USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1090 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 65 ASN : amide:sc= 0.44 K(o=2.1,f=-4.1) USER MOD Set 1.2: A 69 GLN : amide:sc= 1.64 K(o=2.1,f=-4.1!) USER MOD Set 2.1: A 13 ASN : amide:sc= 1.18 K(o=2.7,f=-2.8!) USER MOD Set 2.2: A 46 TYR OH : rot 58:sc= 1.54 USER MOD Set 3.1: A 26 SER OG : rot 86:sc= 0.254 USER MOD Set 3.2: A 66 HIS : no HD1:sc= 0 X(o=0.25,f=0.11) USER MOD Set 4.1: A 23 SER OG : rot 174:sc= 0.968 USER MOD Set 4.2: A 27 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0) USER MOD Set 5.1: A 18 SER OG : rot -85:sc= 1.77 USER MOD Set 5.2: A 21 SER OG : rot 138:sc= 1.19 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -60:sc= 0.972 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 68:sc= 0.461 USER MOD Single : A 19 GLN : amide:sc= 1.34 K(o=1.3,f=-3.8!) USER MOD Single : A 24 SER OG : rot 96:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc= 1.15 K(o=1.2,f=-0.55) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0762) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0392 (180deg=-0.381) USER MOD Single : A 44 LYS NZ :NH3+ -123:sc= 1.21 (180deg=-0.3) USER MOD Single : A 47 MET CE :methyl 145:sc= -0.682 (180deg=-1.63) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 53 ASN : amide:sc= -0.647 K(o=-0.65,f=-7.2!) USER MOD Single : A 54 THR OG1 : rot 92:sc= 0.119 USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= 0.754 (180deg=0.0498!) USER MOD Single : A 62 TYR OH : rot -130:sc= -0.682 USER MOD Single : A 64 MET CE :methyl -121:sc= -0.141 (180deg=-0.67) USER MOD Single : A 70 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.26) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0871) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0622) USER MOD Single : A 78 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.4!) USER MOD Single : A 80 GLN : amide:sc= -1.51! C(o=-1.5!,f=-2!) USER MOD Single : A 82 SER OG : rot 64:sc= 1.24 USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.14) USER MOD Single : A 95 ASN : amide:sc= -0.952 K(o=-0.95,f=-1.9) USER MOD Single : A 96 GLN : amide:sc= 0.758 K(o=0.76,f=-0.15) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -157:sc= 1.35 (180deg=1.17) USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0332) USER MOD Single : A 107 SER OG : rot -87:sc= 1.27 USER MOD Single : A 111 ASN : amide:sc= 1.02 K(o=1,f=-0.032) USER MOD Single : A 114 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.12) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 120 SER OG : rot 180:sc= 0.152 USER MOD Single : A 121 LYS NZ :NH3+ 172:sc= -0.127 (180deg=-0.247) USER MOD Single : A 122 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.18) USER MOD Single : A 125 ASN : amide:sc= 0.321 X(o=0.32,f=-0.11) USER MOD Single : A 130 SER OG : rot 63:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 14.670 -5.181 -6.931 1.00 0.63 N ATOM 69 CA GLN A 7 14.943 -5.002 -5.509 1.00 0.61 C ATOM 70 C GLN A 7 13.655 -4.840 -4.708 1.00 0.52 C ATOM 71 O GLN A 7 13.540 -5.363 -3.605 1.00 0.61 O ATOM 72 CB GLN A 7 15.850 -3.790 -5.283 1.00 0.75 C ATOM 73 CG GLN A 7 17.331 -4.138 -5.221 1.00 1.58 C ATOM 74 CD GLN A 7 18.208 -2.923 -4.991 1.00 2.04 C ATOM 75 OE1 GLN A 7 18.479 -2.541 -3.853 1.00 2.40 O ATOM 76 NE2 GLN A 7 18.667 -2.318 -6.073 1.00 2.75 N ATOM 0 HA GLN A 7 15.452 -5.900 -5.159 1.00 0.61 H new ATOM 0 HB2 GLN A 7 15.688 -3.071 -6.086 1.00 0.75 H new ATOM 0 HB3 GLN A 7 15.562 -3.300 -4.353 1.00 0.75 H new ATOM 0 HG2 GLN A 7 17.498 -4.858 -4.420 1.00 1.58 H new ATOM 0 HG3 GLN A 7 17.625 -4.623 -6.152 1.00 1.58 H new ATOM 0 HE21 GLN A 7 18.417 -2.668 -6.998 1.00 2.75 H new ATOM 0 HE22 GLN A 7 19.271 -1.501 -5.983 1.00 2.75 H new ATOM 85 N PHE A 8 12.689 -4.132 -5.272 1.00 0.49 N ATOM 86 CA PHE A 8 11.417 -3.905 -4.597 1.00 0.45 C ATOM 87 C PHE A 8 10.534 -5.148 -4.673 1.00 0.44 C ATOM 88 O PHE A 8 9.927 -5.557 -3.683 1.00 0.42 O ATOM 89 CB PHE A 8 10.694 -2.706 -5.222 1.00 0.51 C ATOM 90 CG PHE A 8 9.403 -2.344 -4.537 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.413 -1.619 -3.359 1.00 0.89 C ATOM 92 CD2 PHE A 8 8.182 -2.729 -5.072 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.231 -1.282 -2.725 1.00 0.91 C ATOM 94 CE2 PHE A 8 6.998 -2.396 -4.444 1.00 0.90 C ATOM 95 CZ PHE A 8 7.023 -1.672 -3.269 1.00 0.55 C ATOM 0 H PHE A 8 12.760 -3.704 -6.195 1.00 0.49 H new ATOM 0 HA PHE A 8 11.619 -3.691 -3.548 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.359 -1.843 -5.201 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.488 -2.925 -6.270 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.355 -1.312 -2.929 1.00 0.89 H new ATOM 0 HD2 PHE A 8 8.157 -3.296 -5.991 1.00 0.88 H new ATOM 0 HE1 PHE A 8 8.253 -0.715 -1.806 1.00 0.91 H new ATOM 0 HE2 PHE A 8 6.054 -2.701 -4.871 1.00 0.90 H new ATOM 0 HZ PHE A 8 6.099 -1.411 -2.775 1.00 0.55 H new ATOM 105 N THR A 9 10.485 -5.752 -5.851 1.00 0.50 N ATOM 106 CA THR A 9 9.675 -6.938 -6.081 1.00 0.56 C ATOM 107 C THR A 9 10.095 -8.110 -5.194 1.00 0.56 C ATOM 108 O THR A 9 9.247 -8.823 -4.654 1.00 0.60 O ATOM 109 CB THR A 9 9.759 -7.356 -7.555 1.00 0.67 C ATOM 110 OG1 THR A 9 10.390 -6.313 -8.310 1.00 0.76 O ATOM 111 CG2 THR A 9 8.375 -7.628 -8.119 1.00 0.86 C ATOM 0 H THR A 9 11.003 -5.435 -6.671 1.00 0.50 H new ATOM 0 HA THR A 9 8.648 -6.679 -5.824 1.00 0.56 H new ATOM 0 HB THR A 9 10.346 -8.272 -7.625 1.00 0.67 H new ATOM 0 HG1 THR A 9 9.864 -5.490 -8.233 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.460 -7.923 -9.165 1.00 0.86 H new ATOM 0 HG22 THR A 9 7.903 -8.431 -7.553 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.768 -6.726 -8.044 1.00 0.86 H new ATOM 119 N THR A 10 11.402 -8.299 -5.032 1.00 0.57 N ATOM 120 CA THR A 10 11.911 -9.392 -4.215 1.00 0.63 C ATOM 121 C THR A 10 11.618 -9.163 -2.730 1.00 0.58 C ATOM 122 O THR A 10 11.534 -10.121 -1.960 1.00 0.66 O ATOM 123 CB THR A 10 13.429 -9.622 -4.434 1.00 0.71 C ATOM 124 OG1 THR A 10 13.794 -10.939 -3.993 1.00 1.42 O ATOM 125 CG2 THR A 10 14.270 -8.589 -3.692 1.00 1.31 C ATOM 0 H THR A 10 12.122 -7.713 -5.454 1.00 0.57 H new ATOM 0 HA THR A 10 11.387 -10.292 -4.536 1.00 0.63 H new ATOM 0 HB THR A 10 13.627 -9.518 -5.501 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.754 -11.078 -4.136 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.327 -8.784 -3.871 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.020 -7.591 -4.051 1.00 1.31 H new ATOM 0 HG23 THR A 10 14.065 -8.653 -2.623 1.00 1.31 H new ATOM 133 N LYS A 11 11.442 -7.902 -2.332 1.00 0.51 N ATOM 134 CA LYS A 11 11.146 -7.580 -0.938 1.00 0.50 C ATOM 135 C LYS A 11 9.758 -8.085 -0.569 1.00 0.48 C ATOM 136 O LYS A 11 9.538 -8.584 0.535 1.00 0.52 O ATOM 137 CB LYS A 11 11.219 -6.068 -0.693 1.00 0.50 C ATOM 138 CG LYS A 11 12.629 -5.502 -0.723 1.00 0.59 C ATOM 139 CD LYS A 11 13.431 -5.911 0.502 1.00 0.80 C ATOM 140 CE LYS A 11 14.867 -5.419 0.411 1.00 1.06 C ATOM 141 NZ LYS A 11 15.662 -5.783 1.614 1.00 1.30 N ATOM 0 H LYS A 11 11.499 -7.093 -2.951 1.00 0.51 H new ATOM 0 HA LYS A 11 11.893 -8.070 -0.314 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.619 -5.559 -1.447 1.00 0.50 H new ATOM 0 HB3 LYS A 11 10.770 -5.846 0.275 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.139 -5.847 -1.622 1.00 0.59 H new ATOM 0 HG3 LYS A 11 12.582 -4.414 -0.780 1.00 0.59 H new ATOM 0 HD2 LYS A 11 12.962 -5.506 1.399 1.00 0.80 H new ATOM 0 HD3 LYS A 11 13.422 -6.997 0.600 1.00 0.80 H new ATOM 0 HE2 LYS A 11 15.339 -5.842 -0.476 1.00 1.06 H new ATOM 0 HE3 LYS A 11 14.871 -4.336 0.289 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 16.634 -5.428 1.508 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 15.228 -5.359 2.458 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 15.681 -6.818 1.718 1.00 1.30 H new ATOM 155 N LEU A 12 8.836 -7.974 -1.518 1.00 0.47 N ATOM 156 CA LEU A 12 7.458 -8.410 -1.321 1.00 0.50 C ATOM 157 C LEU A 12 7.388 -9.910 -1.056 1.00 0.56 C ATOM 158 O LEU A 12 6.535 -10.380 -0.305 1.00 0.65 O ATOM 159 CB LEU A 12 6.615 -8.068 -2.555 1.00 0.54 C ATOM 160 CG LEU A 12 5.769 -6.794 -2.453 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.662 -6.967 -1.426 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.638 -5.594 -2.111 1.00 0.84 C ATOM 0 H LEU A 12 9.021 -7.581 -2.441 1.00 0.47 H new ATOM 0 HA LEU A 12 7.062 -7.886 -0.451 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.282 -7.971 -3.412 1.00 0.54 H new ATOM 0 HB3 LEU A 12 5.951 -8.907 -2.762 1.00 0.54 H new ATOM 0 HG LEU A 12 5.309 -6.613 -3.424 1.00 0.66 H new ATOM 0 HD11 LEU A 12 4.073 -6.052 -1.368 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.018 -7.795 -1.721 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.100 -7.178 -0.451 1.00 1.57 H new ATOM 0 HD21 LEU A 12 6.016 -4.702 -2.044 1.00 0.84 H new ATOM 0 HD22 LEU A 12 7.133 -5.764 -1.155 1.00 0.84 H new ATOM 0 HD23 LEU A 12 7.389 -5.455 -2.889 1.00 0.84 H new ATOM 174 N ASN A 13 8.304 -10.653 -1.662 1.00 0.60 N ATOM 175 CA ASN A 13 8.336 -12.104 -1.504 1.00 0.71 C ATOM 176 C ASN A 13 8.943 -12.502 -0.161 1.00 0.72 C ATOM 177 O ASN A 13 8.854 -13.660 0.249 1.00 0.87 O ATOM 178 CB ASN A 13 9.128 -12.761 -2.642 1.00 0.82 C ATOM 179 CG ASN A 13 8.606 -12.409 -4.024 1.00 1.14 C ATOM 180 OD1 ASN A 13 7.445 -12.033 -4.193 1.00 1.53 O ATOM 181 ND2 ASN A 13 9.461 -12.544 -5.026 1.00 1.59 N ATOM 0 H ASN A 13 9.034 -10.278 -2.267 1.00 0.60 H new ATOM 0 HA ASN A 13 7.305 -12.456 -1.538 1.00 0.71 H new ATOM 0 HB2 ASN A 13 10.173 -12.459 -2.569 1.00 0.82 H new ATOM 0 HB3 ASN A 13 9.100 -13.843 -2.516 1.00 0.82 H new ATOM 0 HD21 ASN A 13 9.166 -12.334 -5.980 1.00 1.59 H new ATOM 0 HD22 ASN A 13 10.414 -12.858 -4.844 1.00 1.59 H new ATOM 188 N THR A 14 9.545 -11.539 0.530 1.00 0.67 N ATOM 189 CA THR A 14 10.172 -11.808 1.818 1.00 0.74 C ATOM 190 C THR A 14 9.431 -11.105 2.960 1.00 0.68 C ATOM 191 O THR A 14 9.908 -11.071 4.097 1.00 0.81 O ATOM 192 CB THR A 14 11.649 -11.360 1.818 1.00 0.85 C ATOM 193 OG1 THR A 14 12.161 -11.356 0.475 1.00 1.63 O ATOM 194 CG2 THR A 14 12.495 -12.286 2.680 1.00 1.47 C ATOM 0 H THR A 14 9.612 -10.569 0.221 1.00 0.67 H new ATOM 0 HA THR A 14 10.122 -12.885 1.978 1.00 0.74 H new ATOM 0 HB THR A 14 11.699 -10.353 2.232 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.723 -10.646 -0.040 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.532 -11.951 2.665 1.00 1.47 H new ATOM 0 HG22 THR A 14 12.123 -12.270 3.705 1.00 1.47 H new ATOM 0 HG23 THR A 14 12.436 -13.302 2.289 1.00 1.47 H new ATOM 202 N LEU A 15 8.265 -10.549 2.661 1.00 0.61 N ATOM 203 CA LEU A 15 7.485 -9.854 3.675 1.00 0.61 C ATOM 204 C LEU A 15 6.600 -10.818 4.451 1.00 0.60 C ATOM 205 O LEU A 15 6.378 -11.957 4.033 1.00 0.71 O ATOM 206 CB LEU A 15 6.631 -8.754 3.044 1.00 0.65 C ATOM 207 CG LEU A 15 7.367 -7.443 2.754 1.00 0.73 C ATOM 208 CD1 LEU A 15 6.408 -6.408 2.190 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.036 -6.913 4.015 1.00 0.88 C ATOM 0 H LEU A 15 7.841 -10.565 1.733 1.00 0.61 H new ATOM 0 HA LEU A 15 8.188 -9.398 4.372 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.213 -9.131 2.111 1.00 0.65 H new ATOM 0 HB3 LEU A 15 5.792 -8.542 3.707 1.00 0.65 H new ATOM 0 HG LEU A 15 8.140 -7.642 2.011 1.00 0.73 H new ATOM 0 HD11 LEU A 15 6.948 -5.483 1.990 1.00 1.10 H new ATOM 0 HD12 LEU A 15 5.973 -6.782 1.263 1.00 1.10 H new ATOM 0 HD13 LEU A 15 5.614 -6.216 2.912 1.00 1.10 H new ATOM 0 HD21 LEU A 15 8.554 -5.981 3.788 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.280 -6.731 4.779 1.00 0.88 H new ATOM 0 HD23 LEU A 15 8.754 -7.647 4.382 1.00 0.88 H new ATOM 221 N GLU A 16 6.094 -10.347 5.579 1.00 0.65 N ATOM 222 CA GLU A 16 5.234 -11.145 6.438 1.00 0.72 C ATOM 223 C GLU A 16 4.167 -10.251 7.060 1.00 0.70 C ATOM 224 O GLU A 16 4.257 -9.025 6.976 1.00 0.70 O ATOM 225 CB GLU A 16 6.060 -11.822 7.534 1.00 0.83 C ATOM 226 CG GLU A 16 5.471 -13.131 8.035 1.00 1.28 C ATOM 227 CD GLU A 16 5.814 -13.402 9.483 1.00 1.56 C ATOM 228 OE1 GLU A 16 5.130 -12.853 10.376 1.00 2.16 O ATOM 229 OE2 GLU A 16 6.767 -14.167 9.740 1.00 2.16 O ATOM 0 H GLU A 16 6.267 -9.403 5.925 1.00 0.65 H new ATOM 0 HA GLU A 16 4.752 -11.920 5.842 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.064 -12.010 7.154 1.00 0.83 H new ATOM 0 HB3 GLU A 16 6.161 -11.136 8.375 1.00 0.83 H new ATOM 0 HG2 GLU A 16 4.387 -13.106 7.920 1.00 1.28 H new ATOM 0 HG3 GLU A 16 5.838 -13.951 7.418 1.00 1.28 H new ATOM 236 N ASP A 17 3.174 -10.854 7.701 1.00 0.77 N ATOM 237 CA ASP A 17 2.096 -10.094 8.326 1.00 0.82 C ATOM 238 C ASP A 17 2.484 -9.623 9.730 1.00 0.79 C ATOM 239 O ASP A 17 1.685 -9.668 10.666 1.00 1.05 O ATOM 240 CB ASP A 17 0.806 -10.925 8.380 1.00 1.00 C ATOM 241 CG ASP A 17 0.979 -12.268 9.069 1.00 1.27 C ATOM 242 OD1 ASP A 17 1.396 -13.235 8.393 1.00 1.94 O ATOM 243 OD2 ASP A 17 0.677 -12.367 10.277 1.00 1.78 O ATOM 0 H ASP A 17 3.092 -11.866 7.802 1.00 0.77 H new ATOM 0 HA ASP A 17 1.918 -9.211 7.712 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.037 -10.355 8.901 1.00 1.00 H new ATOM 0 HB3 ASP A 17 0.447 -11.090 7.364 1.00 1.00 H new ATOM 248 N SER A 18 3.717 -9.162 9.867 1.00 0.74 N ATOM 249 CA SER A 18 4.221 -8.666 11.138 1.00 0.75 C ATOM 250 C SER A 18 4.622 -7.202 10.996 1.00 0.69 C ATOM 251 O SER A 18 5.208 -6.812 9.984 1.00 0.78 O ATOM 252 CB SER A 18 5.413 -9.511 11.588 1.00 0.84 C ATOM 253 OG SER A 18 5.908 -10.297 10.514 1.00 1.61 O ATOM 0 H SER A 18 4.394 -9.121 9.105 1.00 0.74 H new ATOM 0 HA SER A 18 3.439 -8.741 11.894 1.00 0.75 H new ATOM 0 HB2 SER A 18 6.204 -8.862 11.964 1.00 0.84 H new ATOM 0 HB3 SER A 18 5.115 -10.159 12.412 1.00 0.84 H new ATOM 0 HG SER A 18 5.398 -11.132 10.458 1.00 1.61 H new ATOM 259 N GLN A 19 4.308 -6.397 12.005 1.00 0.76 N ATOM 260 CA GLN A 19 4.626 -4.973 11.968 1.00 0.79 C ATOM 261 C GLN A 19 6.133 -4.751 11.868 1.00 0.73 C ATOM 262 O GLN A 19 6.584 -3.885 11.128 1.00 0.73 O ATOM 263 CB GLN A 19 4.034 -4.238 13.184 1.00 1.04 C ATOM 264 CG GLN A 19 4.787 -4.452 14.492 1.00 1.45 C ATOM 265 CD GLN A 19 4.703 -5.880 14.996 1.00 2.07 C ATOM 266 OE1 GLN A 19 3.708 -6.573 14.770 1.00 2.64 O ATOM 267 NE2 GLN A 19 5.748 -6.334 15.663 1.00 2.54 N ATOM 0 H GLN A 19 3.836 -6.704 12.855 1.00 0.76 H new ATOM 0 HA GLN A 19 4.167 -4.552 11.073 1.00 0.79 H new ATOM 0 HB2 GLN A 19 4.008 -3.170 12.967 1.00 1.04 H new ATOM 0 HB3 GLN A 19 3.002 -4.561 13.319 1.00 1.04 H new ATOM 0 HG2 GLN A 19 5.834 -4.183 14.351 1.00 1.45 H new ATOM 0 HG3 GLN A 19 4.385 -3.780 15.251 1.00 1.45 H new ATOM 0 HE21 GLN A 19 6.551 -5.727 15.828 1.00 2.54 H new ATOM 0 HE22 GLN A 19 5.753 -7.292 16.013 1.00 2.54 H new ATOM 276 N GLU A 20 6.905 -5.559 12.584 1.00 0.80 N ATOM 277 CA GLU A 20 8.356 -5.448 12.558 1.00 0.87 C ATOM 278 C GLU A 20 8.882 -5.728 11.154 1.00 0.75 C ATOM 279 O GLU A 20 9.755 -5.022 10.649 1.00 0.80 O ATOM 280 CB GLU A 20 8.981 -6.418 13.568 1.00 1.09 C ATOM 281 CG GLU A 20 9.716 -5.729 14.710 1.00 1.59 C ATOM 282 CD GLU A 20 8.928 -4.584 15.320 1.00 2.23 C ATOM 283 OE1 GLU A 20 7.971 -4.845 16.082 1.00 2.69 O ATOM 284 OE2 GLU A 20 9.269 -3.416 15.045 1.00 2.99 O ATOM 0 H GLU A 20 6.549 -6.298 13.190 1.00 0.80 H new ATOM 0 HA GLU A 20 8.634 -4.432 12.836 1.00 0.87 H new ATOM 0 HB2 GLU A 20 8.196 -7.051 13.983 1.00 1.09 H new ATOM 0 HB3 GLU A 20 9.676 -7.074 13.045 1.00 1.09 H new ATOM 0 HG2 GLU A 20 9.939 -6.462 15.485 1.00 1.59 H new ATOM 0 HG3 GLU A 20 10.671 -5.351 14.344 1.00 1.59 H new ATOM 291 N SER A 21 8.319 -6.746 10.513 1.00 0.69 N ATOM 292 CA SER A 21 8.728 -7.124 9.166 1.00 0.67 C ATOM 293 C SER A 21 8.394 -6.021 8.162 1.00 0.54 C ATOM 294 O SER A 21 9.236 -5.641 7.346 1.00 0.58 O ATOM 295 CB SER A 21 8.051 -8.433 8.766 1.00 0.74 C ATOM 296 OG SER A 21 8.272 -9.429 9.750 1.00 1.10 O ATOM 0 H SER A 21 7.577 -7.325 10.906 1.00 0.69 H new ATOM 0 HA SER A 21 9.809 -7.266 9.160 1.00 0.67 H new ATOM 0 HB2 SER A 21 6.981 -8.271 8.638 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.439 -8.771 7.805 1.00 0.74 H new ATOM 0 HG SER A 21 7.443 -9.930 9.900 1.00 1.10 H new ATOM 302 N ILE A 22 7.168 -5.503 8.238 1.00 0.47 N ATOM 303 CA ILE A 22 6.728 -4.438 7.341 1.00 0.42 C ATOM 304 C ILE A 22 7.532 -3.165 7.598 1.00 0.42 C ATOM 305 O ILE A 22 8.006 -2.518 6.663 1.00 0.42 O ATOM 306 CB ILE A 22 5.218 -4.137 7.509 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.379 -5.388 7.209 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.791 -2.983 6.606 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.446 -5.850 5.769 1.00 0.88 C ATOM 0 H ILE A 22 6.464 -5.804 8.911 1.00 0.47 H new ATOM 0 HA ILE A 22 6.897 -4.780 6.320 1.00 0.42 H new ATOM 0 HB ILE A 22 5.046 -3.845 8.545 1.00 0.47 H new ATOM 0 HG12 ILE A 22 4.714 -6.200 7.855 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.339 -5.184 7.465 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.727 -2.790 6.741 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.358 -2.089 6.865 1.00 0.54 H new ATOM 0 HG23 ILE A 22 4.983 -3.245 5.565 1.00 0.54 H new ATOM 0 HD11 ILE A 22 3.826 -6.738 5.642 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.082 -5.057 5.115 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.478 -6.088 5.511 1.00 0.88 H new ATOM 321 N SER A 23 7.701 -2.834 8.872 1.00 0.46 N ATOM 322 CA SER A 23 8.449 -1.650 9.283 1.00 0.50 C ATOM 323 C SER A 23 9.866 -1.669 8.711 1.00 0.49 C ATOM 324 O SER A 23 10.350 -0.661 8.196 1.00 0.55 O ATOM 325 CB SER A 23 8.487 -1.577 10.818 1.00 0.59 C ATOM 326 OG SER A 23 9.328 -0.534 11.279 1.00 1.18 O ATOM 0 H SER A 23 7.325 -3.377 9.649 1.00 0.46 H new ATOM 0 HA SER A 23 7.948 -0.765 8.892 1.00 0.50 H new ATOM 0 HB2 SER A 23 7.477 -1.424 11.199 1.00 0.59 H new ATOM 0 HB3 SER A 23 8.837 -2.529 11.218 1.00 0.59 H new ATOM 0 HG SER A 23 9.250 -0.457 12.253 1.00 1.18 H new ATOM 332 N SER A 24 10.507 -2.829 8.770 1.00 0.50 N ATOM 333 CA SER A 24 11.868 -2.988 8.271 1.00 0.54 C ATOM 334 C SER A 24 11.973 -2.647 6.781 1.00 0.50 C ATOM 335 O SER A 24 12.966 -2.069 6.336 1.00 0.67 O ATOM 336 CB SER A 24 12.346 -4.417 8.520 1.00 0.62 C ATOM 337 OG SER A 24 12.270 -4.743 9.898 1.00 1.16 O ATOM 0 H SER A 24 10.103 -3.680 9.161 1.00 0.50 H new ATOM 0 HA SER A 24 12.506 -2.289 8.812 1.00 0.54 H new ATOM 0 HB2 SER A 24 11.738 -5.114 7.943 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.373 -4.527 8.172 1.00 0.62 H new ATOM 0 HG SER A 24 11.432 -5.219 10.076 1.00 1.16 H new ATOM 343 N ALA A 25 10.944 -2.997 6.018 1.00 0.42 N ATOM 344 CA ALA A 25 10.935 -2.731 4.586 1.00 0.40 C ATOM 345 C ALA A 25 10.485 -1.301 4.295 1.00 0.36 C ATOM 346 O ALA A 25 11.048 -0.627 3.433 1.00 0.37 O ATOM 347 CB ALA A 25 10.034 -3.727 3.874 1.00 0.45 C ATOM 0 H ALA A 25 10.107 -3.465 6.367 1.00 0.42 H new ATOM 0 HA ALA A 25 11.952 -2.845 4.212 1.00 0.40 H new ATOM 0 HB1 ALA A 25 10.035 -3.518 2.804 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.402 -4.738 4.047 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.018 -3.639 4.260 1.00 0.45 H new ATOM 353 N SER A 26 9.482 -0.840 5.029 1.00 0.36 N ATOM 354 CA SER A 26 8.949 0.505 4.852 1.00 0.37 C ATOM 355 C SER A 26 10.011 1.559 5.152 1.00 0.36 C ATOM 356 O SER A 26 10.163 2.529 4.409 1.00 0.37 O ATOM 357 CB SER A 26 7.735 0.706 5.757 1.00 0.46 C ATOM 358 OG SER A 26 6.819 -0.362 5.604 1.00 1.32 O ATOM 0 H SER A 26 9.018 -1.382 5.758 1.00 0.36 H new ATOM 0 HA SER A 26 8.644 0.620 3.812 1.00 0.37 H new ATOM 0 HB2 SER A 26 8.056 0.771 6.797 1.00 0.46 H new ATOM 0 HB3 SER A 26 7.246 1.650 5.515 1.00 0.46 H new ATOM 0 HG SER A 26 7.073 -1.098 6.199 1.00 1.32 H new ATOM 364 N LYS A 27 10.755 1.354 6.232 1.00 0.39 N ATOM 365 CA LYS A 27 11.805 2.284 6.619 1.00 0.44 C ATOM 366 C LYS A 27 12.897 2.316 5.552 1.00 0.39 C ATOM 367 O LYS A 27 13.424 3.376 5.226 1.00 0.45 O ATOM 368 CB LYS A 27 12.393 1.901 7.983 1.00 0.53 C ATOM 369 CG LYS A 27 11.717 2.594 9.164 1.00 0.90 C ATOM 370 CD LYS A 27 10.228 2.285 9.233 1.00 1.41 C ATOM 371 CE LYS A 27 9.566 2.956 10.427 1.00 1.90 C ATOM 372 NZ LYS A 27 9.609 2.110 11.649 1.00 2.38 N ATOM 0 H LYS A 27 10.650 0.552 6.854 1.00 0.39 H new ATOM 0 HA LYS A 27 11.372 3.281 6.706 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.312 0.822 8.113 1.00 0.53 H new ATOM 0 HB3 LYS A 27 13.455 2.144 7.991 1.00 0.53 H new ATOM 0 HG2 LYS A 27 12.196 2.279 10.091 1.00 0.90 H new ATOM 0 HG3 LYS A 27 11.860 3.671 9.082 1.00 0.90 H new ATOM 0 HD2 LYS A 27 9.745 2.619 8.315 1.00 1.41 H new ATOM 0 HD3 LYS A 27 10.083 1.206 9.296 1.00 1.41 H new ATOM 0 HE2 LYS A 27 10.062 3.905 10.628 1.00 1.90 H new ATOM 0 HE3 LYS A 27 8.529 3.184 10.183 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 8.892 2.441 12.326 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 9.413 1.121 11.394 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 10.552 2.175 12.083 1.00 2.38 H new ATOM 386 N TRP A 28 13.202 1.148 4.994 1.00 0.36 N ATOM 387 CA TRP A 28 14.218 1.031 3.954 1.00 0.38 C ATOM 388 C TRP A 28 13.781 1.784 2.700 1.00 0.35 C ATOM 389 O TRP A 28 14.591 2.429 2.032 1.00 0.43 O ATOM 390 CB TRP A 28 14.470 -0.446 3.623 1.00 0.42 C ATOM 391 CG TRP A 28 15.609 -0.666 2.673 1.00 0.54 C ATOM 392 CD1 TRP A 28 16.936 -0.486 2.932 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.522 -1.113 1.312 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.679 -0.786 1.817 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.834 -1.175 0.811 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.461 -1.464 0.468 1.00 0.70 C ATOM 397 CZ2 TRP A 28 17.117 -1.579 -0.492 1.00 0.94 C ATOM 398 CZ3 TRP A 28 14.744 -1.864 -0.826 1.00 0.89 C ATOM 399 CH2 TRP A 28 16.061 -1.916 -1.295 1.00 0.98 C ATOM 0 H TRP A 28 12.757 0.265 5.247 1.00 0.36 H new ATOM 0 HA TRP A 28 15.145 1.472 4.321 1.00 0.38 H new ATOM 0 HB2 TRP A 28 14.670 -0.987 4.548 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.563 -0.873 3.194 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.343 -0.156 3.876 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.695 -0.729 1.749 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.441 -1.423 0.821 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 18.133 -1.625 -0.855 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 13.934 -2.141 -1.485 1.00 0.89 H new ATOM 0 HH2 TRP A 28 16.248 -2.229 -2.312 1.00 0.98 H new ATOM 410 N LEU A 29 12.492 1.705 2.394 1.00 0.32 N ATOM 411 CA LEU A 29 11.934 2.380 1.228 1.00 0.35 C ATOM 412 C LEU A 29 11.987 3.896 1.392 1.00 0.36 C ATOM 413 O LEU A 29 12.397 4.617 0.481 1.00 0.39 O ATOM 414 CB LEU A 29 10.484 1.940 1.005 1.00 0.41 C ATOM 415 CG LEU A 29 10.256 0.999 -0.181 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.633 1.680 -1.488 1.00 1.10 C ATOM 417 CD2 LEU A 29 11.042 -0.291 -0.008 1.00 1.30 C ATOM 0 H LEU A 29 11.810 1.178 2.940 1.00 0.32 H new ATOM 0 HA LEU A 29 12.536 2.103 0.362 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.129 1.448 1.910 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.870 2.830 0.864 1.00 0.41 H new ATOM 0 HG LEU A 29 9.195 0.751 -0.215 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.463 0.994 -2.318 1.00 1.10 H new ATOM 0 HD12 LEU A 29 10.021 2.572 -1.623 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.685 1.963 -1.461 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.864 -0.943 -0.863 1.00 1.30 H new ATOM 0 HD22 LEU A 29 12.106 -0.063 0.059 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.721 -0.793 0.905 1.00 1.30 H new ATOM 429 N LEU A 30 11.595 4.367 2.569 1.00 0.38 N ATOM 430 CA LEU A 30 11.578 5.797 2.867 1.00 0.44 C ATOM 431 C LEU A 30 12.981 6.404 2.848 1.00 0.48 C ATOM 432 O LEU A 30 13.138 7.614 2.686 1.00 0.60 O ATOM 433 CB LEU A 30 10.926 6.038 4.229 1.00 0.51 C ATOM 434 CG LEU A 30 9.421 5.779 4.281 1.00 0.72 C ATOM 435 CD1 LEU A 30 8.941 5.727 5.723 1.00 1.06 C ATOM 436 CD2 LEU A 30 8.670 6.853 3.510 1.00 1.00 C ATOM 0 H LEU A 30 11.282 3.776 3.339 1.00 0.38 H new ATOM 0 HA LEU A 30 10.996 6.288 2.087 1.00 0.44 H new ATOM 0 HB2 LEU A 30 11.414 5.401 4.966 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.112 7.070 4.526 1.00 0.51 H new ATOM 0 HG LEU A 30 9.220 4.815 3.814 1.00 0.72 H new ATOM 0 HD11 LEU A 30 7.867 5.542 5.743 1.00 1.06 H new ATOM 0 HD12 LEU A 30 9.457 4.924 6.250 1.00 1.06 H new ATOM 0 HD13 LEU A 30 9.154 6.678 6.212 1.00 1.06 H new ATOM 0 HD21 LEU A 30 7.599 6.653 3.557 1.00 1.00 H new ATOM 0 HD22 LEU A 30 8.877 7.829 3.950 1.00 1.00 H new ATOM 0 HD23 LEU A 30 8.994 6.848 2.469 1.00 1.00 H new ATOM 448 N LEU A 31 13.996 5.564 3.013 1.00 0.45 N ATOM 449 CA LEU A 31 15.377 6.032 3.013 1.00 0.53 C ATOM 450 C LEU A 31 15.808 6.465 1.613 1.00 0.54 C ATOM 451 O LEU A 31 16.703 7.293 1.459 1.00 0.70 O ATOM 452 CB LEU A 31 16.319 4.941 3.535 1.00 0.58 C ATOM 453 CG LEU A 31 16.170 4.596 5.019 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.189 3.541 5.417 1.00 1.59 C ATOM 455 CD2 LEU A 31 16.329 5.842 5.875 1.00 1.71 C ATOM 0 H LEU A 31 13.890 4.559 3.148 1.00 0.45 H new ATOM 0 HA LEU A 31 15.435 6.895 3.676 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.156 4.035 2.951 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.347 5.256 3.355 1.00 0.58 H new ATOM 0 HG LEU A 31 15.170 4.194 5.184 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.073 3.304 6.475 1.00 1.59 H new ATOM 0 HD12 LEU A 31 17.031 2.640 4.824 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.195 3.921 5.238 1.00 1.59 H new ATOM 0 HD21 LEU A 31 16.220 5.577 6.927 1.00 1.71 H new ATOM 0 HD22 LEU A 31 17.316 6.273 5.710 1.00 1.71 H new ATOM 0 HD23 LEU A 31 15.565 6.570 5.603 1.00 1.71 H new ATOM 467 N GLN A 32 15.153 5.924 0.597 1.00 0.49 N ATOM 468 CA GLN A 32 15.487 6.258 -0.779 1.00 0.56 C ATOM 469 C GLN A 32 14.245 6.659 -1.559 1.00 0.48 C ATOM 470 O GLN A 32 13.777 5.925 -2.432 1.00 0.53 O ATOM 471 CB GLN A 32 16.203 5.094 -1.469 1.00 0.69 C ATOM 472 CG GLN A 32 15.809 3.725 -0.939 1.00 0.80 C ATOM 473 CD GLN A 32 17.010 2.882 -0.566 1.00 1.09 C ATOM 474 OE1 GLN A 32 18.066 2.960 -1.199 1.00 1.51 O ATOM 475 NE2 GLN A 32 16.867 2.081 0.477 1.00 1.25 N ATOM 0 H GLN A 32 14.390 5.255 0.699 1.00 0.49 H new ATOM 0 HA GLN A 32 16.166 7.110 -0.758 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.992 5.133 -2.538 1.00 0.69 H new ATOM 0 HB3 GLN A 32 17.279 5.222 -1.352 1.00 0.69 H new ATOM 0 HG2 GLN A 32 15.169 3.847 -0.065 1.00 0.80 H new ATOM 0 HG3 GLN A 32 15.222 3.202 -1.694 1.00 0.80 H new ATOM 0 HE21 GLN A 32 15.977 2.045 0.974 1.00 1.25 H new ATOM 0 HE22 GLN A 32 17.647 1.499 0.784 1.00 1.25 H new ATOM 484 N TYR A 33 13.725 7.843 -1.255 1.00 0.47 N ATOM 485 CA TYR A 33 12.539 8.362 -1.931 1.00 0.47 C ATOM 486 C TYR A 33 12.887 8.848 -3.336 1.00 0.46 C ATOM 487 O TYR A 33 12.067 9.461 -4.018 1.00 0.50 O ATOM 488 CB TYR A 33 11.897 9.496 -1.114 1.00 0.57 C ATOM 489 CG TYR A 33 12.841 10.616 -0.727 1.00 0.70 C ATOM 490 CD1 TYR A 33 13.102 11.669 -1.597 1.00 1.41 C ATOM 491 CD2 TYR A 33 13.459 10.630 0.518 1.00 1.35 C ATOM 492 CE1 TYR A 33 13.948 12.700 -1.239 1.00 1.59 C ATOM 493 CE2 TYR A 33 14.310 11.657 0.883 1.00 1.55 C ATOM 494 CZ TYR A 33 14.552 12.689 0.002 1.00 1.27 C ATOM 495 OH TYR A 33 15.388 13.724 0.363 1.00 1.61 O ATOM 0 H TYR A 33 14.107 8.464 -0.542 1.00 0.47 H new ATOM 0 HA TYR A 33 11.817 7.550 -2.017 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.073 9.917 -1.690 1.00 0.57 H new ATOM 0 HB3 TYR A 33 11.468 9.072 -0.206 1.00 0.57 H new ATOM 0 HD1 TYR A 33 12.634 11.681 -2.570 1.00 1.41 H new ATOM 0 HD2 TYR A 33 13.271 9.825 1.213 1.00 1.35 H new ATOM 0 HE1 TYR A 33 14.136 13.511 -1.927 1.00 1.59 H new ATOM 0 HE2 TYR A 33 14.783 11.650 1.854 1.00 1.55 H new ATOM 0 HH TYR A 33 15.732 13.567 1.267 1.00 1.61 H new ATOM 505 N ARG A 34 14.107 8.552 -3.763 1.00 0.47 N ATOM 506 CA ARG A 34 14.587 8.947 -5.077 1.00 0.53 C ATOM 507 C ARG A 34 13.893 8.137 -6.164 1.00 0.48 C ATOM 508 O ARG A 34 13.778 8.578 -7.304 1.00 0.56 O ATOM 509 CB ARG A 34 16.098 8.740 -5.167 1.00 0.64 C ATOM 510 CG ARG A 34 16.886 9.528 -4.131 1.00 1.12 C ATOM 511 CD ARG A 34 18.377 9.478 -4.422 1.00 1.55 C ATOM 512 NE ARG A 34 18.677 9.874 -5.798 1.00 2.28 N ATOM 513 CZ ARG A 34 19.262 9.080 -6.696 1.00 2.92 C ATOM 514 NH1 ARG A 34 19.636 7.848 -6.365 1.00 2.94 N ATOM 515 NH2 ARG A 34 19.470 9.525 -7.931 1.00 3.97 N ATOM 0 H ARG A 34 14.789 8.033 -3.209 1.00 0.47 H new ATOM 0 HA ARG A 34 14.359 10.003 -5.225 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.318 7.679 -5.048 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.436 9.026 -6.163 1.00 0.64 H new ATOM 0 HG2 ARG A 34 16.548 10.564 -4.124 1.00 1.12 H new ATOM 0 HG3 ARG A 34 16.693 9.123 -3.138 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.904 10.136 -3.731 1.00 1.55 H new ATOM 0 HD3 ARG A 34 18.748 8.468 -4.246 1.00 1.55 H new ATOM 0 HE ARG A 34 18.422 10.818 -6.089 1.00 2.28 H new ATOM 0 HH11 ARG A 34 19.476 7.504 -5.418 1.00 2.94 H new ATOM 0 HH12 ARG A 34 20.083 7.247 -7.058 1.00 2.94 H new ATOM 0 HH21 ARG A 34 19.183 10.469 -8.188 1.00 3.97 H new ATOM 0 HH22 ARG A 34 19.917 8.922 -8.622 1.00 3.97 H new ATOM 529 N ASP A 35 13.428 6.953 -5.801 1.00 0.46 N ATOM 530 CA ASP A 35 12.752 6.083 -6.750 1.00 0.50 C ATOM 531 C ASP A 35 11.311 5.848 -6.329 1.00 0.41 C ATOM 532 O ASP A 35 10.749 4.777 -6.560 1.00 0.38 O ATOM 533 CB ASP A 35 13.486 4.748 -6.876 1.00 0.68 C ATOM 534 CG ASP A 35 14.464 4.723 -8.035 1.00 1.04 C ATOM 535 OD1 ASP A 35 14.018 4.659 -9.198 1.00 1.70 O ATOM 536 OD2 ASP A 35 15.687 4.755 -7.787 1.00 1.58 O ATOM 0 H ASP A 35 13.506 6.572 -4.858 1.00 0.46 H new ATOM 0 HA ASP A 35 12.756 6.576 -7.722 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.022 4.544 -5.949 1.00 0.68 H new ATOM 0 HB3 ASP A 35 12.757 3.948 -7.004 1.00 0.68 H new ATOM 541 N ALA A 36 10.721 6.867 -5.716 1.00 0.40 N ATOM 542 CA ALA A 36 9.338 6.799 -5.251 1.00 0.37 C ATOM 543 C ALA A 36 8.364 6.406 -6.374 1.00 0.32 C ATOM 544 O ALA A 36 7.580 5.475 -6.203 1.00 0.33 O ATOM 545 CB ALA A 36 8.925 8.115 -4.603 1.00 0.43 C ATOM 0 H ALA A 36 11.182 7.757 -5.528 1.00 0.40 H new ATOM 0 HA ALA A 36 9.287 6.011 -4.500 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.892 8.045 -4.263 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.574 8.321 -3.752 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.014 8.922 -5.330 1.00 0.43 H new ATOM 551 N PRO A 37 8.385 7.089 -7.545 1.00 0.35 N ATOM 552 CA PRO A 37 7.485 6.746 -8.651 1.00 0.37 C ATOM 553 C PRO A 37 7.787 5.365 -9.234 1.00 0.35 C ATOM 554 O PRO A 37 6.888 4.681 -9.722 1.00 0.42 O ATOM 555 CB PRO A 37 7.751 7.835 -9.697 1.00 0.46 C ATOM 556 CG PRO A 37 9.108 8.354 -9.375 1.00 0.50 C ATOM 557 CD PRO A 37 9.244 8.244 -7.882 1.00 0.42 C ATOM 0 HA PRO A 37 6.446 6.703 -8.325 1.00 0.37 H new ATOM 0 HB2 PRO A 37 7.713 7.429 -10.708 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.003 8.626 -9.643 1.00 0.46 H new ATOM 0 HG2 PRO A 37 9.879 7.774 -9.882 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.220 9.388 -9.703 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.279 8.076 -7.584 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.911 9.152 -7.380 1.00 0.42 H new ATOM 565 N LYS A 38 9.050 4.952 -9.157 1.00 0.34 N ATOM 566 CA LYS A 38 9.467 3.662 -9.691 1.00 0.36 C ATOM 567 C LYS A 38 8.918 2.521 -8.844 1.00 0.34 C ATOM 568 O LYS A 38 8.387 1.544 -9.373 1.00 0.39 O ATOM 569 CB LYS A 38 10.995 3.582 -9.763 1.00 0.41 C ATOM 570 CG LYS A 38 11.515 2.424 -10.605 1.00 0.60 C ATOM 571 CD LYS A 38 10.920 2.443 -12.004 1.00 1.32 C ATOM 572 CE LYS A 38 11.816 1.732 -13.006 1.00 2.00 C ATOM 573 NZ LYS A 38 13.016 2.543 -13.344 1.00 2.78 N ATOM 0 H LYS A 38 9.801 5.494 -8.729 1.00 0.34 H new ATOM 0 HA LYS A 38 9.063 3.565 -10.699 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.379 4.517 -10.172 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.392 3.490 -8.752 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.602 2.479 -10.670 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.272 1.480 -10.117 1.00 0.60 H new ATOM 0 HD2 LYS A 38 9.940 1.966 -11.989 1.00 1.32 H new ATOM 0 HD3 LYS A 38 10.767 3.475 -12.320 1.00 1.32 H new ATOM 0 HE2 LYS A 38 12.129 0.772 -12.596 1.00 2.00 H new ATOM 0 HE3 LYS A 38 11.251 1.522 -13.914 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 13.465 2.159 -14.200 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 12.732 3.529 -13.515 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 13.691 2.510 -12.554 1.00 2.78 H new ATOM 587 N VAL A 39 9.036 2.643 -7.528 1.00 0.31 N ATOM 588 CA VAL A 39 8.532 1.612 -6.636 1.00 0.31 C ATOM 589 C VAL A 39 7.005 1.640 -6.595 1.00 0.29 C ATOM 590 O VAL A 39 6.365 0.623 -6.340 1.00 0.31 O ATOM 591 CB VAL A 39 9.107 1.740 -5.207 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.618 1.559 -5.228 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.736 3.075 -4.574 1.00 0.33 C ATOM 0 H VAL A 39 9.472 3.438 -7.060 1.00 0.31 H new ATOM 0 HA VAL A 39 8.864 0.654 -7.035 1.00 0.31 H new ATOM 0 HB VAL A 39 8.666 0.952 -4.596 1.00 0.34 H new ATOM 0 HG11 VAL A 39 11.010 1.652 -4.215 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.861 0.572 -5.622 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.067 2.323 -5.862 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.157 3.131 -3.570 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.135 3.888 -5.180 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.651 3.162 -4.518 1.00 0.33 H new ATOM 603 N ALA A 40 6.433 2.807 -6.876 1.00 0.27 N ATOM 604 CA ALA A 40 4.987 2.972 -6.888 1.00 0.28 C ATOM 605 C ALA A 40 4.370 2.224 -8.065 1.00 0.28 C ATOM 606 O ALA A 40 3.422 1.453 -7.897 1.00 0.29 O ATOM 607 CB ALA A 40 4.620 4.447 -6.949 1.00 0.32 C ATOM 0 H ALA A 40 6.954 3.655 -7.099 1.00 0.27 H new ATOM 0 HA ALA A 40 4.588 2.552 -5.965 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.535 4.552 -6.957 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.028 4.960 -6.078 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.034 4.888 -7.856 1.00 0.32 H new ATOM 613 N GLU A 41 4.913 2.444 -9.261 1.00 0.31 N ATOM 614 CA GLU A 41 4.410 1.771 -10.452 1.00 0.36 C ATOM 615 C GLU A 41 4.684 0.273 -10.366 1.00 0.35 C ATOM 616 O GLU A 41 3.873 -0.540 -10.808 1.00 0.38 O ATOM 617 CB GLU A 41 5.026 2.354 -11.729 1.00 0.44 C ATOM 618 CG GLU A 41 6.541 2.242 -11.798 1.00 0.52 C ATOM 619 CD GLU A 41 7.066 2.260 -13.218 1.00 0.74 C ATOM 620 OE1 GLU A 41 7.220 3.360 -13.785 1.00 1.40 O ATOM 621 OE2 GLU A 41 7.321 1.171 -13.774 1.00 1.37 O ATOM 0 H GLU A 41 5.694 3.078 -9.428 1.00 0.31 H new ATOM 0 HA GLU A 41 3.333 1.934 -10.499 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.596 1.845 -12.592 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.747 3.405 -11.807 1.00 0.44 H new ATOM 0 HG2 GLU A 41 6.987 3.065 -11.240 1.00 0.52 H new ATOM 0 HG3 GLU A 41 6.855 1.319 -11.311 1.00 0.52 H new ATOM 628 N MET A 42 5.823 -0.086 -9.774 1.00 0.35 N ATOM 629 CA MET A 42 6.192 -1.488 -9.619 1.00 0.40 C ATOM 630 C MET A 42 5.224 -2.175 -8.663 1.00 0.35 C ATOM 631 O MET A 42 4.810 -3.314 -8.888 1.00 0.35 O ATOM 632 CB MET A 42 7.626 -1.615 -9.101 1.00 0.51 C ATOM 633 CG MET A 42 8.106 -3.054 -8.974 1.00 1.09 C ATOM 634 SD MET A 42 9.846 -3.177 -8.514 1.00 0.98 S ATOM 635 CE MET A 42 10.637 -2.601 -10.015 1.00 1.51 C ATOM 0 H MET A 42 6.502 0.574 -9.396 1.00 0.35 H new ATOM 0 HA MET A 42 6.136 -1.973 -10.594 1.00 0.40 H new ATOM 0 HB2 MET A 42 8.294 -1.076 -9.773 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.695 -1.131 -8.127 1.00 0.51 H new ATOM 0 HG2 MET A 42 7.501 -3.569 -8.228 1.00 1.09 H new ATOM 0 HG3 MET A 42 7.949 -3.569 -9.922 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.687 -2.895 -10.009 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.141 -3.042 -10.880 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.565 -1.515 -10.070 1.00 1.51 H new ATOM 645 N TRP A 43 4.871 -1.464 -7.597 1.00 0.32 N ATOM 646 CA TRP A 43 3.930 -1.961 -6.605 1.00 0.30 C ATOM 647 C TRP A 43 2.590 -2.241 -7.271 1.00 0.27 C ATOM 648 O TRP A 43 2.012 -3.317 -7.117 1.00 0.28 O ATOM 649 CB TRP A 43 3.765 -0.925 -5.484 1.00 0.30 C ATOM 650 CG TRP A 43 2.758 -1.297 -4.436 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.902 -2.234 -3.453 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.455 -0.721 -4.255 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.771 -2.279 -2.677 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.870 -1.359 -3.149 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.731 0.272 -4.922 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.408 -1.039 -2.694 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.536 0.590 -4.471 1.00 0.39 C ATOM 658 CH2 TRP A 43 -1.093 -0.062 -3.365 1.00 0.41 C ATOM 0 H TRP A 43 5.229 -0.530 -7.399 1.00 0.32 H new ATOM 0 HA TRP A 43 4.309 -2.887 -6.172 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.731 -0.772 -5.003 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.475 0.028 -5.927 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.778 -2.849 -3.308 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.624 -2.897 -1.879 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.155 0.782 -5.775 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.842 -1.543 -1.843 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -1.105 1.354 -4.980 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -2.084 0.211 -3.034 1.00 0.41 H new ATOM 669 N LYS A 44 2.124 -1.259 -8.033 1.00 0.27 N ATOM 670 CA LYS A 44 0.864 -1.362 -8.756 1.00 0.28 C ATOM 671 C LYS A 44 0.872 -2.568 -9.692 1.00 0.30 C ATOM 672 O LYS A 44 -0.077 -3.349 -9.726 1.00 0.31 O ATOM 673 CB LYS A 44 0.634 -0.077 -9.558 1.00 0.32 C ATOM 674 CG LYS A 44 -0.532 -0.155 -10.534 1.00 0.46 C ATOM 675 CD LYS A 44 -0.385 0.861 -11.656 1.00 0.66 C ATOM 676 CE LYS A 44 0.681 0.437 -12.659 1.00 1.03 C ATOM 677 NZ LYS A 44 0.102 -0.311 -13.807 1.00 1.11 N ATOM 0 H LYS A 44 2.608 -0.371 -8.167 1.00 0.27 H new ATOM 0 HA LYS A 44 0.055 -1.496 -8.037 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.459 0.745 -8.864 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.542 0.161 -10.112 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -0.589 -1.159 -10.955 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.467 0.021 -10.002 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.340 0.980 -12.168 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.125 1.833 -11.236 1.00 0.66 H new ATOM 0 HE2 LYS A 44 1.203 1.320 -13.028 1.00 1.03 H new ATOM 0 HE3 LYS A 44 1.423 -0.185 -12.158 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 0.557 -1.243 -13.879 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -0.920 -0.435 -13.660 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 0.264 0.222 -14.685 1.00 1.11 H new ATOM 691 N GLU A 45 1.960 -2.713 -10.438 1.00 0.35 N ATOM 692 CA GLU A 45 2.108 -3.812 -11.379 1.00 0.41 C ATOM 693 C GLU A 45 2.110 -5.162 -10.664 1.00 0.40 C ATOM 694 O GLU A 45 1.451 -6.101 -11.103 1.00 0.46 O ATOM 695 CB GLU A 45 3.397 -3.637 -12.179 1.00 0.51 C ATOM 696 CG GLU A 45 3.272 -2.620 -13.301 1.00 0.73 C ATOM 697 CD GLU A 45 2.372 -3.104 -14.417 1.00 1.21 C ATOM 698 OE1 GLU A 45 2.789 -4.010 -15.163 1.00 1.96 O ATOM 699 OE2 GLU A 45 1.242 -2.591 -14.546 1.00 1.76 O ATOM 0 H GLU A 45 2.757 -2.077 -10.408 1.00 0.35 H new ATOM 0 HA GLU A 45 1.255 -3.797 -12.057 1.00 0.41 H new ATOM 0 HB2 GLU A 45 4.196 -3.328 -11.505 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.689 -4.599 -12.600 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.879 -1.686 -12.900 1.00 0.73 H new ATOM 0 HG3 GLU A 45 4.261 -2.403 -13.703 1.00 0.73 H new ATOM 706 N TYR A 46 2.837 -5.246 -9.554 1.00 0.39 N ATOM 707 CA TYR A 46 2.929 -6.482 -8.785 1.00 0.42 C ATOM 708 C TYR A 46 1.575 -6.869 -8.197 1.00 0.40 C ATOM 709 O TYR A 46 1.154 -8.018 -8.288 1.00 0.45 O ATOM 710 CB TYR A 46 3.963 -6.321 -7.663 1.00 0.45 C ATOM 711 CG TYR A 46 4.220 -7.578 -6.854 1.00 0.59 C ATOM 712 CD1 TYR A 46 5.019 -8.601 -7.352 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.676 -7.733 -5.583 1.00 1.06 C ATOM 714 CE1 TYR A 46 5.268 -9.740 -6.608 1.00 1.58 C ATOM 715 CE2 TYR A 46 3.917 -8.873 -4.835 1.00 1.12 C ATOM 716 CZ TYR A 46 4.715 -9.871 -5.352 1.00 1.03 C ATOM 717 OH TYR A 46 4.969 -11.005 -4.607 1.00 1.27 O ATOM 0 H TYR A 46 3.373 -4.470 -9.166 1.00 0.39 H new ATOM 0 HA TYR A 46 3.244 -7.280 -9.458 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.904 -5.987 -8.100 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.628 -5.533 -6.988 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.453 -8.505 -8.336 1.00 1.39 H new ATOM 0 HD2 TYR A 46 3.055 -6.951 -5.173 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.893 -10.524 -7.009 1.00 1.58 H new ATOM 0 HE2 TYR A 46 3.482 -8.980 -3.852 1.00 1.12 H new ATOM 0 HH TYR A 46 5.936 -11.102 -4.479 1.00 1.27 H new ATOM 727 N MET A 47 0.885 -5.891 -7.626 1.00 0.36 N ATOM 728 CA MET A 47 -0.411 -6.125 -6.997 1.00 0.39 C ATOM 729 C MET A 47 -1.485 -6.501 -8.018 1.00 0.37 C ATOM 730 O MET A 47 -2.486 -7.128 -7.673 1.00 0.43 O ATOM 731 CB MET A 47 -0.847 -4.882 -6.220 1.00 0.42 C ATOM 732 CG MET A 47 0.037 -4.572 -5.024 1.00 0.57 C ATOM 733 SD MET A 47 -0.445 -5.482 -3.545 1.00 0.70 S ATOM 734 CE MET A 47 -1.927 -4.593 -3.074 1.00 0.37 C ATOM 0 H MET A 47 1.202 -4.922 -7.585 1.00 0.36 H new ATOM 0 HA MET A 47 -0.296 -6.966 -6.314 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.847 -4.025 -6.893 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.873 -5.019 -5.877 1.00 0.42 H new ATOM 0 HG2 MET A 47 1.071 -4.811 -5.271 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.002 -3.503 -4.816 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.649 -5.289 -2.647 1.00 0.37 H new ATOM 0 HE2 MET A 47 -1.676 -3.833 -2.335 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.359 -4.115 -3.953 1.00 0.37 H new ATOM 744 N LEU A 48 -1.278 -6.132 -9.275 1.00 0.37 N ATOM 745 CA LEU A 48 -2.252 -6.429 -10.318 1.00 0.41 C ATOM 746 C LEU A 48 -1.797 -7.595 -11.197 1.00 0.46 C ATOM 747 O LEU A 48 -2.100 -7.644 -12.391 1.00 0.59 O ATOM 748 CB LEU A 48 -2.510 -5.185 -11.172 1.00 0.45 C ATOM 749 CG LEU A 48 -3.119 -3.994 -10.423 1.00 0.57 C ATOM 750 CD1 LEU A 48 -3.359 -2.833 -11.374 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.416 -4.394 -9.732 1.00 0.88 C ATOM 0 H LEU A 48 -0.450 -5.630 -9.596 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.181 -6.725 -9.832 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.568 -4.869 -11.619 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -3.176 -5.458 -11.991 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.410 -3.675 -9.659 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.792 -1.997 -10.825 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -2.413 -2.525 -11.818 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -4.045 -3.144 -12.162 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.829 -3.533 -9.207 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -5.132 -4.744 -10.476 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.216 -5.193 -9.017 1.00 0.88 H new ATOM 763 N ARG A 49 -1.076 -8.534 -10.602 1.00 0.46 N ATOM 764 CA ARG A 49 -0.598 -9.702 -11.332 1.00 0.53 C ATOM 765 C ARG A 49 -1.266 -10.972 -10.809 1.00 0.54 C ATOM 766 O ARG A 49 -1.522 -11.095 -9.610 1.00 0.49 O ATOM 767 CB ARG A 49 0.922 -9.820 -11.226 1.00 0.60 C ATOM 768 CG ARG A 49 1.664 -8.969 -12.242 1.00 0.74 C ATOM 769 CD ARG A 49 3.149 -8.894 -11.928 1.00 1.01 C ATOM 770 NE ARG A 49 3.844 -10.140 -12.240 1.00 1.38 N ATOM 771 CZ ARG A 49 5.056 -10.449 -11.783 1.00 1.90 C ATOM 772 NH1 ARG A 49 5.698 -9.607 -10.983 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.624 -11.596 -12.131 1.00 2.69 N ATOM 0 H ARG A 49 -0.809 -8.511 -9.618 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.862 -9.578 -12.382 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.233 -9.529 -10.223 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.208 -10.863 -11.358 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.523 -9.385 -13.239 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.242 -7.964 -12.253 1.00 0.74 H new ATOM 0 HD2 ARG A 49 3.597 -8.078 -12.495 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.284 -8.660 -10.872 1.00 1.01 H new ATOM 0 HE ARG A 49 3.373 -10.814 -12.844 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.263 -8.723 -10.718 1.00 2.19 H new ATOM 0 HH12 ARG A 49 6.626 -9.844 -10.633 1.00 2.19 H new ATOM 0 HH21 ARG A 49 5.132 -12.242 -12.749 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.552 -11.832 -11.781 1.00 2.69 H new ATOM 787 N PRO A 50 -1.557 -11.932 -11.707 1.00 0.65 N ATOM 788 CA PRO A 50 -2.205 -13.198 -11.338 1.00 0.71 C ATOM 789 C PRO A 50 -1.277 -14.127 -10.555 1.00 0.73 C ATOM 790 O PRO A 50 -1.726 -15.076 -9.909 1.00 0.78 O ATOM 791 CB PRO A 50 -2.565 -13.821 -12.690 1.00 0.89 C ATOM 792 CG PRO A 50 -1.579 -13.246 -13.647 1.00 0.94 C ATOM 793 CD PRO A 50 -1.287 -11.853 -13.158 1.00 0.77 C ATOM 0 HA PRO A 50 -3.061 -13.037 -10.683 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -2.496 -14.908 -12.656 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -3.587 -13.576 -12.979 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -0.670 -13.847 -13.678 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -1.983 -13.227 -14.659 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.255 -11.565 -13.359 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -1.924 -11.115 -13.645 1.00 0.77 H new ATOM 801 N SER A 51 0.014 -13.840 -10.611 1.00 0.75 N ATOM 802 CA SER A 51 1.017 -14.637 -9.919 1.00 0.84 C ATOM 803 C SER A 51 1.124 -14.237 -8.447 1.00 0.76 C ATOM 804 O SER A 51 1.978 -14.738 -7.711 1.00 0.90 O ATOM 805 CB SER A 51 2.365 -14.458 -10.616 1.00 0.96 C ATOM 806 OG SER A 51 2.223 -13.638 -11.770 1.00 1.33 O ATOM 0 H SER A 51 0.396 -13.052 -11.134 1.00 0.75 H new ATOM 0 HA SER A 51 0.719 -15.685 -9.954 1.00 0.84 H new ATOM 0 HB2 SER A 51 3.080 -14.007 -9.928 1.00 0.96 H new ATOM 0 HB3 SER A 51 2.766 -15.431 -10.901 1.00 0.96 H new ATOM 0 HG SER A 51 3.095 -13.531 -12.205 1.00 1.33 H new ATOM 812 N VAL A 52 0.253 -13.335 -8.019 1.00 0.59 N ATOM 813 CA VAL A 52 0.256 -12.868 -6.645 1.00 0.56 C ATOM 814 C VAL A 52 -1.034 -13.270 -5.933 1.00 0.50 C ATOM 815 O VAL A 52 -2.132 -12.913 -6.363 1.00 0.51 O ATOM 816 CB VAL A 52 0.430 -11.337 -6.581 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.545 -10.860 -5.142 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.648 -10.910 -7.384 1.00 0.57 C ATOM 0 H VAL A 52 -0.466 -12.912 -8.607 1.00 0.59 H new ATOM 0 HA VAL A 52 1.100 -13.337 -6.140 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.456 -10.876 -7.018 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.667 -9.777 -5.126 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.358 -11.132 -4.595 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.409 -11.329 -4.671 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.758 -9.827 -7.330 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.539 -11.386 -6.975 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.522 -11.210 -8.424 1.00 0.57 H new ATOM 828 N ASN A 53 -0.887 -14.027 -4.854 1.00 0.51 N ATOM 829 CA ASN A 53 -2.025 -14.491 -4.067 1.00 0.52 C ATOM 830 C ASN A 53 -2.605 -13.347 -3.232 1.00 0.48 C ATOM 831 O ASN A 53 -1.904 -12.385 -2.911 1.00 0.47 O ATOM 832 CB ASN A 53 -1.593 -15.657 -3.164 1.00 0.61 C ATOM 833 CG ASN A 53 -2.699 -16.156 -2.247 1.00 1.09 C ATOM 834 OD1 ASN A 53 -2.838 -15.697 -1.113 1.00 1.80 O ATOM 835 ND2 ASN A 53 -3.485 -17.105 -2.725 1.00 1.64 N ATOM 0 H ASN A 53 0.018 -14.336 -4.500 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.803 -14.841 -4.745 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.250 -16.482 -3.788 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.744 -15.341 -2.558 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -4.238 -17.482 -2.149 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -3.339 -17.460 -3.670 1.00 1.64 H new ATOM 842 N THR A 54 -3.883 -13.462 -2.887 1.00 0.48 N ATOM 843 CA THR A 54 -4.585 -12.453 -2.102 1.00 0.49 C ATOM 844 C THR A 54 -3.855 -12.124 -0.796 1.00 0.47 C ATOM 845 O THR A 54 -3.824 -10.967 -0.374 1.00 0.47 O ATOM 846 CB THR A 54 -6.010 -12.937 -1.790 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.400 -13.916 -2.764 1.00 0.75 O ATOM 848 CG2 THR A 54 -6.998 -11.780 -1.800 1.00 0.81 C ATOM 0 H THR A 54 -4.463 -14.260 -3.145 1.00 0.48 H new ATOM 0 HA THR A 54 -4.620 -11.541 -2.698 1.00 0.49 H new ATOM 0 HB THR A 54 -6.017 -13.378 -0.793 1.00 0.57 H new ATOM 0 HG1 THR A 54 -6.172 -14.811 -2.437 1.00 0.75 H new ATOM 0 HG21 THR A 54 -7.997 -12.153 -1.576 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.707 -11.047 -1.048 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.998 -11.310 -2.783 1.00 0.81 H new ATOM 856 N ARG A 55 -3.256 -13.137 -0.171 1.00 0.50 N ATOM 857 CA ARG A 55 -2.529 -12.944 1.081 1.00 0.54 C ATOM 858 C ARG A 55 -1.338 -12.015 0.868 1.00 0.49 C ATOM 859 O ARG A 55 -0.994 -11.217 1.739 1.00 0.50 O ATOM 860 CB ARG A 55 -2.042 -14.287 1.631 1.00 0.65 C ATOM 861 CG ARG A 55 -2.642 -14.663 2.977 1.00 0.94 C ATOM 862 CD ARG A 55 -2.086 -13.814 4.112 1.00 1.52 C ATOM 863 NE ARG A 55 -0.634 -13.952 4.249 1.00 2.10 N ATOM 864 CZ ARG A 55 0.016 -13.876 5.411 1.00 2.74 C ATOM 865 NH1 ARG A 55 -0.647 -13.713 6.552 1.00 3.00 N ATOM 866 NH2 ARG A 55 1.335 -13.983 5.437 1.00 3.58 N ATOM 0 H ARG A 55 -3.260 -14.098 -0.512 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.209 -12.491 1.802 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -2.277 -15.069 0.909 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -0.957 -14.256 1.725 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -3.725 -14.547 2.935 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -2.442 -15.715 3.181 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.334 -12.767 3.935 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -2.566 -14.102 5.047 1.00 1.52 H new ATOM 0 HE ARG A 55 -0.087 -14.116 3.404 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -1.665 -13.645 6.545 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -0.138 -13.656 7.434 1.00 3.00 H new ATOM 0 HH21 ARG A 55 1.852 -14.123 4.569 1.00 3.58 H new ATOM 0 HH22 ARG A 55 1.834 -13.925 6.325 1.00 3.58 H new ATOM 880 N ARG A 56 -0.722 -12.115 -0.304 1.00 0.49 N ATOM 881 CA ARG A 56 0.428 -11.287 -0.642 1.00 0.48 C ATOM 882 C ARG A 56 -0.009 -9.860 -0.933 1.00 0.43 C ATOM 883 O ARG A 56 0.683 -8.906 -0.582 1.00 0.46 O ATOM 884 CB ARG A 56 1.167 -11.865 -1.846 1.00 0.53 C ATOM 885 CG ARG A 56 1.951 -13.118 -1.517 1.00 0.67 C ATOM 886 CD ARG A 56 3.404 -12.794 -1.208 1.00 0.84 C ATOM 887 NE ARG A 56 4.249 -12.926 -2.391 1.00 1.55 N ATOM 888 CZ ARG A 56 4.733 -14.084 -2.832 1.00 2.18 C ATOM 889 NH1 ARG A 56 4.455 -15.214 -2.186 1.00 2.58 N ATOM 890 NH2 ARG A 56 5.488 -14.118 -3.921 1.00 3.05 N ATOM 0 H ARG A 56 -1.002 -12.765 -1.039 1.00 0.49 H new ATOM 0 HA ARG A 56 1.105 -11.277 0.212 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.447 -12.090 -2.633 1.00 0.53 H new ATOM 0 HB3 ARG A 56 1.847 -11.112 -2.243 1.00 0.53 H new ATOM 0 HG2 ARG A 56 1.498 -13.619 -0.662 1.00 0.67 H new ATOM 0 HG3 ARG A 56 1.901 -13.812 -2.356 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.476 -11.778 -0.821 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.767 -13.460 -0.425 1.00 0.84 H new ATOM 0 HE ARG A 56 4.482 -12.080 -2.911 1.00 1.55 H new ATOM 0 HH11 ARG A 56 3.870 -15.193 -1.351 1.00 2.58 H new ATOM 0 HH12 ARG A 56 4.827 -16.101 -2.526 1.00 2.58 H new ATOM 0 HH21 ARG A 56 5.699 -13.255 -4.423 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.858 -15.007 -4.257 1.00 3.05 H new ATOM 904 N LYS A 57 -1.164 -9.723 -1.574 1.00 0.38 N ATOM 905 CA LYS A 57 -1.704 -8.410 -1.898 1.00 0.36 C ATOM 906 C LYS A 57 -2.062 -7.670 -0.616 1.00 0.35 C ATOM 907 O LYS A 57 -1.956 -6.446 -0.537 1.00 0.36 O ATOM 908 CB LYS A 57 -2.925 -8.546 -2.811 1.00 0.37 C ATOM 909 CG LYS A 57 -2.624 -9.282 -4.107 1.00 0.39 C ATOM 910 CD LYS A 57 -3.730 -9.101 -5.130 1.00 0.59 C ATOM 911 CE LYS A 57 -3.426 -9.862 -6.410 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.278 -9.416 -7.542 1.00 0.46 N ATOM 0 H LYS A 57 -1.743 -10.505 -1.879 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.948 -7.834 -2.432 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.714 -9.074 -2.276 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.308 -7.553 -3.045 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.683 -8.919 -4.521 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.492 -10.344 -3.899 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.675 -9.449 -4.713 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.851 -8.041 -5.354 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.377 -9.726 -6.671 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -3.577 -10.928 -6.242 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -3.766 -9.554 -8.437 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.156 -9.973 -7.556 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -4.509 -8.408 -7.427 1.00 0.46 H new ATOM 926 N LEU A 58 -2.472 -8.428 0.392 1.00 0.36 N ATOM 927 CA LEU A 58 -2.809 -7.859 1.685 1.00 0.37 C ATOM 928 C LEU A 58 -1.545 -7.292 2.325 1.00 0.37 C ATOM 929 O LEU A 58 -1.558 -6.208 2.908 1.00 0.38 O ATOM 930 CB LEU A 58 -3.432 -8.929 2.585 1.00 0.42 C ATOM 931 CG LEU A 58 -3.954 -8.431 3.931 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.193 -7.569 3.743 1.00 1.26 C ATOM 933 CD2 LEU A 58 -4.248 -9.605 4.853 1.00 1.15 C ATOM 0 H LEU A 58 -2.579 -9.441 0.336 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.537 -7.058 1.555 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.255 -9.398 2.046 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.688 -9.704 2.768 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.182 -7.816 4.393 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.548 -7.225 4.715 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.947 -6.708 3.121 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.974 -8.155 3.258 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.619 -9.233 5.808 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -5.001 -10.247 4.396 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.335 -10.177 5.016 1.00 1.15 H new ATOM 945 N LEU A 59 -0.449 -8.030 2.179 1.00 0.38 N ATOM 946 CA LEU A 59 0.842 -7.620 2.719 1.00 0.40 C ATOM 947 C LEU A 59 1.365 -6.405 1.965 1.00 0.37 C ATOM 948 O LEU A 59 1.931 -5.486 2.559 1.00 0.38 O ATOM 949 CB LEU A 59 1.850 -8.771 2.620 1.00 0.45 C ATOM 950 CG LEU A 59 1.995 -9.633 3.878 1.00 0.63 C ATOM 951 CD1 LEU A 59 0.641 -10.124 4.370 1.00 1.54 C ATOM 952 CD2 LEU A 59 2.911 -10.813 3.604 1.00 1.21 C ATOM 0 H LEU A 59 -0.430 -8.923 1.686 1.00 0.38 H new ATOM 0 HA LEU A 59 0.712 -7.356 3.768 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.558 -9.416 1.791 1.00 0.45 H new ATOM 0 HB3 LEU A 59 2.826 -8.355 2.372 1.00 0.45 H new ATOM 0 HG LEU A 59 2.434 -9.014 4.660 1.00 0.63 H new ATOM 0 HD11 LEU A 59 0.778 -10.733 5.264 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.008 -9.269 4.607 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.166 -10.723 3.592 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.005 -11.417 4.506 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.491 -11.421 2.802 1.00 1.21 H new ATOM 0 HD23 LEU A 59 3.894 -10.449 3.307 1.00 1.21 H new ATOM 964 N GLY A 60 1.169 -6.408 0.650 1.00 0.37 N ATOM 965 CA GLY A 60 1.604 -5.296 -0.176 1.00 0.37 C ATOM 966 C GLY A 60 0.897 -4.013 0.201 1.00 0.35 C ATOM 967 O GLY A 60 1.481 -2.929 0.145 1.00 0.36 O ATOM 0 H GLY A 60 0.714 -7.165 0.140 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.681 -5.163 -0.071 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.412 -5.524 -1.224 1.00 0.37 H new ATOM 971 N LEU A 61 -0.364 -4.143 0.591 1.00 0.35 N ATOM 972 CA LEU A 61 -1.160 -2.998 1.003 1.00 0.36 C ATOM 973 C LEU A 61 -0.589 -2.425 2.294 1.00 0.35 C ATOM 974 O LEU A 61 -0.508 -1.208 2.471 1.00 0.36 O ATOM 975 CB LEU A 61 -2.616 -3.423 1.214 1.00 0.40 C ATOM 976 CG LEU A 61 -3.676 -2.351 0.926 1.00 0.52 C ATOM 977 CD1 LEU A 61 -5.058 -2.978 0.893 1.00 1.23 C ATOM 978 CD2 LEU A 61 -3.632 -1.243 1.967 1.00 1.10 C ATOM 0 H LEU A 61 -0.858 -5.035 0.630 1.00 0.35 H new ATOM 0 HA LEU A 61 -1.128 -2.235 0.225 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.818 -4.286 0.579 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.732 -3.753 2.246 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.457 -1.912 -0.048 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -5.802 -2.208 0.688 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -5.095 -3.736 0.111 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -5.271 -3.441 1.857 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -4.394 -0.498 1.738 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -3.822 -1.664 2.954 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -2.649 -0.772 1.956 1.00 1.10 H new ATOM 990 N TYR A 62 -0.178 -3.319 3.186 1.00 0.36 N ATOM 991 CA TYR A 62 0.395 -2.928 4.466 1.00 0.37 C ATOM 992 C TYR A 62 1.666 -2.113 4.264 1.00 0.34 C ATOM 993 O TYR A 62 1.899 -1.133 4.971 1.00 0.35 O ATOM 994 CB TYR A 62 0.699 -4.161 5.319 1.00 0.44 C ATOM 995 CG TYR A 62 -0.525 -4.938 5.753 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.762 -4.318 5.884 1.00 1.30 C ATOM 997 CD2 TYR A 62 -0.436 -6.292 6.044 1.00 1.23 C ATOM 998 CE1 TYR A 62 -2.873 -5.027 6.292 1.00 1.38 C ATOM 999 CE2 TYR A 62 -1.542 -7.007 6.454 1.00 1.35 C ATOM 1000 CZ TYR A 62 -2.757 -6.371 6.576 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.861 -7.079 6.989 1.00 1.10 O ATOM 0 H TYR A 62 -0.232 -4.327 3.043 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.337 -2.310 4.986 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.355 -4.825 4.756 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.249 -3.847 6.206 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.855 -3.265 5.663 1.00 1.30 H new ATOM 0 HD2 TYR A 62 0.515 -6.794 5.948 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -3.828 -4.532 6.388 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -1.455 -8.060 6.678 1.00 1.35 H new ATOM 0 HH TYR A 62 -3.641 -7.585 7.799 1.00 1.10 H new ATOM 1011 N LEU A 63 2.480 -2.524 3.294 1.00 0.33 N ATOM 1012 CA LEU A 63 3.722 -1.825 2.987 1.00 0.34 C ATOM 1013 C LEU A 63 3.428 -0.397 2.533 1.00 0.32 C ATOM 1014 O LEU A 63 4.063 0.555 2.990 1.00 0.35 O ATOM 1015 CB LEU A 63 4.495 -2.576 1.899 1.00 0.36 C ATOM 1016 CG LEU A 63 5.892 -2.029 1.597 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.799 -2.186 2.805 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.488 -2.726 0.386 1.00 1.45 C ATOM 0 H LEU A 63 2.300 -3.339 2.707 1.00 0.33 H new ATOM 0 HA LEU A 63 4.333 -1.786 3.889 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.588 -3.620 2.197 1.00 0.36 H new ATOM 0 HB3 LEU A 63 3.909 -2.557 0.980 1.00 0.36 H new ATOM 0 HG LEU A 63 5.803 -0.966 1.371 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.788 -1.792 2.571 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.380 -1.638 3.649 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.881 -3.242 3.063 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.481 -2.324 0.187 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.562 -3.796 0.582 1.00 1.45 H new ATOM 0 HD23 LEU A 63 5.849 -2.559 -0.481 1.00 1.45 H new ATOM 1030 N MET A 64 2.447 -0.261 1.645 1.00 0.31 N ATOM 1031 CA MET A 64 2.052 1.045 1.131 1.00 0.34 C ATOM 1032 C MET A 64 1.525 1.910 2.268 1.00 0.32 C ATOM 1033 O MET A 64 1.927 3.058 2.428 1.00 0.33 O ATOM 1034 CB MET A 64 0.982 0.889 0.043 1.00 0.38 C ATOM 1035 CG MET A 64 0.565 2.200 -0.614 1.00 0.61 C ATOM 1036 SD MET A 64 -0.837 2.985 0.207 1.00 0.47 S ATOM 1037 CE MET A 64 -2.151 1.820 -0.152 1.00 0.50 C ATOM 0 H MET A 64 1.911 -1.042 1.266 1.00 0.31 H new ATOM 0 HA MET A 64 2.924 1.529 0.691 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.357 0.213 -0.726 1.00 0.38 H new ATOM 0 HB3 MET A 64 0.101 0.418 0.480 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.412 2.887 -0.612 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.310 2.012 -1.657 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.947 2.326 -0.698 1.00 0.50 H new ATOM 0 HE2 MET A 64 -1.758 1.003 -0.758 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.548 1.421 0.781 1.00 0.50 H new ATOM 1047 N ASN A 65 0.648 1.323 3.074 1.00 0.34 N ATOM 1048 CA ASN A 65 0.041 2.013 4.210 1.00 0.36 C ATOM 1049 C ASN A 65 1.101 2.559 5.166 1.00 0.35 C ATOM 1050 O ASN A 65 0.974 3.665 5.689 1.00 0.41 O ATOM 1051 CB ASN A 65 -0.901 1.056 4.954 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.076 1.403 6.423 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -1.900 2.242 6.778 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -0.314 0.750 7.288 1.00 1.69 N ATOM 0 H ASN A 65 0.337 0.358 2.961 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.528 2.861 3.828 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.876 1.066 4.467 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.514 0.040 4.872 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -0.401 0.937 8.287 1.00 1.69 H new ATOM 0 HD22 ASN A 65 0.359 0.060 6.955 1.00 1.69 H new ATOM 1061 N HIS A 66 2.153 1.784 5.369 1.00 0.34 N ATOM 1062 CA HIS A 66 3.228 2.171 6.272 1.00 0.37 C ATOM 1063 C HIS A 66 4.035 3.345 5.711 1.00 0.36 C ATOM 1064 O HIS A 66 4.189 4.375 6.376 1.00 0.40 O ATOM 1065 CB HIS A 66 4.147 0.971 6.522 1.00 0.44 C ATOM 1066 CG HIS A 66 4.792 0.960 7.876 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.481 2.046 8.358 1.00 1.54 N ATOM 1068 CD2 HIS A 66 4.824 -0.028 8.802 1.00 1.09 C ATOM 1069 CE1 HIS A 66 5.907 1.700 9.558 1.00 1.46 C ATOM 1070 NE2 HIS A 66 5.534 0.453 9.873 1.00 1.04 N ATOM 0 H HIS A 66 2.287 0.879 4.919 1.00 0.34 H new ATOM 0 HA HIS A 66 2.783 2.494 7.213 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.570 0.054 6.400 1.00 0.44 H new ATOM 0 HB3 HIS A 66 4.927 0.961 5.761 1.00 0.44 H new ATOM 0 HD2 HIS A 66 4.376 -1.007 8.714 1.00 1.09 H new ATOM 0 HE1 HIS A 66 6.485 2.343 10.206 1.00 1.46 H new ATOM 0 HE2 HIS A 66 5.738 -0.043 10.741 1.00 1.04 H new ATOM 1078 N VAL A 67 4.514 3.204 4.479 1.00 0.35 N ATOM 1079 CA VAL A 67 5.330 4.246 3.857 1.00 0.39 C ATOM 1080 C VAL A 67 4.566 5.557 3.661 1.00 0.39 C ATOM 1081 O VAL A 67 5.155 6.632 3.751 1.00 0.48 O ATOM 1082 CB VAL A 67 5.937 3.796 2.505 1.00 0.42 C ATOM 1083 CG1 VAL A 67 6.849 2.597 2.700 1.00 1.16 C ATOM 1084 CG2 VAL A 67 4.856 3.486 1.485 1.00 1.40 C ATOM 0 H VAL A 67 4.354 2.385 3.893 1.00 0.35 H new ATOM 0 HA VAL A 67 6.143 4.425 4.560 1.00 0.39 H new ATOM 0 HB VAL A 67 6.530 4.624 2.117 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.265 2.296 1.739 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.659 2.863 3.379 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.278 1.770 3.122 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.318 3.174 0.549 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.220 2.685 1.861 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.253 4.377 1.312 1.00 1.40 H new ATOM 1094 N VAL A 68 3.261 5.486 3.412 1.00 0.34 N ATOM 1095 CA VAL A 68 2.480 6.702 3.206 1.00 0.37 C ATOM 1096 C VAL A 68 2.114 7.370 4.533 1.00 0.39 C ATOM 1097 O VAL A 68 2.022 8.596 4.606 1.00 0.43 O ATOM 1098 CB VAL A 68 1.201 6.464 2.368 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.557 5.952 0.980 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.244 5.511 3.068 1.00 0.37 C ATOM 0 H VAL A 68 2.730 4.617 3.349 1.00 0.34 H new ATOM 0 HA VAL A 68 3.126 7.372 2.638 1.00 0.37 H new ATOM 0 HB VAL A 68 0.691 7.421 2.262 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.644 5.791 0.406 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.181 6.686 0.470 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.101 5.012 1.068 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.643 5.367 2.451 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.736 4.551 3.225 1.00 0.37 H new ATOM 0 HG23 VAL A 68 -0.048 5.931 4.031 1.00 0.37 H new ATOM 1110 N GLN A 69 1.923 6.573 5.582 1.00 0.39 N ATOM 1111 CA GLN A 69 1.578 7.119 6.892 1.00 0.45 C ATOM 1112 C GLN A 69 2.802 7.743 7.552 1.00 0.45 C ATOM 1113 O GLN A 69 2.703 8.764 8.236 1.00 0.50 O ATOM 1114 CB GLN A 69 0.981 6.040 7.804 1.00 0.52 C ATOM 1115 CG GLN A 69 -0.536 5.952 7.728 1.00 0.82 C ATOM 1116 CD GLN A 69 -1.150 5.293 8.953 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -1.444 5.958 9.948 1.00 1.83 O ATOM 1118 NE2 GLN A 69 -1.367 3.989 8.887 1.00 2.02 N ATOM 0 H GLN A 69 2.000 5.556 5.552 1.00 0.39 H new ATOM 0 HA GLN A 69 0.825 7.893 6.741 1.00 0.45 H new ATOM 0 HB2 GLN A 69 1.407 5.073 7.536 1.00 0.52 H new ATOM 0 HB3 GLN A 69 1.274 6.243 8.834 1.00 0.52 H new ATOM 0 HG2 GLN A 69 -0.948 6.955 7.615 1.00 0.82 H new ATOM 0 HG3 GLN A 69 -0.819 5.389 6.838 1.00 0.82 H new ATOM 0 HE21 GLN A 69 -1.110 3.471 8.046 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -1.791 3.502 9.677 1.00 2.02 H new ATOM 1127 N GLN A 70 3.960 7.135 7.332 1.00 0.44 N ATOM 1128 CA GLN A 70 5.203 7.629 7.910 1.00 0.49 C ATOM 1129 C GLN A 70 5.812 8.737 7.053 1.00 0.46 C ATOM 1130 O GLN A 70 6.729 9.436 7.486 1.00 0.49 O ATOM 1131 CB GLN A 70 6.205 6.488 8.081 1.00 0.58 C ATOM 1132 CG GLN A 70 5.816 5.495 9.165 1.00 0.78 C ATOM 1133 CD GLN A 70 5.673 6.145 10.530 1.00 1.39 C ATOM 1134 OE1 GLN A 70 4.583 6.552 10.928 1.00 2.10 O ATOM 1135 NE2 GLN A 70 6.779 6.260 11.247 1.00 2.02 N ATOM 0 H GLN A 70 4.065 6.299 6.757 1.00 0.44 H new ATOM 0 HA GLN A 70 4.970 8.046 8.890 1.00 0.49 H new ATOM 0 HB2 GLN A 70 6.305 5.958 7.134 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.183 6.907 8.317 1.00 0.58 H new ATOM 0 HG2 GLN A 70 4.874 5.018 8.894 1.00 0.78 H new ATOM 0 HG3 GLN A 70 6.569 4.708 9.219 1.00 0.78 H new ATOM 0 HE21 GLN A 70 7.664 5.909 10.880 1.00 2.02 H new ATOM 0 HE22 GLN A 70 6.747 6.700 12.167 1.00 2.02 H new ATOM 1144 N ALA A 71 5.285 8.908 5.844 1.00 0.46 N ATOM 1145 CA ALA A 71 5.780 9.938 4.935 1.00 0.47 C ATOM 1146 C ALA A 71 5.509 11.331 5.486 1.00 0.46 C ATOM 1147 O ALA A 71 6.198 12.292 5.135 1.00 0.48 O ATOM 1148 CB ALA A 71 5.151 9.783 3.560 1.00 0.51 C ATOM 0 H ALA A 71 4.518 8.349 5.472 1.00 0.46 H new ATOM 0 HA ALA A 71 6.859 9.813 4.842 1.00 0.47 H new ATOM 0 HB1 ALA A 71 5.532 10.559 2.896 1.00 0.51 H new ATOM 0 HB2 ALA A 71 5.401 8.803 3.154 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.068 9.875 3.643 1.00 0.51 H new ATOM 1154 N LYS A 72 4.514 11.434 6.358 1.00 0.49 N ATOM 1155 CA LYS A 72 4.161 12.708 6.971 1.00 0.55 C ATOM 1156 C LYS A 72 5.283 13.185 7.890 1.00 0.54 C ATOM 1157 O LYS A 72 5.590 14.376 7.944 1.00 0.59 O ATOM 1158 CB LYS A 72 2.856 12.584 7.759 1.00 0.66 C ATOM 1159 CG LYS A 72 1.628 12.364 6.890 1.00 0.84 C ATOM 1160 CD LYS A 72 1.233 13.626 6.129 1.00 1.07 C ATOM 1161 CE LYS A 72 0.077 14.350 6.804 1.00 1.60 C ATOM 1162 NZ LYS A 72 0.494 15.042 8.054 1.00 2.09 N ATOM 0 H LYS A 72 3.936 10.649 6.657 1.00 0.49 H new ATOM 0 HA LYS A 72 4.020 13.441 6.177 1.00 0.55 H new ATOM 0 HB2 LYS A 72 2.945 11.755 8.461 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.713 13.489 8.350 1.00 0.66 H new ATOM 0 HG2 LYS A 72 1.825 11.560 6.181 1.00 0.84 H new ATOM 0 HG3 LYS A 72 0.795 12.042 7.515 1.00 0.84 H new ATOM 0 HD2 LYS A 72 2.091 14.294 6.061 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.952 13.363 5.109 1.00 1.07 H new ATOM 0 HE2 LYS A 72 -0.346 15.079 6.112 1.00 1.60 H new ATOM 0 HE3 LYS A 72 -0.712 13.634 7.034 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -0.295 15.616 8.413 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 0.762 14.336 8.769 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 1.308 15.658 7.855 1.00 2.09 H new ATOM 1176 N GLY A 73 5.899 12.242 8.600 1.00 0.54 N ATOM 1177 CA GLY A 73 6.986 12.578 9.503 1.00 0.59 C ATOM 1178 C GLY A 73 8.251 12.921 8.750 1.00 0.56 C ATOM 1179 O GLY A 73 9.068 13.721 9.209 1.00 0.66 O ATOM 0 H GLY A 73 5.664 11.250 8.565 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.693 13.423 10.127 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.177 11.739 10.172 1.00 0.59 H new ATOM 1183 N GLN A 74 8.413 12.305 7.587 1.00 0.52 N ATOM 1184 CA GLN A 74 9.577 12.542 6.742 1.00 0.55 C ATOM 1185 C GLN A 74 9.392 13.820 5.932 1.00 0.51 C ATOM 1186 O GLN A 74 10.347 14.355 5.373 1.00 0.56 O ATOM 1187 CB GLN A 74 9.795 11.357 5.797 1.00 0.62 C ATOM 1188 CG GLN A 74 10.444 10.153 6.458 1.00 0.80 C ATOM 1189 CD GLN A 74 11.963 10.213 6.426 1.00 0.94 C ATOM 1190 OE1 GLN A 74 12.560 11.293 6.419 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.598 9.051 6.393 1.00 1.42 N ATOM 0 H GLN A 74 7.748 11.633 7.205 1.00 0.52 H new ATOM 0 HA GLN A 74 10.452 12.652 7.382 1.00 0.55 H new ATOM 0 HB2 GLN A 74 8.834 11.056 5.380 1.00 0.62 H new ATOM 0 HB3 GLN A 74 10.417 11.680 4.963 1.00 0.62 H new ATOM 0 HG2 GLN A 74 10.109 10.088 7.493 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.110 9.245 5.957 1.00 0.80 H new ATOM 0 HE21 GLN A 74 12.068 8.180 6.400 1.00 1.42 H new ATOM 0 HE22 GLN A 74 13.617 9.028 6.360 1.00 1.42 H new ATOM 1200 N LYS A 75 8.145 14.290 5.880 1.00 0.47 N ATOM 1201 CA LYS A 75 7.777 15.499 5.141 1.00 0.50 C ATOM 1202 C LYS A 75 7.989 15.300 3.641 1.00 0.47 C ATOM 1203 O LYS A 75 8.210 16.256 2.892 1.00 0.54 O ATOM 1204 CB LYS A 75 8.554 16.720 5.648 1.00 0.62 C ATOM 1205 CG LYS A 75 8.225 17.093 7.084 1.00 0.77 C ATOM 1206 CD LYS A 75 8.901 18.389 7.490 1.00 1.33 C ATOM 1207 CE LYS A 75 8.647 18.721 8.950 1.00 1.99 C ATOM 1208 NZ LYS A 75 9.367 17.798 9.867 1.00 2.70 N ATOM 0 H LYS A 75 7.359 13.842 6.351 1.00 0.47 H new ATOM 0 HA LYS A 75 6.717 15.688 5.314 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.622 16.520 5.568 1.00 0.62 H new ATOM 0 HB3 LYS A 75 8.340 17.571 5.002 1.00 0.62 H new ATOM 0 HG2 LYS A 75 7.146 17.193 7.197 1.00 0.77 H new ATOM 0 HG3 LYS A 75 8.542 16.291 7.751 1.00 0.77 H new ATOM 0 HD2 LYS A 75 9.974 18.310 7.316 1.00 1.33 H new ATOM 0 HD3 LYS A 75 8.536 19.202 6.863 1.00 1.33 H new ATOM 0 HE2 LYS A 75 8.961 19.746 9.148 1.00 1.99 H new ATOM 0 HE3 LYS A 75 7.577 18.670 9.152 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 9.291 18.149 10.843 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 8.945 16.849 9.806 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 10.369 17.749 9.594 1.00 2.70 H new ATOM 1222 N ILE A 76 7.909 14.050 3.212 1.00 0.42 N ATOM 1223 CA ILE A 76 8.074 13.706 1.811 1.00 0.42 C ATOM 1224 C ILE A 76 6.733 13.271 1.235 1.00 0.38 C ATOM 1225 O ILE A 76 6.409 12.082 1.209 1.00 0.40 O ATOM 1226 CB ILE A 76 9.115 12.579 1.602 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.460 12.952 2.242 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.295 12.281 0.115 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.133 14.146 1.596 1.00 0.63 C ATOM 0 H ILE A 76 7.729 13.252 3.821 1.00 0.42 H new ATOM 0 HA ILE A 76 8.442 14.593 1.295 1.00 0.42 H new ATOM 0 HB ILE A 76 8.742 11.679 2.091 1.00 0.46 H new ATOM 0 HG12 ILE A 76 10.303 13.163 3.300 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.130 12.094 2.185 1.00 0.55 H new ATOM 0 HG21 ILE A 76 10.030 11.486 -0.010 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.343 11.965 -0.311 1.00 0.49 H new ATOM 0 HG23 ILE A 76 9.640 13.179 -0.397 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.077 14.349 2.102 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.323 13.931 0.544 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.483 15.018 1.677 1.00 0.63 H new ATOM 1241 N ILE A 77 5.953 14.239 0.778 1.00 0.40 N ATOM 1242 CA ILE A 77 4.641 13.954 0.216 1.00 0.42 C ATOM 1243 C ILE A 77 4.771 13.310 -1.161 1.00 0.39 C ATOM 1244 O ILE A 77 3.803 12.783 -1.702 1.00 0.40 O ATOM 1245 CB ILE A 77 3.760 15.225 0.132 1.00 0.52 C ATOM 1246 CG1 ILE A 77 4.346 16.248 -0.843 1.00 0.59 C ATOM 1247 CG2 ILE A 77 3.602 15.842 1.513 1.00 0.57 C ATOM 1248 CD1 ILE A 77 3.645 16.277 -2.186 1.00 0.86 C ATOM 0 H ILE A 77 6.205 15.227 0.785 1.00 0.40 H new ATOM 0 HA ILE A 77 4.148 13.253 0.889 1.00 0.42 H new ATOM 0 HB ILE A 77 2.780 14.932 -0.244 1.00 0.52 H new ATOM 0 HG12 ILE A 77 4.292 17.239 -0.393 1.00 0.59 H new ATOM 0 HG13 ILE A 77 5.402 16.026 -0.998 1.00 0.59 H new ATOM 0 HG21 ILE A 77 2.981 16.735 1.444 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.129 15.122 2.181 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.583 16.112 1.905 1.00 0.57 H new ATOM 0 HD11 ILE A 77 4.114 17.025 -2.825 1.00 0.86 H new ATOM 0 HD12 ILE A 77 3.722 15.297 -2.658 1.00 0.86 H new ATOM 0 HD13 ILE A 77 2.594 16.529 -2.043 1.00 0.86 H new ATOM 1260 N GLN A 78 5.983 13.348 -1.710 1.00 0.41 N ATOM 1261 CA GLN A 78 6.260 12.759 -3.017 1.00 0.43 C ATOM 1262 C GLN A 78 5.951 11.268 -2.997 1.00 0.36 C ATOM 1263 O GLN A 78 5.467 10.712 -3.983 1.00 0.36 O ATOM 1264 CB GLN A 78 7.721 12.994 -3.425 1.00 0.52 C ATOM 1265 CG GLN A 78 8.025 14.434 -3.821 1.00 0.81 C ATOM 1266 CD GLN A 78 8.230 15.343 -2.625 1.00 1.36 C ATOM 1267 OE1 GLN A 78 7.274 15.863 -2.055 1.00 2.22 O ATOM 1268 NE2 GLN A 78 9.476 15.558 -2.242 1.00 1.73 N ATOM 0 H GLN A 78 6.792 13.783 -1.267 1.00 0.41 H new ATOM 0 HA GLN A 78 5.619 13.243 -3.754 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.370 12.710 -2.597 1.00 0.52 H new ATOM 0 HB3 GLN A 78 7.965 12.338 -4.261 1.00 0.52 H new ATOM 0 HG2 GLN A 78 8.920 14.453 -4.444 1.00 0.81 H new ATOM 0 HG3 GLN A 78 7.206 14.819 -4.428 1.00 0.81 H new ATOM 0 HE21 GLN A 78 10.247 15.110 -2.738 1.00 1.73 H new ATOM 0 HE22 GLN A 78 9.667 16.172 -1.450 1.00 1.73 H new ATOM 1277 N PHE A 79 6.215 10.630 -1.863 1.00 0.36 N ATOM 1278 CA PHE A 79 5.944 9.208 -1.707 1.00 0.36 C ATOM 1279 C PHE A 79 4.440 8.966 -1.775 1.00 0.33 C ATOM 1280 O PHE A 79 3.969 8.052 -2.453 1.00 0.36 O ATOM 1281 CB PHE A 79 6.486 8.712 -0.363 1.00 0.42 C ATOM 1282 CG PHE A 79 7.446 7.558 -0.476 1.00 0.40 C ATOM 1283 CD1 PHE A 79 6.986 6.276 -0.737 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.807 7.757 -0.317 1.00 1.29 C ATOM 1285 CE1 PHE A 79 7.871 5.216 -0.840 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.693 6.700 -0.419 1.00 1.34 C ATOM 1287 CZ PHE A 79 9.224 5.428 -0.681 1.00 0.64 C ATOM 0 H PHE A 79 6.617 11.076 -1.038 1.00 0.36 H new ATOM 0 HA PHE A 79 6.438 8.661 -2.510 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.986 9.538 0.142 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.648 8.413 0.267 1.00 0.42 H new ATOM 0 HD1 PHE A 79 5.927 6.103 -0.861 1.00 1.24 H new ATOM 0 HD2 PHE A 79 9.181 8.749 -0.111 1.00 1.29 H new ATOM 0 HE1 PHE A 79 7.501 4.222 -1.045 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.752 6.870 -0.294 1.00 1.34 H new ATOM 0 HZ PHE A 79 9.915 4.602 -0.761 1.00 0.64 H new ATOM 1297 N GLN A 80 3.698 9.827 -1.091 1.00 0.33 N ATOM 1298 CA GLN A 80 2.248 9.734 -1.043 1.00 0.38 C ATOM 1299 C GLN A 80 1.630 10.063 -2.396 1.00 0.33 C ATOM 1300 O GLN A 80 0.640 9.460 -2.792 1.00 0.39 O ATOM 1301 CB GLN A 80 1.702 10.680 0.024 1.00 0.48 C ATOM 1302 CG GLN A 80 2.254 10.410 1.411 1.00 0.60 C ATOM 1303 CD GLN A 80 2.040 11.569 2.363 1.00 0.75 C ATOM 1304 OE1 GLN A 80 2.022 12.732 1.960 1.00 1.30 O ATOM 1305 NE2 GLN A 80 1.880 11.260 3.637 1.00 1.11 N ATOM 0 H GLN A 80 4.084 10.606 -0.557 1.00 0.33 H new ATOM 0 HA GLN A 80 1.981 8.708 -0.789 1.00 0.38 H new ATOM 0 HB2 GLN A 80 1.936 11.707 -0.258 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.616 10.596 0.051 1.00 0.48 H new ATOM 0 HG2 GLN A 80 1.779 9.518 1.819 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.321 10.198 1.338 1.00 0.60 H new ATOM 0 HE21 GLN A 80 1.901 10.284 3.932 1.00 1.11 H new ATOM 0 HE22 GLN A 80 1.735 11.998 4.326 1.00 1.11 H new ATOM 1314 N ASP A 81 2.213 11.024 -3.103 1.00 0.33 N ATOM 1315 CA ASP A 81 1.703 11.416 -4.413 1.00 0.35 C ATOM 1316 C ASP A 81 1.951 10.322 -5.443 1.00 0.32 C ATOM 1317 O ASP A 81 1.072 9.994 -6.242 1.00 0.37 O ATOM 1318 CB ASP A 81 2.349 12.717 -4.881 1.00 0.41 C ATOM 1319 CG ASP A 81 1.897 13.102 -6.276 1.00 0.52 C ATOM 1320 OD1 ASP A 81 0.722 13.486 -6.438 1.00 1.32 O ATOM 1321 OD2 ASP A 81 2.708 13.011 -7.220 1.00 1.16 O ATOM 0 H ASP A 81 3.034 11.544 -2.794 1.00 0.33 H new ATOM 0 HA ASP A 81 0.628 11.570 -4.315 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.099 13.517 -4.185 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.434 12.609 -4.867 1.00 0.41 H new ATOM 1326 N SER A 82 3.154 9.759 -5.418 1.00 0.31 N ATOM 1327 CA SER A 82 3.526 8.701 -6.348 1.00 0.32 C ATOM 1328 C SER A 82 2.656 7.465 -6.153 1.00 0.29 C ATOM 1329 O SER A 82 2.179 6.869 -7.118 1.00 0.30 O ATOM 1330 CB SER A 82 4.999 8.334 -6.176 1.00 0.36 C ATOM 1331 OG SER A 82 5.831 9.471 -6.352 1.00 0.94 O ATOM 0 H SER A 82 3.890 10.019 -4.761 1.00 0.31 H new ATOM 0 HA SER A 82 3.367 9.075 -7.359 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.159 7.912 -5.184 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.272 7.564 -6.897 1.00 0.36 H new ATOM 0 HG SER A 82 5.641 10.127 -5.650 1.00 0.94 H new ATOM 1337 N PHE A 83 2.445 7.086 -4.899 1.00 0.27 N ATOM 1338 CA PHE A 83 1.630 5.923 -4.588 1.00 0.26 C ATOM 1339 C PHE A 83 0.145 6.249 -4.675 1.00 0.26 C ATOM 1340 O PHE A 83 -0.652 5.407 -5.056 1.00 0.30 O ATOM 1341 CB PHE A 83 1.957 5.391 -3.194 1.00 0.27 C ATOM 1342 CG PHE A 83 3.063 4.376 -3.187 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.788 3.031 -3.371 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.379 4.767 -2.998 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.804 2.095 -3.367 1.00 1.22 C ATOM 1346 CE2 PHE A 83 5.397 3.836 -2.993 1.00 1.23 C ATOM 1347 CZ PHE A 83 5.110 2.498 -3.178 1.00 0.37 C ATOM 0 H PHE A 83 2.826 7.567 -4.084 1.00 0.27 H new ATOM 0 HA PHE A 83 1.861 5.156 -5.327 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.236 6.226 -2.551 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.061 4.944 -2.765 1.00 0.27 H new ATOM 0 HD1 PHE A 83 1.767 2.710 -3.519 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.610 5.812 -2.853 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.576 1.049 -3.512 1.00 1.22 H new ATOM 0 HE2 PHE A 83 6.418 4.154 -2.844 1.00 1.23 H new ATOM 0 HZ PHE A 83 5.906 1.768 -3.175 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.216 7.474 -4.329 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.607 7.892 -4.351 1.00 0.30 C ATOM 1359 C GLY A 84 -2.275 7.758 -5.705 1.00 0.30 C ATOM 1360 O GLY A 84 -3.400 7.265 -5.796 1.00 0.34 O ATOM 0 H GLY A 84 0.437 8.198 -4.029 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.164 7.301 -3.624 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.667 8.932 -4.030 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.586 8.172 -6.762 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.158 8.107 -8.103 1.00 0.36 C ATOM 1366 C LYS A 85 -2.379 6.664 -8.569 1.00 0.34 C ATOM 1367 O LYS A 85 -3.183 6.420 -9.468 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.294 8.874 -9.114 1.00 0.42 C ATOM 1369 CG LYS A 85 0.198 8.598 -9.015 1.00 0.48 C ATOM 1370 CD LYS A 85 0.962 9.315 -10.122 1.00 0.62 C ATOM 1371 CE LYS A 85 1.910 10.375 -9.576 1.00 0.96 C ATOM 1372 NZ LYS A 85 1.185 11.466 -8.874 1.00 1.31 N ATOM 0 H LYS A 85 -0.641 8.552 -6.719 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.135 8.586 -8.050 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.630 8.625 -10.121 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.462 9.942 -8.978 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.568 8.924 -8.043 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.378 7.525 -9.081 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.530 8.586 -10.700 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.253 9.782 -10.806 1.00 0.62 H new ATOM 0 HE2 LYS A 85 2.617 9.909 -8.889 1.00 0.96 H new ATOM 0 HE3 LYS A 85 2.493 10.796 -10.395 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 1.859 12.206 -8.593 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 0.469 11.873 -9.510 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 0.718 11.084 -8.027 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.679 5.710 -7.963 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.842 4.308 -8.339 1.00 0.29 C ATOM 1388 C VAL A 86 -2.623 3.542 -7.267 1.00 0.27 C ATOM 1389 O VAL A 86 -3.148 2.457 -7.521 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.482 3.609 -8.590 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.319 4.345 -9.655 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.324 3.483 -7.302 1.00 0.31 C ATOM 0 H VAL A 86 -1.002 5.877 -7.219 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.405 4.298 -9.273 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.691 2.603 -8.953 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.269 3.835 -9.813 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.244 4.360 -10.588 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.506 5.368 -9.328 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.272 2.988 -7.513 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.515 4.475 -6.894 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.238 2.895 -6.577 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.705 4.124 -6.074 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.410 3.513 -4.953 1.00 0.30 C ATOM 1404 C ALA A 87 -4.885 3.353 -5.261 1.00 0.28 C ATOM 1405 O ALA A 87 -5.453 2.288 -5.043 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.227 4.336 -3.684 1.00 0.38 C ATOM 0 H ALA A 87 -2.286 5.029 -5.858 1.00 0.29 H new ATOM 0 HA ALA A 87 -2.981 2.524 -4.792 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.762 3.861 -2.862 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.166 4.397 -3.440 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.622 5.340 -3.841 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.496 4.414 -5.781 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.914 4.390 -6.123 1.00 0.36 C ATOM 1414 C ALA A 88 -7.220 3.240 -7.076 1.00 0.34 C ATOM 1415 O ALA A 88 -8.232 2.554 -6.934 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.327 5.719 -6.735 1.00 0.45 C ATOM 0 H ALA A 88 -5.031 5.301 -5.975 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.489 4.233 -5.210 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.387 5.690 -6.986 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.146 6.521 -6.020 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.745 5.900 -7.638 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.322 3.025 -8.029 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.475 1.957 -9.000 1.00 0.32 C ATOM 1424 C GLU A 89 -6.379 0.600 -8.309 1.00 0.29 C ATOM 1425 O GLU A 89 -7.319 -0.190 -8.343 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.399 2.081 -10.086 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.394 0.939 -11.094 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.579 0.980 -12.036 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -6.744 1.994 -12.744 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -7.355 0.001 -12.072 1.00 1.56 O ATOM 0 H GLU A 89 -5.476 3.582 -8.148 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.457 2.039 -9.467 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.544 3.021 -10.619 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.421 2.133 -9.608 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.473 0.978 -11.675 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.394 -0.011 -10.559 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.248 0.361 -7.650 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.001 -0.900 -6.962 1.00 0.28 C ATOM 1439 C VAL A 90 -6.093 -1.216 -5.942 1.00 0.27 C ATOM 1440 O VAL A 90 -6.653 -2.313 -5.952 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.624 -0.891 -6.259 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.425 -2.153 -5.435 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.506 -0.744 -7.278 1.00 0.32 C ATOM 0 H VAL A 90 -4.483 1.032 -7.579 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.008 -1.679 -7.725 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.596 -0.036 -5.584 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.449 -2.121 -4.951 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.204 -2.219 -4.676 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.479 -3.025 -6.087 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.544 -0.740 -6.765 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.540 -1.579 -7.978 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.631 0.192 -7.823 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.414 -0.249 -5.088 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.427 -0.443 -4.056 1.00 0.28 C ATOM 1455 C LEU A 91 -8.778 -0.808 -4.663 1.00 0.27 C ATOM 1456 O LEU A 91 -9.449 -1.716 -4.183 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.558 0.808 -3.184 1.00 0.31 C ATOM 1458 CG LEU A 91 -6.327 1.147 -2.335 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -6.535 2.455 -1.589 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -6.026 0.024 -1.355 1.00 0.89 C ATOM 0 H LEU A 91 -5.987 0.677 -5.090 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.103 -1.274 -3.430 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.780 1.659 -3.829 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.413 0.680 -2.520 1.00 0.31 H new ATOM 0 HG LEU A 91 -5.474 1.261 -3.004 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -5.651 2.678 -0.992 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -6.702 3.260 -2.305 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.402 2.366 -0.934 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.149 0.284 -0.762 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -6.881 -0.121 -0.694 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.832 -0.897 -1.905 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.159 -0.117 -5.733 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.428 -0.395 -6.384 1.00 0.31 C ATOM 1474 C GLY A 92 -10.464 -1.777 -7.017 1.00 0.33 C ATOM 1475 O GLY A 92 -11.513 -2.422 -7.067 1.00 0.41 O ATOM 0 H GLY A 92 -8.612 0.630 -6.161 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.234 -0.311 -5.654 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.613 0.358 -7.150 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.312 -2.236 -7.489 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.208 -3.543 -8.130 1.00 0.37 C ATOM 1481 C ARG A 93 -9.196 -4.665 -7.098 1.00 0.37 C ATOM 1482 O ARG A 93 -10.002 -5.594 -7.174 1.00 0.42 O ATOM 1483 CB ARG A 93 -7.943 -3.617 -8.983 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.875 -2.545 -10.053 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.636 -2.948 -11.301 1.00 0.95 C ATOM 1486 NE ARG A 93 -7.895 -3.927 -12.095 1.00 1.84 N ATOM 1487 CZ ARG A 93 -6.918 -3.611 -12.943 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -6.550 -2.345 -13.104 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -6.295 -4.571 -13.620 1.00 3.46 N ATOM 0 H ARG A 93 -8.433 -1.721 -7.440 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.083 -3.670 -8.768 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.071 -3.529 -8.335 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -7.890 -4.597 -9.457 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.285 -1.614 -9.662 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.833 -2.352 -10.309 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.603 -3.365 -11.019 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -8.835 -2.064 -11.907 1.00 0.95 H new ATOM 0 HE ARG A 93 -8.141 -4.912 -11.993 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -7.017 -1.607 -12.576 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -5.801 -2.111 -13.755 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -6.566 -5.546 -13.489 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -5.546 -4.333 -14.270 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.296 -4.564 -6.123 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.172 -5.585 -5.087 1.00 0.40 C ATOM 1505 C ILE A 94 -9.405 -5.621 -4.193 1.00 0.39 C ATOM 1506 O ILE A 94 -9.645 -6.608 -3.508 1.00 0.43 O ATOM 1507 CB ILE A 94 -6.905 -5.401 -4.221 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -6.957 -4.077 -3.449 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.657 -5.472 -5.091 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -5.780 -3.871 -2.519 1.00 0.50 C ATOM 0 H ILE A 94 -7.643 -3.786 -6.029 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.083 -6.537 -5.611 1.00 0.40 H new ATOM 0 HB ILE A 94 -6.865 -6.211 -3.492 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -6.996 -3.252 -4.161 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -7.879 -4.040 -2.868 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -4.772 -5.341 -4.469 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.613 -6.443 -5.585 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.692 -4.683 -5.843 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -5.884 -2.915 -2.007 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -5.752 -4.675 -1.784 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -4.855 -3.875 -3.096 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.185 -4.544 -4.208 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.415 -4.471 -3.420 1.00 0.40 C ATOM 1524 C ASN A 95 -12.384 -5.557 -3.873 1.00 0.43 C ATOM 1525 O ASN A 95 -13.157 -6.092 -3.086 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.063 -3.086 -3.572 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.488 -3.027 -3.049 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.721 -2.809 -1.863 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.452 -3.201 -3.940 1.00 0.79 N ATOM 0 H ASN A 95 -9.988 -3.708 -4.758 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.172 -4.627 -2.369 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.458 -2.350 -3.042 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.058 -2.804 -4.625 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.429 -3.156 -3.650 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.218 -3.380 -4.916 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.307 -5.895 -5.151 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.169 -6.912 -5.725 1.00 0.48 C ATOM 1538 C GLN A 96 -12.566 -8.298 -5.518 1.00 0.49 C ATOM 1539 O GLN A 96 -13.241 -9.313 -5.676 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.367 -6.647 -7.217 1.00 0.59 C ATOM 1541 CG GLN A 96 -13.492 -5.172 -7.562 1.00 0.93 C ATOM 1542 CD GLN A 96 -13.298 -4.895 -9.040 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.695 -5.691 -9.893 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -12.666 -3.774 -9.355 1.00 1.14 N ATOM 0 H GLN A 96 -11.652 -5.476 -5.812 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.136 -6.873 -5.224 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -12.527 -7.070 -7.767 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.263 -7.168 -7.554 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -14.475 -4.814 -7.256 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.755 -4.607 -6.991 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.353 -3.141 -8.619 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -12.492 -3.544 -10.333 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.289 -8.327 -5.164 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.580 -9.580 -4.937 1.00 0.48 C ATOM 1555 C GLU A 97 -10.653 -9.984 -3.470 1.00 0.44 C ATOM 1556 O GLU A 97 -10.768 -11.166 -3.143 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.110 -9.442 -5.338 1.00 0.56 C ATOM 1558 CG GLU A 97 -8.890 -9.080 -6.796 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.426 -9.129 -7.180 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.688 -9.954 -6.603 1.00 1.33 O ATOM 1561 OE2 GLU A 97 -7.004 -8.354 -8.061 1.00 1.30 O ATOM 0 H GLU A 97 -10.719 -7.492 -5.027 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.057 -10.347 -5.547 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.645 -8.680 -4.713 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.599 -10.382 -5.128 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.453 -9.766 -7.428 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.280 -8.080 -6.984 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.566 -8.991 -2.599 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.599 -9.212 -1.162 1.00 0.43 C ATOM 1570 C PHE A 98 -11.968 -9.713 -0.707 1.00 0.49 C ATOM 1571 O PHE A 98 -12.987 -9.068 -0.945 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.236 -7.918 -0.424 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.756 -7.611 -0.399 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.877 -8.247 -1.264 1.00 1.22 C ATOM 1575 CD2 PHE A 98 -8.246 -6.682 0.495 1.00 1.34 C ATOM 1576 CE1 PHE A 98 -6.524 -7.964 -1.238 1.00 1.21 C ATOM 1577 CE2 PHE A 98 -6.893 -6.395 0.525 1.00 1.39 C ATOM 1578 CZ PHE A 98 -6.032 -7.036 -0.342 1.00 0.56 C ATOM 0 H PHE A 98 -10.471 -8.012 -2.867 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.865 -9.981 -0.921 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.760 -7.086 -0.894 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.599 -7.984 0.602 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.255 -8.974 -1.968 1.00 1.22 H new ATOM 0 HD2 PHE A 98 -8.914 -6.176 1.177 1.00 1.34 H new ATOM 0 HE1 PHE A 98 -5.853 -8.468 -1.918 1.00 1.21 H new ATOM 0 HE2 PHE A 98 -6.511 -5.669 1.227 1.00 1.39 H new ATOM 0 HZ PHE A 98 -4.976 -6.812 -0.320 1.00 0.56 H new ATOM 1588 N PRO A 99 -12.005 -10.891 -0.067 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.249 -11.474 0.433 1.00 0.70 C ATOM 1590 C PRO A 99 -13.793 -10.726 1.653 1.00 0.77 C ATOM 1591 O PRO A 99 -13.220 -9.726 2.092 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.848 -12.901 0.805 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.392 -12.819 1.102 1.00 0.82 C ATOM 1594 CD PRO A 99 -10.842 -11.759 0.192 1.00 0.63 C ATOM 0 HA PRO A 99 -14.050 -11.425 -0.305 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -13.409 -13.257 1.669 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -13.047 -13.594 -0.012 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -11.221 -12.562 2.148 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -10.903 -13.777 0.925 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.027 -11.209 0.663 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.447 -12.187 -0.730 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.877 -11.246 2.219 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.537 -10.630 3.368 1.00 0.65 C ATOM 1604 C ARG A 100 -14.595 -10.411 4.557 1.00 0.61 C ATOM 1605 O ARG A 100 -14.810 -9.502 5.356 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.737 -11.472 3.807 1.00 0.83 C ATOM 1607 CG ARG A 100 -16.378 -12.886 4.235 1.00 1.54 C ATOM 1608 CD ARG A 100 -17.612 -13.657 4.666 1.00 2.05 C ATOM 1609 NE ARG A 100 -17.295 -15.018 5.097 1.00 2.97 N ATOM 1610 CZ ARG A 100 -17.728 -16.118 4.483 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -18.481 -16.026 3.391 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -17.403 -17.316 4.959 1.00 4.87 N ATOM 0 H ARG A 100 -15.323 -12.105 1.896 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.872 -9.646 3.040 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -17.237 -10.969 4.635 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.452 -11.523 2.986 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -15.890 -13.406 3.410 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -15.663 -12.850 5.057 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.103 -13.126 5.481 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -18.320 -13.696 3.838 1.00 2.05 H new ATOM 0 HE ARG A 100 -16.704 -15.132 5.921 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -18.730 -15.110 3.019 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -18.810 -16.872 2.925 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -16.822 -17.393 5.794 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -17.734 -18.159 4.489 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.559 -11.228 4.675 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.625 -11.089 5.787 1.00 0.66 C ATOM 1628 C ASP A 101 -11.598 -9.989 5.532 1.00 0.59 C ATOM 1629 O ASP A 101 -11.352 -9.148 6.394 1.00 0.70 O ATOM 1630 CB ASP A 101 -11.910 -12.413 6.056 1.00 0.84 C ATOM 1631 CG ASP A 101 -11.156 -12.404 7.369 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -11.788 -12.161 8.423 1.00 2.35 O ATOM 1633 OD2 ASP A 101 -9.933 -12.657 7.357 1.00 2.58 O ATOM 0 H ASP A 101 -13.344 -11.985 4.026 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.208 -10.809 6.664 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.640 -13.222 6.065 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -11.215 -12.620 5.242 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.022 -9.975 4.339 1.00 0.55 N ATOM 1639 CA LEU A 102 -10.002 -8.986 4.003 1.00 0.57 C ATOM 1640 C LEU A 102 -10.594 -7.595 3.772 1.00 0.54 C ATOM 1641 O LEU A 102 -9.928 -6.590 4.023 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.211 -9.429 2.771 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.419 -10.731 2.927 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.442 -10.901 1.775 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.684 -10.763 4.260 1.00 0.85 C ATOM 0 H LEU A 102 -11.240 -10.632 3.590 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.331 -8.918 4.860 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -9.904 -9.544 1.938 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.517 -8.633 2.501 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.124 -11.562 2.909 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -6.888 -11.831 1.902 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -7.991 -10.931 0.834 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -6.746 -10.063 1.762 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.129 -11.697 4.347 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -6.991 -9.923 4.314 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.405 -10.692 5.075 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.843 -7.535 3.312 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.506 -6.253 3.054 1.00 0.54 C ATOM 1659 C LYS A 103 -12.570 -5.399 4.323 1.00 0.52 C ATOM 1660 O LYS A 103 -12.569 -4.168 4.256 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.919 -6.473 2.500 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.923 -6.922 3.544 1.00 0.95 C ATOM 1663 CD LYS A 103 -16.347 -6.859 3.024 1.00 1.22 C ATOM 1664 CE LYS A 103 -17.344 -7.213 4.111 1.00 1.66 C ATOM 1665 NZ LYS A 103 -18.741 -7.176 3.616 1.00 2.36 N ATOM 0 H LYS A 103 -12.416 -8.354 3.110 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.915 -5.721 2.309 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -14.270 -5.546 2.047 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.876 -7.219 1.706 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.694 -7.942 3.853 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.832 -6.293 4.429 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -16.556 -5.857 2.648 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -16.461 -7.545 2.185 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -17.122 -8.208 4.496 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -17.236 -6.517 4.943 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -19.390 -7.424 4.390 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -18.962 -6.220 3.272 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -18.852 -7.858 2.839 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.604 -6.060 5.479 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.668 -5.369 6.764 1.00 0.56 C ATOM 1681 C LYS A 104 -11.407 -4.551 6.995 1.00 0.55 C ATOM 1682 O LYS A 104 -11.470 -3.359 7.300 1.00 0.63 O ATOM 1683 CB LYS A 104 -12.842 -6.376 7.898 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.235 -6.973 7.984 1.00 1.14 C ATOM 1685 CD LYS A 104 -14.297 -8.057 9.047 1.00 1.34 C ATOM 1686 CE LYS A 104 -13.726 -9.369 8.535 1.00 1.98 C ATOM 1687 NZ LYS A 104 -13.457 -10.342 9.627 1.00 2.57 N ATOM 0 H LYS A 104 -12.588 -7.077 5.551 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.526 -4.697 6.747 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -12.120 -7.182 7.769 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -12.608 -5.887 8.844 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -14.957 -6.190 8.215 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -14.516 -7.390 7.017 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -13.742 -7.736 9.929 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -15.331 -8.205 9.358 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -14.423 -9.811 7.823 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -12.801 -9.171 7.994 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -12.740 -11.027 9.313 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -13.108 -9.835 10.465 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -14.335 -10.845 9.868 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.260 -5.197 6.830 1.00 0.55 N ATOM 1702 CA LYS A 105 -8.980 -4.535 7.014 1.00 0.60 C ATOM 1703 C LYS A 105 -8.759 -3.505 5.910 1.00 0.52 C ATOM 1704 O LYS A 105 -8.171 -2.449 6.144 1.00 0.55 O ATOM 1705 CB LYS A 105 -7.847 -5.566 7.036 1.00 0.70 C ATOM 1706 CG LYS A 105 -7.810 -6.386 8.318 1.00 0.88 C ATOM 1707 CD LYS A 105 -6.941 -7.624 8.175 1.00 1.26 C ATOM 1708 CE LYS A 105 -6.530 -8.178 9.533 1.00 1.76 C ATOM 1709 NZ LYS A 105 -7.704 -8.517 10.382 1.00 2.44 N ATOM 0 H LYS A 105 -10.192 -6.181 6.569 1.00 0.55 H new ATOM 0 HA LYS A 105 -8.984 -4.015 7.972 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -7.959 -6.238 6.185 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -6.894 -5.052 6.913 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -7.431 -5.769 9.133 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -8.823 -6.683 8.588 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -7.483 -8.388 7.618 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.050 -7.380 7.596 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -5.918 -9.069 9.390 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -5.910 -7.445 10.050 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -7.382 -9.014 11.237 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -8.199 -7.644 10.654 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -8.352 -9.131 9.849 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.267 -3.816 4.720 1.00 0.51 N ATOM 1724 CA LEU A 106 -9.149 -2.930 3.568 1.00 0.52 C ATOM 1725 C LEU A 106 -9.883 -1.617 3.822 1.00 0.45 C ATOM 1726 O LEU A 106 -9.337 -0.540 3.605 1.00 0.46 O ATOM 1727 CB LEU A 106 -9.709 -3.613 2.315 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.926 -2.700 1.103 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -8.601 -2.356 0.440 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -10.867 -3.359 0.106 1.00 1.04 C ATOM 0 H LEU A 106 -9.768 -4.683 4.529 1.00 0.51 H new ATOM 0 HA LEU A 106 -8.093 -2.711 3.409 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -9.030 -4.415 2.026 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -10.661 -4.078 2.572 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.381 -1.773 1.450 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -8.781 -1.707 -0.417 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -7.959 -1.842 1.155 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -8.113 -3.272 0.106 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -11.011 -2.699 -0.749 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -10.437 -4.302 -0.232 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -11.828 -3.549 0.584 1.00 1.04 H new ATOM 1742 N SER A 107 -11.117 -1.708 4.294 1.00 0.45 N ATOM 1743 CA SER A 107 -11.902 -0.515 4.570 1.00 0.46 C ATOM 1744 C SER A 107 -11.296 0.277 5.724 1.00 0.47 C ATOM 1745 O SER A 107 -11.350 1.507 5.739 1.00 0.51 O ATOM 1746 CB SER A 107 -13.357 -0.880 4.877 1.00 0.54 C ATOM 1747 OG SER A 107 -13.442 -2.065 5.653 1.00 1.15 O ATOM 0 H SER A 107 -11.593 -2.588 4.493 1.00 0.45 H new ATOM 0 HA SER A 107 -11.887 0.112 3.678 1.00 0.46 H new ATOM 0 HB2 SER A 107 -13.835 -0.059 5.411 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.904 -1.014 3.944 1.00 0.54 H new ATOM 0 HG SER A 107 -13.449 -2.845 5.060 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.707 -0.437 6.680 1.00 0.49 N ATOM 1754 CA ARG A 108 -10.088 0.192 7.840 1.00 0.55 C ATOM 1755 C ARG A 108 -8.903 1.062 7.437 1.00 0.54 C ATOM 1756 O ARG A 108 -8.840 2.235 7.804 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.632 -0.858 8.856 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.677 -1.176 9.911 1.00 1.10 C ATOM 1759 CD ARG A 108 -10.072 -1.900 11.099 1.00 1.49 C ATOM 1760 NE ARG A 108 -11.037 -2.045 12.185 1.00 2.15 N ATOM 1761 CZ ARG A 108 -10.707 -2.272 13.454 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -9.436 -2.441 13.803 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.656 -2.348 14.376 1.00 3.60 N ATOM 0 H ARG A 108 -10.646 -1.455 6.672 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.844 0.828 8.301 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -9.371 -1.775 8.327 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.726 -0.506 9.349 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -11.147 -0.252 10.248 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -11.463 -1.791 9.472 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -9.723 -2.884 10.787 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -9.201 -1.351 11.456 1.00 1.49 H new ATOM 0 HE ARG A 108 -12.028 -1.967 11.956 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.703 -2.397 13.095 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -9.194 -2.614 14.779 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -12.634 -2.233 14.112 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -11.408 -2.522 15.350 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.972 0.490 6.678 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.792 1.231 6.247 1.00 0.60 C ATOM 1779 C VAL A 109 -7.185 2.434 5.387 1.00 0.57 C ATOM 1780 O VAL A 109 -6.643 3.526 5.557 1.00 0.61 O ATOM 1781 CB VAL A 109 -5.771 0.331 5.499 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -6.409 -0.383 4.322 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -4.570 1.143 5.041 1.00 1.25 C ATOM 0 H VAL A 109 -8.011 -0.476 6.352 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.300 1.594 7.149 1.00 0.60 H new ATOM 0 HB VAL A 109 -5.431 -0.429 6.203 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -5.663 -1.003 3.824 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -7.225 -1.012 4.677 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -6.798 0.352 3.618 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -3.868 0.492 4.520 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -4.901 1.934 4.367 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -4.079 1.586 5.907 1.00 1.25 H new ATOM 1793 N VAL A 110 -8.143 2.239 4.484 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.608 3.321 3.620 1.00 0.59 C ATOM 1795 C VAL A 110 -9.176 4.458 4.461 1.00 0.54 C ATOM 1796 O VAL A 110 -8.887 5.635 4.219 1.00 0.54 O ATOM 1797 CB VAL A 110 -9.685 2.833 2.620 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.360 4.005 1.920 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -9.075 1.891 1.592 1.00 1.06 C ATOM 0 H VAL A 110 -8.611 1.346 4.332 1.00 0.54 H new ATOM 0 HA VAL A 110 -7.749 3.676 3.050 1.00 0.59 H new ATOM 0 HB VAL A 110 -10.443 2.293 3.188 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -11.111 3.630 1.225 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -10.839 4.645 2.661 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -9.614 4.581 1.372 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -9.848 1.559 0.899 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -8.292 2.412 1.041 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -8.647 1.026 2.099 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.967 4.091 5.462 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.584 5.054 6.363 1.00 0.59 C ATOM 1811 C ASN A 111 -9.519 5.871 7.091 1.00 0.57 C ATOM 1812 O ASN A 111 -9.591 7.096 7.138 1.00 0.60 O ATOM 1813 CB ASN A 111 -11.488 4.325 7.366 1.00 0.68 C ATOM 1814 CG ASN A 111 -11.718 5.114 8.642 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -11.108 4.833 9.673 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -12.603 6.095 8.581 1.00 1.74 N ATOM 0 H ASN A 111 -10.198 3.120 5.671 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.193 5.743 5.777 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -12.449 4.118 6.896 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -11.041 3.363 7.616 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -12.803 6.654 9.411 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -13.085 6.293 7.704 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.518 5.187 7.626 1.00 0.57 N ATOM 1824 CA ILE A 112 -7.441 5.846 8.352 1.00 0.61 C ATOM 1825 C ILE A 112 -6.645 6.776 7.434 1.00 0.57 C ATOM 1826 O ILE A 112 -6.349 7.915 7.797 1.00 0.62 O ATOM 1827 CB ILE A 112 -6.491 4.812 8.998 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -7.256 3.954 10.009 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -5.311 5.505 9.669 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -6.514 2.701 10.421 1.00 1.21 C ATOM 0 H ILE A 112 -8.429 4.172 7.571 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.900 6.442 9.141 1.00 0.61 H new ATOM 0 HB ILE A 112 -6.100 4.165 8.213 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -7.465 4.552 10.896 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -8.218 3.673 9.581 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.656 4.757 10.117 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.754 6.077 8.926 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.677 6.178 10.445 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -7.115 2.142 11.138 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -6.329 2.083 9.543 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -5.564 2.975 10.879 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.327 6.299 6.236 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.554 7.082 5.272 1.00 0.52 C ATOM 1844 C LEU A 113 -6.261 8.380 4.893 1.00 0.48 C ATOM 1845 O LEU A 113 -5.634 9.441 4.832 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.270 6.259 4.010 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.368 5.043 4.217 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.176 4.299 2.907 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.025 5.462 4.797 1.00 1.27 C ATOM 0 H LEU A 113 -6.592 5.371 5.906 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.611 7.341 5.754 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.219 5.921 3.595 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -4.810 6.910 3.266 1.00 0.56 H new ATOM 0 HG LEU A 113 -4.851 4.373 4.928 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -3.531 3.435 3.070 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -5.144 3.964 2.534 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -3.715 4.963 2.176 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.398 4.581 4.937 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.533 6.153 4.113 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.181 5.952 5.758 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.562 8.305 4.645 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.322 9.491 4.263 1.00 0.50 C ATOM 1863 C LYS A 114 -8.577 10.404 5.463 1.00 0.52 C ATOM 1864 O LYS A 114 -8.558 11.628 5.329 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.646 9.102 3.592 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.629 8.392 4.510 1.00 0.69 C ATOM 1867 CD LYS A 114 -11.983 9.086 4.532 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.678 8.992 3.186 1.00 1.33 C ATOM 1869 NZ LYS A 114 -13.953 9.750 3.164 1.00 1.69 N ATOM 0 H LYS A 114 -8.110 7.446 4.700 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.720 10.046 3.543 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.119 10.002 3.199 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.432 8.457 2.740 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -10.754 7.361 4.180 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.222 8.356 5.521 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -12.612 8.635 5.300 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -11.852 10.134 4.803 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.016 9.374 2.409 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.874 7.946 2.952 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.309 9.802 2.188 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.654 9.268 3.763 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -13.791 10.712 3.525 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.786 9.811 6.636 1.00 0.54 N ATOM 1884 CA GLU A 115 -9.050 10.584 7.844 1.00 0.61 C ATOM 1885 C GLU A 115 -7.799 11.314 8.318 1.00 0.61 C ATOM 1886 O GLU A 115 -7.889 12.350 8.977 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.599 9.690 8.949 1.00 0.68 C ATOM 1888 CG GLU A 115 -11.100 9.491 8.857 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.718 9.108 10.180 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.246 9.607 11.224 1.00 2.20 O ATOM 1891 OE2 GLU A 115 -12.685 8.319 10.183 1.00 1.99 O ATOM 0 H GLU A 115 -8.777 8.800 6.774 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.803 11.333 7.600 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -9.105 8.719 8.903 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.354 10.126 9.917 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.563 10.410 8.497 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.315 8.716 8.122 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.634 10.768 7.994 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.375 11.403 8.370 1.00 0.62 C ATOM 1900 C ARG A 116 -4.923 12.344 7.259 1.00 0.58 C ATOM 1901 O ARG A 116 -3.918 13.048 7.391 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.282 10.359 8.634 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.525 9.487 9.859 1.00 0.80 C ATOM 1904 CD ARG A 116 -3.231 9.234 10.624 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.140 7.861 11.119 1.00 1.74 N ATOM 1906 CZ ARG A 116 -3.657 7.441 12.276 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -4.326 8.281 13.056 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -3.504 6.177 12.645 1.00 3.23 N ATOM 0 H ARG A 116 -6.533 9.895 7.476 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.540 11.965 9.289 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -4.192 9.716 7.758 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.328 10.872 8.752 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.249 9.971 10.515 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -4.960 8.536 9.551 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -2.381 9.441 9.974 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -3.166 9.926 11.464 1.00 1.19 H new ATOM 0 HE ARG A 116 -2.649 7.179 10.542 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -4.447 9.253 12.773 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -4.719 7.954 13.939 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -2.993 5.529 12.046 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -3.898 5.852 13.528 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.689 12.339 6.167 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.412 13.158 4.989 1.00 0.52 C ATOM 1924 C ASN A 117 -4.010 12.872 4.469 1.00 0.50 C ATOM 1925 O ASN A 117 -3.178 13.770 4.336 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.584 14.652 5.291 1.00 0.63 C ATOM 1927 CG ASN A 117 -5.831 15.476 4.038 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -4.896 15.925 3.371 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -7.096 15.699 3.717 1.00 1.74 N ATOM 0 H ASN A 117 -6.525 11.762 6.076 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.135 12.895 4.217 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -6.418 14.786 5.980 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.691 15.022 5.795 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -7.323 16.258 2.895 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -7.844 15.312 4.292 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.752 11.601 4.205 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.458 11.168 3.705 1.00 0.48 C ATOM 1938 C ILE A 118 -2.289 11.562 2.241 1.00 0.47 C ATOM 1939 O ILE A 118 -1.254 12.102 1.842 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.290 9.638 3.859 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.273 9.243 5.341 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -1.024 9.159 3.165 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.179 9.915 6.144 1.00 0.61 C ATOM 0 H ILE A 118 -4.427 10.847 4.330 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.689 11.664 4.297 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.143 9.154 3.383 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.238 9.490 5.783 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.154 8.162 5.417 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.928 8.080 3.287 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -1.077 9.401 2.103 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.158 9.653 3.606 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.234 9.584 7.181 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.207 9.649 5.729 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.308 10.996 6.101 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.319 11.312 1.452 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.284 11.633 0.034 1.00 0.47 C ATOM 1957 C PHE A 119 -4.027 12.933 -0.243 1.00 0.49 C ATOM 1958 O PHE A 119 -4.690 13.481 0.640 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.898 10.496 -0.785 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.268 9.155 -0.538 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.934 8.934 -0.836 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -4.013 8.114 -0.010 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -1.354 7.701 -0.613 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -3.440 6.878 0.215 1.00 1.26 C ATOM 1965 CZ PHE A 119 -2.108 6.671 -0.087 1.00 0.44 C ATOM 0 H PHE A 119 -4.191 10.888 1.768 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.242 11.759 -0.260 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.962 10.433 -0.559 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -3.811 10.737 -1.844 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.340 9.736 -1.248 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -5.055 8.271 0.229 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -0.312 7.543 -0.850 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -4.032 6.074 0.627 1.00 1.26 H new ATOM 0 HZ PHE A 119 -1.657 5.705 0.088 1.00 0.44 H new ATOM 1975 N SER A 120 -3.913 13.415 -1.472 1.00 0.51 N ATOM 1976 CA SER A 120 -4.566 14.645 -1.886 1.00 0.55 C ATOM 1977 C SER A 120 -6.090 14.488 -1.895 1.00 0.50 C ATOM 1978 O SER A 120 -6.607 13.368 -1.902 1.00 0.48 O ATOM 1979 CB SER A 120 -4.068 15.029 -3.275 1.00 0.63 C ATOM 1980 OG SER A 120 -2.978 14.204 -3.661 1.00 1.30 O ATOM 0 H SER A 120 -3.367 12.965 -2.207 1.00 0.51 H new ATOM 0 HA SER A 120 -4.319 15.432 -1.173 1.00 0.55 H new ATOM 0 HB2 SER A 120 -4.878 14.932 -3.998 1.00 0.63 H new ATOM 0 HB3 SER A 120 -3.760 16.074 -3.281 1.00 0.63 H new ATOM 0 HG SER A 120 -2.672 14.463 -4.555 1.00 1.30 H new ATOM 1986 N LYS A 121 -6.794 15.615 -1.914 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.258 15.629 -1.914 1.00 0.56 C ATOM 1988 C LYS A 121 -8.830 14.809 -3.068 1.00 0.53 C ATOM 1989 O LYS A 121 -9.771 14.039 -2.891 1.00 0.52 O ATOM 1990 CB LYS A 121 -8.767 17.070 -2.012 1.00 0.70 C ATOM 1991 CG LYS A 121 -8.477 17.908 -0.775 1.00 1.23 C ATOM 1992 CD LYS A 121 -9.535 17.704 0.300 1.00 1.78 C ATOM 1993 CE LYS A 121 -10.608 18.787 0.251 1.00 2.37 C ATOM 1994 NZ LYS A 121 -11.475 18.666 -0.950 1.00 2.85 N ATOM 0 H LYS A 121 -6.371 16.543 -1.930 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.592 15.179 -0.979 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -8.311 17.549 -2.879 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -9.843 17.055 -2.185 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -7.497 17.644 -0.377 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -8.435 18.962 -1.050 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -9.999 16.726 0.172 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -9.061 17.706 1.282 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -11.223 18.727 1.149 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -10.132 19.768 0.256 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -12.269 19.334 -0.874 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -10.920 18.884 -1.802 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -11.844 17.696 -1.016 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.240 14.968 -4.241 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.691 14.256 -5.431 1.00 0.67 C ATOM 2010 C GLN A 122 -8.403 12.757 -5.335 1.00 0.60 C ATOM 2011 O GLN A 122 -9.059 11.952 -5.990 1.00 0.73 O ATOM 2012 CB GLN A 122 -8.027 14.841 -6.683 1.00 0.80 C ATOM 2013 CG GLN A 122 -6.516 14.977 -6.567 1.00 1.48 C ATOM 2014 CD GLN A 122 -5.770 14.294 -7.698 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -4.646 13.824 -7.517 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.380 14.240 -8.871 1.00 2.69 N ATOM 0 H GLN A 122 -7.444 15.586 -4.398 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.771 14.384 -5.503 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -8.261 14.207 -7.538 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -8.457 15.822 -6.887 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -6.252 16.034 -6.552 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -6.191 14.554 -5.617 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.311 14.641 -8.980 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -5.919 13.797 -9.666 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.432 12.383 -4.511 1.00 0.51 N ATOM 2026 CA VAL A 123 -7.071 10.978 -4.359 1.00 0.53 C ATOM 2027 C VAL A 123 -7.958 10.288 -3.331 1.00 0.48 C ATOM 2028 O VAL A 123 -8.516 9.225 -3.602 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.595 10.807 -3.951 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.236 9.333 -3.837 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -4.681 11.506 -4.947 1.00 1.28 C ATOM 0 H VAL A 123 -6.884 13.027 -3.941 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.220 10.512 -5.333 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.455 11.268 -2.974 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.190 9.235 -3.548 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -5.867 8.862 -3.083 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.394 8.845 -4.798 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -3.643 11.374 -4.642 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -4.826 11.076 -5.938 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -4.919 12.569 -4.975 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.107 10.902 -2.161 1.00 0.48 N ATOM 2042 CA VAL A 124 -8.927 10.324 -1.097 1.00 0.49 C ATOM 2043 C VAL A 124 -10.378 10.171 -1.541 1.00 0.47 C ATOM 2044 O VAL A 124 -11.076 9.249 -1.115 1.00 0.50 O ATOM 2045 CB VAL A 124 -8.862 11.158 0.206 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -7.453 11.144 0.777 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -9.334 12.587 -0.025 1.00 1.11 C ATOM 0 H VAL A 124 -7.674 11.795 -1.925 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.514 9.337 -0.887 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.536 10.700 0.930 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -7.426 11.735 1.692 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -7.160 10.118 0.999 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -6.761 11.569 0.050 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -9.276 13.145 0.910 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -8.699 13.063 -0.772 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -10.365 12.577 -0.378 1.00 1.11 H new ATOM 2057 N ASN A 125 -10.818 11.064 -2.421 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.183 11.028 -2.929 1.00 0.50 C ATOM 2059 C ASN A 125 -12.320 9.999 -4.043 1.00 0.49 C ATOM 2060 O ASN A 125 -13.391 9.430 -4.249 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.606 12.407 -3.433 1.00 0.58 C ATOM 2062 CG ASN A 125 -13.084 13.315 -2.317 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -12.711 14.486 -2.256 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -13.925 12.797 -1.434 1.00 1.74 N ATOM 0 H ASN A 125 -10.248 11.822 -2.797 1.00 0.47 H new ATOM 0 HA ASN A 125 -12.839 10.738 -2.108 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -11.765 12.877 -3.943 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -13.402 12.292 -4.169 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -14.284 13.373 -0.673 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -14.213 11.822 -1.515 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.228 9.757 -4.757 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.234 8.790 -5.846 1.00 0.48 C ATOM 2073 C ASP A 126 -11.276 7.373 -5.290 1.00 0.45 C ATOM 2074 O ASP A 126 -11.988 6.510 -5.805 1.00 0.48 O ATOM 2075 CB ASP A 126 -10.004 8.963 -6.737 1.00 0.52 C ATOM 2076 CG ASP A 126 -10.168 8.268 -8.071 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -10.700 8.897 -9.008 1.00 1.43 O ATOM 2078 OD2 ASP A 126 -9.784 7.092 -8.188 1.00 1.44 O ATOM 0 H ASP A 126 -10.330 10.215 -4.602 1.00 0.47 H new ATOM 0 HA ASP A 126 -12.124 8.965 -6.450 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -9.822 10.025 -6.902 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.127 8.565 -6.226 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.522 7.145 -4.222 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.465 5.836 -3.582 1.00 0.42 C ATOM 2085 C ILE A 127 -11.839 5.401 -3.071 1.00 0.43 C ATOM 2086 O ILE A 127 -12.321 4.316 -3.407 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.464 5.833 -2.402 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.052 6.150 -2.900 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.484 4.489 -1.690 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.063 6.418 -1.786 1.00 0.46 C ATOM 0 H ILE A 127 -9.938 7.854 -3.778 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.129 5.130 -4.342 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.764 6.604 -1.693 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.692 5.315 -3.501 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.093 7.020 -3.555 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.774 4.505 -0.863 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.485 4.296 -1.305 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.207 3.702 -2.391 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.084 6.635 -2.213 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.400 7.272 -1.198 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -6.992 5.540 -1.144 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.479 6.264 -2.290 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.784 5.955 -1.713 1.00 0.51 C ATOM 2104 C GLU A 128 -14.859 5.757 -2.785 1.00 0.52 C ATOM 2105 O GLU A 128 -15.758 4.933 -2.617 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.211 7.051 -0.729 1.00 0.62 C ATOM 2107 CG GLU A 128 -14.257 8.442 -1.336 1.00 1.04 C ATOM 2108 CD GLU A 128 -14.922 9.458 -0.432 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -14.995 9.220 0.791 1.00 2.05 O ATOM 2110 OE2 GLU A 128 -15.373 10.505 -0.942 1.00 1.75 O ATOM 0 H GLU A 128 -12.116 7.184 -2.041 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.681 5.012 -1.176 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -15.197 6.806 -0.333 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.521 7.057 0.115 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.241 8.770 -1.557 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -14.793 8.401 -2.284 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.767 6.494 -3.889 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.760 6.365 -4.947 1.00 0.64 C ATOM 2119 C ARG A 129 -15.552 5.073 -5.737 1.00 0.59 C ATOM 2120 O ARG A 129 -16.517 4.448 -6.174 1.00 0.62 O ATOM 2121 CB ARG A 129 -15.749 7.588 -5.878 1.00 0.77 C ATOM 2122 CG ARG A 129 -14.618 7.605 -6.893 1.00 1.07 C ATOM 2123 CD ARG A 129 -14.748 8.779 -7.851 1.00 1.55 C ATOM 2124 NE ARG A 129 -13.608 8.881 -8.767 1.00 2.26 N ATOM 2125 CZ ARG A 129 -13.714 9.093 -10.078 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -14.906 9.184 -10.653 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -12.617 9.199 -10.817 1.00 3.98 N ATOM 0 H ARG A 129 -14.029 7.174 -4.071 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.742 6.319 -4.475 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -16.698 7.629 -6.412 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.686 8.490 -5.269 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -13.662 7.662 -6.373 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -14.619 6.672 -7.457 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -15.666 8.673 -8.428 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -14.835 9.703 -7.279 1.00 1.55 H new ATOM 0 HE ARG A 129 -12.672 8.783 -8.375 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -15.752 9.092 -10.091 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -14.977 9.346 -11.657 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -11.698 9.118 -10.381 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -12.692 9.361 -11.821 1.00 3.98 H new ATOM 2141 N SER A 130 -14.297 4.658 -5.892 1.00 0.56 N ATOM 2142 CA SER A 130 -13.986 3.436 -6.626 1.00 0.57 C ATOM 2143 C SER A 130 -14.526 2.213 -5.892 1.00 0.54 C ATOM 2144 O SER A 130 -15.139 1.331 -6.495 1.00 0.60 O ATOM 2145 CB SER A 130 -12.475 3.309 -6.832 1.00 0.58 C ATOM 2146 OG SER A 130 -11.963 4.444 -7.503 1.00 0.70 O ATOM 0 H SER A 130 -13.483 5.148 -5.521 1.00 0.56 H new ATOM 0 HA SER A 130 -14.469 3.490 -7.602 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.980 3.197 -5.867 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.256 2.410 -7.409 1.00 0.58 H new ATOM 0 HG SER A 130 -12.098 5.241 -6.948 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.318 2.179 -4.581 1.00 0.49 N ATOM 2153 CA LEU A 131 -14.790 1.069 -3.760 1.00 0.50 C ATOM 2154 C LEU A 131 -16.313 0.974 -3.816 1.00 0.52 C ATOM 2155 O LEU A 131 -16.883 -0.119 -3.836 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.323 1.241 -2.309 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.035 0.495 -1.936 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -11.854 1.008 -2.747 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -12.759 0.633 -0.448 1.00 1.33 C ATOM 0 H LEU A 131 -13.826 2.907 -4.063 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.369 0.145 -4.155 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.175 2.304 -2.117 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -15.121 0.906 -1.647 1.00 0.52 H new ATOM 0 HG LEU A 131 -13.172 -0.561 -2.171 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -10.954 0.463 -2.463 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.049 0.858 -3.809 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -11.712 2.071 -2.550 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -11.842 0.099 -0.197 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -12.646 1.687 -0.195 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -13.591 0.212 0.117 1.00 1.33 H new ATOM 2171 N ALA A 132 -16.962 2.130 -3.860 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.416 2.191 -3.924 1.00 0.62 C ATOM 2173 C ALA A 132 -18.917 1.764 -5.299 1.00 0.64 C ATOM 2174 O ALA A 132 -19.904 1.038 -5.407 1.00 0.69 O ATOM 2175 CB ALA A 132 -18.898 3.595 -3.594 1.00 0.68 C ATOM 0 H ALA A 132 -16.503 3.041 -3.852 1.00 0.56 H new ATOM 0 HA ALA A 132 -18.822 1.499 -3.186 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -19.986 3.628 -3.645 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.574 3.864 -2.589 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.480 4.301 -4.311 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.223 2.206 -6.344 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.595 1.870 -7.714 1.00 0.73 C ATOM 2183 C ALA A 133 -18.547 0.365 -7.951 1.00 0.73 C ATOM 2184 O ALA A 133 -19.352 -0.182 -8.709 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.688 2.590 -8.701 1.00 0.84 C ATOM 0 H ALA A 133 -17.397 2.800 -6.267 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.622 2.200 -7.871 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -17.978 2.329 -9.719 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.781 3.667 -8.562 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.654 2.290 -8.530 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.606 -0.303 -7.293 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.456 -1.744 -7.428 1.00 0.74 C ATOM 2193 C ALA A 134 -18.616 -2.484 -6.765 1.00 0.84 C ATOM 2194 O ALA A 134 -18.865 -3.652 -7.063 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.129 -2.191 -6.839 1.00 0.72 C ATOM 0 H ALA A 134 -16.935 0.133 -6.660 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.469 -1.990 -8.490 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.029 -3.271 -6.946 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.312 -1.697 -7.365 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.092 -1.926 -5.782 1.00 0.72 H new