM 1261 N ASN A 80 -8.139 -2.044 5.446 1.00 34.14 N ATOM 1262 CA ASN A 80 -7.773 -3.261 4.732 1.00 42.01 C ATOM 1263 C ASN A 80 -6.508 -3.047 3.907 1.00 21.10 C ATOM 1264 O ASN A 80 -5.780 -3.995 3.608 1.00 54.44 O ATOM 1265 CB ASN A 80 -8.919 -3.708 3.821 1.00 75.21 C ATOM 1266 CG ASN A 80 -9.836 -4.710 4.495 1.00 23.51 C ATOM 1267 OD1 ASN A 80 -9.839 -4.840 5.719 1.00 0.14 O ATOM 1268 ND2 ASN A 80 -10.619 -5.426 3.696 1.00 1.45 N ATOM 0 H ASN A 80 -9.016 -1.622 5.139 1.00 34.14 H new ATOM 0 HA ASN A 80 -7.579 -4.040 5.469 1.00 42.01 H new ATOM 0 HB2 ASN A 80 -9.499 -2.837 3.517 1.00 75.21 H new ATOM 0 HB3 ASN A 80 -8.507 -4.150 2.914 1.00 75.21 H new ATOM 0 HD21 ASN A 80 -11.256 -6.117 4.092 1.00 1.45 H new ATOM 0 HD22 ASN A 80 -10.583 -5.285 2.686 1.00 1.45 H new ATOM 1275 N THR A 81 -6.250 -1.795 3.542 1.00 11.32 N ATOM 1276 CA THR A 81 -5.073 -1.456 2.752 1.00 63.11 C ATOM 1277 C THR A 81 -3.852 -1.259 3.642 1.00 43.52 C ATOM 1278 O THR A 81 -2.903 -2.041 3.593 1.00 61.15 O ATOM 1279 CB THR A 81 -5.302 -0.178 1.923 1.00 0.45 C ATOM 1280 OG1 THR A 81 -6.533 -0.278 1.199 1.00 15.21 O ATOM 1281 CG2 THR A 81 -4.154 0.051 0.953 1.00 42.45 C ATOM 0 H THR A 81 -6.841 -0.999 3.781 1.00 11.32 H new ATOM 0 HA THR A 81 -4.895 -2.292 2.075 1.00 63.11 H new ATOM 0 HB THR A 81 -5.352 0.669 2.608 1.00 0.45 H new ATOM 0 HG1 THR A 81 -7.285 -0.240 1.826 1.00 15.21 H new ATOM 0 HG21 THR A 81 -4.338 0.959 0.379 1.00 42.45 H new ATOM 0 HG22 THR A 81 -3.223 0.156 1.510 1.00 42.45 H new ATOM 0 HG23 THR A 81 -4.077 -0.798 0.274 1.00 42.45 H new ATOM 1289 N ILE A 82 -3.881 -0.208 4.456 1.00 32.21 N ATOM 1290 CA ILE A 82 -2.776 0.090 5.358 1.00 14.20 C ATOM 1291 C ILE A 82 -2.319 -1.162 6.099 1.00 23.24 C ATOM 1292 O ILE A 82 -1.127 -1.349 6.345 1.00 1.13 O ATOM 1293 CB ILE A 82 -3.165 1.168 6.387 1.00 62.44 C ATOM 1294 CG1 ILE A 82 -3.687 2.418 5.676 1.00 75.13 C ATOM 1295 CG2 ILE A 82 -1.975 1.513 7.269 1.00 64.11 C ATOM 1296 CD1 ILE A 82 -4.972 2.956 6.265 1.00 1.43 C ATOM 0 H ILE A 82 -4.658 0.451 4.509 1.00 32.21 H new ATOM 0 HA ILE A 82 -1.958 0.465 4.743 1.00 14.20 H new ATOM 0 HB ILE A 82 -3.960 0.774 7.020 1.00 62.44 H new ATOM 0 HG12 ILE A 82 -2.924 3.195 5.718 1.00 75.13 H new ATOM 0 HG13 ILE A 82 -3.848 2.187 4.623 1.00 75.13 H new ATOM 0 HG21 ILE A 82 -2.266 2.276 7.991 1.00 64.11 H new ATOM 0 HG22 ILE A 82 -1.644 0.620 7.799 1.00 64.11 H new ATOM 0 HG23 ILE A 82 -1.161 1.891 6.650 1.00 64.11 H new ATOM 0 HD11 ILE A 82 -5.283 3.842 5.711 1.00 1.43 H new ATOM 0 HD12 ILE A 82 -5.749 2.195 6.198 1.00 1.43 H new ATOM 0 HD13 ILE A 82 -4.811 3.219 7.310 1.00 1.43 H new ATOM 1308 N ALA A 83 -3.272 -2.018 6.450 1.00 15.05 N ATOM 1309 CA ALA A 83 -2.967 -3.253 7.159 1.00 22.42 C ATOM 1310 C ALA A 83 -2.015 -4.129 6.351 1.00 63.12 C ATOM 1311 O ALA A 83 -1.080 -4.715 6.897 1.00 31.32 O ATOM 1312 CB ALA A 83 -4.248 -4.014 7.472 1.00 43.32 C ATOM 0 H ALA A 83 -4.263 -1.878 6.254 1.00 15.05 H new ATOM 0 HA ALA A 83 -2.474 -2.992 8.096 1.00 22.42 H new ATOM 0 HB1 ALA A 83 -4.004 -4.935 8.002 1.00 43.32 H new ATOM 0 HB2 ALA A 83 -4.895 -3.397 8.096 1.00 43.32 H new ATOM 0 HB3 ALA A 83 -4.764 -4.256 6.543 1.00 43.32 H new ATOM 1318 N VAL A 84 -2.258 -4.214 5.047 1.00 52.31 N ATOM 1319 CA VAL A 84 -1.422 -5.017 4.164 1.00 63.22 C ATOM 1320 C VAL A 84 -0.024 -4.422 4.039 1.00 24.14 C ATOM 1321 O VAL A 84 0.971 -5.070 4.368 1.00 20.15 O ATOM 1322 CB VAL A 84 -2.043 -5.138 2.759 1.00 13.42 C ATOM 1323 CG1 VAL A 84 -1.156 -5.979 1.854 1.00 41.34 C ATOM 1324 CG2 VAL A 84 -3.443 -5.727 2.845 1.00 1.24 C ATOM 0 H VAL A 84 -3.028 -3.736 4.579 1.00 52.31 H new ATOM 0 HA VAL A 84 -1.353 -6.009 4.610 1.00 63.22 H new ATOM 0 HB VAL A 84 -2.119 -4.140 2.327 1.00 13.42 H new ATOM 0 HG11 VAL A 84 -1.611 -6.053 0.866 1.00 41.34 H new ATOM 0 HG12 VAL A 84 -0.176 -5.510 1.768 1.00 41.34 H new ATOM 0 HG13 VAL A 84 -1.045 -6.977 2.278 1.00 41.34 H new ATOM 0 HG21 VAL A 84 -3.867 -5.805 1.844 1.00 1.24 H new ATOM 0 HG22 VAL A 84 -3.394 -6.718 3.297 1.00 1.24 H new ATOM 0 HG23 VAL A 84 -4.073 -5.080 3.456 1.00 1.24 H new ATOM 1334 N LEU A 85 0.047 -3.184 3.563 1.00 14.55 N ATOM 1335 CA LEU A 85 1.324 -2.500 3.395 1.00 11.43 C ATOM 1336 C LEU A 85 2.151 -2.571 4.675 1.00 44.23 C ATOM 1337 O LEU A 85 3.366 -2.772 4.630 1.00 12.11 O ATOM 1338 CB LEU A 85 1.094 -1.039 3.004 1.00 40.04 C ATOM 1339 CG LEU A 85 2.331 -0.140 3.014 1.00 41.51 C ATOM 1340 CD1 LEU A 85 3.175 -0.378 1.773 1.00 72.25 C ATOM 1341 CD2 LEU A 85 1.925 1.324 3.112 1.00 52.10 C ATOM 0 H LEU A 85 -0.766 -2.633 3.286 1.00 14.55 H new ATOM 0 HA LEU A 85 1.875 -3.001 2.599 1.00 11.43 H new ATOM 0 HB2 LEU A 85 0.660 -1.015 2.004 1.00 40.04 H new ATOM 0 HB3 LEU A 85 0.355 -0.614 3.683 1.00 40.04 H new ATOM 0 HG LEU A 85 2.931 -0.390 3.889 1.00 41.51 H new ATOM 0 HD11 LEU A 85 4.050 0.271 1.798 1.00 72.25 H new ATOM 0 HD12 LEU A 85 3.496 -1.419 1.745 1.00 72.25 H new ATOM 0 HD13 LEU A 85 2.585 -0.156 0.884 1.00 72.25 H new ATOM 0 HD21 LEU A 85 2.818 1.950 3.118 1.00 52.10 H new ATOM 0 HD22 LEU A 85 1.303 1.587 2.256 1.00 52.10 H new ATOM 0 HD23 LEU A 85 1.363 1.485 4.032 1.00 52.10 H new ATOM 1353 N TYR A 86 1.487 -2.407 5.814 1.00 73.55 N ATOM 1354 CA TYR A 86 2.162 -2.454 7.105 1.00 54.53 C ATOM 1355 C TYR A 86 3.070 -3.675 7.202 1.00 34.45 C ATOM 1356 O TYR A 86 4.207 -3.582 7.668 1.00 52.41 O ATOM 1357 CB TYR A 86 1.135 -2.475 8.239 1.00 22.21 C ATOM 1358 CG TYR A 86 1.739 -2.752 9.598 1.00 44.14 C ATOM 1359 CD1 TYR A 86 1.884 -4.053 10.063 1.00 3.20 C ATOM 1360 CD2 TYR A 86 2.165 -1.712 10.415 1.00 32.20 C ATOM 1361 CE1 TYR A 86 2.436 -4.310 11.304 1.00 55.13 C ATOM 1362 CE2 TYR A 86 2.719 -1.960 11.656 1.00 33.02 C ATOM 1363 CZ TYR A 86 2.851 -3.260 12.096 1.00 73.42 C ATOM 1364 OH TYR A 86 3.401 -3.511 13.332 1.00 34.32 O ATOM 0 H TYR A 86 0.482 -2.240 5.869 1.00 73.55 H new ATOM 0 HA TYR A 86 2.778 -1.560 7.198 1.00 54.53 H new ATOM 0 HB2 TYR A 86 0.619 -1.515 8.269 1.00 22.21 H new ATOM 0 HB3 TYR A 86 0.383 -3.234 8.023 1.00 22.21 H new ATOM 0 HD1 TYR A 86 1.560 -4.877 9.445 1.00 3.20 H new ATOM 0 HD2 TYR A 86 2.061 -0.692 10.074 1.00 32.20 H new ATOM 0 HE1 TYR A 86 2.542 -5.327 11.651 1.00 55.13 H new ATOM 0 HE2 TYR A 86 3.047 -1.140 12.278 1.00 33.02 H new ATOM 0 HH TYR A 86 3.642 -2.663 13.761 1.00 34.32 H new ATOM 1374 N CYS A 87 2.561 -4.819 6.760 1.00 60.22 N ATOM 1375 CA CYS A 87 3.325 -6.061 6.796 1.00 20.44 C ATOM 1376 C CYS A 87 4.447 -6.040 5.763 1.00 5.31 C ATOM 1377 O CYS A 87 5.501 -6.643 5.964 1.00 44.41 O ATOM 1378 CB CYS A 87 2.406 -7.257 6.544 1.00 74.10 C ATOM 1379 SG CYS A 87 1.661 -7.945 8.042 1.00 53.55 S ATOM 0 H CYS A 87 1.622 -4.913 6.372 1.00 60.22 H new ATOM 0 HA CYS A 87 3.770 -6.156 7.787 1.00 20.44 H new ATOM 0 HB2 CYS A 87 1.611 -6.954 5.862 1.00 74.10 H new ATOM 0 HB3 CYS A 87 2.975 -8.039 6.042 1.00 74.10 H new ATOM 0 HG CYS A 87 0.900 -8.950 7.726 1.00 53.55 H new ATOM 1385 N VAL A 88 4.212 -5.342 4.657 1.00 45.23 N ATOM 1386 CA VAL A 88 5.203 -5.242 3.591 1.00 51.11 C ATOM 1387 C VAL A 88 6.418 -4.441 4.044 1.00 33.21 C ATOM 1388 O VAL A 88 7.536 -4.674 3.583 1.00 52.54 O ATOM 1389 CB VAL A 88 4.608 -4.585 2.331 1.00 4.43 C ATOM 1390 CG1 VAL A 88 5.650 -4.511 1.226 1.00 74.53 C ATOM 1391 CG2 VAL A 88 3.376 -5.345 1.866 1.00 11.11 C ATOM 0 H VAL A 88 3.344 -4.837 4.475 1.00 45.23 H new ATOM 0 HA VAL A 88 5.512 -6.259 3.349 1.00 51.11 H new ATOM 0 HB VAL A 88 4.305 -3.568 2.580 1.00 4.43 H new ATOM 0 HG11 VAL A 88 5.212 -4.044 0.344 1.00 74.53 H new ATOM 0 HG12 VAL A 88 6.500 -3.919 1.566 1.00 74.53 H new ATOM 0 HG13 VAL A 88 5.986 -5.517 0.975 1.00 74.53 H new ATOM 0 HG21 VAL A 88 2.969 -4.867 0.975 1.00 11.11 H new ATOM 0 HG22 VAL A 88 3.650 -6.374 1.633 1.00 11.11 H new ATOM 0 HG23 VAL A 88 2.625 -5.339 2.656 1.00 11.11 H new ATOM 1401 N HIS A 89 6.192 -3.495 4.951 1.00 63.22 N ATOM 1402 CA HIS A 89 7.269 -2.658 5.469 1.00 65.24 C ATOM 1403 C HIS A 89 7.969 -3.340 6.642 1.00 14.41 C ATOM 1404 O HIS A 89 9.148 -3.049 6.841 1.00 4.22 O ATOM 1405 CB HIS A 89 6.723 -1.298 5.905 1.00 64.43 C ATOM 1406 CG HIS A 89 6.356 -0.405 4.760 1.00 3.20 C ATOM 1407 ND1 HIS A 89 7.133 -0.275 3.629 1.00 51.24 N ATOM 1408 CD2 HIS A 89 5.288 0.406 4.576 1.00 24.31 C ATOM 1409 CE1 HIS A 89 6.559 0.577 2.798 1.00 21.31 C ATOM 1410 NE2 HIS A 89 5.437 1.004 3.350 1.00 33.44 N ATOM 0 H HIS A 89 5.273 -3.289 5.342 1.00 63.22 H new ATOM 0 HA HIS A 89 7.996 -2.508 4.671 1.00 65.24 H new ATOM 0 HB2 HIS A 89 5.844 -1.452 6.531 1.00 64.43 H new ATOM 0 HB3 HIS A 89 7.469 -0.797 6.521 1.00 64.43 H new ATOM 0 HD1 HIS A 89 8.014 -0.761 3.460 1.00 51.24 H new ATOM 0 HD2 HIS A 89 4.471 0.555 5.266 1.00 24.31 H new ATOM 0 HE1 HIS A 89 6.942 0.874 1.833 1.00 21.31 H new ATOM 1419 N GLN A 90 7.298 -4.205 7.395 1.00 41.14 N ATOM 1420 CA GLN A 90 7.925 -4.878 8.526 1.00 33.32 C ATOM 1421 C GLN A 90 8.556 -6.197 8.093 1.00 45.03 C ATOM 1422 O GLN A 90 8.775 -7.090 8.911 1.00 12.22 O ATOM 1423 CB GLN A 90 6.896 -5.130 9.631 1.00 64.14 C ATOM 1424 CG GLN A 90 7.319 -4.595 10.989 1.00 45.02 C ATOM 1425 CD GLN A 90 8.556 -5.285 11.529 1.00 2.41 C ATOM 1426 OE1 GLN A 90 9.648 -4.715 11.532 1.00 42.43 O ATOM 1427 NE2 GLN A 90 8.393 -6.519 11.990 1.00 2.41 N ATOM 0 H GLN A 90 6.321 -4.456 7.243 1.00 41.14 H new ATOM 0 HA GLN A 90 8.711 -4.229 8.912 1.00 33.32 H new ATOM 0 HB2 GLN A 90 5.950 -4.669 9.347 1.00 64.14 H new ATOM 0 HB3 GLN A 90 6.717 -6.202 9.712 1.00 64.14 H new ATOM 0 HG2 GLN A 90 7.510 -3.525 10.910 1.00 45.02 H new ATOM 0 HG3 GLN A 90 6.499 -4.721 11.696 1.00 45.02 H new ATOM 0 HE21 GLN A 90 7.471 -6.954 11.969 1.00 2.41 H new ATOM 0 HE22 GLN A 90 9.190 -7.033 12.366 1.00 2.41 H new ATOM 1436 N ARG A 91 8.848 -6.312 6.802 1.00 72.14 N ATOM 1437 CA ARG A 91 9.452 -7.523 6.259 1.00 4.54 C ATOM 1438 C ARG A 91 8.570 -8.738 6.527 1.00 23.12 C ATOM 1439 O ARG A 91 9.038 -9.756 7.038 1.00 71.31 O ATOM 1440 CB ARG A 91 10.839 -7.741 6.867 1.00 24.53 C ATOM 1441 CG ARG A 91 11.796 -8.485 5.950 1.00 21.22 C ATOM 1442 CD ARG A 91 13.245 -8.240 6.340 1.00 71.34 C ATOM 1443 NE ARG A 91 13.569 -8.822 7.639 1.00 54.20 N ATOM 1444 CZ ARG A 91 14.738 -8.659 8.247 1.00 21.21 C ATOM 1445 NH1 ARG A 91 15.691 -7.936 7.675 1.00 42.33 N ATOM 1446 NH2 ARG A 91 14.957 -9.220 9.430 1.00 52.42 N ATOM 0 H ARG A 91 8.676 -5.581 6.112 1.00 72.14 H new ATOM 0 HA ARG A 91 9.550 -7.399 5.181 1.00 4.54 H new ATOM 0 HB2 ARG A 91 11.271 -6.773 7.121 1.00 24.53 H new ATOM 0 HB3 ARG A 91 10.735 -8.298 7.798 1.00 24.53 H new ATOM 0 HG2 ARG A 91 11.583 -9.553 5.990 1.00 21.22 H new ATOM 0 HG3 ARG A 91 11.636 -8.166 4.920 1.00 21.22 H new ATOM 0 HD2 ARG A 91 13.901 -8.663 5.580 1.00 71.34 H new ATOM 0 HD3 ARG A 91 13.437 -7.167 6.366 1.00 71.34 H new ATOM 0 HE ARG A 91 12.858 -9.385 8.105 1.00 54.20 H new ATOM 0 HH11 ARG A 91 15.527 -7.504 6.766 1.00 42.33 H new ATOM 0 HH12 ARG A 91 16.588 -7.812 8.144 1.00 42.33 H new ATOM 0 HH21 ARG A 91 14.227 -9.777 9.873 1.00 52.42 H new ATOM 0 HH22 ARG A 91 15.856 -9.094 9.896 1.00 52.42 H new ATOM 1460 N ILE A 92 7.293 -8.624 6.179 1.00 13.22 N ATOM 1461 CA ILE A 92 6.346 -9.713 6.382 1.00 63.25 C ATOM 1462 C ILE A 92 5.544 -9.988 5.114 1.00 50.34 C ATOM 1463 O ILE A 92 5.138 -9.061 4.412 1.00 13.31 O ATOM 1464 CB ILE A 92 5.373 -9.407 7.536 1.00 42.23 C ATOM 1465 CG1 ILE A 92 6.147 -8.982 8.785 1.00 3.31 C ATOM 1466 CG2 ILE A 92 4.504 -10.619 7.831 1.00 32.14 C ATOM 1467 CD1 ILE A 92 5.258 -8.663 9.967 1.00 51.33 C ATOM 0 H ILE A 92 6.890 -7.788 5.755 1.00 13.22 H new ATOM 0 HA ILE A 92 6.932 -10.596 6.637 1.00 63.25 H new ATOM 0 HB ILE A 92 4.724 -8.584 7.236 1.00 42.23 H new ATOM 0 HG12 ILE A 92 6.837 -9.779 9.064 1.00 3.31 H new ATOM 0 HG13 ILE A 92 6.751 -8.106 8.548 1.00 3.31 H new ATOM 0 HG21 ILE A 92 3.822 -10.387 8.649 1.00 32.14 H new ATOM 0 HG22 ILE A 92 3.930 -10.880 6.942 1.00 32.14 H new ATOM 0 HG23 ILE A 92 5.137 -11.460 8.114 1.00 32.14 H new ATOM 0 HD11 ILE A 92 5.874 -8.369 10.817 1.00 51.33 H new ATOM 0 HD12 ILE A 92 4.586 -7.846 9.706 1.00 51.33 H new ATOM 0 HD13 ILE A 92 4.673 -9.544 10.230 1.00 51.33 H new ATOM 1479 N ASP A 93 5.318 -11.265 4.829 1.00 51.54 N ATOM 1480 CA ASP A 93 4.561 -11.662 3.647 1.00 41.15 C ATOM 1481 C ASP A 93 3.257 -12.348 4.042 1.00 71.11 C ATOM 1482 O ASP A 93 3.266 -13.407 4.669 1.00 10.43 O ATOM 1483 CB ASP A 93 5.397 -12.594 2.768 1.00 0.11 C ATOM 1484 CG ASP A 93 4.890 -12.653 1.341 1.00 40.13 C ATOM 1485 OD1 ASP A 93 3.689 -12.933 1.149 1.00 54.13 O ATOM 1486 OD2 ASP A 93 5.695 -12.420 0.416 1.00 4.51 O ATOM 0 H ASP A 93 5.648 -12.043 5.400 1.00 51.54 H new ATOM 0 HA ASP A 93 4.320 -10.762 3.081 1.00 41.15 H new ATOM 0 HB2 ASP A 93 6.433 -12.256 2.769 1.00 0.11 H new ATOM 0 HB3 ASP A 93 5.388 -13.597 3.195 1.00 0.11 H new ATOM 1491 N VAL A 94 2.136 -11.737 3.670 1.00 25.51 N ATOM 1492 CA VAL A 94 0.824 -12.289 3.985 1.00 23.44 C ATOM 1493 C VAL A 94 0.145 -12.841 2.736 1.00 62.22 C ATOM 1494 O VAL A 94 0.454 -12.432 1.616 1.00 5.14 O ATOM 1495 CB VAL A 94 -0.091 -11.230 4.628 1.00 43.25 C ATOM 1496 CG1 VAL A 94 0.242 -11.059 6.102 1.00 63.41 C ATOM 1497 CG2 VAL A 94 0.028 -9.905 3.890 1.00 53.11 C ATOM 0 H VAL A 94 2.111 -10.860 3.150 1.00 25.51 H new ATOM 0 HA VAL A 94 0.984 -13.100 4.696 1.00 23.44 H new ATOM 0 HB VAL A 94 -1.123 -11.572 4.551 1.00 43.25 H new ATOM 0 HG11 VAL A 94 -0.415 -10.307 6.539 1.00 63.41 H new ATOM 0 HG12 VAL A 94 0.101 -12.008 6.619 1.00 63.41 H new ATOM 0 HG13 VAL A 94 1.279 -10.739 6.206 1.00 63.41 H new ATOM 0 HG21 VAL A 94 -0.625 -9.168 4.358 1.00 53.11 H new ATOM 0 HG22 VAL A 94 1.059 -9.555 3.934 1.00 53.11 H new ATOM 0 HG23 VAL A 94 -0.265 -10.041 2.849 1.00 53.11 H new ATOM 1507 N LYS A 95 -0.781 -13.771 2.935 1.00 32.51 N ATOM 1508 CA LYS A 95 -1.507 -14.380 1.826 1.00 5.31 C ATOM 1509 C LYS A 95 -2.646 -13.477 1.362 1.00 71.34 C ATOM 1510 O LYS A 95 -2.623 -12.956 0.247 1.00 73.54 O ATOM 1511 CB LYS A 95 -2.060 -15.745 2.239 1.00 65.24 C ATOM 1512 CG LYS A 95 -1.627 -16.878 1.323 1.00 22.35 C ATOM 1513 CD LYS A 95 -2.813 -17.710 0.867 1.00 21.03 C ATOM 1514 CE LYS A 95 -2.385 -18.814 -0.088 1.00 11.24 C ATOM 1515 NZ LYS A 95 -2.981 -20.129 0.281 1.00 1.24 N ATOM 0 H LYS A 95 -1.048 -14.121 3.855 1.00 32.51 H new ATOM 0 HA LYS A 95 -0.811 -14.513 0.998 1.00 5.31 H new ATOM 0 HB2 LYS A 95 -1.736 -15.967 3.256 1.00 65.24 H new ATOM 0 HB3 LYS A 95 -3.149 -15.697 2.255 1.00 65.24 H new ATOM 0 HG2 LYS A 95 -1.113 -16.468 0.454 1.00 22.35 H new ATOM 0 HG3 LYS A 95 -0.913 -17.516 1.844 1.00 22.35 H new ATOM 0 HD2 LYS A 95 -3.306 -18.149 1.734 1.00 21.03 H new ATOM 0 HD3 LYS A 95 -3.543 -17.066 0.377 1.00 21.03 H new ATOM 0 HE2 LYS A 95 -2.683 -18.552 -1.103 1.00 11.24 H new ATOM 0 HE3 LYS A 95 -1.298 -18.895 -0.086 1.00 11.24 H new ATOM 0 HZ1 LYS A 95 -2.665 -20.855 -0.394 1.00 1.24 H new ATOM 0 HZ2 LYS A 95 -2.676 -20.392 1.240 1.00 1.24 H new ATOM 0 HZ3 LYS A 95 -4.018 -20.060 0.255 1.00 1.24 H new ATOM 1529 N ASP A 96 -3.641 -13.298 2.225 1.00 45.44 N ATOM 1530 CA ASP A 96 -4.788 -12.456 1.903 1.00 4.14 C ATOM 1531 C ASP A 96 -4.980 -11.373 2.960 1.00 13.45 C ATOM 1532 O ASP A 96 -4.364 -11.413 4.026 1.00 54.04 O ATOM 1533 CB ASP A 96 -6.054 -13.306 1.791 1.00 75.34 C ATOM 1534 CG ASP A 96 -6.173 -14.321 2.910 1.00 23.41 C ATOM 1535 OD1 ASP A 96 -6.424 -13.908 4.062 1.00 23.40 O ATOM 1536 OD2 ASP A 96 -6.014 -15.529 2.634 1.00 34.23 O ATOM 0 H ASP A 96 -3.676 -13.724 3.151 1.00 45.44 H new ATOM 0 HA ASP A 96 -4.597 -11.973 0.945 1.00 4.14 H new ATOM 0 HB2 ASP A 96 -6.927 -12.654 1.802 1.00 75.34 H new ATOM 0 HB3 ASP A 96 -6.056 -13.825 0.832 1.00 75.34 H new ATOM 1541 N THR A 97 -5.838 -10.403 2.658 1.00 60.12 N ATOM 1542 CA THR A 97 -6.110 -9.308 3.579 1.00 32.21 C ATOM 1543 C THR A 97 -6.361 -9.826 4.991 1.00 64.52 C ATOM 1544 O THR A 97 -5.799 -9.316 5.960 1.00 12.30 O ATOM 1545 CB THR A 97 -7.327 -8.480 3.125 1.00 43.21 C ATOM 1546 OG1 THR A 97 -7.062 -7.877 1.854 1.00 42.32 O ATOM 1547 CG2 THR A 97 -7.658 -7.401 4.146 1.00 53.25 C ATOM 0 H THR A 97 -6.357 -10.354 1.781 1.00 60.12 H new ATOM 0 HA THR A 97 -5.226 -8.670 3.580 1.00 32.21 H new ATOM 0 HB THR A 97 -8.183 -9.149 3.037 1.00 43.21 H new ATOM 0 HG1 THR A 97 -7.841 -7.354 1.571 1.00 42.32 H new ATOM 0 HG21 THR A 97 -8.521 -6.829 3.804 1.00 53.25 H new ATOM 0 HG22 THR A 97 -7.888 -7.866 5.105 1.00 53.25 H new ATOM 0 HG23 THR A 97 -6.803 -6.735 4.261 1.00 53.25 H new ATOM 1555 N LYS A 98 -7.206 -10.845 5.101 1.00 62.24 N ATOM 1556 CA LYS A 98 -7.530 -11.436 6.393 1.00 15.25 C ATOM 1557 C LYS A 98 -6.268 -11.904 7.109 1.00 25.32 C ATOM 1558 O LYS A 98 -6.033 -11.553 8.265 1.00 32.52 O ATOM 1559 CB LYS A 98 -8.494 -12.611 6.213 1.00 71.22 C ATOM 1560 CG LYS A 98 -8.881 -13.285 7.518 1.00 51.11 C ATOM 1561 CD LYS A 98 -10.378 -13.541 7.591 1.00 43.14 C ATOM 1562 CE LYS A 98 -10.839 -13.752 9.024 1.00 4.11 C ATOM 1563 NZ LYS A 98 -10.405 -15.074 9.558 1.00 51.44 N ATOM 0 H LYS A 98 -7.680 -11.279 4.309 1.00 62.24 H new ATOM 0 HA LYS A 98 -8.010 -10.671 7.004 1.00 15.25 H new ATOM 0 HB2 LYS A 98 -9.397 -12.257 5.715 1.00 71.22 H new ATOM 0 HB3 LYS A 98 -8.035 -13.349 5.555 1.00 71.22 H new ATOM 0 HG2 LYS A 98 -8.344 -14.229 7.614 1.00 51.11 H new ATOM 0 HG3 LYS A 98 -8.577 -12.658 8.356 1.00 51.11 H new ATOM 0 HD2 LYS A 98 -10.914 -12.697 7.156 1.00 43.14 H new ATOM 0 HD3 LYS A 98 -10.627 -14.419 6.995 1.00 43.14 H new ATOM 0 HE2 LYS A 98 -10.440 -12.957 9.654 1.00 4.11 H new ATOM 0 HE3 LYS A 98 -11.926 -13.681 9.070 1.00 4.11 H new ATOM 0 HZ1 LYS A 98 -10.739 -15.179 10.537 1.00 51.44 H new ATOM 0 HZ2 LYS A 98 -10.806 -15.834 8.972 1.00 51.44 H new ATOM 0 HZ3 LYS A 98 -9.367 -15.133 9.538 1.00 51.44 H new ATOM 1577 N GLU A 99 -5.458 -12.697 6.414 1.00 30.14 N ATOM 1578 CA GLU A 99 -4.220 -13.213 6.986 1.00 43.22 C ATOM 1579 C GLU A 99 -3.431 -12.099 7.668 1.00 10.34 C ATOM 1580 O GLU A 99 -2.915 -12.275 8.772 1.00 73.32 O ATOM 1581 CB GLU A 99 -3.363 -13.867 5.898 1.00 14.44 C ATOM 1582 CG GLU A 99 -3.752 -15.305 5.601 1.00 65.21 C ATOM 1583 CD GLU A 99 -3.323 -16.263 6.695 1.00 61.24 C ATOM 1584 OE1 GLU A 99 -2.156 -16.707 6.671 1.00 72.51 O ATOM 1585 OE2 GLU A 99 -4.154 -16.567 7.575 1.00 21.23 O ATOM 0 H GLU A 99 -5.637 -12.996 5.455 1.00 30.14 H new ATOM 0 HA GLU A 99 -4.480 -13.962 7.734 1.00 43.22 H new ATOM 0 HB2 GLU A 99 -3.443 -13.281 4.982 1.00 14.44 H new ATOM 0 HB3 GLU A 99 -2.317 -13.838 6.204 1.00 14.44 H new ATOM 0 HG2 GLU A 99 -4.833 -15.366 5.473 1.00 65.21 H new ATOM 0 HG3 GLU A 99 -3.301 -15.612 4.657 1.00 65.21 H new ATOM 1592 N ALA A 100 -3.341 -10.952 7.003 1.00 60.33 N ATOM 1593 CA ALA A 100 -2.616 -9.809 7.544 1.00 33.23 C ATOM 1594 C ALA A 100 -3.191 -9.384 8.892 1.00 45.41 C ATOM 1595 O ALA A 100 -2.463 -9.266 9.880 1.00 73.44 O ATOM 1596 CB ALA A 100 -2.653 -8.647 6.562 1.00 20.14 C ATOM 0 H ALA A 100 -3.762 -10.790 6.088 1.00 60.33 H new ATOM 0 HA ALA A 100 -1.579 -10.107 7.698 1.00 33.23 H new ATOM 0 HB1 ALA A 100 -2.108 -7.800 6.979 1.00 20.14 H new ATOM 0 HB2 ALA A 100 -2.190 -8.950 5.623 1.00 20.14 H new ATOM 0 HB3 ALA A 100 -3.688 -8.358 6.380 1.00 20.14 H new ATOM 1602 N LEU A 101 -4.499 -9.154 8.926 1.00 42.05 N ATOM 1603 CA LEU A 101 -5.171 -8.741 10.152 1.00 22.03 C ATOM 1604 C LEU A 101 -4.823 -9.676 11.306 1.00 33.42 C ATOM 1605 O LEU A 101 -4.310 -9.242 12.338 1.00 43.24 O ATOM 1606 CB LEU A 101 -6.687 -8.713 9.943 1.00 24.30 C ATOM 1607 CG LEU A 101 -7.333 -7.328 9.899 1.00 74.33 C ATOM 1608 CD1 LEU A 101 -7.060 -6.571 11.189 1.00 63.30 C ATOM 1609 CD2 LEU A 101 -6.828 -6.541 8.699 1.00 24.51 C ATOM 0 H LEU A 101 -5.115 -9.247 8.118 1.00 42.05 H new ATOM 0 HA LEU A 101 -4.827 -7.738 10.405 1.00 22.03 H new ATOM 0 HB2 LEU A 101 -6.914 -9.228 9.010 1.00 24.30 H new ATOM 0 HB3 LEU A 101 -7.155 -9.285 10.745 1.00 24.30 H new ATOM 0 HG LEU A 101 -8.411 -7.454 9.797 1.00 74.33 H new ATOM 0 HD11 LEU A 101 -7.527 -5.588 11.140 1.00 63.30 H new ATOM 0 HD12 LEU A 101 -7.472 -7.127 12.031 1.00 63.30 H new ATOM 0 HD13 LEU A 101 -5.984 -6.455 11.322 1.00 63.30 H new ATOM 0 HD21 LEU A 101 -7.299 -5.558 8.684 1.00 24.51 H new ATOM 0 HD22 LEU A 101 -5.747 -6.424 8.769 1.00 24.51 H new ATOM 0 HD23 LEU A 101 -7.076 -7.076 7.782 1.00 24.51 H new ATOM 1621 N ASP A 102 -5.104 -10.962 11.124 1.00 43.30 N ATOM 1622 CA ASP A 102 -4.817 -11.960 12.148 1.00 53.23 C ATOM 1623 C ASP A 102 -3.320 -12.032 12.432 1.00 62.44 C ATOM 1624 O ASP A 102 -2.893 -12.622 13.425 1.00 55.31 O ATOM 1625 CB ASP A 102 -5.334 -13.332 11.712 1.00 51.11 C ATOM 1626 CG ASP A 102 -6.256 -13.956 12.741 1.00 22.51 C ATOM 1627 OD1 ASP A 102 -5.830 -14.108 13.905 1.00 41.15 O ATOM 1628 OD2 ASP A 102 -7.403 -14.295 12.381 1.00 21.34 O ATOM 0 H ASP A 102 -5.530 -11.338 10.277 1.00 43.30 H new ATOM 0 HA ASP A 102 -5.328 -11.663 13.064 1.00 53.23 H new ATOM 0 HB2 ASP A 102 -5.865 -13.233 10.765 1.00 51.11 H new ATOM 0 HB3 ASP A 102 -4.488 -13.997 11.535 1.00 51.11 H new ATOM 1633 N LYS A 103 -2.527 -11.431 11.552 1.00 4.13 N ATOM 1634 CA LYS A 103 -1.077 -11.426 11.707 1.00 70.01 C ATOM 1635 C LYS A 103 -0.626 -10.263 12.583 1.00 14.32 C ATOM 1636 O LYS A 103 0.049 -10.460 13.594 1.00 43.11 O ATOM 1637 CB LYS A 103 -0.398 -11.341 10.339 1.00 41.25 C ATOM 1638 CG LYS A 103 0.304 -12.623 9.926 1.00 20.22 C ATOM 1639 CD LYS A 103 1.611 -12.810 10.678 1.00 61.25 C ATOM 1640 CE LYS A 103 1.516 -13.943 11.687 1.00 4.12 C ATOM 1641 NZ LYS A 103 2.660 -13.934 12.641 1.00 3.43 N ATOM 0 H LYS A 103 -2.864 -10.941 10.723 1.00 4.13 H new ATOM 0 HA LYS A 103 -0.786 -12.357 12.194 1.00 70.01 H new ATOM 0 HB2 LYS A 103 -1.146 -11.088 9.587 1.00 41.25 H new ATOM 0 HB3 LYS A 103 0.328 -10.528 10.353 1.00 41.25 H new ATOM 0 HG2 LYS A 103 -0.350 -13.474 10.115 1.00 20.22 H new ATOM 0 HG3 LYS A 103 0.500 -12.603 8.854 1.00 20.22 H new ATOM 0 HD2 LYS A 103 2.413 -13.018 9.970 1.00 61.25 H new ATOM 0 HD3 LYS A 103 1.872 -11.885 11.192 1.00 61.25 H new ATOM 0 HE2 LYS A 103 0.581 -13.859 12.241 1.00 4.12 H new ATOM 0 HE3 LYS A 103 1.490 -14.897 11.160 1.00 4.12 H new ATOM 0 HZ1 LYS A 103 2.558 -14.722 13.312 1.00 3.43 H new ATOM 0 HZ2 LYS A 103 3.551 -14.040 12.115 1.00 3.43 H new ATOM 0 HZ3 LYS A 103 2.670 -13.034 13.162 1.00 3.43 H new ATOM 1655 N ILE A 104 -1.005 -9.051 12.191 1.00 33.13 N ATOM 1656 CA ILE A 104 -0.642 -7.857 12.943 1.00 51.53 C ATOM 1657 C ILE A 104 -1.241 -7.886 14.345 1.00 22.04 C ATOM 1658 O ILE A 104 -0.647 -7.377 15.295 1.00 45.32 O ATOM 1659 CB ILE A 104 -1.108 -6.576 12.226 1.00 43.32 C ATOM 1660 CG1 ILE A 104 -0.449 -6.468 10.849 1.00 3.13 C ATOM 1661 CG2 ILE A 104 -0.790 -5.350 13.069 1.00 32.10 C ATOM 1662 CD1 ILE A 104 -1.178 -5.542 9.900 1.00 34.32 C ATOM 0 H ILE A 104 -1.563 -8.871 11.357 1.00 33.13 H new ATOM 0 HA ILE A 104 0.446 -7.849 13.015 1.00 51.53 H new ATOM 0 HB ILE A 104 -2.188 -6.627 12.089 1.00 43.32 H new ATOM 0 HG12 ILE A 104 0.575 -6.116 10.972 1.00 3.13 H new ATOM 0 HG13 ILE A 104 -0.393 -7.461 10.403 1.00 3.13 H new ATOM 0 HG21 ILE A 104 -1.126 -4.453 12.548 1.00 32.10 H new ATOM 0 HG22 ILE A 104 -1.302 -5.425 14.028 1.00 32.10 H new ATOM 0 HG23 ILE A 104 0.286 -5.292 13.235 1.00 32.10 H new ATOM 0 HD11 ILE A 104 -0.654 -5.515 8.944 1.00 34.32 H new ATOM 0 HD12 ILE A 104 -2.194 -5.905 9.747 1.00 34.32 H new ATOM 0 HD13 ILE A 104 -1.211 -4.539 10.324 1.00 34.32 H new ATOM 1674 N GLU A 105 -2.420 -8.489 14.467 1.00 52.43 N ATOM 1675 CA GLU A 105 -3.098 -8.586 15.754 1.00 50.43 C ATOM 1676 C GLU A 105 -2.283 -9.421 16.736 1.00 20.13 C ATOM 1677 O GLU A 105 -2.113 -9.043 17.895 1.00 72.32 O ATOM 1678 CB GLU A 105 -4.489 -9.198 15.577 1.00 72.22 C ATOM 1679 CG GLU A 105 -5.297 -9.255 16.863 1.00 70.31 C ATOM 1680 CD GLU A 105 -6.783 -9.068 16.627 1.00 64.33 C ATOM 1681 OE1 GLU A 105 -7.378 -9.897 15.906 1.00 44.14 O ATOM 1682 OE2 GLU A 105 -7.351 -8.093 17.162 1.00 34.12 O ATOM 0 H GLU A 105 -2.925 -8.917 13.691 1.00 52.43 H new ATOM 0 HA GLU A 105 -3.201 -7.579 16.159 1.00 50.43 H new ATOM 0 HB2 GLU A 105 -5.040 -8.618 14.837 1.00 72.22 H new ATOM 0 HB3 GLU A 105 -4.385 -10.207 15.178 1.00 72.22 H new ATOM 0 HG2 GLU A 105 -5.128 -10.215 17.351 1.00 70.31 H new ATOM 0 HG3 GLU A 105 -4.941 -8.483 17.546 1.00 70.31 H new ATOM 1689 N GLU A 106 -1.782 -10.559 16.264 1.00 52.32 N ATOM 1690 CA GLU A 106 -0.987 -11.448 17.102 1.00 4.01 C ATOM 1691 C GLU A 106 0.282 -10.751 17.584 1.00 41.43 C ATOM 1692 O GLU A 106 0.741 -10.981 18.702 1.00 45.53 O ATOM 1693 CB GLU A 106 -0.622 -12.719 16.332 1.00 41.45 C ATOM 1694 CG GLU A 106 -0.268 -13.894 17.228 1.00 43.22 C ATOM 1695 CD GLU A 106 1.157 -14.372 17.029 1.00 41.14 C ATOM 1696 OE1 GLU A 106 2.076 -13.527 17.059 1.00 44.50 O ATOM 1697 OE2 GLU A 106 1.353 -15.591 16.843 1.00 71.35 O ATOM 0 H GLU A 106 -1.913 -10.886 15.307 1.00 52.32 H new ATOM 0 HA GLU A 106 -1.586 -11.717 17.972 1.00 4.01 H new ATOM 0 HB2 GLU A 106 -1.459 -13.000 15.693 1.00 41.45 H new ATOM 0 HB3 GLU A 106 0.222 -12.506 15.676 1.00 41.45 H new ATOM 0 HG2 GLU A 106 -0.408 -13.606 18.270 1.00 43.22 H new ATOM 0 HG3 GLU A 106 -0.954 -14.717 17.029 1.00 43.22 H new ATOM 1704 N GLU A 107 0.843 -9.899 16.731 1.00 12.33 N ATOM 1705 CA GLU A 107 2.059 -9.169 17.071 1.00 52.20 C ATOM 1706 C GLU A 107 1.788 -8.137 18.162 1.00 22.44 C ATOM 1707 O GLU A 107 2.682 -7.784 18.931 1.00 65.13 O ATOM 1708 CB GLU A 107 2.627 -8.477 15.830 1.00 2.04 C ATOM 1709 CG GLU A 107 4.085 -8.071 15.974 1.00 75.01 C ATOM 1710 CD GLU A 107 4.435 -6.852 15.143 1.00 54.52 C ATOM 1711 OE1 GLU A 107 4.762 -7.021 13.950 1.00 52.30 O ATOM 1712 OE2 GLU A 107 4.382 -5.728 15.686 1.00 3.03 O ATOM 0 H GLU A 107 0.475 -9.698 15.801 1.00 12.33 H new ATOM 0 HA GLU A 107 2.789 -9.886 17.447 1.00 52.20 H new ATOM 0 HB2 GLU A 107 2.527 -9.145 14.974 1.00 2.04 H new ATOM 0 HB3 GLU A 107 2.031 -7.590 15.614 1.00 2.04 H new ATOM 0 HG2 GLU A 107 4.299 -7.865 17.023 1.00 75.01 H new ATOM 0 HG3 GLU A 107 4.722 -8.904 15.676 1.00 75.01 H new ATOM 1719 N GLN A 108 0.549 -7.660 18.223 1.00 4.11 N ATOM 1720 CA GLN A 108 0.162 -6.669 19.220 1.00 52.11 C ATOM 1721 C GLN A 108 0.013 -7.309 20.595 1.00 31.31 C ATOM 1722 O GLN A 108 0.200 -6.654 21.619 1.00 15.22 O ATOM 1723 CB GLN A 108 -1.149 -5.992 18.814 1.00 24.33 C ATOM 1724 CG GLN A 108 -1.133 -4.483 18.985 1.00 14.54 C ATOM 1725 CD GLN A 108 -1.453 -4.053 20.403 1.00 1.25 C ATOM 1726 OE1 GLN A 108 -0.605 -3.497 21.103 1.00 62.02 O ATOM 1727 NE2 GLN A 108 -2.682 -4.308 20.837 1.00 43.13 N ATOM 0 H GLN A 108 -0.203 -7.943 17.595 1.00 4.11 H new ATOM 0 HA GLN A 108 0.950 -5.918 19.274 1.00 52.11 H new ATOM 0 HB2 GLN A 108 -1.363 -6.229 17.772 1.00 24.33 H new ATOM 0 HB3 GLN A 108 -1.962 -6.408 19.409 1.00 24.33 H new ATOM 0 HG2 GLN A 108 -0.151 -4.100 18.706 1.00 14.54 H new ATOM 0 HG3 GLN A 108 -1.855 -4.036 18.302 1.00 14.54 H new ATOM 0 HE21 GLN A 108 -3.354 -4.771 20.224 1.00 43.13 H new ATOM 0 HE22 GLN A 108 -2.954 -4.041 21.783 1.00 43.13 H new ATOM 1736 N ASN A 109 -0.326 -8.595 20.611 1.00 44.15 N ATOM 1737 CA ASN A 109 -0.501 -9.324 21.861 1.00 30.11 C ATOM 1738 C ASN A 109 0.807 -9.383 22.644 1.00 3.35 C ATOM 1739 O ASN A 109 0.805 -9.453 23.874 1.00 44.22 O ATOM 1740 CB ASN A 109 -1.006 -10.741 21.584 1.00 74.05 C ATOM 1741 CG ASN A 109 -1.589 -11.401 22.818 1.00 2.43 C ATOM 1742 OD1 ASN A 109 -1.417 -10.912 23.935 1.00 31.03 O ATOM 1743 ND2 ASN A 109 -2.282 -12.515 22.622 1.00 25.51 N ATOM 0 H ASN A 109 -0.485 -9.153 19.772 1.00 44.15 H new ATOM 0 HA ASN A 109 -1.240 -8.793 22.461 1.00 30.11 H new ATOM 0 HB2 ASN A 109 -1.764 -10.707 20.802 1.00 74.05 H new ATOM 0 HB3 ASN A 109 -0.184 -11.349 21.205 1.00 74.05 H new ATOM 0 HD21 ASN A 109 -2.698 -13.003 23.415 1.00 25.51 H new ATOM 0 HD22 ASN A 109 -2.399 -12.884 21.678 1.00 25.51 H new ATOM 1750 N LYS A 110 1.924 -9.354 21.925 1.00 71.14 N ATOM 1751 CA LYS A 110 3.239 -9.403 22.550 1.00 4.21 C ATOM 1752 C LYS A 110 3.532 -8.109 23.303 1.00 12.33 C ATOM 1753 O LYS A 110 4.185 -8.121 24.346 1.00 13.24 O ATOM 1754 CB LYS A 110 4.320 -9.645 21.493 1.00 25.13 C ATOM 1755 CG LYS A 110 5.625 -10.171 22.068 1.00 54.03 C ATOM 1756 CD LYS A 110 6.359 -11.049 21.069 1.00 71.44 C ATOM 1757 CE LYS A 110 7.737 -10.493 20.747 1.00 45.33 C ATOM 1758 NZ LYS A 110 8.403 -11.257 19.654 1.00 15.34 N ATOM 0 H LYS A 110 1.944 -9.297 20.907 1.00 71.14 H new ATOM 0 HA LYS A 110 3.244 -10.228 23.263 1.00 4.21 H new ATOM 0 HB2 LYS A 110 3.944 -10.356 20.757 1.00 25.13 H new ATOM 0 HB3 LYS A 110 4.515 -8.712 20.965 1.00 25.13 H new ATOM 0 HG2 LYS A 110 6.261 -9.334 22.355 1.00 54.03 H new ATOM 0 HG3 LYS A 110 5.421 -10.741 22.974 1.00 54.03 H new ATOM 0 HD2 LYS A 110 6.457 -12.057 21.472 1.00 71.44 H new ATOM 0 HD3 LYS A 110 5.774 -11.127 20.153 1.00 71.44 H new ATOM 0 HE2 LYS A 110 7.647 -9.446 20.456 1.00 45.33 H new ATOM 0 HE3 LYS A 110 8.359 -10.523 21.642 1.00 45.33 H new ATOM 0 HZ1 LYS A 110 9.340 -10.847 19.465 1.00 15.34 H new ATOM 0 HZ2 LYS A 110 8.512 -12.251 19.941 1.00 15.34 H new ATOM 0 HZ3 LYS A 110 7.823 -11.208 18.792 1.00 15.34 H new ATOM 1772 N SER A 111 3.042 -6.994 22.768 1.00 22.01 N ATOM 1773 CA SER A 111 3.253 -5.692 23.390 1.00 44.11 C ATOM 1774 C SER A 111 2.426 -5.558 24.664 1.00 42.42 C ATOM 1775 O SER A 111 2.783 -4.810 25.575 1.00 52.14 O ATOM 1776 CB SER A 111 2.891 -4.572 22.412 1.00 52.03 C ATOM 1777 OG SER A 111 3.106 -3.298 22.993 1.00 44.21 O ATOM 0 H SER A 111 2.497 -6.967 21.906 1.00 22.01 H new ATOM 0 HA SER A 111 4.308 -5.609 23.653 1.00 44.11 H new ATOM 0 HB2 SER A 111 3.490 -4.668 21.507 1.00 52.03 H new ATOM 0 HB3 SER A 111 1.847 -4.668 22.115 1.00 52.03 H new ATOM 0 HG SER A 111 2.869 -2.600 22.348 1.00 44.21 H new ATOM 1783 N LYS A 112 1.317 -6.287 24.721 1.00 35.52 N ATOM 1784 CA LYS A 112 0.437 -6.253 25.883 1.00 23.04 C ATOM 1785 C LYS A 112 0.861 -7.290 26.918 1.00 4.54 C ATOM 1786 O LYS A 112 0.615 -7.126 28.114 1.00 33.21 O ATOM 1787 CB LYS A 112 -1.011 -6.503 25.460 1.00 53.03 C ATOM 1788 CG LYS A 112 -1.971 -5.410 25.896 1.00 32.21 C ATOM 1789 CD LYS A 112 -3.404 -5.913 25.951 1.00 63.31 C ATOM 1790 CE LYS A 112 -4.378 -4.790 26.270 1.00 63.24 C ATOM 1791 NZ LYS A 112 -5.059 -4.281 25.047 1.00 24.12 N ATOM 0 H LYS A 112 1.006 -6.909 23.975 1.00 35.52 H new ATOM 0 HA LYS A 112 0.512 -5.263 26.334 1.00 23.04 H new ATOM 0 HB2 LYS A 112 -1.052 -6.599 24.375 1.00 53.03 H new ATOM 0 HB3 LYS A 112 -1.343 -7.454 25.877 1.00 53.03 H new ATOM 0 HG2 LYS A 112 -1.678 -5.038 26.878 1.00 32.21 H new ATOM 0 HG3 LYS A 112 -1.906 -4.570 25.204 1.00 32.21 H new ATOM 0 HD2 LYS A 112 -3.669 -6.365 24.995 1.00 63.31 H new ATOM 0 HD3 LYS A 112 -3.488 -6.694 26.707 1.00 63.31 H new ATOM 0 HE2 LYS A 112 -5.125 -5.148 26.979 1.00 63.24 H new ATOM 0 HE3 LYS A 112 -3.844 -3.973 26.755 1.00 63.24 H new ATOM 0 HZ1 LYS A 112 -5.714 -3.517 25.307 1.00 24.12 H new ATOM 0 HZ2 LYS A 112 -4.349 -3.916 24.381 1.00 24.12 H new ATOM 0 HZ3 LYS A 112 -5.590 -5.054 24.598 1.00 24.12 H new ATOM 1805 N LYS A 113 1.503 -8.356 26.453 1.00 74.13 N ATOM 1806 CA LYS A 113 1.965 -9.419 27.338 1.00 73.41 C ATOM 1807 C LYS A 113 3.275 -9.032 28.015 1.00 73.25 C ATOM 1808 O LYS A 113 3.528 -9.405 29.160 1.00 34.13 O ATOM 1809 CB LYS A 113 2.148 -10.720 26.553 1.00 64.33 C ATOM 1810 CG LYS A 113 0.915 -11.607 26.548 1.00 21.14 C ATOM 1811 CD LYS A 113 1.267 -13.051 26.229 1.00 13.43 C ATOM 1812 CE LYS A 113 0.706 -14.005 27.272 1.00 45.44 C ATOM 1813 NZ LYS A 113 0.181 -15.254 26.654 1.00 21.03 N ATOM 0 H LYS A 113 1.716 -8.507 25.467 1.00 74.13 H new ATOM 0 HA LYS A 113 1.210 -9.570 28.109 1.00 73.41 H new ATOM 0 HB2 LYS A 113 2.416 -10.479 25.524 1.00 64.33 H new ATOM 0 HB3 LYS A 113 2.984 -11.276 26.978 1.00 64.33 H new ATOM 0 HG2 LYS A 113 0.426 -11.557 27.521 1.00 21.14 H new ATOM 0 HG3 LYS A 113 0.201 -11.235 25.813 1.00 21.14 H new ATOM 0 HD2 LYS A 113 0.875 -13.313 25.246 1.00 13.43 H new ATOM 0 HD3 LYS A 113 2.350 -13.160 26.180 1.00 13.43 H new ATOM 0 HE2 LYS A 113 1.485 -14.255 27.992 1.00 45.44 H new ATOM 0 HE3 LYS A 113 -0.092 -13.510 27.825 1.00 45.44 H new ATOM 0 HZ1 LYS A 113 -0.193 -15.878 27.397 1.00 21.03 H new ATOM 0 HZ2 LYS A 113 -0.580 -15.017 25.986 1.00 21.03 H new ATOM 0 HZ3 LYS A 113 0.948 -15.740 26.147 1.00 21.03 H new ATOM 1827 N LYS A 114 4.106 -8.281 27.300 1.00 65.32 N ATOM 1828 CA LYS A 114 5.390 -7.841 27.831 1.00 21.24 C ATOM 1829 C LYS A 114 5.205 -7.082 29.141 1.00 12.43 C ATOM 1830 O LYS A 114 6.099 -7.054 29.986 1.00 20.35 O ATOM 1831 CB LYS A 114 6.110 -6.954 26.813 1.00 12.24 C ATOM 1832 CG LYS A 114 5.500 -5.570 26.673 1.00 1.12 C ATOM 1833 CD LYS A 114 6.273 -4.535 27.472 1.00 24.33 C ATOM 1834 CE LYS A 114 7.243 -3.762 26.593 1.00 42.01 C ATOM 1835 NZ LYS A 114 8.511 -3.447 27.307 1.00 30.25 N ATOM 0 H LYS A 114 3.912 -7.964 26.350 1.00 65.32 H new ATOM 0 HA LYS A 114 5.997 -8.725 28.026 1.00 21.24 H new ATOM 0 HB2 LYS A 114 7.155 -6.853 27.106 1.00 12.24 H new ATOM 0 HB3 LYS A 114 6.098 -7.447 25.841 1.00 12.24 H new ATOM 0 HG2 LYS A 114 5.486 -5.283 25.622 1.00 1.12 H new ATOM 0 HG3 LYS A 114 4.464 -5.592 27.011 1.00 1.12 H new ATOM 0 HD2 LYS A 114 5.575 -3.842 27.942 1.00 24.33 H new ATOM 0 HD3 LYS A 114 6.822 -5.029 28.274 1.00 24.33 H new ATOM 0 HE2 LYS A 114 7.465 -4.344 25.699 1.00 42.01 H new ATOM 0 HE3 LYS A 114 6.773 -2.836 26.262 1.00 42.01 H new ATOM 0 HZ1 LYS A 114 9.145 -2.920 26.673 1.00 30.25 H new ATOM 0 HZ2 LYS A 114 8.302 -2.870 28.147 1.00 30.25 H new ATOM 0 HZ3 LYS A 114 8.973 -4.331 27.601 1.00 30.25 H new ATOM 1849 N ALA A 115 4.037 -6.467 29.305 1.00 64.55 N ATOM 1850 CA ALA A 115 3.734 -5.711 30.512 1.00 13.44 C ATOM 1851 C ALA A 115 3.591 -6.635 31.717 1.00 21.41 C ATOM 1852 O ALA A 115 3.804 -6.221 32.856 1.00 32.25 O ATOM 1853 CB ALA A 115 2.466 -4.893 30.319 1.00 20.22 C ATOM 0 H ALA A 115 3.286 -6.479 28.615 1.00 64.55 H new ATOM 0 HA ALA A 115 4.565 -5.032 30.704 1.00 13.44 H new ATOM 0 HB1 ALA A 115 2.252 -4.333 31.229 1.00 20.22 H new ATOM 0 HB2 ALA A 115 2.604 -4.199 29.490 1.00 20.22 H new ATOM 0 HB3 ALA A 115 1.633 -5.560 30.099 1.00 20.22 H new ATOM 1859 N GLN A 116 3.230 -7.887 31.456 1.00 15.15 N ATOM 1860 CA GLN A 116 3.057 -8.869 32.521 1.00 40.30 C ATOM 1861 C GLN A 116 4.325 -9.695 32.709 1.00 34.42 C ATOM 1862 O GLN A 116 5.066 -9.500 33.671 1.00 4.20 O ATOM 1863 CB GLN A 116 1.875 -9.790 32.209 1.00 4.41 C ATOM 1864 CG GLN A 116 0.532 -9.221 32.636 1.00 50.40 C ATOM 1865 CD GLN A 116 0.247 -7.868 32.014 1.00 13.13 C ATOM 1866 OE1 GLN A 116 0.531 -7.640 30.838 1.00 71.34 O ATOM 1867 NE2 GLN A 116 -0.318 -6.961 32.803 1.00 11.11 N ATOM 0 H GLN A 116 3.052 -8.246 30.518 1.00 15.15 H new ATOM 0 HA GLN A 116 2.854 -8.332 33.447 1.00 40.30 H new ATOM 0 HB2 GLN A 116 1.852 -9.988 31.137 1.00 4.41 H new ATOM 0 HB3 GLN A 116 2.030 -10.747 32.707 1.00 4.41 H new ATOM 0 HG2 GLN A 116 -0.259 -9.918 32.358 1.00 50.40 H new ATOM 0 HG3 GLN A 116 0.509 -9.129 33.722 1.00 50.40 H new ATOM 0 HE21 GLN A 116 -0.536 -7.193 33.772 1.00 11.11 H new ATOM 0 HE22 GLN A 116 -0.533 -6.032 32.440 1.00 11.11 H new ATOM 1876 N GLN A 117 4.565 -10.620 31.786 1.00 65.15 N ATOM 1877 CA GLN A 117 5.743 -11.477 31.851 1.00 71.21 C ATOM 1878 C GLN A 117 5.813 -12.204 33.190 1.00 75.21 C ATOM 1879 O GLN A 117 6.892 -12.576 33.649 1.00 12.11 O ATOM 1880 CB GLN A 117 7.014 -10.652 31.639 1.00 55.40 C ATOM 1881 CG GLN A 117 8.027 -11.318 30.723 1.00 74.40 C ATOM 1882 CD GLN A 117 8.878 -12.345 31.444 1.00 3.34 C ATOM 1883 OE1 GLN A 117 9.689 -12.000 32.306 1.00 72.32 O ATOM 1884 NE2 GLN A 117 8.700 -13.614 31.097 1.00 53.43 N ATOM 0 H GLN A 117 3.960 -10.795 30.984 1.00 65.15 H new ATOM 0 HA GLN A 117 5.664 -12.220 31.057 1.00 71.21 H new ATOM 0 HB2 GLN A 117 6.742 -9.682 31.222 1.00 55.40 H new ATOM 0 HB3 GLN A 117 7.480 -10.464 32.606 1.00 55.40 H new ATOM 0 HG2 GLN A 117 7.503 -11.800 29.898 1.00 74.40 H new ATOM 0 HG3 GLN A 117 8.674 -10.556 30.288 1.00 74.40 H new ATOM 0 HE21 GLN A 117 8.018 -13.855 30.378 1.00 53.43 H new ATOM 0 HE22 GLN A 117 9.246 -14.348 31.549 1.00 53.43 H new ATOM 1893 N ALA A 118 4.655 -12.404 33.810 1.00 11.31 N ATOM 1894 CA ALA A 118 4.584 -13.089 35.095 1.00 10.21 C ATOM 1895 C ALA A 118 3.184 -13.635 35.350 1.00 35.54 C ATOM 1896 O ALA A 118 3.009 -14.827 35.605 1.00 44.45 O ATOM 1897 CB ALA A 118 4.998 -12.147 36.218 1.00 63.52 C ATOM 0 H ALA A 118 3.753 -12.101 33.443 1.00 11.31 H new ATOM 0 HA ALA A 118 5.274 -13.932 35.068 1.00 10.21 H new ATOM 0 HB1 ALA A 118 4.941 -12.671 37.172 1.00 63.52 H new ATOM 0 HB2 ALA A 118 6.021 -11.809 36.051 1.00 63.52 H new ATOM 0 HB3 ALA A 118 4.330 -11.286 36.236 1.00 63.52 H new ATOM 1903 N ALA A 119 2.189 -12.756 35.281 1.00 33.12 N ATOM 1904 CA ALA A 119 0.804 -13.152 35.503 1.00 14.31 C ATOM 1905 C ALA A 119 0.371 -14.219 34.505 1.00 61.23 C ATOM 1906 O ALA A 119 -0.591 -14.950 34.740 1.00 10.24 O ATOM 1907 CB ALA A 119 -0.112 -11.940 35.414 1.00 20.44 C ATOM 0 H ALA A 119 2.317 -11.766 35.073 1.00 33.12 H new ATOM 0 HA ALA A 119 0.730 -13.577 36.504 1.00 14.31 H new ATOM 0 HB1 ALA A 119 -1.143 -12.250 35.582 1.00 20.44 H new ATOM 0 HB2 ALA A 119 0.175 -11.210 36.171 1.00 20.44 H new ATOM 0 HB3 ALA A 119 -0.025 -11.490 34.425 1.00 20.44 H new ATOM 1913 N ALA A 120 1.087 -14.304 33.388 1.00 15.42 N ATOM 1914 CA ALA A 120 0.776 -15.283 32.354 1.00 50.42 C ATOM 1915 C ALA A 120 1.437 -16.624 32.652 1.00 32.43 C ATOM 1916 O ALA A 120 2.204 -16.751 33.606 1.00 44.41 O ATOM 1917 CB ALA A 120 1.215 -14.768 30.990 1.00 2.43 C ATOM 0 H ALA A 120 1.886 -13.707 33.177 1.00 15.42 H new ATOM 0 HA ALA A 120 -0.304 -15.433 32.343 1.00 50.42 H new ATOM 0 HB1 ALA A 120 0.977 -15.509 30.227 1.00 2.43 H new ATOM 0 HB2 ALA A 120 0.693 -13.837 30.767 1.00 2.43 H new ATOM 0 HB3 ALA A 120 2.290 -14.588 30.998 1.00 2.43 H new ATOM 1923 N ASP A 121 1.133 -17.624 31.832 1.00 43.13 N ATOM 1924 CA ASP A 121 1.698 -18.957 32.007 1.00 45.21 C ATOM 1925 C ASP A 121 1.329 -19.527 33.373 1.00 4.54 C ATOM 1926 O ASP A 121 1.985 -20.440 33.874 1.00 21.52 O ATOM 1927 CB ASP A 121 3.219 -18.914 31.852 1.00 14.11 C ATOM 1928 CG ASP A 121 3.658 -19.041 30.407 1.00 53.41 C ATOM 1929 OD1 ASP A 121 2.859 -18.694 29.511 1.00 15.23 O ATOM 1930 OD2 ASP A 121 4.800 -19.485 30.170 1.00 11.12 O ATOM 0 H ASP A 121 0.498 -17.537 31.039 1.00 43.13 H new ATOM 0 HA ASP A 121 1.281 -19.606 31.237 1.00 45.21 H new ATOM 0 HB2 ASP A 121 3.597 -17.977 32.262 1.00 14.11 H new ATOM 0 HB3 ASP A 121 3.664 -19.720 32.436 1.00 14.11 H new ATOM 1935 N THR A 122 0.275 -18.981 33.972 1.00 5.42 N ATOM 1936 CA THR A 122 -0.179 -19.432 35.281 1.00 22.45 C ATOM 1937 C THR A 122 -0.906 -20.769 35.179 1.00 4.44 C ATOM 1938 O THR A 122 -2.125 -20.812 35.018 1.00 24.25 O ATOM 1939 CB THR A 122 -1.115 -18.400 35.938 1.00 23.13 C ATOM 1940 OG1 THR A 122 -1.761 -17.614 34.931 1.00 70.32 O ATOM 1941 CG2 THR A 122 -0.341 -17.490 36.880 1.00 31.44 C ATOM 0 H THR A 122 -0.280 -18.225 33.571 1.00 5.42 H new ATOM 0 HA THR A 122 0.710 -19.550 35.901 1.00 22.45 H new ATOM 0 HB THR A 122 -1.866 -18.939 36.515 1.00 23.13 H new ATOM 0 HG1 THR A 122 -1.347 -16.727 34.893 1.00 70.32 H new ATOM 0 HG21 THR A 122 -1.023 -16.770 37.332 1.00 31.44 H new ATOM 0 HG22 THR A 122 0.126 -18.089 37.662 1.00 31.44 H new ATOM 0 HG23 THR A 122 0.430 -16.959 36.321 1.00 31.44 H new ATOM 1949 N GLY A 123 -0.149 -21.858 35.276 1.00 42.03 N ATOM 1950 CA GLY A 123 -0.740 -23.181 35.192 1.00 42.42 C ATOM 1951 C GLY A 123 0.293 -24.284 35.312 1.00 74.52 C ATOM 1952 O GLY A 123 1.058 -24.325 36.274 1.00 63.45 O ATOM 0 H GLY A 123 0.862 -21.848 35.411 1.00 42.03 H new ATOM 0 HA2 GLY A 123 -1.483 -23.295 35.982 1.00 42.42 H new ATOM 0 HA3 GLY A 123 -1.266 -23.281 34.243 1.00 42.42 H new ATOM 1956 N ASN A 124 0.312 -25.183 34.333 1.00 72.33 N ATOM 1957 CA ASN A 124 1.256 -26.295 34.334 1.00 0.24 C ATOM 1958 C ASN A 124 2.429 -26.013 33.401 1.00 51.31 C ATOM 1959 O ASN A 124 3.584 -26.006 33.825 1.00 74.02 O ATOM 1960 CB ASN A 124 0.554 -27.587 33.913 1.00 22.44 C ATOM 1961 CG ASN A 124 0.031 -28.374 35.099 1.00 23.44 C ATOM 1962 OD1 ASN A 124 0.796 -29.027 35.812 1.00 52.52 O ATOM 1963 ND2 ASN A 124 -1.277 -28.317 35.318 1.00 51.41 N ATOM 0 H ASN A 124 -0.315 -25.163 33.529 1.00 72.33 H new ATOM 0 HA ASN A 124 1.641 -26.412 35.347 1.00 0.24 H new ATOM 0 HB2 ASN A 124 -0.274 -27.347 33.246 1.00 22.44 H new ATOM 0 HB3 ASN A 124 1.249 -28.207 33.347 1.00 22.44 H new ATOM 0 HD21 ASN A 124 -1.686 -28.826 36.102 1.00 51.41 H new ATOM 0 HD22 ASN A 124 -1.874 -27.764 34.703 1.00 51.41 H new ATOM 1970 N ASN A 125 2.124 -25.780 32.128 1.00 31.22 N ATOM 1971 CA ASN A 125 3.152 -25.498 31.135 1.00 45.55 C ATOM 1972 C ASN A 125 2.529 -25.034 29.822 1.00 12.44 C ATOM 1973 O ASN A 125 1.404 -25.410 29.491 1.00 45.42 O ATOM 1974 CB ASN A 125 4.012 -26.740 30.892 1.00 21.13 C ATOM 1975 CG ASN A 125 3.195 -28.017 30.889 1.00 51.13 C ATOM 1976 OD1 ASN A 125 3.057 -28.682 31.916 1.00 22.22 O ATOM 1977 ND2 ASN A 125 2.647 -28.366 29.731 1.00 54.34 N ATOM 0 H ASN A 125 1.172 -25.781 31.761 1.00 31.22 H new ATOM 0 HA ASN A 125 3.783 -24.697 31.521 1.00 45.55 H new ATOM 0 HB2 ASN A 125 4.528 -26.640 29.937 1.00 21.13 H new ATOM 0 HB3 ASN A 125 4.779 -26.804 31.664 1.00 21.13 H new ATOM 0 HD21 ASN A 125 2.086 -29.215 29.668 1.00 54.34 H new ATOM 0 HD22 ASN A 125 2.787 -27.785 28.905 1.00 54.34 H new ATOM 1984 N SER A 126 3.266 -24.216 29.079 1.00 1.24 N ATOM 1985 CA SER A 126 2.785 -23.697 27.803 1.00 13.15 C ATOM 1986 C SER A 126 3.878 -22.909 27.090 1.00 63.04 C ATOM 1987 O SER A 126 4.754 -22.327 27.728 1.00 45.43 O ATOM 1988 CB SER A 126 1.559 -22.809 28.021 1.00 54.24 C ATOM 1989 OG SER A 126 1.382 -22.509 29.394 1.00 5.34 O ATOM 0 H SER A 126 4.200 -23.897 29.338 1.00 1.24 H new ATOM 0 HA SER A 126 2.505 -24.544 27.176 1.00 13.15 H new ATOM 0 HB2 SER A 126 1.671 -21.884 27.455 1.00 54.24 H new ATOM 0 HB3 SER A 126 0.670 -23.311 27.638 1.00 54.24 H new ATOM 0 HG SER A 126 0.593 -21.939 29.505 1.00 5.34 H new ATOM 1995 N GLN A 127 3.819 -22.895 25.762 1.00 73.10 N ATOM 1996 CA GLN A 127 4.804 -22.180 24.960 1.00 14.42 C ATOM 1997 C GLN A 127 4.122 -21.246 23.965 1.00 31.53 C ATOM 1998 O GLN A 127 3.160 -21.629 23.298 1.00 1.33 O ATOM 1999 CB GLN A 127 5.703 -23.168 24.217 1.00 3.10 C ATOM 2000 CG GLN A 127 6.645 -23.939 25.129 1.00 13.30 C ATOM 2001 CD GLN A 127 7.588 -24.844 24.362 1.00 34.44 C ATOM 2002 OE1 GLN A 127 7.154 -25.724 23.617 1.00 64.04 O ATOM 2003 NE2 GLN A 127 8.887 -24.636 24.541 1.00 4.40 N ATOM 0 H GLN A 127 3.099 -23.371 25.219 1.00 73.10 H new ATOM 0 HA GLN A 127 5.416 -21.579 25.633 1.00 14.42 H new ATOM 0 HB2 GLN A 127 5.078 -23.876 23.672 1.00 3.10 H new ATOM 0 HB3 GLN A 127 6.291 -22.626 23.476 1.00 3.10 H new ATOM 0 HG2 GLN A 127 7.227 -23.235 25.723 1.00 13.30 H new ATOM 0 HG3 GLN A 127 6.060 -24.538 25.827 1.00 13.30 H new ATOM 0 HE21 GLN A 127 9.203 -23.896 25.167 1.00 4.40 H new ATOM 0 HE22 GLN A 127 9.569 -25.216 24.052 1.00 4.40 H new ATOM 2012 N VAL A 128 4.626 -20.020 23.871 1.00 53.31 N ATOM 2013 CA VAL A 128 4.066 -19.032 22.957 1.00 71.44 C ATOM 2014 C VAL A 128 5.157 -18.138 22.378 1.00 52.35 C ATOM 2015 O VAL A 128 4.926 -16.961 22.098 1.00 24.23 O ATOM 2016 CB VAL A 128 3.014 -18.152 23.657 1.00 72.23 C ATOM 2017 CG1 VAL A 128 1.893 -19.009 24.224 1.00 73.00 C ATOM 2018 CG2 VAL A 128 3.661 -17.315 24.750 1.00 64.43 C ATOM 0 H VAL A 128 5.421 -19.687 24.417 1.00 53.31 H new ATOM 0 HA VAL A 128 3.587 -19.585 22.149 1.00 71.44 H new ATOM 0 HB VAL A 128 2.584 -17.475 22.919 1.00 72.23 H new ATOM 0 HG11 VAL A 128 1.159 -18.370 24.715 1.00 73.00 H new ATOM 0 HG12 VAL A 128 1.412 -19.560 23.416 1.00 73.00 H new ATOM 0 HG13 VAL A 128 2.304 -19.713 24.948 1.00 73.00 H new ATOM 0 HG21 VAL A 128 2.903 -16.699 25.234 1.00 64.43 H new ATOM 0 HG22 VAL A 128 4.120 -17.973 25.488 1.00 64.43 H new ATOM 0 HG23 VAL A 128 4.425 -16.672 24.312 1.00 64.43 H new ATOM 2028 N SER A 129 6.346 -18.704 22.200 1.00 12.11 N ATOM 2029 CA SER A 129 7.475 -17.957 21.657 1.00 32.24 C ATOM 2030 C SER A 129 8.276 -18.816 20.684 1.00 43.32 C ATOM 2031 O SER A 129 8.268 -20.044 20.770 1.00 12.42 O ATOM 2032 CB SER A 129 8.381 -17.469 22.789 1.00 1.34 C ATOM 2033 OG SER A 129 9.094 -16.304 22.405 1.00 34.34 O ATOM 0 H SER A 129 6.553 -19.677 22.424 1.00 12.11 H new ATOM 0 HA SER A 129 7.084 -17.095 21.117 1.00 32.24 H new ATOM 0 HB2 SER A 129 7.781 -17.257 23.674 1.00 1.34 H new ATOM 0 HB3 SER A 129 9.084 -18.256 23.062 1.00 1.34 H new ATOM 0 HG SER A 129 9.665 -16.011 23.146 1.00 34.34 H new ATOM 2039 N GLN A 130 8.967 -18.159 19.756 1.00 24.54 N ATOM 2040 CA GLN A 130 9.774 -18.862 18.765 1.00 51.21 C ATOM 2041 C GLN A 130 11.175 -18.266 18.683 1.00 64.24 C ATOM 2042 O GLN A 130 11.375 -17.205 18.092 1.00 3.12 O ATOM 2043 CB GLN A 130 9.099 -18.803 17.394 1.00 43.42 C ATOM 2044 CG GLN A 130 8.815 -20.171 16.795 1.00 12.22 C ATOM 2045 CD GLN A 130 8.955 -20.188 15.286 1.00 20.31 C ATOM 2046 OE1 GLN A 130 9.774 -20.926 14.736 1.00 51.33 O ATOM 2047 NE2 GLN A 130 8.154 -19.375 14.608 1.00 24.21 N ATOM 0 H GLN A 130 8.984 -17.143 19.670 1.00 24.54 H new ATOM 0 HA GLN A 130 9.861 -19.904 19.075 1.00 51.21 H new ATOM 0 HB2 GLN A 130 8.162 -18.253 17.483 1.00 43.42 H new ATOM 0 HB3 GLN A 130 9.734 -18.241 16.710 1.00 43.42 H new ATOM 0 HG2 GLN A 130 9.498 -20.902 17.228 1.00 12.22 H new ATOM 0 HG3 GLN A 130 7.805 -20.479 17.066 1.00 12.22 H new ATOM 0 HE21 GLN A 130 7.491 -18.781 15.105 1.00 24.21 H new ATOM 0 HE22 GLN A 130 8.202 -19.344 13.590 1.00 24.21 H new ATOM 2056 N ASN A 131 12.143 -18.956 19.278 1.00 75.44 N ATOM 2057 CA ASN A 131 13.526 -18.495 19.272 1.00 53.23 C ATOM 2058 C ASN A 131 14.414 -19.449 18.479 1.00 24.03 C ATOM 2059 O ASN A 131 14.302 -20.669 18.605 1.00 11.45 O ATOM 2060 CB ASN A 131 14.048 -18.364 20.703 1.00 32.23 C ATOM 2061 CG ASN A 131 13.500 -19.442 21.619 1.00 42.43 C ATOM 2062 OD1 ASN A 131 14.043 -20.544 21.693 1.00 72.45 O ATOM 2063 ND2 ASN A 131 12.419 -19.127 22.322 1.00 32.15 N ATOM 0 H ASN A 131 11.995 -19.837 19.771 1.00 75.44 H new ATOM 0 HA ASN A 131 13.555 -17.517 18.792 1.00 53.23 H new ATOM 0 HB2 ASN A 131 15.137 -18.416 20.696 1.00 32.23 H new ATOM 0 HB3 ASN A 131 13.778 -17.384 21.097 1.00 32.23 H new ATOM 0 HD21 ASN A 131 12.005 -19.811 22.955 1.00 32.15 H new ATOM 0 HD22 ASN A 131 12.002 -18.201 22.229 1.00 32.15 H new ATOM 2070 N TYR A 132 15.298 -18.886 17.663 1.00 43.24 N ATOM 2071 CA TYR A 132 16.205 -19.686 16.848 1.00 34.04 C ATOM 2072 C TYR A 132 17.321 -20.282 17.701 1.00 13.12 C ATOM 2073 O TYR A 132 18.490 -19.940 17.537 1.00 30.24 O ATOM 2074 CB TYR A 132 16.804 -18.833 15.728 1.00 22.33 C ATOM 2075 CG TYR A 132 17.588 -19.634 14.712 1.00 54.44 C ATOM 2076 CD1 TYR A 132 17.021 -20.731 14.076 1.00 74.31 C ATOM 2077 CD2 TYR A 132 18.894 -19.291 14.387 1.00 4.13 C ATOM 2078 CE1 TYR A 132 17.733 -21.465 13.147 1.00 45.20 C ATOM 2079 CE2 TYR A 132 19.614 -20.018 13.458 1.00 34.13 C ATOM 2080 CZ TYR A 132 19.029 -21.105 12.842 1.00 50.32 C ATOM 2081 OH TYR A 132 19.741 -21.832 11.917 1.00 42.02 O ATOM 0 H TYR A 132 15.406 -17.878 17.548 1.00 43.24 H new ATOM 0 HA TYR A 132 15.633 -20.503 16.408 1.00 34.04 H new ATOM 0 HB2 TYR A 132 16.001 -18.301 15.218 1.00 22.33 H new ATOM 0 HB3 TYR A 132 17.457 -18.079 16.167 1.00 22.33 H new ATOM 0 HD1 TYR A 132 16.006 -21.015 14.312 1.00 74.31 H new ATOM 0 HD2 TYR A 132 19.355 -18.441 14.869 1.00 4.13 H new ATOM 0 HE1 TYR A 132 17.277 -22.316 12.662 1.00 45.20 H new ATOM 0 HE2 TYR A 132 20.628 -19.737 13.216 1.00 34.13 H new ATOM 0 HH TYR A 132 20.636 -21.446 11.817 1.00 42.02 H new TER 2091 TYR A 132 HETATM 2092 C1 MYR A 1 2.814 14.541 -3.171 1.00 34.10 C HETATM 2093 O1 MYR A 1 1.725 14.768 -2.646 1.00 72.25 O HETATM 2094 C2 MYR A 1 3.839 13.715 -2.390 1.00 54.43 C HETATM 2095 C3 MYR A 1 4.446 12.532 -3.179 1.00 45.51 C HETATM 2096 C4 MYR A 1 3.923 11.173 -2.681 1.00 13.10 C HETATM 2097 C5 MYR A 1 3.024 10.480 -3.722 1.00 32.32 C HETATM 2098 C6 MYR A 1 2.961 8.955 -3.514 1.00 2.41 C HETATM 2099 C7 MYR A 1 2.291 8.577 -2.180 1.00 3.24 C HETATM 2100 C8 MYR A 1 2.100 7.056 -2.033 1.00 63.40 C HETATM 2101 C9 MYR A 1 3.286 6.386 -1.311 1.00 51.33 C HETATM 2102 C10 MYR A 1 2.995 4.915 -0.951 1.00 22.34 C HETATM 2103 C11 MYR A 1 1.700 4.703 -0.138 1.00 2.24 C HETATM 2104 C12 MYR A 1 1.560 3.297 0.480 1.00 65.55 C HETATM 2105 C13 MYR A 1 0.176 2.680 0.217 1.00 33.10 C HETATM 2106 C14 MYR A 1 0.228 1.146 0.200 1.00 14.12 C HETATM 0 H143 MYR A 1 0.905 0.814 -0.587 1.00 14.12 H new HETATM 0 H142 MYR A 1 0.586 0.783 1.164 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.770 0.750 0.011 1.00 14.12 H new HETATM 0 H132 MYR A 1 -0.521 3.011 0.986 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.207 3.041 -0.737 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.330 2.644 0.070 1.00 65.55 H new HETATM 0 H121 MYR A 1 1.731 3.356 1.555 1.00 65.55 H new HETATM 0 H112 MYR A 1 1.661 5.443 0.661 1.00 2.24 H new HETATM 0 H111 MYR A 1 0.844 4.889 -0.786 1.00 2.24 H new HETATM 0 H102 MYR A 1 2.931 4.334 -1.871 1.00 22.34 H new HETATM 0 H101 MYR A 1 3.836 4.519 -0.382 1.00 22.34 H new HETATM 0 H92 MYR A 1 4.170 6.434 -1.947 1.00 51.33 H new HETATM 0 H91 MYR A 1 3.516 6.942 -0.402 1.00 51.33 H new HETATM 0 H82 MYR A 1 1.182 6.859 -1.479 1.00 63.40 H new HETATM 0 H81 MYR A 1 1.979 6.610 -3.020 1.00 63.40 H new HETATM 0 H72 MYR A 1 2.898 8.946 -1.353 1.00 3.24 H new HETATM 0 H71 MYR A 1 1.322 9.071 -2.110 1.00 3.24 H new HETATM 0 H62 MYR A 1 2.410 8.500 -4.337 1.00 2.41 H new HETATM 0 H61 MYR A 1 3.970 8.544 -3.541 1.00 2.41 H new HETATM 0 H52 MYR A 1 2.018 10.895 -3.664 1.00 32.32 H new HETATM 0 H51 MYR A 1 3.399 10.693 -4.723 1.00 32.32 H new HETATM 0 H42 MYR A 1 4.767 10.525 -2.443 1.00 13.10 H new HETATM 0 H41 MYR A 1 3.362 11.317 -1.758 1.00 13.10 H new HETATM 0 H32 MYR A 1 4.211 12.644 -4.237 1.00 45.51 H new HETATM 0 H31 MYR A 1 5.532 12.557 -3.089 1.00 45.51 H new HETATM 0 H22 MYR A 1 4.646 14.372 -2.068 1.00 54.43 H new HETATM 0 H21 MYR A 1 3.364 13.328 -1.489 1.00 54.43 H new