USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 977 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot 180:sc= -0.247 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.403 X(o=-0.65,f=-0.41) USER MOD Set 2.1: A 78 GLN : amide:sc= -3.23! K(o=-4.7!,f=0.28) USER MOD Set 2.2: A 80 SER OG : rot -147:sc= -1.49 USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 76 THR OG1 : rot 180:sc= -0.632 USER MOD Set 4.1: A 56 THR OG1 : rot -69:sc= 0.0149 USER MOD Set 4.2: A 67 SER OG : rot 180:sc= 0.014 USER MOD Set 5.1: A 38 ASN : amide:sc= -2.3! K(o=-6.2!,f=-0.46) USER MOD Set 5.2: A 41 ASN : amide:sc= -3.9! K(o=-6.2!,f=-1.1) USER MOD Set 6.1: A 19 ASN : amide:sc= -1.53 K(o=-2.9,f=-1.3) USER MOD Set 6.2: A 102 TYR OH : rot 15:sc= -1.36 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0694 (180deg=-0.377) USER MOD Single : A 8 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0375) USER MOD Single : A 17 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0232) USER MOD Single : A 21 ASN : amide:sc= -4.97! K(o=-5!,f=-0.73) USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= -1.65 (180deg=-1.72) USER MOD Single : A 30 SER OG : rot -19:sc= 0.449! USER MOD Single : A 33 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.034) USER MOD Single : A 34 TYR OH : rot 63:sc= 1.27 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= -0.909 (180deg=-0.939) USER MOD Single : A 39 SER OG : rot 136:sc= 0.16 USER MOD Single : A 44 LYS NZ :NH3+ 134:sc= -1.18 (180deg=-2.46) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -97:sc= 0.177 USER MOD Single : A 68 THR OG1 : rot -58:sc= 0.00178 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 79:sc= 0.244 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= -1.93! (180deg=-3.55!) USER MOD Single : A 81 GLN : amide:sc= -3.69! K(o=-3.7!,f=-0.2) USER MOD Single : A 87 THR OG1 : rot 40:sc= -1.47 USER MOD Single : A 91 GLN : amide:sc= -3.21! K(o=-3.2!,f=-0.14) USER MOD Single : A 93 MET CE :methyl -109:sc= -3.08 (180deg=-4.77!) USER MOD Single : A 97 SER OG : rot 170:sc= -0.647 USER MOD Single : A 105 SER OG : rot -140:sc= 0.0175 USER MOD Single : A 121 ASN : amide:sc= -0.506 K(o=-0.51,f=0) USER MOD Single : A 123 THR OG1 : rot -100:sc= -0.315 USER MOD Single : A 127 LYS NZ :NH3+ -167:sc= -0.0351 (180deg=-0.267) USER MOD Single : A 132 SER OG : rot -25:sc= 0.226 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -164:sc= -0.0552 (180deg=-0.318) USER MOD Single : A 136 SER OG : rot -61:sc= 0.3 USER MOD Single : A 137 SER OG : rot -140:sc= -0.0227 USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 4 -22.714 5.676 -0.535 1.00 0.82 N ATOM 60 CA LYS A 4 -21.469 5.545 -1.276 1.00 0.74 C ATOM 61 C LYS A 4 -20.403 4.885 -0.413 1.00 0.69 C ATOM 62 O LYS A 4 -19.595 4.096 -0.903 1.00 0.64 O ATOM 63 CB LYS A 4 -20.987 6.914 -1.758 1.00 0.74 C ATOM 64 CG LYS A 4 -21.942 7.580 -2.736 1.00 1.23 C ATOM 65 CD LYS A 4 -21.423 8.933 -3.200 1.00 1.54 C ATOM 66 CE LYS A 4 -20.158 8.792 -4.035 1.00 2.11 C ATOM 67 NZ LYS A 4 -20.390 7.974 -5.256 1.00 2.63 N ATOM 0 HA LYS A 4 -21.652 4.914 -2.146 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -20.848 7.566 -0.896 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -20.012 6.801 -2.233 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -22.089 6.931 -3.600 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -22.916 7.707 -2.264 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -22.192 9.437 -3.786 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -21.219 9.562 -2.333 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -19.800 9.781 -4.322 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -19.374 8.332 -3.433 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -19.599 8.107 -5.918 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -20.457 6.970 -4.994 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -21.276 8.273 -5.711 1.00 2.63 H new ATOM 81 N ALA A 5 -20.407 5.213 0.878 1.00 0.73 N ATOM 82 CA ALA A 5 -19.445 4.644 1.809 1.00 0.73 C ATOM 83 C ALA A 5 -19.523 3.123 1.789 1.00 0.71 C ATOM 84 O ALA A 5 -18.513 2.437 1.616 1.00 0.64 O ATOM 85 CB ALA A 5 -19.685 5.173 3.216 1.00 0.82 C ATOM 0 H ALA A 5 -21.066 5.869 1.298 1.00 0.73 H new ATOM 0 HA ALA A 5 -18.444 4.943 1.497 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -18.956 4.736 3.898 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -19.581 6.258 3.219 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -20.691 4.904 3.539 1.00 0.82 H new ATOM 91 N ASP A 6 -20.734 2.603 1.958 1.00 0.80 N ATOM 92 CA ASP A 6 -20.955 1.165 1.942 1.00 0.81 C ATOM 93 C ASP A 6 -20.705 0.610 0.548 1.00 0.75 C ATOM 94 O ASP A 6 -20.244 -0.522 0.396 1.00 0.74 O ATOM 95 CB ASP A 6 -22.378 0.835 2.399 1.00 0.90 C ATOM 96 CG ASP A 6 -22.619 -0.657 2.512 1.00 1.65 C ATOM 97 OD1 ASP A 6 -22.963 -1.282 1.488 1.00 2.57 O ATOM 98 OD2 ASP A 6 -22.464 -1.200 3.627 1.00 1.58 O ATOM 0 H ASP A 6 -21.577 3.158 2.108 1.00 0.80 H new ATOM 0 HA ASP A 6 -20.254 0.699 2.635 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -22.564 1.304 3.365 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -23.091 1.263 1.694 1.00 0.90 H new ATOM 103 N GLU A 7 -21.017 1.409 -0.472 1.00 0.74 N ATOM 104 CA GLU A 7 -20.789 0.994 -1.848 1.00 0.71 C ATOM 105 C GLU A 7 -19.324 0.616 -2.018 1.00 0.63 C ATOM 106 O GLU A 7 -18.981 -0.286 -2.784 1.00 0.59 O ATOM 107 CB GLU A 7 -21.161 2.118 -2.818 1.00 0.72 C ATOM 108 CG GLU A 7 -20.974 1.746 -4.281 1.00 1.31 C ATOM 109 CD GLU A 7 -21.279 2.898 -5.220 1.00 1.58 C ATOM 110 OE1 GLU A 7 -20.375 3.726 -5.458 1.00 1.91 O ATOM 111 OE2 GLU A 7 -22.423 2.971 -5.717 1.00 2.10 O ATOM 0 H GLU A 7 -21.425 2.338 -0.369 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.418 0.132 -2.072 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.201 2.399 -2.653 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.554 2.995 -2.594 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -19.948 1.415 -4.439 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -21.622 0.903 -4.523 1.00 1.31 H new ATOM 118 N ASN A 8 -18.465 1.318 -1.283 1.00 0.61 N ATOM 119 CA ASN A 8 -17.035 1.064 -1.325 1.00 0.54 C ATOM 120 C ASN A 8 -16.701 -0.203 -0.550 1.00 0.48 C ATOM 121 O ASN A 8 -15.832 -0.978 -0.948 1.00 0.39 O ATOM 122 CB ASN A 8 -16.261 2.241 -0.732 1.00 0.62 C ATOM 123 CG ASN A 8 -16.793 3.580 -1.196 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.250 3.724 -2.329 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.742 4.569 -0.310 1.00 0.55 N ATOM 0 H ASN A 8 -18.740 2.069 -0.650 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.744 0.937 -2.368 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.310 2.192 0.356 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -15.210 2.156 -1.008 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.091 5.495 -0.558 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.354 4.402 0.618 1.00 0.55 H new ATOM 132 N LYS A 9 -17.393 -0.395 0.569 1.00 0.57 N ATOM 133 CA LYS A 9 -17.180 -1.564 1.415 1.00 0.57 C ATOM 134 C LYS A 9 -17.364 -2.865 0.634 1.00 0.48 C ATOM 135 O LYS A 9 -16.625 -3.828 0.837 1.00 0.44 O ATOM 136 CB LYS A 9 -18.152 -1.537 2.596 1.00 0.72 C ATOM 137 CG LYS A 9 -17.845 -2.572 3.667 1.00 0.86 C ATOM 138 CD LYS A 9 -18.798 -2.451 4.846 1.00 1.55 C ATOM 139 CE LYS A 9 -18.490 -3.480 5.922 1.00 1.84 C ATOM 140 NZ LYS A 9 -19.404 -3.351 7.090 1.00 2.67 N ATOM 0 H LYS A 9 -18.108 0.246 0.912 1.00 0.57 H new ATOM 0 HA LYS A 9 -16.153 -1.527 1.778 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -18.134 -0.545 3.047 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -19.164 -1.700 2.225 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -17.918 -3.572 3.240 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -16.819 -2.447 4.012 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -18.729 -1.449 5.269 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -19.824 -2.581 4.500 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -18.577 -4.482 5.502 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -17.458 -3.362 6.253 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -19.162 -4.070 7.801 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -19.303 -2.404 7.507 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -20.387 -3.489 6.779 1.00 2.67 H new ATOM 154 N VAL A 10 -18.351 -2.889 -0.260 1.00 0.48 N ATOM 155 CA VAL A 10 -18.636 -4.087 -1.047 1.00 0.44 C ATOM 156 C VAL A 10 -17.662 -4.272 -2.211 1.00 0.39 C ATOM 157 O VAL A 10 -17.105 -5.357 -2.385 1.00 0.37 O ATOM 158 CB VAL A 10 -20.082 -4.086 -1.584 1.00 0.51 C ATOM 159 CG1 VAL A 10 -21.073 -4.236 -0.441 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.366 -2.821 -2.377 1.00 1.15 C ATOM 0 H VAL A 10 -18.963 -2.097 -0.457 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.510 -4.926 -0.362 1.00 0.44 H new ATOM 0 HB VAL A 10 -20.197 -4.937 -2.255 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -22.088 -4.233 -0.837 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -20.889 -5.176 0.079 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.953 -3.406 0.256 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.392 -2.845 -2.745 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.231 -1.951 -1.735 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -19.679 -2.759 -3.221 1.00 1.15 H new ATOM 170 N LYS A 11 -17.453 -3.226 -3.011 1.00 0.38 N ATOM 171 CA LYS A 11 -16.548 -3.326 -4.156 1.00 0.37 C ATOM 172 C LYS A 11 -15.102 -3.517 -3.709 1.00 0.31 C ATOM 173 O LYS A 11 -14.289 -4.083 -4.440 1.00 0.30 O ATOM 174 CB LYS A 11 -16.664 -2.100 -5.069 1.00 0.40 C ATOM 175 CG LYS A 11 -16.354 -0.776 -4.391 1.00 0.39 C ATOM 176 CD LYS A 11 -16.534 0.386 -5.359 1.00 0.46 C ATOM 177 CE LYS A 11 -16.281 1.727 -4.691 1.00 1.37 C ATOM 178 NZ LYS A 11 -16.364 2.855 -5.662 1.00 1.69 N ATOM 0 H LYS A 11 -17.891 -2.313 -2.890 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.848 -4.206 -4.725 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -15.988 -2.227 -5.914 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.675 -2.058 -5.473 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -17.009 -0.642 -3.530 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.331 -0.786 -4.015 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -15.852 0.266 -6.201 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -17.546 0.368 -5.764 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -17.009 1.879 -3.894 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -15.296 1.721 -4.225 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -16.022 3.727 -5.211 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -15.776 2.642 -6.493 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -17.352 2.984 -5.961 1.00 1.69 H new ATOM 192 N GLY A 12 -14.785 -3.044 -2.509 1.00 0.31 N ATOM 193 CA GLY A 12 -13.438 -3.177 -1.993 1.00 0.29 C ATOM 194 C GLY A 12 -13.145 -4.581 -1.505 1.00 0.27 C ATOM 195 O GLY A 12 -12.166 -5.197 -1.924 1.00 0.28 O ATOM 0 H GLY A 12 -15.438 -2.571 -1.885 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.725 -2.909 -2.773 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.294 -2.473 -1.174 1.00 0.29 H new ATOM 199 N GLU A 13 -14.000 -5.088 -0.621 1.00 0.26 N ATOM 200 CA GLU A 13 -13.835 -6.430 -0.078 1.00 0.26 C ATOM 201 C GLU A 13 -13.914 -7.472 -1.189 1.00 0.23 C ATOM 202 O GLU A 13 -13.318 -8.544 -1.098 1.00 0.23 O ATOM 203 CB GLU A 13 -14.910 -6.706 0.977 1.00 0.30 C ATOM 204 CG GLU A 13 -14.838 -8.098 1.585 1.00 1.16 C ATOM 205 CD GLU A 13 -13.547 -8.344 2.338 1.00 1.67 C ATOM 206 OE1 GLU A 13 -13.209 -7.525 3.220 1.00 1.95 O ATOM 207 OE2 GLU A 13 -12.872 -9.353 2.046 1.00 2.39 O ATOM 0 H GLU A 13 -14.815 -4.588 -0.266 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.852 -6.495 0.389 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -14.820 -5.968 1.774 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -15.892 -6.569 0.524 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -15.681 -8.238 2.262 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -14.939 -8.841 0.794 1.00 1.16 H new ATOM 214 N ALA A 14 -14.650 -7.140 -2.242 1.00 0.22 N ATOM 215 CA ALA A 14 -14.811 -8.042 -3.377 1.00 0.21 C ATOM 216 C ALA A 14 -13.581 -8.007 -4.272 1.00 0.19 C ATOM 217 O ALA A 14 -13.177 -9.028 -4.831 1.00 0.23 O ATOM 218 CB ALA A 14 -16.057 -7.675 -4.170 1.00 0.23 C ATOM 0 H ALA A 14 -15.145 -6.253 -2.334 1.00 0.22 H new ATOM 0 HA ALA A 14 -14.926 -9.057 -2.996 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.165 -8.356 -5.014 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -16.934 -7.753 -3.527 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.966 -6.653 -4.538 1.00 0.23 H new ATOM 224 N PHE A 15 -12.991 -6.824 -4.408 1.00 0.19 N ATOM 225 CA PHE A 15 -11.800 -6.657 -5.230 1.00 0.17 C ATOM 226 C PHE A 15 -10.666 -7.535 -4.716 1.00 0.15 C ATOM 227 O PHE A 15 -10.088 -8.316 -5.469 1.00 0.15 O ATOM 228 CB PHE A 15 -11.366 -5.187 -5.252 1.00 0.20 C ATOM 229 CG PHE A 15 -9.881 -4.993 -5.408 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.234 -5.345 -6.583 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.136 -4.457 -4.373 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.870 -5.167 -6.719 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.771 -4.274 -4.502 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.138 -4.632 -5.676 1.00 0.21 C ATOM 0 H PHE A 15 -13.318 -5.968 -3.960 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.041 -6.964 -6.248 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.877 -4.679 -6.070 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.690 -4.708 -4.328 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.802 -5.763 -7.401 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.627 -4.178 -3.452 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.377 -5.446 -7.639 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.202 -3.852 -3.687 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.072 -4.494 -5.779 1.00 0.21 H new ATOM 244 N LEU A 16 -10.349 -7.402 -3.430 1.00 0.16 N ATOM 245 CA LEU A 16 -9.274 -8.194 -2.841 1.00 0.18 C ATOM 246 C LEU A 16 -9.636 -9.674 -2.811 1.00 0.18 C ATOM 247 O LEU A 16 -8.765 -10.533 -2.963 1.00 0.19 O ATOM 248 CB LEU A 16 -8.916 -7.700 -1.442 1.00 0.24 C ATOM 249 CG LEU A 16 -10.079 -7.148 -0.619 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.735 -8.260 0.182 1.00 0.53 C ATOM 251 CD2 LEU A 16 -9.599 -6.039 0.306 1.00 0.55 C ATOM 0 H LEU A 16 -10.814 -6.763 -2.785 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.395 -8.069 -3.474 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.463 -8.524 -0.890 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.158 -6.922 -1.534 1.00 0.24 H new ATOM 0 HG LEU A 16 -10.818 -6.730 -1.303 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.562 -7.851 0.763 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -11.112 -9.024 -0.498 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -10.002 -8.704 0.856 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -10.441 -5.658 0.884 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -8.842 -6.433 0.984 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -9.170 -5.231 -0.287 1.00 0.55 H new ATOM 263 N THR A 17 -10.921 -9.974 -2.621 1.00 0.19 N ATOM 264 CA THR A 17 -11.368 -11.360 -2.597 1.00 0.20 C ATOM 265 C THR A 17 -10.985 -12.044 -3.904 1.00 0.21 C ATOM 266 O THR A 17 -10.469 -13.162 -3.907 1.00 0.22 O ATOM 267 CB THR A 17 -12.893 -11.467 -2.377 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.223 -11.065 -1.044 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.381 -12.891 -2.611 1.00 0.27 C ATOM 0 H THR A 17 -11.659 -9.284 -2.484 1.00 0.19 H new ATOM 0 HA THR A 17 -10.877 -11.856 -1.760 1.00 0.20 H new ATOM 0 HB THR A 17 -13.385 -10.808 -3.093 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.612 -10.166 -1.060 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.458 -12.938 -2.449 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.154 -13.190 -3.634 1.00 0.27 H new ATOM 0 HG23 THR A 17 -12.880 -13.566 -1.917 1.00 0.27 H new ATOM 277 N GLU A 18 -11.245 -11.362 -5.014 1.00 0.21 N ATOM 278 CA GLU A 18 -10.904 -11.883 -6.331 1.00 0.22 C ATOM 279 C GLU A 18 -9.399 -11.783 -6.555 1.00 0.21 C ATOM 280 O GLU A 18 -8.801 -12.612 -7.242 1.00 0.24 O ATOM 281 CB GLU A 18 -11.652 -11.116 -7.424 1.00 0.23 C ATOM 282 CG GLU A 18 -13.160 -11.285 -7.362 1.00 1.25 C ATOM 283 CD GLU A 18 -13.874 -10.530 -8.466 1.00 1.71 C ATOM 284 OE1 GLU A 18 -13.999 -11.083 -9.579 1.00 2.02 O ATOM 285 OE2 GLU A 18 -14.307 -9.385 -8.218 1.00 2.47 O ATOM 0 H GLU A 18 -11.692 -10.445 -5.027 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.203 -12.930 -6.380 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -11.410 -10.056 -7.343 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.297 -11.451 -8.399 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -13.407 -12.344 -7.432 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -13.522 -10.937 -6.395 1.00 1.25 H new ATOM 292 N ASN A 19 -8.800 -10.749 -5.970 1.00 0.19 N ATOM 293 CA ASN A 19 -7.366 -10.509 -6.090 1.00 0.19 C ATOM 294 C ASN A 19 -6.555 -11.704 -5.593 1.00 0.21 C ATOM 295 O ASN A 19 -5.422 -11.916 -6.017 1.00 0.22 O ATOM 296 CB ASN A 19 -6.970 -9.259 -5.300 1.00 0.17 C ATOM 297 CG ASN A 19 -5.548 -9.347 -4.793 1.00 0.16 C ATOM 298 OD1 ASN A 19 -4.616 -8.842 -5.421 1.00 0.22 O ATOM 299 ND2 ASN A 19 -5.376 -10.008 -3.654 1.00 0.18 N ATOM 0 H ASN A 19 -9.292 -10.058 -5.403 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.145 -10.360 -7.147 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.077 -8.379 -5.934 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.650 -9.130 -4.458 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.440 -10.115 -3.263 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -6.180 -10.409 -3.170 1.00 0.18 H new ATOM 306 N LYS A 20 -7.141 -12.471 -4.684 1.00 0.23 N ATOM 307 CA LYS A 20 -6.483 -13.645 -4.115 1.00 0.26 C ATOM 308 C LYS A 20 -5.893 -14.547 -5.199 1.00 0.27 C ATOM 309 O LYS A 20 -5.019 -15.370 -4.925 1.00 0.29 O ATOM 310 CB LYS A 20 -7.478 -14.433 -3.268 1.00 0.29 C ATOM 311 CG LYS A 20 -7.968 -13.671 -2.044 1.00 1.04 C ATOM 312 CD LYS A 20 -9.148 -14.367 -1.381 1.00 1.41 C ATOM 313 CE LYS A 20 -8.809 -15.798 -0.997 1.00 1.75 C ATOM 314 NZ LYS A 20 -7.755 -15.857 0.054 1.00 2.45 N ATOM 0 H LYS A 20 -8.079 -12.301 -4.321 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.660 -13.297 -3.491 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.335 -14.704 -3.885 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.011 -15.364 -2.945 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -7.153 -13.573 -1.326 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.258 -12.662 -2.336 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -9.446 -13.812 -0.492 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -10.001 -14.364 -2.059 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -9.708 -16.300 -0.638 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -8.472 -16.341 -1.880 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -7.613 -16.844 0.348 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -6.864 -15.477 -0.326 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -8.051 -15.291 0.874 1.00 2.45 H new ATOM 328 N ASN A 21 -6.375 -14.384 -6.424 1.00 0.27 N ATOM 329 CA ASN A 21 -5.923 -15.202 -7.545 1.00 0.30 C ATOM 330 C ASN A 21 -4.474 -14.906 -7.928 1.00 0.28 C ATOM 331 O ASN A 21 -3.759 -15.796 -8.390 1.00 0.31 O ATOM 332 CB ASN A 21 -6.837 -14.984 -8.749 1.00 0.33 C ATOM 333 CG ASN A 21 -8.244 -15.480 -8.488 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.914 -15.983 -9.390 1.00 0.40 O ATOM 335 ND2 ASN A 21 -8.705 -15.333 -7.251 1.00 0.34 N ATOM 0 H ASN A 21 -7.082 -13.690 -6.669 1.00 0.27 H new ATOM 0 HA ASN A 21 -5.970 -16.244 -7.230 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.866 -13.923 -8.995 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.425 -15.501 -9.616 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -9.649 -15.642 -7.018 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -8.115 -14.911 -6.534 1.00 0.34 H new ATOM 342 N LYS A 22 -4.046 -13.658 -7.746 1.00 0.25 N ATOM 343 CA LYS A 22 -2.676 -13.268 -8.078 1.00 0.24 C ATOM 344 C LYS A 22 -1.670 -14.200 -7.397 1.00 0.24 C ATOM 345 O LYS A 22 -1.640 -14.291 -6.173 1.00 0.23 O ATOM 346 CB LYS A 22 -2.408 -11.820 -7.647 1.00 0.26 C ATOM 347 CG LYS A 22 -3.472 -10.817 -8.085 1.00 0.41 C ATOM 348 CD LYS A 22 -4.035 -11.135 -9.462 1.00 1.16 C ATOM 349 CE LYS A 22 -4.890 -9.995 -9.991 1.00 1.03 C ATOM 350 NZ LYS A 22 -5.996 -9.651 -9.055 1.00 1.40 N ATOM 0 H LYS A 22 -4.623 -12.904 -7.373 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.557 -13.346 -9.159 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -2.323 -11.788 -6.561 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.445 -11.507 -8.051 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -4.283 -10.810 -7.357 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -3.042 -9.815 -8.093 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -3.216 -11.329 -10.155 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -4.632 -12.046 -9.411 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -4.265 -9.117 -10.153 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -5.307 -10.272 -10.959 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -6.515 -8.826 -9.419 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -6.645 -10.459 -8.973 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -5.602 -9.427 -8.119 1.00 1.40 H new ATOM 364 N PRO A 23 -0.837 -14.916 -8.176 1.00 0.29 N ATOM 365 CA PRO A 23 0.165 -15.829 -7.616 1.00 0.33 C ATOM 366 C PRO A 23 1.129 -15.120 -6.671 1.00 0.33 C ATOM 367 O PRO A 23 1.503 -13.971 -6.900 1.00 0.34 O ATOM 368 CB PRO A 23 0.910 -16.358 -8.847 1.00 0.42 C ATOM 369 CG PRO A 23 -0.023 -16.136 -9.988 1.00 0.65 C ATOM 370 CD PRO A 23 -0.798 -14.895 -9.650 1.00 0.35 C ATOM 0 HA PRO A 23 -0.296 -16.615 -7.018 1.00 0.33 H new ATOM 0 HB2 PRO A 23 1.850 -15.828 -8.997 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.154 -17.415 -8.737 1.00 0.42 H new ATOM 0 HG2 PRO A 23 0.525 -16.012 -10.922 1.00 0.65 H new ATOM 0 HG3 PRO A 23 -0.689 -16.989 -10.120 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.307 -13.998 -10.027 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.799 -14.915 -10.080 1.00 0.35 H new ATOM 378 N GLY A 24 1.532 -15.813 -5.610 1.00 0.34 N ATOM 379 CA GLY A 24 2.462 -15.238 -4.654 1.00 0.37 C ATOM 380 C GLY A 24 1.788 -14.446 -3.547 1.00 0.33 C ATOM 381 O GLY A 24 2.468 -13.861 -2.703 1.00 0.36 O ATOM 0 H GLY A 24 1.231 -16.764 -5.395 1.00 0.34 H new ATOM 0 HA2 GLY A 24 3.052 -16.039 -4.208 1.00 0.37 H new ATOM 0 HA3 GLY A 24 3.157 -14.586 -5.183 1.00 0.37 H new ATOM 385 N VAL A 25 0.457 -14.420 -3.542 1.00 0.29 N ATOM 386 CA VAL A 25 -0.279 -13.697 -2.507 1.00 0.29 C ATOM 387 C VAL A 25 0.057 -14.252 -1.127 1.00 0.26 C ATOM 388 O VAL A 25 -0.152 -15.434 -0.854 1.00 0.31 O ATOM 389 CB VAL A 25 -1.805 -13.758 -2.737 1.00 0.35 C ATOM 390 CG1 VAL A 25 -2.566 -13.480 -1.447 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.216 -12.765 -3.812 1.00 0.81 C ATOM 0 H VAL A 25 -0.129 -14.886 -4.235 1.00 0.29 H new ATOM 0 HA VAL A 25 0.028 -12.653 -2.563 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.056 -14.765 -3.069 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -3.638 -13.529 -1.639 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.297 -14.225 -0.698 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -2.309 -12.487 -1.080 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.294 -12.819 -3.964 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -1.943 -11.757 -3.500 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -1.706 -13.006 -4.744 1.00 0.81 H new ATOM 401 N VAL A 26 0.578 -13.390 -0.260 1.00 0.24 N ATOM 402 CA VAL A 26 0.955 -13.795 1.087 1.00 0.27 C ATOM 403 C VAL A 26 0.377 -12.846 2.130 1.00 0.25 C ATOM 404 O VAL A 26 0.455 -11.625 1.987 1.00 0.25 O ATOM 405 CB VAL A 26 2.487 -13.846 1.236 1.00 0.31 C ATOM 406 CG1 VAL A 26 3.094 -12.487 0.933 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.879 -14.314 2.629 1.00 1.03 C ATOM 0 H VAL A 26 0.748 -12.406 -0.468 1.00 0.24 H new ATOM 0 HA VAL A 26 0.545 -14.792 1.252 1.00 0.27 H new ATOM 0 HB VAL A 26 2.879 -14.566 0.517 1.00 0.31 H new ATOM 0 HG11 VAL A 26 4.177 -12.540 1.043 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.846 -12.197 -0.088 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.695 -11.747 1.627 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.966 -14.342 2.711 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.477 -13.624 3.371 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.476 -15.311 2.805 1.00 1.03 H new ATOM 417 N VAL A 27 -0.210 -13.414 3.176 1.00 0.29 N ATOM 418 CA VAL A 27 -0.794 -12.620 4.247 1.00 0.29 C ATOM 419 C VAL A 27 0.220 -12.390 5.364 1.00 0.31 C ATOM 420 O VAL A 27 0.949 -13.303 5.753 1.00 0.35 O ATOM 421 CB VAL A 27 -2.052 -13.298 4.829 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.716 -14.678 5.373 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.680 -12.428 5.908 1.00 0.91 C ATOM 0 H VAL A 27 -0.294 -14.422 3.305 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.082 -11.660 3.818 1.00 0.29 H new ATOM 0 HB VAL A 27 -2.779 -13.419 4.025 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.617 -15.138 5.779 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.321 -15.300 4.569 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -0.969 -14.586 6.161 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.566 -12.924 6.306 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.961 -12.270 6.712 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.964 -11.466 5.481 1.00 0.91 H new ATOM 433 N LEU A 28 0.267 -11.163 5.871 1.00 0.32 N ATOM 434 CA LEU A 28 1.193 -10.815 6.941 1.00 0.36 C ATOM 435 C LEU A 28 0.476 -10.788 8.290 1.00 0.40 C ATOM 436 O LEU A 28 -0.752 -10.750 8.338 1.00 0.38 O ATOM 437 CB LEU A 28 1.849 -9.458 6.659 1.00 0.35 C ATOM 438 CG LEU A 28 2.647 -9.370 5.354 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.440 -8.072 5.305 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.581 -10.564 5.206 1.00 0.38 C ATOM 0 H LEU A 28 -0.325 -10.394 5.558 1.00 0.32 H new ATOM 0 HA LEU A 28 1.971 -11.578 6.982 1.00 0.36 H new ATOM 0 HB2 LEU A 28 1.071 -8.695 6.641 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.514 -9.216 7.488 1.00 0.35 H new ATOM 0 HG LEU A 28 1.941 -9.383 4.523 1.00 0.33 H new ATOM 0 HD11 LEU A 28 4.002 -8.024 4.372 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.756 -7.225 5.361 1.00 0.37 H new ATOM 0 HD13 LEU A 28 4.131 -8.036 6.147 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.136 -10.478 4.272 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.279 -10.585 6.043 1.00 0.38 H new ATOM 0 HD23 LEU A 28 2.997 -11.484 5.198 1.00 0.38 H new ATOM 452 N PRO A 29 1.227 -10.832 9.407 1.00 0.46 N ATOM 453 CA PRO A 29 0.635 -10.801 10.747 1.00 0.51 C ATOM 454 C PRO A 29 -0.307 -9.615 10.937 1.00 0.47 C ATOM 455 O PRO A 29 -1.281 -9.696 11.685 1.00 0.49 O ATOM 456 CB PRO A 29 1.848 -10.674 11.673 1.00 0.59 C ATOM 457 CG PRO A 29 2.978 -11.256 10.897 1.00 0.59 C ATOM 458 CD PRO A 29 2.701 -10.929 9.457 1.00 0.50 C ATOM 0 HA PRO A 29 0.026 -11.684 10.942 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.041 -9.633 11.933 1.00 0.59 H new ATOM 0 HB3 PRO A 29 1.691 -11.212 12.608 1.00 0.59 H new ATOM 0 HG2 PRO A 29 3.930 -10.833 11.217 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.041 -12.334 11.048 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.176 -9.994 9.158 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.076 -11.705 8.789 1.00 0.50 H new ATOM 466 N SER A 30 -0.014 -8.516 10.246 1.00 0.43 N ATOM 467 CA SER A 30 -0.832 -7.311 10.344 1.00 0.41 C ATOM 468 C SER A 30 -2.034 -7.371 9.404 1.00 0.36 C ATOM 469 O SER A 30 -2.927 -6.529 9.485 1.00 0.36 O ATOM 470 CB SER A 30 0.007 -6.068 10.039 1.00 0.43 C ATOM 471 OG SER A 30 -0.804 -4.907 9.978 1.00 1.14 O ATOM 0 H SER A 30 0.782 -8.435 9.614 1.00 0.43 H new ATOM 0 HA SER A 30 -1.205 -7.250 11.366 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.770 -5.943 10.808 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.529 -6.201 9.091 1.00 0.43 H new ATOM 0 HG SER A 30 -1.739 -5.168 9.841 1.00 1.14 H new ATOM 477 N GLY A 31 -2.058 -8.360 8.513 1.00 0.34 N ATOM 478 CA GLY A 31 -3.174 -8.492 7.592 1.00 0.31 C ATOM 479 C GLY A 31 -2.844 -7.989 6.202 1.00 0.27 C ATOM 480 O GLY A 31 -3.741 -7.765 5.387 1.00 0.30 O ATOM 0 H GLY A 31 -1.330 -9.067 8.413 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.471 -9.539 7.535 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -4.029 -7.939 7.981 1.00 0.31 H new ATOM 484 N LEU A 32 -1.558 -7.812 5.929 1.00 0.25 N ATOM 485 CA LEU A 32 -1.114 -7.300 4.640 1.00 0.25 C ATOM 486 C LEU A 32 -1.078 -8.387 3.575 1.00 0.22 C ATOM 487 O LEU A 32 -0.570 -9.485 3.801 1.00 0.23 O ATOM 488 CB LEU A 32 0.279 -6.688 4.776 1.00 0.35 C ATOM 489 CG LEU A 32 0.326 -5.298 5.404 1.00 0.44 C ATOM 490 CD1 LEU A 32 -0.141 -4.251 4.409 1.00 1.19 C ATOM 491 CD2 LEU A 32 -0.522 -5.251 6.663 1.00 1.35 C ATOM 0 H LEU A 32 -0.803 -8.016 6.584 1.00 0.25 H new ATOM 0 HA LEU A 32 -1.833 -6.542 4.327 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.895 -7.359 5.374 1.00 0.35 H new ATOM 0 HB3 LEU A 32 0.733 -6.636 3.786 1.00 0.35 H new ATOM 0 HG LEU A 32 1.358 -5.079 5.678 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.101 -3.265 4.873 1.00 1.19 H new ATOM 0 HD12 LEU A 32 0.508 -4.266 3.533 1.00 1.19 H new ATOM 0 HD13 LEU A 32 -1.165 -4.468 4.106 1.00 1.19 H new ATOM 0 HD21 LEU A 32 -0.475 -4.252 7.096 1.00 1.35 H new ATOM 0 HD22 LEU A 32 -1.556 -5.491 6.415 1.00 1.35 H new ATOM 0 HD23 LEU A 32 -0.144 -5.976 7.383 1.00 1.35 H new ATOM 503 N GLN A 33 -1.622 -8.061 2.416 1.00 0.23 N ATOM 504 CA GLN A 33 -1.635 -8.970 1.280 1.00 0.22 C ATOM 505 C GLN A 33 -1.029 -8.270 0.073 1.00 0.21 C ATOM 506 O GLN A 33 -1.304 -7.094 -0.168 1.00 0.21 O ATOM 507 CB GLN A 33 -3.061 -9.421 0.973 1.00 0.26 C ATOM 508 CG GLN A 33 -3.716 -10.180 2.115 1.00 0.33 C ATOM 509 CD GLN A 33 -5.073 -10.745 1.740 1.00 0.98 C ATOM 510 OE1 GLN A 33 -5.963 -10.861 2.582 1.00 1.75 O ATOM 511 NE2 GLN A 33 -5.236 -11.105 0.472 1.00 1.69 N ATOM 0 H GLN A 33 -2.067 -7.161 2.234 1.00 0.23 H new ATOM 0 HA GLN A 33 -1.045 -9.855 1.519 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.667 -8.547 0.734 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -3.050 -10.054 0.086 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -3.062 -10.994 2.427 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.828 -9.515 2.971 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.471 -10.991 -0.193 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -6.126 -11.495 0.163 1.00 1.69 H new ATOM 520 N TYR A 34 -0.207 -8.981 -0.688 1.00 0.20 N ATOM 521 CA TYR A 34 0.438 -8.377 -1.851 1.00 0.19 C ATOM 522 C TYR A 34 0.947 -9.418 -2.836 1.00 0.18 C ATOM 523 O TYR A 34 0.892 -10.620 -2.580 1.00 0.19 O ATOM 524 CB TYR A 34 1.601 -7.498 -1.396 1.00 0.19 C ATOM 525 CG TYR A 34 2.588 -8.207 -0.498 1.00 0.19 C ATOM 526 CD1 TYR A 34 3.683 -8.881 -1.025 1.00 0.25 C ATOM 527 CD2 TYR A 34 2.426 -8.201 0.881 1.00 0.31 C ATOM 528 CE1 TYR A 34 4.584 -9.527 -0.204 1.00 0.30 C ATOM 529 CE2 TYR A 34 3.322 -8.844 1.707 1.00 0.32 C ATOM 530 CZ TYR A 34 4.399 -9.506 1.162 1.00 0.26 C ATOM 531 OH TYR A 34 5.297 -10.149 1.984 1.00 0.31 O ATOM 0 H TYR A 34 0.028 -9.961 -0.527 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.314 -7.777 -2.364 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.127 -7.125 -2.275 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.204 -6.630 -0.870 1.00 0.19 H new ATOM 0 HD1 TYR A 34 3.831 -8.899 -2.095 1.00 0.25 H new ATOM 0 HD2 TYR A 34 1.583 -7.683 1.314 1.00 0.31 H new ATOM 0 HE1 TYR A 34 5.430 -10.047 -0.629 1.00 0.30 H new ATOM 0 HE2 TYR A 34 3.180 -8.829 2.778 1.00 0.32 H new ATOM 0 HH TYR A 34 6.179 -9.730 1.896 1.00 0.31 H new ATOM 541 N LYS A 35 1.448 -8.930 -3.967 1.00 0.18 N ATOM 542 CA LYS A 35 2.008 -9.798 -4.997 1.00 0.20 C ATOM 543 C LYS A 35 3.460 -9.405 -5.253 1.00 0.18 C ATOM 544 O LYS A 35 3.751 -8.289 -5.683 1.00 0.19 O ATOM 545 CB LYS A 35 1.193 -9.697 -6.290 1.00 0.27 C ATOM 546 CG LYS A 35 1.332 -10.911 -7.199 1.00 0.35 C ATOM 547 CD LYS A 35 2.646 -10.906 -7.967 1.00 0.99 C ATOM 548 CE LYS A 35 2.700 -9.769 -8.979 1.00 1.58 C ATOM 549 NZ LYS A 35 3.968 -9.778 -9.760 1.00 2.15 N ATOM 0 H LYS A 35 1.477 -7.936 -4.193 1.00 0.18 H new ATOM 0 HA LYS A 35 1.968 -10.831 -4.653 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.141 -9.563 -6.036 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.505 -8.807 -6.837 1.00 0.27 H new ATOM 0 HG2 LYS A 35 1.266 -11.820 -6.601 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.501 -10.932 -7.904 1.00 0.35 H new ATOM 0 HD2 LYS A 35 3.476 -10.811 -7.267 1.00 0.99 H new ATOM 0 HD3 LYS A 35 2.771 -11.858 -8.482 1.00 0.99 H new ATOM 0 HE2 LYS A 35 1.853 -9.850 -9.661 1.00 1.58 H new ATOM 0 HE3 LYS A 35 2.601 -8.816 -8.459 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 3.929 -9.042 -10.494 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 4.769 -9.590 -9.124 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 4.093 -10.708 -10.209 1.00 2.15 H new ATOM 563 N VAL A 36 4.365 -10.340 -4.982 1.00 0.19 N ATOM 564 CA VAL A 36 5.795 -10.106 -5.137 1.00 0.19 C ATOM 565 C VAL A 36 6.237 -10.049 -6.596 1.00 0.22 C ATOM 566 O VAL A 36 5.982 -10.967 -7.375 1.00 0.28 O ATOM 567 CB VAL A 36 6.609 -11.195 -4.416 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.102 -10.982 -4.626 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.267 -11.215 -2.935 1.00 0.30 C ATOM 0 H VAL A 36 4.129 -11.275 -4.651 1.00 0.19 H new ATOM 0 HA VAL A 36 5.986 -9.131 -4.689 1.00 0.19 H new ATOM 0 HB VAL A 36 6.346 -12.163 -4.843 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.657 -11.763 -4.107 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.329 -11.022 -5.691 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.390 -10.008 -4.230 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.850 -11.990 -2.437 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.501 -10.246 -2.494 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.205 -11.424 -2.810 1.00 0.30 H new ATOM 579 N ILE A 37 6.902 -8.952 -6.948 1.00 0.22 N ATOM 580 CA ILE A 37 7.425 -8.765 -8.296 1.00 0.26 C ATOM 581 C ILE A 37 8.930 -9.032 -8.318 1.00 0.25 C ATOM 582 O ILE A 37 9.393 -9.968 -8.970 1.00 0.30 O ATOM 583 CB ILE A 37 7.153 -7.340 -8.818 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.657 -7.022 -8.731 1.00 0.31 C ATOM 585 CG2 ILE A 37 7.654 -7.195 -10.249 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.321 -5.582 -9.053 1.00 0.65 C ATOM 0 H ILE A 37 7.092 -8.176 -6.314 1.00 0.22 H new ATOM 0 HA ILE A 37 6.913 -9.473 -8.947 1.00 0.26 H new ATOM 0 HB ILE A 37 7.693 -6.628 -8.194 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.116 -7.674 -9.416 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.304 -7.252 -7.726 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.455 -6.184 -10.604 1.00 0.37 H new ATOM 0 HG22 ILE A 37 8.727 -7.386 -10.280 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.139 -7.912 -10.889 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.244 -5.432 -8.971 1.00 0.65 H new ATOM 0 HD12 ILE A 37 5.834 -4.923 -8.352 1.00 0.65 H new ATOM 0 HD13 ILE A 37 5.643 -5.352 -10.069 1.00 0.65 H new ATOM 598 N ASN A 38 9.690 -8.202 -7.600 1.00 0.21 N ATOM 599 CA ASN A 38 11.138 -8.360 -7.520 1.00 0.22 C ATOM 600 C ASN A 38 11.619 -8.098 -6.094 1.00 0.29 C ATOM 601 O ASN A 38 11.950 -6.969 -5.740 1.00 0.44 O ATOM 602 CB ASN A 38 11.825 -7.402 -8.496 1.00 0.31 C ATOM 603 CG ASN A 38 13.333 -7.553 -8.491 1.00 0.40 C ATOM 604 OD1 ASN A 38 13.887 -8.391 -9.201 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.005 -6.733 -7.692 1.00 0.56 N ATOM 0 H ASN A 38 9.323 -7.414 -7.066 1.00 0.21 H new ATOM 0 HA ASN A 38 11.397 -9.383 -7.792 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.448 -7.582 -9.503 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.565 -6.376 -8.237 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.023 -6.783 -7.650 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.503 -6.053 -7.121 1.00 0.56 H new ATOM 612 N SER A 39 11.654 -9.153 -5.280 1.00 0.28 N ATOM 613 CA SER A 39 12.068 -9.035 -3.882 1.00 0.37 C ATOM 614 C SER A 39 13.468 -9.592 -3.643 1.00 0.29 C ATOM 615 O SER A 39 13.884 -10.561 -4.279 1.00 0.33 O ATOM 616 CB SER A 39 11.073 -9.764 -2.983 1.00 0.58 C ATOM 617 OG SER A 39 11.391 -9.580 -1.615 1.00 1.50 O ATOM 0 H SER A 39 11.401 -10.099 -5.565 1.00 0.28 H new ATOM 0 HA SER A 39 12.088 -7.972 -3.640 1.00 0.37 H new ATOM 0 HB2 SER A 39 10.065 -9.397 -3.178 1.00 0.58 H new ATOM 0 HB3 SER A 39 11.076 -10.828 -3.220 1.00 0.58 H new ATOM 0 HG SER A 39 10.572 -9.390 -1.111 1.00 1.50 H new ATOM 623 N GLY A 40 14.188 -8.965 -2.714 1.00 0.34 N ATOM 624 CA GLY A 40 15.529 -9.407 -2.377 1.00 0.36 C ATOM 625 C GLY A 40 16.593 -8.790 -3.260 1.00 0.50 C ATOM 626 O GLY A 40 16.866 -9.290 -4.351 1.00 1.09 O ATOM 0 H GLY A 40 13.863 -8.154 -2.187 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.738 -9.157 -1.337 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.580 -10.493 -2.460 1.00 0.36 H new ATOM 630 N ASN A 41 17.197 -7.705 -2.785 1.00 0.42 N ATOM 631 CA ASN A 41 18.240 -7.026 -3.543 1.00 0.47 C ATOM 632 C ASN A 41 19.245 -6.330 -2.623 1.00 0.37 C ATOM 633 O ASN A 41 20.300 -6.885 -2.316 1.00 0.36 O ATOM 634 CB ASN A 41 17.620 -6.015 -4.519 1.00 0.60 C ATOM 635 CG ASN A 41 16.710 -6.672 -5.536 1.00 0.82 C ATOM 636 OD1 ASN A 41 17.157 -7.112 -6.595 1.00 1.70 O ATOM 637 ND2 ASN A 41 15.422 -6.735 -5.219 1.00 0.66 N ATOM 0 H ASN A 41 16.983 -7.279 -1.883 1.00 0.42 H new ATOM 0 HA ASN A 41 18.781 -7.783 -4.111 1.00 0.47 H new ATOM 0 HB2 ASN A 41 17.054 -5.272 -3.957 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.416 -5.482 -5.039 1.00 0.60 H new ATOM 0 HD21 ASN A 41 14.758 -7.162 -5.865 1.00 0.66 H new ATOM 0 HD22 ASN A 41 15.097 -6.357 -4.329 1.00 0.66 H new ATOM 644 N GLY A 42 18.912 -5.118 -2.184 1.00 0.35 N ATOM 645 CA GLY A 42 19.809 -4.357 -1.330 1.00 0.33 C ATOM 646 C GLY A 42 19.585 -4.569 0.158 1.00 0.33 C ATOM 647 O GLY A 42 18.686 -5.299 0.574 1.00 0.34 O ATOM 0 H GLY A 42 18.034 -4.648 -2.406 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.837 -4.625 -1.573 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.694 -3.297 -1.555 1.00 0.33 H new ATOM 651 N VAL A 43 20.428 -3.909 0.948 1.00 0.32 N ATOM 652 CA VAL A 43 20.374 -3.954 2.407 1.00 0.32 C ATOM 653 C VAL A 43 19.484 -2.832 2.922 1.00 0.29 C ATOM 654 O VAL A 43 18.990 -2.032 2.129 1.00 0.28 O ATOM 655 CB VAL A 43 21.782 -3.828 3.028 1.00 0.36 C ATOM 656 CG1 VAL A 43 22.308 -2.407 2.900 1.00 1.36 C ATOM 657 CG2 VAL A 43 21.791 -4.282 4.482 1.00 1.42 C ATOM 0 H VAL A 43 21.178 -3.320 0.588 1.00 0.32 H new ATOM 0 HA VAL A 43 19.961 -4.919 2.700 1.00 0.32 H new ATOM 0 HB VAL A 43 22.448 -4.488 2.471 1.00 0.36 H new ATOM 0 HG11 VAL A 43 23.301 -2.345 3.345 1.00 1.36 H new ATOM 0 HG12 VAL A 43 22.365 -2.134 1.846 1.00 1.36 H new ATOM 0 HG13 VAL A 43 21.636 -1.722 3.417 1.00 1.36 H new ATOM 0 HG21 VAL A 43 22.797 -4.180 4.889 1.00 1.42 H new ATOM 0 HG22 VAL A 43 21.102 -3.666 5.060 1.00 1.42 H new ATOM 0 HG23 VAL A 43 21.480 -5.325 4.539 1.00 1.42 H new ATOM 667 N LYS A 44 19.308 -2.762 4.242 1.00 0.29 N ATOM 668 CA LYS A 44 18.466 -1.730 4.864 1.00 0.28 C ATOM 669 C LYS A 44 18.134 -2.043 6.330 1.00 0.29 C ATOM 670 O LYS A 44 18.186 -3.192 6.770 1.00 0.32 O ATOM 671 CB LYS A 44 17.134 -1.582 4.111 1.00 0.29 C ATOM 672 CG LYS A 44 16.205 -2.775 4.283 1.00 0.39 C ATOM 673 CD LYS A 44 14.759 -2.403 4.001 1.00 1.17 C ATOM 674 CE LYS A 44 13.796 -3.316 4.744 1.00 1.63 C ATOM 675 NZ LYS A 44 14.007 -4.749 4.403 1.00 2.18 N ATOM 0 H LYS A 44 19.737 -3.407 4.905 1.00 0.29 H new ATOM 0 HA LYS A 44 19.046 -0.809 4.816 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.626 -0.683 4.460 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.339 -1.441 3.050 1.00 0.29 H new ATOM 0 HG2 LYS A 44 16.513 -3.576 3.611 1.00 0.39 H new ATOM 0 HG3 LYS A 44 16.291 -3.160 5.299 1.00 0.39 H new ATOM 0 HD2 LYS A 44 14.584 -1.369 4.297 1.00 1.17 H new ATOM 0 HD3 LYS A 44 14.568 -2.465 2.930 1.00 1.17 H new ATOM 0 HE2 LYS A 44 13.921 -3.177 5.818 1.00 1.63 H new ATOM 0 HE3 LYS A 44 12.771 -3.034 4.503 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 14.014 -5.316 5.275 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 13.238 -5.076 3.784 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 14.917 -4.859 3.911 1.00 2.18 H new ATOM 689 N PRO A 45 17.789 -0.979 7.092 1.00 0.29 N ATOM 690 CA PRO A 45 17.438 -1.040 8.513 1.00 0.30 C ATOM 691 C PRO A 45 15.969 -1.377 8.771 1.00 0.30 C ATOM 692 O PRO A 45 15.159 -1.462 7.848 1.00 0.29 O ATOM 693 CB PRO A 45 17.748 0.371 9.037 1.00 0.27 C ATOM 694 CG PRO A 45 18.158 1.183 7.848 1.00 0.30 C ATOM 695 CD PRO A 45 17.744 0.413 6.628 1.00 0.30 C ATOM 0 HA PRO A 45 17.996 -1.835 9.008 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.874 0.806 9.522 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.544 0.343 9.781 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.680 2.163 7.866 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.235 1.353 7.850 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.747 0.695 6.291 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.423 0.583 5.792 1.00 0.30 H new ATOM 703 N GLY A 46 15.652 -1.566 10.049 1.00 0.32 N ATOM 704 CA GLY A 46 14.300 -1.895 10.475 1.00 0.35 C ATOM 705 C GLY A 46 13.345 -0.736 10.259 1.00 0.33 C ATOM 706 O GLY A 46 13.705 0.231 9.607 1.00 0.28 O ATOM 0 H GLY A 46 16.324 -1.495 10.813 1.00 0.32 H new ATOM 0 HA2 GLY A 46 13.946 -2.766 9.923 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.307 -2.168 11.530 1.00 0.35 H new ATOM 710 N LYS A 47 12.116 -0.859 10.769 1.00 0.37 N ATOM 711 CA LYS A 47 11.071 0.166 10.591 1.00 0.37 C ATOM 712 C LYS A 47 11.584 1.608 10.730 1.00 0.34 C ATOM 713 O LYS A 47 10.899 2.545 10.321 1.00 0.35 O ATOM 714 CB LYS A 47 9.946 -0.060 11.603 1.00 0.44 C ATOM 715 CG LYS A 47 9.331 -1.448 11.534 1.00 0.99 C ATOM 716 CD LYS A 47 8.293 -1.655 12.629 1.00 0.94 C ATOM 717 CE LYS A 47 7.065 -0.784 12.413 1.00 1.85 C ATOM 718 NZ LYS A 47 6.057 -0.968 13.493 1.00 2.35 N ATOM 0 H LYS A 47 11.814 -1.666 11.315 1.00 0.37 H new ATOM 0 HA LYS A 47 10.711 0.054 9.568 1.00 0.37 H new ATOM 0 HB2 LYS A 47 10.335 0.106 12.608 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.165 0.682 11.437 1.00 0.44 H new ATOM 0 HG2 LYS A 47 8.866 -1.593 10.559 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.115 -2.199 11.628 1.00 0.99 H new ATOM 0 HD2 LYS A 47 7.995 -2.703 12.655 1.00 0.94 H new ATOM 0 HD3 LYS A 47 8.736 -1.425 13.598 1.00 0.94 H new ATOM 0 HE2 LYS A 47 7.365 0.263 12.371 1.00 1.85 H new ATOM 0 HE3 LYS A 47 6.614 -1.025 11.450 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 5.236 -0.357 13.309 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 5.751 -1.962 13.517 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 6.479 -0.714 14.409 1.00 2.35 H new ATOM 732 N SER A 48 12.771 1.795 11.292 1.00 0.31 N ATOM 733 CA SER A 48 13.337 3.137 11.432 1.00 0.31 C ATOM 734 C SER A 48 14.081 3.518 10.152 1.00 0.27 C ATOM 735 O SER A 48 14.763 4.541 10.084 1.00 0.29 O ATOM 736 CB SER A 48 14.283 3.198 12.634 1.00 0.32 C ATOM 737 OG SER A 48 13.604 2.875 13.835 1.00 1.45 O ATOM 0 H SER A 48 13.358 1.045 11.656 1.00 0.31 H new ATOM 0 HA SER A 48 12.526 3.846 11.599 1.00 0.31 H new ATOM 0 HB2 SER A 48 15.112 2.506 12.484 1.00 0.32 H new ATOM 0 HB3 SER A 48 14.712 4.197 12.713 1.00 0.32 H new ATOM 0 HG SER A 48 14.231 2.920 14.587 1.00 1.45 H new ATOM 743 N ASP A 49 13.931 2.664 9.145 1.00 0.25 N ATOM 744 CA ASP A 49 14.571 2.831 7.845 1.00 0.24 C ATOM 745 C ASP A 49 13.993 4.005 7.061 1.00 0.23 C ATOM 746 O ASP A 49 12.823 4.357 7.216 1.00 0.29 O ATOM 747 CB ASP A 49 14.405 1.535 7.044 1.00 0.26 C ATOM 748 CG ASP A 49 14.221 1.768 5.557 1.00 0.74 C ATOM 749 OD1 ASP A 49 13.116 2.181 5.156 1.00 0.53 O ATOM 750 OD2 ASP A 49 15.187 1.550 4.794 1.00 1.73 O ATOM 0 H ASP A 49 13.354 1.825 9.210 1.00 0.25 H new ATOM 0 HA ASP A 49 15.626 3.048 8.011 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.281 0.905 7.200 1.00 0.26 H new ATOM 0 HB3 ASP A 49 13.545 0.986 7.428 1.00 0.26 H new ATOM 755 N THR A 50 14.830 4.602 6.213 1.00 0.26 N ATOM 756 CA THR A 50 14.421 5.719 5.376 1.00 0.28 C ATOM 757 C THR A 50 14.759 5.409 3.925 1.00 0.33 C ATOM 758 O THR A 50 15.925 5.200 3.591 1.00 0.44 O ATOM 759 CB THR A 50 15.115 7.029 5.796 1.00 0.36 C ATOM 760 OG1 THR A 50 14.879 7.284 7.186 1.00 0.39 O ATOM 761 CG2 THR A 50 14.610 8.201 4.969 1.00 0.42 C ATOM 0 H THR A 50 15.804 4.324 6.090 1.00 0.26 H new ATOM 0 HA THR A 50 13.346 5.856 5.495 1.00 0.28 H new ATOM 0 HB THR A 50 16.185 6.918 5.622 1.00 0.36 H new ATOM 0 HG1 THR A 50 15.325 8.117 7.446 1.00 0.39 H new ATOM 0 HG21 THR A 50 15.115 9.114 5.285 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.817 8.018 3.915 1.00 0.42 H new ATOM 0 HG23 THR A 50 13.535 8.312 5.114 1.00 0.42 H new ATOM 769 N VAL A 51 13.751 5.374 3.064 1.00 0.29 N ATOM 770 CA VAL A 51 13.979 5.059 1.660 1.00 0.37 C ATOM 771 C VAL A 51 13.263 6.025 0.730 1.00 0.30 C ATOM 772 O VAL A 51 12.259 6.638 1.095 1.00 0.29 O ATOM 773 CB VAL A 51 13.511 3.627 1.329 1.00 0.51 C ATOM 774 CG1 VAL A 51 14.293 2.606 2.139 1.00 0.65 C ATOM 775 CG2 VAL A 51 12.017 3.480 1.575 1.00 0.53 C ATOM 0 H VAL A 51 12.778 5.558 3.309 1.00 0.29 H new ATOM 0 HA VAL A 51 15.054 5.148 1.501 1.00 0.37 H new ATOM 0 HB VAL A 51 13.702 3.441 0.272 1.00 0.51 H new ATOM 0 HG11 VAL A 51 13.947 1.603 1.891 1.00 0.65 H new ATOM 0 HG12 VAL A 51 15.354 2.692 1.906 1.00 0.65 H new ATOM 0 HG13 VAL A 51 14.139 2.790 3.202 1.00 0.65 H new ATOM 0 HG21 VAL A 51 11.707 2.463 1.335 1.00 0.53 H new ATOM 0 HG22 VAL A 51 11.798 3.689 2.622 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.473 4.183 0.944 1.00 0.53 H new ATOM 785 N THR A 52 13.797 6.151 -0.479 1.00 0.27 N ATOM 786 CA THR A 52 13.208 7.014 -1.494 1.00 0.23 C ATOM 787 C THR A 52 12.635 6.154 -2.608 1.00 0.19 C ATOM 788 O THR A 52 13.357 5.380 -3.240 1.00 0.17 O ATOM 789 CB THR A 52 14.243 7.991 -2.083 1.00 0.26 C ATOM 790 OG1 THR A 52 14.819 8.784 -1.039 1.00 0.32 O ATOM 791 CG2 THR A 52 13.601 8.901 -3.121 1.00 0.26 C ATOM 0 H THR A 52 14.641 5.664 -0.781 1.00 0.27 H new ATOM 0 HA THR A 52 12.421 7.604 -1.023 1.00 0.23 H new ATOM 0 HB THR A 52 15.024 7.406 -2.569 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.477 9.401 -1.422 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.352 9.582 -3.522 1.00 0.26 H new ATOM 0 HG22 THR A 52 13.190 8.297 -3.930 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.801 9.477 -2.655 1.00 0.26 H new ATOM 799 N VAL A 53 11.339 6.292 -2.851 1.00 0.19 N ATOM 800 CA VAL A 53 10.675 5.500 -3.872 1.00 0.18 C ATOM 801 C VAL A 53 9.638 6.316 -4.638 1.00 0.19 C ATOM 802 O VAL A 53 9.443 7.502 -4.375 1.00 0.23 O ATOM 803 CB VAL A 53 9.979 4.266 -3.253 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.915 3.534 -2.304 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.699 4.671 -2.534 1.00 0.24 C ATOM 0 H VAL A 53 10.730 6.943 -2.356 1.00 0.19 H new ATOM 0 HA VAL A 53 11.451 5.175 -4.565 1.00 0.18 H new ATOM 0 HB VAL A 53 9.716 3.587 -4.064 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.402 2.670 -1.882 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.798 3.201 -2.849 1.00 0.22 H new ATOM 0 HG13 VAL A 53 11.216 4.206 -1.500 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.226 3.787 -2.106 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.937 5.376 -1.738 1.00 0.24 H new ATOM 0 HG23 VAL A 53 8.017 5.140 -3.243 1.00 0.24 H new ATOM 815 N GLU A 54 8.979 5.662 -5.586 1.00 0.18 N ATOM 816 CA GLU A 54 7.945 6.294 -6.396 1.00 0.20 C ATOM 817 C GLU A 54 6.745 5.362 -6.501 1.00 0.20 C ATOM 818 O GLU A 54 6.907 4.172 -6.774 1.00 0.21 O ATOM 819 CB GLU A 54 8.493 6.621 -7.789 1.00 0.24 C ATOM 820 CG GLU A 54 7.493 7.315 -8.704 1.00 1.02 C ATOM 821 CD GLU A 54 6.531 6.345 -9.361 1.00 1.76 C ATOM 822 OE1 GLU A 54 6.974 5.571 -10.235 1.00 2.09 O ATOM 823 OE2 GLU A 54 5.334 6.359 -9.003 1.00 2.40 O ATOM 0 H GLU A 54 9.145 4.682 -5.815 1.00 0.18 H new ATOM 0 HA GLU A 54 7.633 7.225 -5.923 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.372 7.256 -7.682 1.00 0.24 H new ATOM 0 HB3 GLU A 54 8.823 5.697 -8.264 1.00 0.24 H new ATOM 0 HG2 GLU A 54 6.927 8.048 -8.128 1.00 1.02 H new ATOM 0 HG3 GLU A 54 8.033 7.864 -9.476 1.00 1.02 H new ATOM 830 N TYR A 55 5.541 5.888 -6.289 1.00 0.19 N ATOM 831 CA TYR A 55 4.351 5.053 -6.362 1.00 0.20 C ATOM 832 C TYR A 55 3.171 5.792 -6.961 1.00 0.19 C ATOM 833 O TYR A 55 3.112 7.021 -6.966 1.00 0.21 O ATOM 834 CB TYR A 55 3.961 4.525 -4.976 1.00 0.21 C ATOM 835 CG TYR A 55 3.179 5.513 -4.129 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.815 6.579 -3.507 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.804 5.371 -3.949 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.107 7.479 -2.733 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.087 6.269 -3.177 1.00 0.21 C ATOM 840 CZ TYR A 55 1.745 7.320 -2.571 1.00 0.22 C ATOM 841 OH TYR A 55 1.039 8.215 -1.801 1.00 0.26 O ATOM 0 H TYR A 55 5.367 6.869 -6.070 1.00 0.19 H new ATOM 0 HA TYR A 55 4.602 4.216 -7.014 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.367 3.619 -5.099 1.00 0.21 H new ATOM 0 HB3 TYR A 55 4.867 4.242 -4.440 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.880 6.707 -3.630 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.289 4.546 -4.420 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.617 8.303 -2.257 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.021 6.148 -3.050 1.00 0.21 H new ATOM 0 HH TYR A 55 0.092 7.962 -1.790 1.00 0.26 H new ATOM 851 N THR A 56 2.235 5.008 -7.461 1.00 0.18 N ATOM 852 CA THR A 56 1.017 5.527 -8.051 1.00 0.17 C ATOM 853 C THR A 56 -0.169 4.882 -7.358 1.00 0.14 C ATOM 854 O THR A 56 -0.391 3.678 -7.484 1.00 0.15 O ATOM 855 CB THR A 56 0.944 5.244 -9.563 1.00 0.21 C ATOM 856 OG1 THR A 56 2.097 5.786 -10.218 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.315 5.847 -10.167 1.00 0.21 C ATOM 0 H THR A 56 2.299 3.990 -7.469 1.00 0.18 H new ATOM 0 HA THR A 56 1.004 6.609 -7.919 1.00 0.17 H new ATOM 0 HB THR A 56 0.916 4.164 -9.707 1.00 0.21 H new ATOM 0 HG1 THR A 56 2.059 6.765 -10.191 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.344 5.634 -11.236 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.192 5.414 -9.687 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.312 6.926 -10.012 1.00 0.21 H new ATOM 865 N GLY A 57 -0.933 5.680 -6.630 1.00 0.12 N ATOM 866 CA GLY A 57 -2.061 5.138 -5.912 1.00 0.11 C ATOM 867 C GLY A 57 -3.381 5.561 -6.497 1.00 0.10 C ATOM 868 O GLY A 57 -3.522 6.676 -7.000 1.00 0.10 O ATOM 0 H GLY A 57 -0.793 6.685 -6.525 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.999 4.050 -5.915 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -2.011 5.457 -4.871 1.00 0.11 H new ATOM 872 N ARG A 58 -4.346 4.665 -6.439 1.00 0.12 N ATOM 873 CA ARG A 58 -5.671 4.946 -6.952 1.00 0.13 C ATOM 874 C ARG A 58 -6.716 4.205 -6.138 1.00 0.15 C ATOM 875 O ARG A 58 -6.478 3.094 -5.666 1.00 0.19 O ATOM 876 CB ARG A 58 -5.760 4.539 -8.426 1.00 0.18 C ATOM 877 CG ARG A 58 -5.267 3.125 -8.697 1.00 0.90 C ATOM 878 CD ARG A 58 -6.376 2.099 -8.531 1.00 0.40 C ATOM 879 NE ARG A 58 -7.252 2.045 -9.698 1.00 1.00 N ATOM 880 CZ ARG A 58 -7.880 0.944 -10.099 1.00 0.99 C ATOM 881 NH1 ARG A 58 -7.739 -0.188 -9.420 1.00 0.89 N ATOM 882 NH2 ARG A 58 -8.651 0.973 -11.177 1.00 1.93 N ATOM 0 H ARG A 58 -4.236 3.733 -6.040 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.861 6.016 -6.871 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -6.795 4.624 -8.756 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.177 5.239 -9.024 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -4.867 3.067 -9.709 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -4.449 2.889 -8.017 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -5.937 1.116 -8.361 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -6.965 2.342 -7.647 1.00 0.40 H new ATOM 0 HE ARG A 58 -7.390 2.901 -10.236 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -7.148 -0.214 -8.589 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -8.222 -1.032 -9.729 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -8.763 1.841 -11.701 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -9.132 0.127 -11.483 1.00 1.93 H new ATOM 896 N LEU A 59 -7.877 4.818 -5.991 1.00 0.16 N ATOM 897 CA LEU A 59 -8.964 4.201 -5.253 1.00 0.19 C ATOM 898 C LEU A 59 -9.613 3.122 -6.102 1.00 0.20 C ATOM 899 O LEU A 59 -9.511 3.152 -7.328 1.00 0.22 O ATOM 900 CB LEU A 59 -10.005 5.254 -4.860 1.00 0.22 C ATOM 901 CG LEU A 59 -9.492 6.372 -3.951 1.00 0.78 C ATOM 902 CD1 LEU A 59 -10.198 7.682 -4.266 1.00 1.21 C ATOM 903 CD2 LEU A 59 -9.696 6.001 -2.489 1.00 1.07 C ATOM 0 H LEU A 59 -8.091 5.740 -6.372 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.563 3.751 -4.345 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.405 5.702 -5.769 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.834 4.753 -4.360 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.425 6.502 -4.133 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.820 8.466 -3.610 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -10.010 7.956 -5.304 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -11.270 7.564 -4.110 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -9.326 6.806 -1.854 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -10.758 5.847 -2.298 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -9.150 5.084 -2.267 1.00 1.07 H new ATOM 915 N ILE A 60 -10.270 2.163 -5.456 1.00 0.25 N ATOM 916 CA ILE A 60 -10.943 1.097 -6.183 1.00 0.28 C ATOM 917 C ILE A 60 -11.969 1.708 -7.134 1.00 0.29 C ATOM 918 O ILE A 60 -12.517 1.034 -8.006 1.00 0.32 O ATOM 919 CB ILE A 60 -11.634 0.100 -5.218 1.00 0.34 C ATOM 920 CG1 ILE A 60 -11.444 -1.347 -5.694 1.00 0.64 C ATOM 921 CG2 ILE A 60 -13.114 0.419 -5.064 1.00 0.61 C ATOM 922 CD1 ILE A 60 -11.973 -1.618 -7.088 1.00 0.52 C ATOM 0 H ILE A 60 -10.349 2.104 -4.441 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.198 0.540 -6.751 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.161 0.205 -4.242 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -10.382 -1.590 -5.667 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -11.942 -2.017 -4.992 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.571 -0.297 -4.381 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -13.229 1.426 -4.664 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.603 0.357 -6.036 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -11.799 -2.663 -7.347 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -13.043 -1.410 -7.118 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -11.458 -0.977 -7.803 1.00 0.52 H new ATOM 934 N ASP A 61 -12.212 3.002 -6.954 1.00 0.30 N ATOM 935 CA ASP A 61 -13.161 3.731 -7.783 1.00 0.36 C ATOM 936 C ASP A 61 -12.679 3.791 -9.231 1.00 0.36 C ATOM 937 O ASP A 61 -13.432 4.175 -10.128 1.00 0.42 O ATOM 938 CB ASP A 61 -13.360 5.145 -7.237 1.00 0.40 C ATOM 939 CG ASP A 61 -14.428 5.914 -7.991 1.00 1.07 C ATOM 940 OD1 ASP A 61 -15.611 5.817 -7.606 1.00 0.95 O ATOM 941 OD2 ASP A 61 -14.080 6.612 -8.966 1.00 2.01 O ATOM 0 H ASP A 61 -11.761 3.569 -6.236 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.114 3.203 -7.759 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.633 5.089 -6.183 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.417 5.689 -7.294 1.00 0.40 H new ATOM 946 N GLY A 62 -11.422 3.410 -9.453 1.00 0.31 N ATOM 947 CA GLY A 62 -10.874 3.421 -10.798 1.00 0.37 C ATOM 948 C GLY A 62 -10.198 4.730 -11.166 1.00 0.38 C ATOM 949 O GLY A 62 -9.681 4.868 -12.275 1.00 0.45 O ATOM 0 H GLY A 62 -10.777 3.095 -8.728 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.153 2.609 -10.895 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -11.675 3.222 -11.510 1.00 0.37 H new ATOM 953 N THR A 63 -10.197 5.695 -10.249 1.00 0.33 N ATOM 954 CA THR A 63 -9.598 6.989 -10.522 1.00 0.37 C ATOM 955 C THR A 63 -8.453 7.283 -9.565 1.00 0.31 C ATOM 956 O THR A 63 -8.605 7.184 -8.347 1.00 0.30 O ATOM 957 CB THR A 63 -10.640 8.115 -10.421 1.00 0.44 C ATOM 958 OG1 THR A 63 -11.304 8.060 -9.151 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.664 8.007 -11.541 1.00 1.28 C ATOM 0 H THR A 63 -10.603 5.602 -9.318 1.00 0.33 H new ATOM 0 HA THR A 63 -9.209 6.949 -11.539 1.00 0.37 H new ATOM 0 HB THR A 63 -10.121 9.069 -10.516 1.00 0.44 H new ATOM 0 HG1 THR A 63 -12.154 7.582 -9.247 1.00 1.40 H new ATOM 0 HG21 THR A 63 -12.391 8.814 -11.449 1.00 1.28 H new ATOM 0 HG22 THR A 63 -11.159 8.082 -12.504 1.00 1.28 H new ATOM 0 HG23 THR A 63 -12.177 7.048 -11.474 1.00 1.28 H new ATOM 967 N VAL A 64 -7.306 7.645 -10.126 1.00 0.28 N ATOM 968 CA VAL A 64 -6.138 7.968 -9.334 1.00 0.22 C ATOM 969 C VAL A 64 -6.441 9.148 -8.428 1.00 0.20 C ATOM 970 O VAL A 64 -7.031 10.139 -8.859 1.00 0.23 O ATOM 971 CB VAL A 64 -4.929 8.302 -10.233 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.273 9.424 -11.201 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.714 8.669 -9.393 1.00 0.18 C ATOM 0 H VAL A 64 -7.165 7.721 -11.133 1.00 0.28 H new ATOM 0 HA VAL A 64 -5.886 7.096 -8.731 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.683 7.413 -10.814 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.407 9.644 -11.825 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.107 9.117 -11.832 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.552 10.316 -10.640 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -2.875 8.900 -10.049 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.946 9.539 -8.779 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.450 7.830 -8.749 1.00 0.18 H new ATOM 983 N PHE A 65 -6.040 9.038 -7.173 1.00 0.18 N ATOM 984 CA PHE A 65 -6.285 10.102 -6.215 1.00 0.20 C ATOM 985 C PHE A 65 -5.055 10.999 -6.070 1.00 0.20 C ATOM 986 O PHE A 65 -5.176 12.175 -5.724 1.00 0.24 O ATOM 987 CB PHE A 65 -6.731 9.530 -4.848 1.00 0.21 C ATOM 988 CG PHE A 65 -5.787 8.553 -4.176 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.533 8.267 -4.686 1.00 0.15 C ATOM 990 CD2 PHE A 65 -6.166 7.934 -2.999 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.680 7.396 -4.044 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.319 7.053 -2.357 1.00 0.18 C ATOM 993 CZ PHE A 65 -4.071 6.785 -2.881 1.00 0.17 C ATOM 0 H PHE A 65 -5.547 8.229 -6.796 1.00 0.18 H new ATOM 0 HA PHE A 65 -7.101 10.717 -6.595 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.896 10.365 -4.168 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.692 9.035 -4.984 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.216 8.736 -5.606 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -7.138 8.143 -2.576 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.703 7.195 -4.457 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.634 6.572 -1.443 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.406 6.098 -2.378 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.877 10.439 -6.342 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.632 11.181 -6.255 1.00 0.19 C ATOM 1005 C ASP A 66 -1.454 10.312 -6.684 1.00 0.17 C ATOM 1006 O ASP A 66 -1.342 9.157 -6.274 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.407 11.702 -4.834 1.00 0.25 C ATOM 1008 CG ASP A 66 -1.093 12.447 -4.694 1.00 0.27 C ATOM 1009 OD1 ASP A 66 -1.060 13.656 -5.006 1.00 0.30 O ATOM 1010 OD2 ASP A 66 -0.098 11.821 -4.273 1.00 0.30 O ATOM 0 H ASP A 66 -3.765 9.466 -6.626 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.703 12.033 -6.931 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -3.228 12.364 -4.558 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.423 10.865 -4.136 1.00 0.25 H new ATOM 1015 N SER A 67 -0.580 10.872 -7.508 1.00 0.17 N ATOM 1016 CA SER A 67 0.602 10.153 -7.975 1.00 0.19 C ATOM 1017 C SER A 67 1.849 11.011 -7.804 1.00 0.18 C ATOM 1018 O SER A 67 1.927 12.118 -8.337 1.00 0.22 O ATOM 1019 CB SER A 67 0.444 9.754 -9.442 1.00 0.25 C ATOM 1020 OG SER A 67 1.573 9.027 -9.896 1.00 1.30 O ATOM 0 H SER A 67 -0.665 11.822 -7.868 1.00 0.17 H new ATOM 0 HA SER A 67 0.709 9.249 -7.375 1.00 0.19 H new ATOM 0 HB2 SER A 67 -0.455 9.149 -9.563 1.00 0.25 H new ATOM 0 HB3 SER A 67 0.312 10.647 -10.053 1.00 0.25 H new ATOM 0 HG SER A 67 1.448 8.782 -10.836 1.00 1.30 H new ATOM 1026 N THR A 68 2.828 10.497 -7.063 1.00 0.19 N ATOM 1027 CA THR A 68 4.064 11.238 -6.831 1.00 0.21 C ATOM 1028 C THR A 68 4.899 11.287 -8.102 1.00 0.28 C ATOM 1029 O THR A 68 5.799 12.116 -8.238 1.00 0.34 O ATOM 1030 CB THR A 68 4.897 10.621 -5.690 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.367 9.322 -6.070 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.061 10.512 -4.423 1.00 0.28 C ATOM 0 H THR A 68 2.790 9.580 -6.617 1.00 0.19 H new ATOM 0 HA THR A 68 3.784 12.250 -6.537 1.00 0.21 H new ATOM 0 HB THR A 68 5.751 11.269 -5.496 1.00 0.20 H new ATOM 0 HG1 THR A 68 4.603 8.749 -6.289 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.663 10.075 -3.626 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.726 11.505 -4.122 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.194 9.879 -4.612 1.00 0.28 H new ATOM 1040 N GLU A 69 4.590 10.392 -9.035 1.00 0.42 N ATOM 1041 CA GLU A 69 5.298 10.333 -10.304 1.00 0.56 C ATOM 1042 C GLU A 69 4.861 11.476 -11.213 1.00 0.66 C ATOM 1043 O GLU A 69 5.689 12.147 -11.829 1.00 0.75 O ATOM 1044 CB GLU A 69 5.039 8.994 -10.994 1.00 0.75 C ATOM 1045 CG GLU A 69 5.992 8.708 -12.141 1.00 1.17 C ATOM 1046 CD GLU A 69 5.612 7.464 -12.920 1.00 1.66 C ATOM 1047 OE1 GLU A 69 4.784 7.574 -13.848 1.00 2.05 O ATOM 1048 OE2 GLU A 69 6.143 6.379 -12.602 1.00 2.11 O ATOM 0 H GLU A 69 3.851 9.696 -8.933 1.00 0.42 H new ATOM 0 HA GLU A 69 6.365 10.430 -10.106 1.00 0.56 H new ATOM 0 HB2 GLU A 69 5.119 8.194 -10.258 1.00 0.75 H new ATOM 0 HB3 GLU A 69 4.016 8.980 -11.370 1.00 0.75 H new ATOM 0 HG2 GLU A 69 6.009 9.564 -12.816 1.00 1.17 H new ATOM 0 HG3 GLU A 69 7.002 8.592 -11.748 1.00 1.17 H new ATOM 1055 N LYS A 70 3.550 11.689 -11.288 1.00 0.69 N ATOM 1056 CA LYS A 70 2.989 12.747 -12.119 1.00 0.84 C ATOM 1057 C LYS A 70 3.456 14.119 -11.650 1.00 0.85 C ATOM 1058 O LYS A 70 3.784 14.984 -12.464 1.00 1.01 O ATOM 1059 CB LYS A 70 1.460 12.683 -12.099 1.00 0.91 C ATOM 1060 CG LYS A 70 0.888 11.466 -12.811 1.00 1.63 C ATOM 1061 CD LYS A 70 1.063 11.569 -14.318 1.00 1.87 C ATOM 1062 CE LYS A 70 0.462 10.371 -15.035 1.00 2.76 C ATOM 1063 NZ LYS A 70 0.550 10.509 -16.516 1.00 3.41 N ATOM 0 H LYS A 70 2.855 11.140 -10.781 1.00 0.69 H new ATOM 0 HA LYS A 70 3.341 12.595 -13.139 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.119 12.680 -11.064 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.062 13.585 -12.564 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.382 10.565 -12.447 1.00 1.63 H new ATOM 0 HG3 LYS A 70 -0.171 11.368 -12.572 1.00 1.63 H new ATOM 0 HD2 LYS A 70 0.591 12.483 -14.678 1.00 1.87 H new ATOM 0 HD3 LYS A 70 2.124 11.642 -14.557 1.00 1.87 H new ATOM 0 HE2 LYS A 70 0.980 9.464 -14.723 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -0.582 10.259 -14.742 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 0.130 9.672 -16.968 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 0.034 11.361 -16.817 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 1.548 10.591 -16.798 1.00 3.41 H new ATOM 1077 N THR A 71 3.482 14.315 -10.336 1.00 0.73 N ATOM 1078 CA THR A 71 3.915 15.583 -9.761 1.00 0.82 C ATOM 1079 C THR A 71 5.339 15.914 -10.198 1.00 0.82 C ATOM 1080 O THR A 71 5.778 17.061 -10.107 1.00 0.97 O ATOM 1081 CB THR A 71 3.844 15.556 -8.222 1.00 0.76 C ATOM 1082 OG1 THR A 71 2.559 15.082 -7.800 1.00 1.25 O ATOM 1083 CG2 THR A 71 4.090 16.940 -7.640 1.00 1.47 C ATOM 0 H THR A 71 3.208 13.612 -9.649 1.00 0.73 H new ATOM 0 HA THR A 71 3.236 16.354 -10.127 1.00 0.82 H new ATOM 0 HB THR A 71 4.621 14.883 -7.859 1.00 0.76 H new ATOM 0 HG1 THR A 71 2.530 14.105 -7.876 1.00 1.25 H new ATOM 0 HG21 THR A 71 4.034 16.893 -6.552 1.00 1.47 H new ATOM 0 HG22 THR A 71 5.079 17.289 -7.938 1.00 1.47 H new ATOM 0 HG23 THR A 71 3.334 17.631 -8.012 1.00 1.47 H new ATOM 1091 N GLY A 72 6.051 14.898 -10.679 1.00 0.69 N ATOM 1092 CA GLY A 72 7.416 15.094 -11.128 1.00 0.70 C ATOM 1093 C GLY A 72 8.414 15.021 -9.993 1.00 0.60 C ATOM 1094 O GLY A 72 9.610 15.232 -10.195 1.00 0.60 O ATOM 0 H GLY A 72 5.705 13.942 -10.765 1.00 0.69 H new ATOM 0 HA2 GLY A 72 7.662 14.338 -11.874 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.498 16.064 -11.618 1.00 0.70 H new ATOM 1098 N LYS A 73 7.924 14.721 -8.794 1.00 0.54 N ATOM 1099 CA LYS A 73 8.783 14.624 -7.622 1.00 0.49 C ATOM 1100 C LYS A 73 8.598 13.282 -6.916 1.00 0.40 C ATOM 1101 O LYS A 73 7.506 12.978 -6.433 1.00 0.43 O ATOM 1102 CB LYS A 73 8.480 15.768 -6.656 1.00 0.60 C ATOM 1103 CG LYS A 73 8.798 17.142 -7.225 1.00 1.47 C ATOM 1104 CD LYS A 73 8.448 18.253 -6.244 1.00 1.89 C ATOM 1105 CE LYS A 73 9.536 18.450 -5.198 1.00 2.37 C ATOM 1106 NZ LYS A 73 9.691 17.259 -4.318 1.00 3.05 N ATOM 0 H LYS A 73 6.937 14.541 -8.610 1.00 0.54 H new ATOM 0 HA LYS A 73 9.819 14.696 -7.952 1.00 0.49 H new ATOM 0 HB2 LYS A 73 7.426 15.732 -6.382 1.00 0.60 H new ATOM 0 HB3 LYS A 73 9.053 15.621 -5.740 1.00 0.60 H new ATOM 0 HG2 LYS A 73 9.858 17.197 -7.473 1.00 1.47 H new ATOM 0 HG3 LYS A 73 8.245 17.288 -8.153 1.00 1.47 H new ATOM 0 HD2 LYS A 73 8.296 19.184 -6.789 1.00 1.89 H new ATOM 0 HD3 LYS A 73 7.506 18.016 -5.748 1.00 1.89 H new ATOM 0 HE2 LYS A 73 10.483 18.658 -5.696 1.00 2.37 H new ATOM 0 HE3 LYS A 73 9.298 19.322 -4.588 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 10.015 17.562 -3.377 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 8.776 16.772 -4.229 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 10.390 16.610 -4.732 1.00 3.05 H new ATOM 1120 N PRO A 74 9.662 12.458 -6.841 1.00 0.33 N ATOM 1121 CA PRO A 74 9.599 11.147 -6.183 1.00 0.29 C ATOM 1122 C PRO A 74 9.089 11.245 -4.750 1.00 0.24 C ATOM 1123 O PRO A 74 9.071 12.325 -4.161 1.00 0.27 O ATOM 1124 CB PRO A 74 11.053 10.668 -6.198 1.00 0.33 C ATOM 1125 CG PRO A 74 11.679 11.391 -7.338 1.00 0.51 C ATOM 1126 CD PRO A 74 11.005 12.732 -7.389 1.00 0.38 C ATOM 0 HA PRO A 74 8.909 10.471 -6.689 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.556 10.899 -5.259 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.112 9.588 -6.334 1.00 0.33 H new ATOM 0 HG2 PRO A 74 12.754 11.498 -7.191 1.00 0.51 H new ATOM 0 HG3 PRO A 74 11.538 10.846 -8.272 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.539 13.473 -6.794 1.00 0.38 H new ATOM 0 HD3 PRO A 74 10.953 13.118 -8.407 1.00 0.38 H new ATOM 1134 N ALA A 75 8.676 10.110 -4.195 1.00 0.21 N ATOM 1135 CA ALA A 75 8.166 10.070 -2.836 1.00 0.19 C ATOM 1136 C ALA A 75 9.267 9.660 -1.864 1.00 0.18 C ATOM 1137 O ALA A 75 9.888 8.611 -2.028 1.00 0.19 O ATOM 1138 CB ALA A 75 6.996 9.103 -2.749 1.00 0.23 C ATOM 0 H ALA A 75 8.686 9.207 -4.669 1.00 0.21 H new ATOM 0 HA ALA A 75 7.821 11.067 -2.562 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.619 9.079 -1.726 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.202 9.431 -3.420 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.326 8.105 -3.038 1.00 0.23 H new ATOM 1144 N THR A 76 9.507 10.484 -0.849 1.00 0.18 N ATOM 1145 CA THR A 76 10.543 10.190 0.136 1.00 0.18 C ATOM 1146 C THR A 76 9.976 10.192 1.553 1.00 0.21 C ATOM 1147 O THR A 76 9.589 11.236 2.078 1.00 0.26 O ATOM 1148 CB THR A 76 11.699 11.207 0.055 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.236 11.230 -1.273 1.00 1.15 O ATOM 1150 CG2 THR A 76 12.801 10.857 1.044 1.00 1.26 C ATOM 0 H THR A 76 9.002 11.355 -0.687 1.00 0.18 H new ATOM 0 HA THR A 76 10.925 9.196 -0.096 1.00 0.18 H new ATOM 0 HB THR A 76 11.305 12.191 0.308 1.00 0.21 H new ATOM 0 HG1 THR A 76 12.969 11.879 -1.318 1.00 1.15 H new ATOM 0 HG21 THR A 76 13.605 11.589 0.967 1.00 1.26 H new ATOM 0 HG22 THR A 76 12.397 10.866 2.057 1.00 1.26 H new ATOM 0 HG23 THR A 76 13.191 9.865 0.818 1.00 1.26 H new ATOM 1158 N PHE A 77 9.932 9.012 2.162 1.00 0.20 N ATOM 1159 CA PHE A 77 9.416 8.863 3.520 1.00 0.26 C ATOM 1160 C PHE A 77 9.947 7.585 4.157 1.00 0.26 C ATOM 1161 O PHE A 77 10.440 6.694 3.463 1.00 0.29 O ATOM 1162 CB PHE A 77 7.887 8.823 3.502 1.00 0.28 C ATOM 1163 CG PHE A 77 7.334 7.636 2.761 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.093 7.709 1.399 1.00 0.25 C ATOM 1165 CD2 PHE A 77 7.067 6.445 3.424 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.597 6.620 0.710 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.569 5.352 2.740 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.336 5.441 1.381 1.00 0.34 C ATOM 0 H PHE A 77 10.248 8.141 1.736 1.00 0.20 H new ATOM 0 HA PHE A 77 9.750 9.719 4.107 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.518 8.807 4.528 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.511 9.737 3.043 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.295 8.628 0.870 1.00 0.25 H new ATOM 0 HD2 PHE A 77 7.251 6.372 4.486 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.413 6.690 -0.352 1.00 0.29 H new ATOM 0 HE2 PHE A 77 6.363 4.432 3.266 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.949 4.588 0.843 1.00 0.34 H new ATOM 1178 N GLN A 78 9.844 7.495 5.478 1.00 0.30 N ATOM 1179 CA GLN A 78 10.291 6.309 6.188 1.00 0.36 C ATOM 1180 C GLN A 78 9.151 5.306 6.295 1.00 0.31 C ATOM 1181 O GLN A 78 7.981 5.674 6.398 1.00 0.35 O ATOM 1182 CB GLN A 78 10.826 6.657 7.570 1.00 0.52 C ATOM 1183 CG GLN A 78 9.911 7.556 8.370 1.00 1.03 C ATOM 1184 CD GLN A 78 10.231 7.536 9.847 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.103 8.545 10.540 1.00 1.58 O ATOM 1186 NE2 GLN A 78 10.634 6.372 10.339 1.00 1.00 N ATOM 0 H GLN A 78 9.457 8.227 6.074 1.00 0.30 H new ATOM 0 HA GLN A 78 11.108 5.862 5.621 1.00 0.36 H new ATOM 0 HB2 GLN A 78 10.993 5.735 8.127 1.00 0.52 H new ATOM 0 HB3 GLN A 78 11.795 7.144 7.462 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.992 8.577 7.997 1.00 1.03 H new ATOM 0 HG3 GLN A 78 8.877 7.244 8.221 1.00 1.03 H new ATOM 0 HE21 GLN A 78 10.725 5.563 9.725 1.00 1.00 H new ATOM 0 HE22 GLN A 78 10.853 6.286 11.332 1.00 1.00 H new ATOM 1195 N VAL A 79 9.519 4.039 6.276 1.00 0.30 N ATOM 1196 CA VAL A 79 8.561 2.937 6.314 1.00 0.31 C ATOM 1197 C VAL A 79 7.638 2.955 7.535 1.00 0.32 C ATOM 1198 O VAL A 79 6.553 2.382 7.489 1.00 0.42 O ATOM 1199 CB VAL A 79 9.290 1.583 6.267 1.00 0.36 C ATOM 1200 CG1 VAL A 79 10.024 1.419 4.944 1.00 1.07 C ATOM 1201 CG2 VAL A 79 10.256 1.459 7.435 1.00 0.90 C ATOM 0 H VAL A 79 10.493 3.738 6.234 1.00 0.30 H new ATOM 0 HA VAL A 79 7.934 3.072 5.432 1.00 0.31 H new ATOM 0 HB VAL A 79 8.549 0.788 6.348 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.534 0.456 4.928 1.00 1.07 H new ATOM 0 HG12 VAL A 79 9.309 1.465 4.123 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.756 2.219 4.832 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.763 0.496 7.387 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.993 2.260 7.384 1.00 0.90 H new ATOM 0 HG23 VAL A 79 9.705 1.532 8.372 1.00 0.90 H new ATOM 1211 N SER A 80 8.052 3.600 8.623 1.00 0.30 N ATOM 1212 CA SER A 80 7.228 3.631 9.835 1.00 0.36 C ATOM 1213 C SER A 80 6.363 4.889 9.923 1.00 0.34 C ATOM 1214 O SER A 80 5.578 5.042 10.859 1.00 0.42 O ATOM 1215 CB SER A 80 8.105 3.520 11.082 1.00 0.46 C ATOM 1216 OG SER A 80 8.937 4.655 11.227 1.00 1.14 O ATOM 0 H SER A 80 8.937 4.101 8.694 1.00 0.30 H new ATOM 0 HA SER A 80 6.557 2.774 9.780 1.00 0.36 H new ATOM 0 HB2 SER A 80 7.474 3.413 11.965 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.719 2.622 11.019 1.00 0.46 H new ATOM 0 HG SER A 80 9.786 4.388 11.637 1.00 1.14 H new ATOM 1222 N GLN A 81 6.503 5.785 8.954 1.00 0.31 N ATOM 1223 CA GLN A 81 5.729 7.028 8.948 1.00 0.36 C ATOM 1224 C GLN A 81 4.335 6.825 8.351 1.00 0.32 C ATOM 1225 O GLN A 81 3.579 7.782 8.183 1.00 0.37 O ATOM 1226 CB GLN A 81 6.483 8.107 8.169 1.00 0.46 C ATOM 1227 CG GLN A 81 5.918 9.508 8.342 1.00 1.09 C ATOM 1228 CD GLN A 81 6.880 10.581 7.870 1.00 1.48 C ATOM 1229 OE1 GLN A 81 6.467 11.639 7.396 1.00 2.08 O ATOM 1230 NE2 GLN A 81 8.176 10.313 8.006 1.00 1.80 N ATOM 0 H GLN A 81 7.140 5.679 8.165 1.00 0.31 H new ATOM 0 HA GLN A 81 5.601 7.347 9.982 1.00 0.36 H new ATOM 0 HB2 GLN A 81 7.526 8.106 8.485 1.00 0.46 H new ATOM 0 HB3 GLN A 81 6.471 7.850 7.110 1.00 0.46 H new ATOM 0 HG2 GLN A 81 4.984 9.591 7.787 1.00 1.09 H new ATOM 0 HG3 GLN A 81 5.680 9.674 9.393 1.00 1.09 H new ATOM 0 HE21 GLN A 81 8.474 9.422 8.404 1.00 1.80 H new ATOM 0 HE22 GLN A 81 8.872 10.998 7.712 1.00 1.80 H new ATOM 1239 N VAL A 82 3.994 5.579 8.039 1.00 0.26 N ATOM 1240 CA VAL A 82 2.688 5.275 7.460 1.00 0.26 C ATOM 1241 C VAL A 82 1.816 4.456 8.413 1.00 0.24 C ATOM 1242 O VAL A 82 2.222 4.146 9.533 1.00 0.24 O ATOM 1243 CB VAL A 82 2.826 4.523 6.122 1.00 0.30 C ATOM 1244 CG1 VAL A 82 2.953 5.507 4.969 1.00 0.45 C ATOM 1245 CG2 VAL A 82 4.021 3.583 6.157 1.00 0.25 C ATOM 0 H VAL A 82 4.598 4.768 8.176 1.00 0.26 H new ATOM 0 HA VAL A 82 2.201 6.234 7.282 1.00 0.26 H new ATOM 0 HB VAL A 82 1.927 3.927 5.968 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.050 4.959 4.032 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.065 6.139 4.930 1.00 0.45 H new ATOM 0 HG13 VAL A 82 3.835 6.130 5.118 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.102 3.061 5.203 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.930 4.157 6.335 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.889 2.856 6.958 1.00 0.25 H new ATOM 1255 N ILE A 83 0.611 4.113 7.953 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.334 3.338 8.753 1.00 0.26 C ATOM 1257 C ILE A 83 0.272 2.017 9.222 1.00 0.26 C ATOM 1258 O ILE A 83 1.191 1.495 8.591 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.620 3.043 7.955 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.267 2.406 6.609 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.421 4.322 7.755 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.469 1.968 5.802 1.00 0.75 C ATOM 0 H ILE A 83 0.267 4.362 7.026 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.576 3.944 9.626 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.235 2.341 8.518 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.688 3.119 6.022 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.626 1.542 6.784 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.326 4.100 7.190 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.692 4.737 8.726 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.819 5.046 7.206 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -2.135 1.527 4.863 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -3.038 1.230 6.368 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -3.101 2.831 5.593 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.229 1.464 10.344 1.00 0.32 N ATOM 1275 CA PRO A 84 0.276 0.202 10.893 1.00 0.34 C ATOM 1276 C PRO A 84 0.404 -0.885 9.830 1.00 0.31 C ATOM 1277 O PRO A 84 1.409 -1.595 9.770 1.00 0.32 O ATOM 1278 CB PRO A 84 -0.785 -0.182 11.924 1.00 0.43 C ATOM 1279 CG PRO A 84 -1.371 1.114 12.362 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.326 2.022 11.163 1.00 0.41 C ATOM 0 HA PRO A 84 1.278 0.310 11.309 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -1.543 -0.833 11.489 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -0.345 -0.722 12.763 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -2.395 0.980 12.711 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -0.805 1.537 13.192 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.272 2.018 10.622 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.127 3.055 11.450 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.619 -1.008 8.992 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.601 -2.013 7.947 1.00 0.31 C ATOM 1290 C GLY A 85 0.544 -1.827 6.962 1.00 0.27 C ATOM 1291 O GLY A 85 1.287 -2.767 6.673 1.00 0.28 O ATOM 0 H GLY A 85 -1.459 -0.430 9.018 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.525 -3.001 8.402 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.547 -1.983 7.406 1.00 0.31 H new ATOM 1295 N TRP A 86 0.697 -0.604 6.464 1.00 0.25 N ATOM 1296 CA TRP A 86 1.741 -0.291 5.493 1.00 0.25 C ATOM 1297 C TRP A 86 3.139 -0.495 6.074 1.00 0.24 C ATOM 1298 O TRP A 86 3.961 -1.200 5.492 1.00 0.30 O ATOM 1299 CB TRP A 86 1.595 1.151 5.006 1.00 0.25 C ATOM 1300 CG TRP A 86 1.270 1.269 3.545 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.129 0.853 2.916 1.00 0.26 C ATOM 1302 CD2 TRP A 86 2.096 1.851 2.531 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.202 1.139 1.573 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.398 1.752 1.313 1.00 0.28 C ATOM 1305 CE3 TRP A 86 3.361 2.445 2.534 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.921 2.226 0.113 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 3.878 2.915 1.343 1.00 0.78 C ATOM 1308 CH2 TRP A 86 3.159 2.803 0.147 1.00 0.70 C ATOM 0 H TRP A 86 0.109 0.190 6.718 1.00 0.25 H new ATOM 0 HA TRP A 86 1.621 -0.977 4.655 1.00 0.25 H new ATOM 0 HB2 TRP A 86 0.811 1.642 5.583 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.522 1.688 5.207 1.00 0.25 H new ATOM 0 HD1 TRP A 86 -0.706 0.371 3.402 1.00 0.26 H new ATOM 0 HE1 TRP A 86 -0.518 0.928 0.882 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.924 2.535 3.451 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.368 2.141 -0.811 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 4.854 3.377 1.334 1.00 0.78 H new ATOM 0 HH2 TRP A 86 3.592 3.180 -0.768 1.00 0.70 H new ATOM 1319 N THR A 87 3.403 0.126 7.222 1.00 0.23 N ATOM 1320 CA THR A 87 4.711 0.024 7.865 1.00 0.26 C ATOM 1321 C THR A 87 5.131 -1.425 8.078 1.00 0.25 C ATOM 1322 O THR A 87 6.316 -1.753 8.000 1.00 0.26 O ATOM 1323 CB THR A 87 4.739 0.760 9.220 1.00 0.33 C ATOM 1324 OG1 THR A 87 6.044 0.658 9.804 1.00 1.40 O ATOM 1325 CG2 THR A 87 3.709 0.186 10.179 1.00 1.25 C ATOM 0 H THR A 87 2.730 0.704 7.725 1.00 0.23 H new ATOM 0 HA THR A 87 5.418 0.499 7.185 1.00 0.26 H new ATOM 0 HB THR A 87 4.496 1.807 9.039 1.00 0.33 H new ATOM 0 HG1 THR A 87 6.724 0.756 9.105 1.00 1.40 H new ATOM 0 HG21 THR A 87 3.753 0.725 11.125 1.00 1.25 H new ATOM 0 HG22 THR A 87 2.713 0.290 9.748 1.00 1.25 H new ATOM 0 HG23 THR A 87 3.921 -0.869 10.352 1.00 1.25 H new ATOM 1333 N GLU A 88 4.162 -2.291 8.350 1.00 0.25 N ATOM 1334 CA GLU A 88 4.447 -3.697 8.575 1.00 0.28 C ATOM 1335 C GLU A 88 4.969 -4.362 7.303 1.00 0.28 C ATOM 1336 O GLU A 88 6.011 -5.018 7.321 1.00 0.34 O ATOM 1337 CB GLU A 88 3.189 -4.409 9.065 1.00 0.33 C ATOM 1338 CG GLU A 88 3.476 -5.630 9.917 1.00 0.69 C ATOM 1339 CD GLU A 88 4.216 -6.713 9.157 1.00 0.86 C ATOM 1340 OE1 GLU A 88 3.559 -7.472 8.414 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.452 -6.802 9.304 1.00 1.15 O ATOM 0 H GLU A 88 3.175 -2.042 8.419 1.00 0.25 H new ATOM 0 HA GLU A 88 5.223 -3.773 9.337 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.586 -3.708 9.641 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.593 -4.709 8.204 1.00 0.33 H new ATOM 0 HG2 GLU A 88 4.066 -5.332 10.784 1.00 0.69 H new ATOM 0 HG3 GLU A 88 2.536 -6.034 10.294 1.00 0.69 H new ATOM 1348 N ALA A 89 4.246 -4.185 6.201 1.00 0.26 N ATOM 1349 CA ALA A 89 4.644 -4.776 4.926 1.00 0.29 C ATOM 1350 C ALA A 89 5.960 -4.187 4.421 1.00 0.29 C ATOM 1351 O ALA A 89 6.837 -4.915 3.955 1.00 0.33 O ATOM 1352 CB ALA A 89 3.549 -4.580 3.889 1.00 0.29 C ATOM 0 H ALA A 89 3.385 -3.640 6.164 1.00 0.26 H new ATOM 0 HA ALA A 89 4.796 -5.843 5.088 1.00 0.29 H new ATOM 0 HB1 ALA A 89 3.859 -5.025 2.944 1.00 0.29 H new ATOM 0 HB2 ALA A 89 2.632 -5.060 4.233 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.369 -3.514 3.746 1.00 0.29 H new ATOM 1358 N LEU A 90 6.085 -2.865 4.508 1.00 0.28 N ATOM 1359 CA LEU A 90 7.292 -2.171 4.057 1.00 0.31 C ATOM 1360 C LEU A 90 8.534 -2.694 4.773 1.00 0.35 C ATOM 1361 O LEU A 90 9.633 -2.679 4.218 1.00 0.39 O ATOM 1362 CB LEU A 90 7.154 -0.661 4.288 1.00 0.33 C ATOM 1363 CG LEU A 90 6.622 0.146 3.097 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.643 0.172 1.969 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.300 -0.427 2.605 1.00 0.32 C ATOM 0 H LEU A 90 5.365 -2.250 4.887 1.00 0.28 H new ATOM 0 HA LEU A 90 7.408 -2.364 2.990 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.490 -0.501 5.138 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.130 -0.263 4.566 1.00 0.33 H new ATOM 0 HG LEU A 90 6.449 1.169 3.430 1.00 0.33 H new ATOM 0 HD11 LEU A 90 7.247 0.749 1.133 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.565 0.632 2.324 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.849 -0.847 1.641 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.941 0.161 1.760 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.446 -1.461 2.292 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.566 -0.391 3.410 1.00 0.32 H new ATOM 1377 N GLN A 91 8.352 -3.154 6.006 1.00 0.37 N ATOM 1378 CA GLN A 91 9.456 -3.681 6.802 1.00 0.43 C ATOM 1379 C GLN A 91 10.076 -4.911 6.142 1.00 0.39 C ATOM 1380 O GLN A 91 11.240 -5.237 6.382 1.00 0.43 O ATOM 1381 CB GLN A 91 8.964 -4.039 8.208 1.00 0.52 C ATOM 1382 CG GLN A 91 9.972 -4.830 9.030 1.00 1.07 C ATOM 1383 CD GLN A 91 9.391 -5.344 10.334 1.00 1.32 C ATOM 1384 OE1 GLN A 91 8.812 -6.429 10.381 1.00 1.87 O ATOM 1385 NE2 GLN A 91 9.551 -4.571 11.400 1.00 1.80 N ATOM 0 H GLN A 91 7.448 -3.173 6.478 1.00 0.37 H new ATOM 0 HA GLN A 91 10.222 -2.908 6.870 1.00 0.43 H new ATOM 0 HB2 GLN A 91 8.716 -3.121 8.740 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.044 -4.617 8.124 1.00 0.52 H new ATOM 0 HG2 GLN A 91 10.333 -5.673 8.441 1.00 1.07 H new ATOM 0 HG3 GLN A 91 10.834 -4.199 9.245 1.00 1.07 H new ATOM 0 HE21 GLN A 91 10.038 -3.679 11.315 1.00 1.80 H new ATOM 0 HE22 GLN A 91 9.187 -4.869 12.305 1.00 1.80 H new ATOM 1394 N LEU A 92 9.298 -5.584 5.305 1.00 0.37 N ATOM 1395 CA LEU A 92 9.764 -6.790 4.631 1.00 0.36 C ATOM 1396 C LEU A 92 10.355 -6.489 3.255 1.00 0.32 C ATOM 1397 O LEU A 92 10.915 -7.376 2.613 1.00 0.39 O ATOM 1398 CB LEU A 92 8.618 -7.793 4.492 1.00 0.38 C ATOM 1399 CG LEU A 92 8.212 -8.512 5.782 1.00 0.59 C ATOM 1400 CD1 LEU A 92 7.645 -7.532 6.796 1.00 1.17 C ATOM 1401 CD2 LEU A 92 7.203 -9.609 5.479 1.00 1.31 C ATOM 0 H LEU A 92 8.341 -5.316 5.076 1.00 0.37 H new ATOM 0 HA LEU A 92 10.556 -7.218 5.246 1.00 0.36 H new ATOM 0 HB2 LEU A 92 7.746 -7.270 4.098 1.00 0.38 H new ATOM 0 HB3 LEU A 92 8.901 -8.542 3.753 1.00 0.38 H new ATOM 0 HG LEU A 92 9.103 -8.966 6.215 1.00 0.59 H new ATOM 0 HD11 LEU A 92 7.365 -8.068 7.703 1.00 1.17 H new ATOM 0 HD12 LEU A 92 8.398 -6.781 7.037 1.00 1.17 H new ATOM 0 HD13 LEU A 92 6.766 -7.043 6.377 1.00 1.17 H new ATOM 0 HD21 LEU A 92 6.923 -10.112 6.405 1.00 1.31 H new ATOM 0 HD22 LEU A 92 6.316 -9.171 5.021 1.00 1.31 H new ATOM 0 HD23 LEU A 92 7.646 -10.331 4.793 1.00 1.31 H new ATOM 1413 N MET A 93 10.227 -5.246 2.799 1.00 0.31 N ATOM 1414 CA MET A 93 10.754 -4.867 1.491 1.00 0.33 C ATOM 1415 C MET A 93 12.179 -4.322 1.597 1.00 0.23 C ATOM 1416 O MET A 93 12.383 -3.207 2.078 1.00 0.23 O ATOM 1417 CB MET A 93 9.859 -3.813 0.834 1.00 0.45 C ATOM 1418 CG MET A 93 9.315 -4.239 -0.519 1.00 1.05 C ATOM 1419 SD MET A 93 8.482 -2.896 -1.385 1.00 1.05 S ATOM 1420 CE MET A 93 7.124 -2.564 -0.268 1.00 1.66 C ATOM 0 H MET A 93 9.768 -4.491 3.309 1.00 0.31 H new ATOM 0 HA MET A 93 10.770 -5.767 0.877 1.00 0.33 H new ATOM 0 HB2 MET A 93 9.024 -3.591 1.499 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.426 -2.890 0.715 1.00 0.45 H new ATOM 0 HG2 MET A 93 10.134 -4.611 -1.135 1.00 1.05 H new ATOM 0 HG3 MET A 93 8.618 -5.066 -0.382 1.00 1.05 H new ATOM 0 HE1 MET A 93 6.191 -2.901 -0.719 1.00 1.66 H new ATOM 0 HE2 MET A 93 7.286 -3.095 0.670 1.00 1.66 H new ATOM 0 HE3 MET A 93 7.067 -1.493 -0.073 1.00 1.66 H new ATOM 1430 N PRO A 94 13.189 -5.094 1.142 1.00 0.25 N ATOM 1431 CA PRO A 94 14.584 -4.651 1.170 1.00 0.23 C ATOM 1432 C PRO A 94 14.840 -3.628 0.074 1.00 0.21 C ATOM 1433 O PRO A 94 14.231 -3.703 -0.993 1.00 0.21 O ATOM 1434 CB PRO A 94 15.368 -5.935 0.903 1.00 0.31 C ATOM 1435 CG PRO A 94 14.443 -6.775 0.092 1.00 0.44 C ATOM 1436 CD PRO A 94 13.053 -6.452 0.574 1.00 0.37 C ATOM 0 HA PRO A 94 14.862 -4.169 2.107 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.293 -5.730 0.365 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.644 -6.432 1.833 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.548 -6.555 -0.970 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.664 -7.834 0.222 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.330 -6.475 -0.242 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.712 -7.167 1.322 1.00 0.37 H new ATOM 1444 N ALA A 95 15.728 -2.670 0.332 1.00 0.24 N ATOM 1445 CA ALA A 95 16.027 -1.641 -0.655 1.00 0.27 C ATOM 1446 C ALA A 95 16.234 -2.243 -2.039 1.00 0.27 C ATOM 1447 O ALA A 95 17.068 -3.128 -2.221 1.00 0.31 O ATOM 1448 CB ALA A 95 17.257 -0.853 -0.233 1.00 0.36 C ATOM 0 H ALA A 95 16.247 -2.587 1.206 1.00 0.24 H new ATOM 0 HA ALA A 95 15.172 -0.967 -0.709 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.471 -0.087 -0.978 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.073 -0.380 0.732 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.110 -1.527 -0.150 1.00 0.36 H new ATOM 1454 N GLY A 96 15.473 -1.752 -3.015 1.00 0.27 N ATOM 1455 CA GLY A 96 15.603 -2.251 -4.375 1.00 0.28 C ATOM 1456 C GLY A 96 14.497 -3.220 -4.770 1.00 0.28 C ATOM 1457 O GLY A 96 14.382 -3.586 -5.940 1.00 0.34 O ATOM 0 H GLY A 96 14.772 -1.021 -2.890 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.601 -1.408 -5.066 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.567 -2.748 -4.481 1.00 0.28 H new ATOM 1461 N SER A 97 13.686 -3.638 -3.802 1.00 0.24 N ATOM 1462 CA SER A 97 12.589 -4.571 -4.069 1.00 0.24 C ATOM 1463 C SER A 97 11.452 -3.885 -4.822 1.00 0.19 C ATOM 1464 O SER A 97 11.484 -2.675 -5.052 1.00 0.21 O ATOM 1465 CB SER A 97 12.067 -5.167 -2.758 1.00 0.28 C ATOM 1466 OG SER A 97 10.909 -5.956 -2.977 1.00 1.41 O ATOM 0 H SER A 97 13.765 -3.348 -2.827 1.00 0.24 H new ATOM 0 HA SER A 97 12.977 -5.374 -4.696 1.00 0.24 H new ATOM 0 HB2 SER A 97 12.844 -5.777 -2.298 1.00 0.28 H new ATOM 0 HB3 SER A 97 11.836 -4.365 -2.057 1.00 0.28 H new ATOM 0 HG SER A 97 10.691 -6.451 -2.160 1.00 1.41 H new ATOM 1472 N THR A 98 10.449 -4.672 -5.205 1.00 0.17 N ATOM 1473 CA THR A 98 9.295 -4.159 -5.934 1.00 0.14 C ATOM 1474 C THR A 98 8.036 -4.927 -5.548 1.00 0.13 C ATOM 1475 O THR A 98 7.761 -5.997 -6.088 1.00 0.23 O ATOM 1476 CB THR A 98 9.496 -4.270 -7.456 1.00 0.16 C ATOM 1477 OG1 THR A 98 10.774 -3.739 -7.822 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.399 -3.523 -8.202 1.00 0.18 C ATOM 0 H THR A 98 10.414 -5.674 -5.020 1.00 0.17 H new ATOM 0 HA THR A 98 9.186 -3.108 -5.667 1.00 0.14 H new ATOM 0 HB THR A 98 9.449 -5.324 -7.730 1.00 0.16 H new ATOM 0 HG1 THR A 98 10.894 -3.814 -8.792 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.562 -3.615 -9.276 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.429 -3.948 -7.944 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.420 -2.470 -7.921 1.00 0.18 H new ATOM 1486 N TRP A 99 7.274 -4.374 -4.611 1.00 0.16 N ATOM 1487 CA TRP A 99 6.050 -5.018 -4.148 1.00 0.15 C ATOM 1488 C TRP A 99 4.822 -4.151 -4.394 1.00 0.16 C ATOM 1489 O TRP A 99 4.898 -2.923 -4.391 1.00 0.18 O ATOM 1490 CB TRP A 99 6.136 -5.316 -2.649 1.00 0.19 C ATOM 1491 CG TRP A 99 6.929 -6.539 -2.298 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.596 -7.371 -3.150 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.129 -7.067 -0.983 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.199 -8.381 -2.442 1.00 0.29 N ATOM 1495 CE2 TRP A 99 7.926 -8.218 -1.111 1.00 0.28 C ATOM 1496 CE3 TRP A 99 6.709 -6.676 0.292 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.314 -8.981 -0.013 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.094 -7.434 1.380 1.00 0.53 C ATOM 1499 CH2 TRP A 99 7.889 -8.575 1.222 1.00 0.49 C ATOM 0 H TRP A 99 7.481 -3.484 -4.158 1.00 0.16 H new ATOM 0 HA TRP A 99 5.949 -5.943 -4.715 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.578 -4.456 -2.146 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.126 -5.430 -2.256 1.00 0.19 H new ATOM 0 HD1 TRP A 99 7.643 -7.252 -4.222 1.00 0.25 H new ATOM 0 HE1 TRP A 99 8.760 -9.132 -2.844 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.095 -5.797 0.423 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 8.928 -9.861 -0.132 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 6.776 -7.141 2.370 1.00 0.53 H new ATOM 0 HH2 TRP A 99 8.173 -9.147 2.093 1.00 0.49 H new ATOM 1510 N GLU A 100 3.692 -4.814 -4.606 1.00 0.17 N ATOM 1511 CA GLU A 100 2.421 -4.135 -4.801 1.00 0.20 C ATOM 1512 C GLU A 100 1.475 -4.583 -3.696 1.00 0.19 C ATOM 1513 O GLU A 100 0.999 -5.717 -3.696 1.00 0.19 O ATOM 1514 CB GLU A 100 1.838 -4.458 -6.180 1.00 0.27 C ATOM 1515 CG GLU A 100 1.784 -5.944 -6.490 1.00 0.95 C ATOM 1516 CD GLU A 100 1.256 -6.232 -7.882 1.00 0.95 C ATOM 1517 OE1 GLU A 100 0.021 -6.299 -8.046 1.00 1.20 O ATOM 1518 OE2 GLU A 100 2.081 -6.389 -8.808 1.00 1.37 O ATOM 0 H GLU A 100 3.632 -5.831 -4.647 1.00 0.17 H new ATOM 0 HA GLU A 100 2.563 -3.055 -4.756 1.00 0.20 H new ATOM 0 HB2 GLU A 100 0.831 -4.046 -6.244 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.435 -3.959 -6.943 1.00 0.27 H new ATOM 0 HG2 GLU A 100 2.783 -6.369 -6.390 1.00 0.95 H new ATOM 0 HG3 GLU A 100 1.151 -6.442 -5.755 1.00 0.95 H new ATOM 1525 N ILE A 101 1.199 -3.691 -2.754 1.00 0.18 N ATOM 1526 CA ILE A 101 0.351 -4.036 -1.625 1.00 0.18 C ATOM 1527 C ILE A 101 -1.024 -3.388 -1.678 1.00 0.18 C ATOM 1528 O ILE A 101 -1.184 -2.244 -2.102 1.00 0.19 O ATOM 1529 CB ILE A 101 1.023 -3.654 -0.291 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.377 -2.166 -0.274 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.264 -4.502 -0.059 1.00 0.25 C ATOM 1532 CD1 ILE A 101 1.872 -1.679 1.072 1.00 0.22 C ATOM 0 H ILE A 101 1.547 -2.732 -2.750 1.00 0.18 H new ATOM 0 HA ILE A 101 0.214 -5.116 -1.689 1.00 0.18 H new ATOM 0 HB ILE A 101 0.318 -3.847 0.518 1.00 0.20 H new ATOM 0 HG12 ILE A 101 2.143 -1.974 -1.025 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.498 -1.588 -0.560 1.00 0.18 H new ATOM 0 HG21 ILE A 101 2.726 -4.219 0.887 1.00 0.25 H new ATOM 0 HG22 ILE A 101 1.984 -5.555 -0.026 1.00 0.25 H new ATOM 0 HG23 ILE A 101 2.972 -4.340 -0.872 1.00 0.25 H new ATOM 0 HD11 ILE A 101 2.104 -0.616 1.011 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.099 -1.839 1.824 1.00 0.22 H new ATOM 0 HD13 ILE A 101 2.769 -2.231 1.351 1.00 0.22 H new ATOM 1544 N TYR A 102 -2.011 -4.156 -1.238 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.390 -3.704 -1.167 1.00 0.22 C ATOM 1546 C TYR A 102 -3.872 -3.866 0.272 1.00 0.22 C ATOM 1547 O TYR A 102 -4.171 -4.976 0.714 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.271 -4.501 -2.136 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.709 -5.862 -2.499 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.844 -6.021 -3.579 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -4.049 -6.993 -1.767 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.337 -7.261 -3.913 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.545 -8.235 -2.098 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.692 -8.363 -3.170 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.190 -9.601 -3.501 1.00 0.31 O ATOM 0 H TYR A 102 -1.875 -5.115 -0.919 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.456 -2.656 -1.460 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.257 -4.633 -1.691 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.408 -3.920 -3.048 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.565 -5.158 -4.166 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.719 -6.899 -0.925 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.666 -7.365 -4.753 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.819 -9.103 -1.517 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.433 -9.494 -4.114 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.945 -2.754 0.996 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.328 -2.779 2.405 1.00 0.29 C ATOM 1567 C VAL A 103 -5.730 -2.227 2.658 1.00 0.29 C ATOM 1568 O VAL A 103 -5.906 -1.011 2.758 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.344 -1.947 3.246 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.379 -2.386 4.701 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -1.936 -2.044 2.681 1.00 0.33 C ATOM 0 H VAL A 103 -3.744 -1.823 0.631 1.00 0.26 H new ATOM 0 HA VAL A 103 -4.310 -3.830 2.694 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.652 -0.903 3.200 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -2.676 -1.786 5.279 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.385 -2.250 5.098 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.101 -3.438 4.771 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.257 -1.448 3.291 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.612 -3.085 2.688 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.928 -1.669 1.658 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.753 -3.096 2.762 1.00 0.28 N ATOM 1582 CA PRO A 104 -8.113 -2.654 3.062 1.00 0.34 C ATOM 1583 C PRO A 104 -8.134 -1.819 4.343 1.00 0.34 C ATOM 1584 O PRO A 104 -7.314 -2.024 5.237 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.904 -3.958 3.246 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.887 -5.050 3.308 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.679 -4.552 2.569 1.00 0.33 C ATOM 0 HA PRO A 104 -8.532 -2.023 2.278 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -9.500 -3.928 4.158 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.596 -4.115 2.418 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -7.638 -5.289 4.342 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -8.271 -5.963 2.853 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.757 -4.967 2.976 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.711 -4.822 1.513 1.00 0.33 H new ATOM 1595 N SER A 105 -9.067 -0.875 4.420 1.00 0.45 N ATOM 1596 CA SER A 105 -9.184 0.014 5.580 1.00 0.51 C ATOM 1597 C SER A 105 -9.164 -0.739 6.910 1.00 0.44 C ATOM 1598 O SER A 105 -8.749 -0.189 7.929 1.00 0.48 O ATOM 1599 CB SER A 105 -10.471 0.833 5.485 1.00 0.66 C ATOM 1600 OG SER A 105 -11.527 0.059 4.944 1.00 1.81 O ATOM 0 H SER A 105 -9.759 -0.702 3.690 1.00 0.45 H new ATOM 0 HA SER A 105 -8.313 0.669 5.560 1.00 0.51 H new ATOM 0 HB2 SER A 105 -10.750 1.194 6.475 1.00 0.66 H new ATOM 0 HB3 SER A 105 -10.302 1.711 4.861 1.00 0.66 H new ATOM 0 HG SER A 105 -12.056 0.611 4.330 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.609 -1.989 6.900 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.647 -2.776 8.123 1.00 0.36 C ATOM 1608 C GLY A 106 -8.284 -2.969 8.770 1.00 0.36 C ATOM 1609 O GLY A 106 -8.195 -3.445 9.902 1.00 0.40 O ATOM 0 H GLY A 106 -9.945 -2.474 6.068 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.312 -2.290 8.837 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.076 -3.753 7.902 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.223 -2.601 8.058 1.00 0.37 N ATOM 1614 CA LEU A 107 -5.866 -2.767 8.572 1.00 0.42 C ATOM 1615 C LEU A 107 -5.168 -1.430 8.802 1.00 0.45 C ATOM 1616 O LEU A 107 -4.022 -1.393 9.249 1.00 0.57 O ATOM 1617 CB LEU A 107 -5.042 -3.632 7.616 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.479 -5.099 7.503 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -5.700 -5.712 8.879 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -6.737 -5.221 6.659 1.00 1.60 C ATOM 0 H LEU A 107 -7.275 -2.187 7.127 1.00 0.37 H new ATOM 0 HA LEU A 107 -5.944 -3.264 9.539 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -5.081 -3.183 6.624 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -4.001 -3.606 7.937 1.00 0.61 H new ATOM 0 HG LEU A 107 -4.677 -5.650 7.011 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -6.009 -6.752 8.769 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -4.773 -5.668 9.450 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -6.477 -5.156 9.404 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -7.030 -6.269 6.592 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -7.542 -4.648 7.120 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -6.543 -4.833 5.659 1.00 1.60 H new ATOM 1632 N ALA A 108 -5.854 -0.336 8.497 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.286 0.992 8.685 1.00 0.60 C ATOM 1634 C ALA A 108 -5.977 1.705 9.842 1.00 0.67 C ATOM 1635 O ALA A 108 -5.727 1.394 11.007 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.397 1.800 7.398 1.00 0.66 C ATOM 0 H ALA A 108 -6.802 -0.342 8.120 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.229 0.893 8.933 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.969 2.790 7.552 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.856 1.291 6.601 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -6.446 1.898 7.119 1.00 0.66 H new ATOM 1749 N PRO A 117 -6.111 7.599 5.772 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.671 8.146 4.487 1.00 0.60 C ATOM 1751 C PRO A 117 -6.391 7.463 3.333 1.00 0.53 C ATOM 1752 O PRO A 117 -6.520 8.019 2.242 1.00 0.59 O ATOM 1753 CB PRO A 117 -4.168 7.840 4.446 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.958 6.781 5.475 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.990 7.027 6.536 1.00 0.59 C ATOM 0 HA PRO A 117 -5.886 9.210 4.390 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.863 7.495 3.458 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -3.579 8.729 4.670 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -4.073 5.787 5.042 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -2.951 6.834 5.890 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.275 6.106 7.045 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.629 7.715 7.301 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.858 6.245 3.595 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.587 5.467 2.606 1.00 0.40 C ATOM 1765 C ILE A 118 -9.082 5.757 2.711 1.00 0.43 C ATOM 1766 O ILE A 118 -9.630 5.820 3.812 1.00 0.50 O ATOM 1767 CB ILE A 118 -7.333 3.952 2.785 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.859 3.632 2.522 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -8.234 3.144 1.860 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.489 2.196 2.825 1.00 1.25 C ATOM 0 H ILE A 118 -6.741 5.775 4.493 1.00 0.44 H new ATOM 0 HA ILE A 118 -7.229 5.758 1.619 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.571 3.676 3.812 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.630 3.845 1.478 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -5.238 4.294 3.126 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -8.040 2.081 2.001 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -9.278 3.356 2.092 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -8.030 3.416 0.824 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.431 2.041 2.616 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.686 1.983 3.876 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -6.084 1.528 2.202 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.729 5.948 1.562 1.00 0.43 N ATOM 1783 CA GLY A 119 -11.155 6.244 1.538 1.00 0.48 C ATOM 1784 C GLY A 119 -11.958 5.389 2.505 1.00 0.45 C ATOM 1785 O GLY A 119 -11.565 4.262 2.806 1.00 0.40 O ATOM 0 H GLY A 119 -9.289 5.903 0.643 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -11.306 7.296 1.781 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.534 6.093 0.527 1.00 0.48 H new ATOM 1789 N PRO A 120 -13.103 5.898 3.006 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.948 5.156 3.948 1.00 0.56 C ATOM 1791 C PRO A 120 -14.451 3.851 3.346 1.00 0.51 C ATOM 1792 O PRO A 120 -14.977 3.837 2.233 1.00 0.48 O ATOM 1793 CB PRO A 120 -15.118 6.111 4.223 1.00 0.64 C ATOM 1794 CG PRO A 120 -15.109 7.075 3.088 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.670 7.220 2.685 1.00 0.59 C ATOM 0 HA PRO A 120 -13.406 4.872 4.850 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -16.064 5.571 4.274 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.992 6.624 5.177 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.712 6.707 2.258 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -15.530 8.035 3.387 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.569 7.456 1.626 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -13.174 8.017 3.238 1.00 0.59 H new ATOM 1803 N ASN A 121 -14.297 2.760 4.096 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.712 1.439 3.633 1.00 0.58 C ATOM 1805 C ASN A 121 -14.289 1.236 2.185 1.00 0.49 C ATOM 1806 O ASN A 121 -14.980 0.580 1.412 1.00 0.53 O ATOM 1807 CB ASN A 121 -16.230 1.294 3.747 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.773 1.924 5.011 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.922 1.259 6.037 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -17.080 3.214 4.937 1.00 0.67 N ATOM 0 H ASN A 121 -13.886 2.767 5.030 1.00 0.55 H new ATOM 0 HA ASN A 121 -14.232 0.685 4.257 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.703 1.757 2.881 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -16.494 0.237 3.728 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -17.457 3.696 5.753 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.939 3.723 4.064 1.00 0.67 H new ATOM 1817 N GLU A 122 -13.138 1.793 1.834 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.624 1.692 0.478 1.00 0.35 C ATOM 1819 C GLU A 122 -11.320 0.910 0.433 1.00 0.31 C ATOM 1820 O GLU A 122 -10.440 1.106 1.271 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.412 3.090 -0.108 1.00 0.35 C ATOM 1822 CG GLU A 122 -12.061 3.086 -1.587 1.00 1.09 C ATOM 1823 CD GLU A 122 -13.209 2.614 -2.458 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -13.586 1.429 -2.351 1.00 1.60 O ATOM 1825 OE2 GLU A 122 -13.731 3.429 -3.247 1.00 1.73 O ATOM 0 H GLU A 122 -12.542 2.320 2.472 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.361 1.154 -0.119 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -13.318 3.677 0.040 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.615 3.589 0.444 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -11.770 4.092 -1.890 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -11.197 2.441 -1.750 1.00 1.09 H new ATOM 1832 N THR A 123 -11.201 0.022 -0.545 1.00 0.26 N ATOM 1833 CA THR A 123 -9.987 -0.758 -0.710 1.00 0.24 C ATOM 1834 C THR A 123 -9.094 -0.074 -1.731 1.00 0.22 C ATOM 1835 O THR A 123 -9.559 0.343 -2.791 1.00 0.24 O ATOM 1836 CB THR A 123 -10.278 -2.202 -1.151 1.00 0.25 C ATOM 1837 OG1 THR A 123 -11.080 -2.860 -0.164 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.981 -2.973 -1.352 1.00 0.24 C ATOM 0 H THR A 123 -11.929 -0.174 -1.232 1.00 0.26 H new ATOM 0 HA THR A 123 -9.487 -0.813 0.257 1.00 0.24 H new ATOM 0 HB THR A 123 -10.818 -2.172 -2.098 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.510 -3.427 0.396 1.00 0.29 H new ATOM 0 HG21 THR A 123 -9.208 -3.992 -1.664 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.382 -2.484 -2.120 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.423 -2.996 -0.416 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.814 0.042 -1.414 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.881 0.717 -2.302 1.00 0.19 C ATOM 1848 C LEU A 124 -5.732 -0.185 -2.731 1.00 0.17 C ATOM 1849 O LEU A 124 -5.372 -1.137 -2.037 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.325 1.952 -1.597 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.582 3.274 -2.312 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -6.986 4.344 -1.314 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -5.348 3.705 -3.084 1.00 1.47 C ATOM 0 H LEU A 124 -7.400 -0.320 -0.555 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.425 1.000 -3.203 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.757 2.007 -0.598 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.249 1.827 -1.472 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.400 3.135 -3.019 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -7.166 5.282 -1.839 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -7.896 4.036 -0.799 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -6.186 4.483 -0.586 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -5.547 4.650 -3.589 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -4.513 3.830 -2.395 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -5.097 2.944 -3.823 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.161 0.136 -3.887 1.00 0.15 N ATOM 1866 CA ILE A 125 -4.028 -0.596 -4.428 1.00 0.14 C ATOM 1867 C ILE A 125 -2.809 0.305 -4.446 1.00 0.13 C ATOM 1868 O ILE A 125 -2.912 1.495 -4.739 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.293 -1.086 -5.863 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.605 -1.856 -5.926 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.141 -1.952 -6.351 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.821 -0.972 -6.107 1.00 0.20 C ATOM 0 H ILE A 125 -5.472 0.911 -4.473 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.863 -1.465 -3.791 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.371 -0.218 -6.517 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.559 -2.568 -6.750 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.721 -2.435 -5.010 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.345 -2.290 -7.367 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.219 -1.371 -6.340 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -3.033 -2.817 -5.696 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.718 -1.590 -6.143 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.893 -0.276 -5.271 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.729 -0.412 -7.038 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.653 -0.260 -4.130 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.428 0.521 -4.098 1.00 0.14 C ATOM 1886 C PHE A 126 0.715 -0.190 -4.810 1.00 0.14 C ATOM 1887 O PHE A 126 0.967 -1.374 -4.586 1.00 0.16 O ATOM 1888 CB PHE A 126 -0.036 0.806 -2.646 1.00 0.16 C ATOM 1889 CG PHE A 126 -1.101 1.518 -1.864 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.328 2.872 -2.050 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.871 0.835 -0.936 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -2.304 3.531 -1.327 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.847 1.489 -0.209 1.00 0.22 C ATOM 1894 CZ PHE A 126 -3.064 2.838 -0.404 1.00 0.24 C ATOM 0 H PHE A 126 -1.539 -1.246 -3.895 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.615 1.457 -4.623 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.198 -0.136 -2.150 1.00 0.16 H new ATOM 0 HB3 PHE A 126 0.874 1.407 -2.635 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.735 3.419 -2.768 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.706 -0.221 -0.779 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.473 4.586 -1.483 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.440 0.945 0.511 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.826 3.351 0.164 1.00 0.24 H new ATOM 1904 N LYS A 127 1.403 0.550 -5.673 1.00 0.14 N ATOM 1905 CA LYS A 127 2.546 0.021 -6.402 1.00 0.15 C ATOM 1906 C LYS A 127 3.816 0.625 -5.827 1.00 0.16 C ATOM 1907 O LYS A 127 4.144 1.778 -6.104 1.00 0.19 O ATOM 1908 CB LYS A 127 2.436 0.348 -7.894 1.00 0.18 C ATOM 1909 CG LYS A 127 1.365 -0.450 -8.620 1.00 0.89 C ATOM 1910 CD LYS A 127 1.775 -1.904 -8.793 1.00 1.23 C ATOM 1911 CE LYS A 127 0.712 -2.696 -9.537 1.00 1.62 C ATOM 1912 NZ LYS A 127 -0.582 -2.716 -8.801 1.00 2.28 N ATOM 0 H LYS A 127 1.186 1.524 -5.884 1.00 0.14 H new ATOM 0 HA LYS A 127 2.570 -1.064 -6.296 1.00 0.15 H new ATOM 0 HB2 LYS A 127 2.224 1.411 -8.009 1.00 0.18 H new ATOM 0 HB3 LYS A 127 3.399 0.162 -8.369 1.00 0.18 H new ATOM 0 HG2 LYS A 127 0.430 -0.398 -8.062 1.00 0.89 H new ATOM 0 HG3 LYS A 127 1.178 -0.005 -9.597 1.00 0.89 H new ATOM 0 HD2 LYS A 127 2.717 -1.955 -9.338 1.00 1.23 H new ATOM 0 HD3 LYS A 127 1.948 -2.354 -7.815 1.00 1.23 H new ATOM 0 HE2 LYS A 127 0.561 -2.262 -10.525 1.00 1.62 H new ATOM 0 HE3 LYS A 127 1.060 -3.718 -9.688 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 -1.207 -3.435 -9.218 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 -0.409 -2.945 -7.801 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 -1.035 -1.782 -8.869 1.00 2.28 H new ATOM 1926 N ILE A 128 4.535 -0.158 -5.036 1.00 0.16 N ATOM 1927 CA ILE A 128 5.749 0.324 -4.397 1.00 0.19 C ATOM 1928 C ILE A 128 6.999 -0.180 -5.094 1.00 0.18 C ATOM 1929 O ILE A 128 7.240 -1.385 -5.173 1.00 0.22 O ATOM 1930 CB ILE A 128 5.802 -0.097 -2.916 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.485 0.250 -2.217 1.00 0.31 C ATOM 1932 CG2 ILE A 128 6.977 0.574 -2.217 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.401 -0.259 -0.795 1.00 0.82 C ATOM 0 H ILE A 128 4.299 -1.127 -4.822 1.00 0.16 H new ATOM 0 HA ILE A 128 5.722 1.411 -4.470 1.00 0.19 H new ATOM 0 HB ILE A 128 5.943 -1.177 -2.863 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.359 1.333 -2.214 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.658 -0.166 -2.792 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.002 0.267 -1.171 1.00 0.27 H new ATOM 0 HG22 ILE A 128 7.907 0.279 -2.704 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.865 1.657 -2.275 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.441 0.024 -0.363 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.495 -1.345 -0.791 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.207 0.177 -0.204 1.00 0.82 H new ATOM 1945 N HIS A 129 7.793 0.755 -5.595 1.00 0.15 N ATOM 1946 CA HIS A 129 9.037 0.418 -6.260 1.00 0.15 C ATOM 1947 C HIS A 129 10.203 0.965 -5.453 1.00 0.15 C ATOM 1948 O HIS A 129 10.527 2.150 -5.535 1.00 0.15 O ATOM 1949 CB HIS A 129 9.067 0.980 -7.681 1.00 0.15 C ATOM 1950 CG HIS A 129 9.587 0.001 -8.687 1.00 0.17 C ATOM 1951 ND1 HIS A 129 9.046 -0.151 -9.944 1.00 0.22 N ATOM 1952 CD2 HIS A 129 10.594 -0.900 -8.602 1.00 0.20 C ATOM 1953 CE1 HIS A 129 9.695 -1.106 -10.588 1.00 0.26 C ATOM 1954 NE2 HIS A 129 10.642 -1.579 -9.795 1.00 0.26 N ATOM 0 H HIS A 129 7.595 1.755 -5.552 1.00 0.15 H new ATOM 0 HA HIS A 129 9.117 -0.667 -6.328 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.060 1.285 -7.966 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.689 1.875 -7.699 1.00 0.15 H new ATOM 0 HD2 HIS A 129 11.241 -1.056 -7.752 1.00 0.20 H new ATOM 0 HE1 HIS A 129 9.487 -1.443 -11.593 1.00 0.26 H new ATOM 0 HE2 HIS A 129 11.298 -2.324 -10.030 1.00 0.26 H new ATOM 1963 N LEU A 130 10.833 0.093 -4.677 1.00 0.16 N ATOM 1964 CA LEU A 130 11.949 0.496 -3.836 1.00 0.17 C ATOM 1965 C LEU A 130 13.230 0.610 -4.646 1.00 0.17 C ATOM 1966 O LEU A 130 13.642 -0.338 -5.312 1.00 0.25 O ATOM 1967 CB LEU A 130 12.140 -0.501 -2.687 1.00 0.22 C ATOM 1968 CG LEU A 130 12.507 0.126 -1.341 1.00 0.46 C ATOM 1969 CD1 LEU A 130 12.721 -0.948 -0.288 1.00 1.36 C ATOM 1970 CD2 LEU A 130 13.735 1.023 -1.460 1.00 1.41 C ATOM 0 H LEU A 130 10.590 -0.896 -4.613 1.00 0.16 H new ATOM 0 HA LEU A 130 11.719 1.477 -3.420 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.220 -1.073 -2.566 1.00 0.22 H new ATOM 0 HB3 LEU A 130 12.921 -1.209 -2.966 1.00 0.22 H new ATOM 0 HG LEU A 130 11.671 0.752 -1.027 1.00 0.46 H new ATOM 0 HD11 LEU A 130 12.981 -0.480 0.661 1.00 1.36 H new ATOM 0 HD12 LEU A 130 11.806 -1.528 -0.168 1.00 1.36 H new ATOM 0 HD13 LEU A 130 13.530 -1.608 -0.601 1.00 1.36 H new ATOM 0 HD21 LEU A 130 13.968 1.452 -0.485 1.00 1.41 H new ATOM 0 HD22 LEU A 130 14.583 0.434 -1.809 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.533 1.825 -2.170 1.00 1.41 H new ATOM 1982 N ILE A 131 13.844 1.788 -4.605 1.00 0.13 N ATOM 1983 CA ILE A 131 15.085 2.021 -5.328 1.00 0.15 C ATOM 1984 C ILE A 131 16.294 1.763 -4.436 1.00 0.17 C ATOM 1985 O ILE A 131 17.147 0.937 -4.766 1.00 0.22 O ATOM 1986 CB ILE A 131 15.152 3.459 -5.880 1.00 0.18 C ATOM 1987 CG1 ILE A 131 13.940 3.747 -6.775 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.450 3.677 -6.647 1.00 0.26 C ATOM 1989 CD1 ILE A 131 13.857 2.855 -7.999 1.00 1.17 C ATOM 0 H ILE A 131 13.502 2.593 -4.080 1.00 0.13 H new ATOM 0 HA ILE A 131 15.104 1.323 -6.165 1.00 0.15 H new ATOM 0 HB ILE A 131 15.131 4.153 -5.040 1.00 0.18 H new ATOM 0 HG12 ILE A 131 13.030 3.627 -6.187 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.977 4.788 -7.097 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.480 4.697 -7.029 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.298 3.514 -5.981 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.503 2.976 -7.480 1.00 0.26 H new ATOM 0 HD11 ILE A 131 12.975 3.118 -8.582 1.00 1.17 H new ATOM 0 HD12 ILE A 131 14.749 2.991 -8.610 1.00 1.17 H new ATOM 0 HD13 ILE A 131 13.787 1.813 -7.686 1.00 1.17 H new ATOM 2001 N SER A 132 16.363 2.459 -3.302 1.00 0.17 N ATOM 2002 CA SER A 132 17.480 2.289 -2.374 1.00 0.20 C ATOM 2003 C SER A 132 17.157 2.860 -0.993 1.00 0.22 C ATOM 2004 O SER A 132 16.196 3.612 -0.827 1.00 0.23 O ATOM 2005 CB SER A 132 18.739 2.965 -2.923 1.00 0.23 C ATOM 2006 OG SER A 132 18.994 2.583 -4.262 1.00 1.17 O ATOM 0 H SER A 132 15.665 3.141 -3.005 1.00 0.17 H new ATOM 0 HA SER A 132 17.656 1.218 -2.270 1.00 0.20 H new ATOM 0 HB2 SER A 132 18.625 4.048 -2.868 1.00 0.23 H new ATOM 0 HB3 SER A 132 19.594 2.703 -2.300 1.00 0.23 H new ATOM 0 HG SER A 132 18.587 1.709 -4.436 1.00 1.17 H new ATOM 2012 N VAL A 133 17.973 2.488 -0.008 1.00 0.25 N ATOM 2013 CA VAL A 133 17.804 2.960 1.366 1.00 0.29 C ATOM 2014 C VAL A 133 18.898 3.959 1.724 1.00 0.41 C ATOM 2015 O VAL A 133 20.080 3.677 1.535 1.00 0.57 O ATOM 2016 CB VAL A 133 17.852 1.796 2.373 1.00 0.45 C ATOM 2017 CG1 VAL A 133 19.073 0.925 2.121 1.00 1.16 C ATOM 2018 CG2 VAL A 133 17.864 2.325 3.799 1.00 1.43 C ATOM 0 H VAL A 133 18.763 1.856 -0.137 1.00 0.25 H new ATOM 0 HA VAL A 133 16.826 3.439 1.423 1.00 0.29 H new ATOM 0 HB VAL A 133 16.958 1.187 2.238 1.00 0.45 H new ATOM 0 HG11 VAL A 133 19.092 0.107 2.841 1.00 1.16 H new ATOM 0 HG12 VAL A 133 19.027 0.518 1.111 1.00 1.16 H new ATOM 0 HG13 VAL A 133 19.977 1.525 2.230 1.00 1.16 H new ATOM 0 HG21 VAL A 133 17.898 1.489 4.497 1.00 1.43 H new ATOM 0 HG22 VAL A 133 18.741 2.956 3.946 1.00 1.43 H new ATOM 0 HG23 VAL A 133 16.962 2.910 3.978 1.00 1.43 H new ATOM 2028 N LYS A 134 18.498 5.110 2.264 1.00 0.41 N ATOM 2029 CA LYS A 134 19.443 6.162 2.645 1.00 0.58 C ATOM 2030 C LYS A 134 20.627 6.218 1.685 1.00 0.68 C ATOM 2031 O LYS A 134 21.785 6.127 2.098 1.00 1.28 O ATOM 2032 CB LYS A 134 19.935 5.969 4.085 1.00 0.69 C ATOM 2033 CG LYS A 134 20.548 4.607 4.364 1.00 1.69 C ATOM 2034 CD LYS A 134 21.408 4.630 5.620 1.00 1.90 C ATOM 2035 CE LYS A 134 22.711 5.383 5.392 1.00 2.62 C ATOM 2036 NZ LYS A 134 23.569 5.388 6.609 1.00 3.08 N ATOM 0 H LYS A 134 17.521 5.339 2.449 1.00 0.41 H new ATOM 0 HA LYS A 134 18.912 7.112 2.587 1.00 0.58 H new ATOM 0 HB2 LYS A 134 20.673 6.739 4.309 1.00 0.69 H new ATOM 0 HB3 LYS A 134 19.097 6.123 4.765 1.00 0.69 H new ATOM 0 HG2 LYS A 134 19.756 3.867 4.477 1.00 1.69 H new ATOM 0 HG3 LYS A 134 21.154 4.298 3.512 1.00 1.69 H new ATOM 0 HD2 LYS A 134 20.854 5.099 6.433 1.00 1.90 H new ATOM 0 HD3 LYS A 134 21.627 3.608 5.931 1.00 1.90 H new ATOM 0 HE2 LYS A 134 23.255 4.925 4.566 1.00 2.62 H new ATOM 0 HE3 LYS A 134 22.491 6.409 5.099 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 24.447 5.910 6.413 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 23.060 5.847 7.391 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 23.801 4.409 6.874 1.00 3.08 H new ATOM 2050 N LYS A 135 20.322 6.365 0.399 1.00 0.95 N ATOM 2051 CA LYS A 135 21.344 6.434 -0.636 1.00 1.05 C ATOM 2052 C LYS A 135 22.159 5.147 -0.683 1.00 0.97 C ATOM 2053 O LYS A 135 23.385 5.177 -0.807 1.00 0.99 O ATOM 2054 CB LYS A 135 22.261 7.633 -0.397 1.00 1.19 C ATOM 2055 CG LYS A 135 21.574 8.981 -0.572 1.00 1.67 C ATOM 2056 CD LYS A 135 21.070 9.182 -1.995 1.00 2.16 C ATOM 2057 CE LYS A 135 22.216 9.238 -2.997 1.00 2.86 C ATOM 2058 NZ LYS A 135 23.182 10.326 -2.675 1.00 3.16 N ATOM 0 H LYS A 135 19.367 6.439 0.049 1.00 0.95 H new ATOM 0 HA LYS A 135 20.846 6.557 -1.598 1.00 1.05 H new ATOM 0 HB2 LYS A 135 22.667 7.572 0.613 1.00 1.19 H new ATOM 0 HB3 LYS A 135 23.105 7.575 -1.084 1.00 1.19 H new ATOM 0 HG2 LYS A 135 20.738 9.055 0.123 1.00 1.67 H new ATOM 0 HG3 LYS A 135 22.271 9.779 -0.318 1.00 1.67 H new ATOM 0 HD2 LYS A 135 20.395 8.369 -2.260 1.00 2.16 H new ATOM 0 HD3 LYS A 135 20.494 10.105 -2.050 1.00 2.16 H new ATOM 0 HE2 LYS A 135 22.737 8.281 -3.007 1.00 2.86 H new ATOM 0 HE3 LYS A 135 21.815 9.393 -3.999 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 23.784 10.512 -3.503 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 22.661 11.190 -2.424 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 23.777 10.036 -1.873 1.00 3.16 H new ATOM 2072 N SER A 136 21.464 4.019 -0.584 1.00 0.99 N ATOM 2073 CA SER A 136 22.107 2.709 -0.613 1.00 0.96 C ATOM 2074 C SER A 136 23.234 2.630 0.414 1.00 1.03 C ATOM 2075 O SER A 136 24.395 2.422 0.060 1.00 1.31 O ATOM 2076 CB SER A 136 22.649 2.415 -2.013 1.00 0.95 C ATOM 2077 OG SER A 136 23.258 1.137 -2.066 1.00 1.19 O ATOM 0 H SER A 136 20.450 3.985 -0.482 1.00 0.99 H new ATOM 0 HA SER A 136 21.359 1.959 -0.357 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.837 2.465 -2.739 1.00 0.95 H new ATOM 0 HB3 SER A 136 23.374 3.179 -2.293 1.00 0.95 H new ATOM 0 HG SER A 136 24.009 1.106 -1.437 1.00 1.19 H new ATOM 2083 N SER A 137 22.881 2.794 1.688 1.00 0.91 N ATOM 2084 CA SER A 137 23.859 2.749 2.771 1.00 1.03 C ATOM 2085 C SER A 137 25.005 3.726 2.519 1.00 1.82 C ATOM 2086 O SER A 137 24.855 4.914 2.870 1.00 2.51 O ATOM 2087 CB SER A 137 24.407 1.329 2.935 1.00 1.57 C ATOM 2088 OG SER A 137 23.378 0.425 3.294 1.00 2.37 O ATOM 2089 OXT SER A 137 26.045 3.293 1.975 1.00 2.53 O ATOM 0 H SER A 137 21.922 2.960 1.995 1.00 0.91 H new ATOM 0 HA SER A 137 23.354 3.044 3.691 1.00 1.03 H new ATOM 0 HB2 SER A 137 24.872 1.005 2.004 1.00 1.57 H new ATOM 0 HB3 SER A 137 25.185 1.322 3.699 1.00 1.57 H new ATOM 0 HG SER A 137 23.716 -0.207 3.962 1.00 2.37 H new