USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 100 TYR OH : rot 180:sc= 0.691 USER MOD Set 1.2: A 114 ASN : amide:sc= 0.332 X(o=0.59,f=0.43!) USER MOD Set 1.3: A 117 HIS : no HD1:sc= -0.433 K(o=0.59,f=1.7) USER MOD Set 2.1: A 94 ASN : amide:sc= -2.36! C(o=-2.6!,f=-11!) USER MOD Set 2.2: A 96 THR OG1 : rot -90:sc= -0.275! USER MOD Set 3.1: A 66 GLN : amide:sc= 0.966 K(o=2,f=-5.7!) USER MOD Set 3.2: A 115 TYR OH : rot -12:sc= 1.04 USER MOD Set 4.1: A 48 THR OG1 : rot 61:sc= 0.598 USER MOD Set 4.2: A 62 THR OG1 : rot 140:sc= -1.79 USER MOD Set 4.3: A 73 GLN : amide:sc= -0.76 X(o=-2,f=-1.9) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.37) USER MOD Single : A 49 THR OG1 : rot -51:sc= 0.75 USER MOD Single : A 52 ASN : amide:sc= 0.848 K(o=0.85,f=-0.15) USER MOD Single : A 54 SER OG : rot 58:sc= 0.238 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0863 USER MOD Single : A 59 TYR OH : rot -147:sc= 0.787 USER MOD Single : A 61 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.034) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 69 THR OG1 : rot -170:sc= -0.0923 USER MOD Single : A 74 SER OG : rot -130:sc= -0.0885 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -4.41! C(o=-4.4!,f=-3.8!) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 0.891 (180deg=0.517) USER MOD Single : A 93 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 98 ASN : amide:sc= -0.281 K(o=-0.28,f=-8.6!) USER MOD Single : A 106 ASN : amide:sc= -0.56 K(o=-0.56,f=-0.039) USER MOD Single : A 108 THR OG1 : rot -170:sc= -1.5! USER MOD Single : A 111 SER OG : rot 67:sc= 1.31 USER MOD Single : A 116 SER OG : rot -36:sc= 0.0122 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -1.804 11.730 -6.101 1.00 0.00 N ATOM 2 CA TYR A 44 -3.028 11.083 -6.668 1.00 0.00 C ATOM 3 C TYR A 44 -2.896 9.560 -6.783 1.00 0.00 C ATOM 4 O TYR A 44 -3.900 8.855 -6.878 1.00 0.00 O ATOM 5 CB TYR A 44 -3.320 11.699 -8.042 1.00 0.00 C ATOM 6 CG TYR A 44 -4.763 12.112 -8.222 1.00 0.00 C ATOM 7 CD1 TYR A 44 -5.722 11.198 -8.641 1.00 0.00 C ATOM 8 CD2 TYR A 44 -5.169 13.418 -7.973 1.00 0.00 C ATOM 9 CE1 TYR A 44 -7.043 11.573 -8.806 1.00 0.00 C ATOM 10 CE2 TYR A 44 -6.488 13.800 -8.137 1.00 0.00 C ATOM 11 CZ TYR A 44 -7.419 12.874 -8.553 1.00 0.00 C ATOM 12 OH TYR A 44 -8.731 13.250 -8.715 1.00 0.00 O ATOM 0 HA TYR A 44 -3.855 11.268 -5.982 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.680 12.570 -8.184 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.057 10.980 -8.817 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.431 10.177 -8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.442 14.147 -7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.776 10.850 -9.131 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.787 14.819 -7.940 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.829 14.200 -8.494 1.00 0.00 H new ATOM 22 N CYS A 45 -1.662 9.062 -6.754 1.00 0.00 N ATOM 23 CA CYS A 45 -1.389 7.634 -6.837 1.00 0.00 C ATOM 24 C CYS A 45 -1.911 7.011 -8.141 1.00 0.00 C ATOM 25 O CYS A 45 -2.398 7.714 -9.028 1.00 0.00 O ATOM 26 CB CYS A 45 -1.988 6.932 -5.626 1.00 0.00 C ATOM 27 SG CYS A 45 -1.620 7.737 -4.034 1.00 0.00 S ATOM 0 H CYS A 45 -0.825 9.639 -6.672 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.307 7.500 -6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.069 6.877 -5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.618 5.907 -5.595 1.00 0.00 H new ATOM 32 N HIS A 46 -1.794 5.685 -8.251 1.00 0.00 N ATOM 33 CA HIS A 46 -2.242 4.962 -9.440 1.00 0.00 C ATOM 34 C HIS A 46 -3.768 4.791 -9.440 1.00 0.00 C ATOM 35 O HIS A 46 -4.464 5.339 -8.582 1.00 0.00 O ATOM 36 CB HIS A 46 -1.555 3.587 -9.539 1.00 0.00 C ATOM 37 CG HIS A 46 -0.796 3.155 -8.319 1.00 0.00 C ATOM 38 ND1 HIS A 46 -1.403 2.591 -7.218 1.00 0.00 N ATOM 39 CD2 HIS A 46 0.526 3.205 -8.034 1.00 0.00 C ATOM 40 CE1 HIS A 46 -0.486 2.311 -6.307 1.00 0.00 C ATOM 41 NE2 HIS A 46 0.694 2.674 -6.778 1.00 0.00 N ATOM 0 H HIS A 46 -1.391 5.090 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.961 5.554 -10.311 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.314 2.836 -9.758 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.869 3.603 -10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.305 3.591 -8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.670 1.862 -5.342 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.584 2.576 -6.289 1.00 0.00 H new ATOM 50 N ARG A 47 -4.284 4.030 -10.409 1.00 0.00 N ATOM 51 CA ARG A 47 -5.724 3.793 -10.518 1.00 0.00 C ATOM 52 C ARG A 47 -6.283 3.134 -9.257 1.00 0.00 C ATOM 53 O ARG A 47 -5.539 2.590 -8.434 1.00 0.00 O ATOM 54 CB ARG A 47 -6.043 2.927 -11.741 1.00 0.00 C ATOM 55 CG ARG A 47 -7.349 3.298 -12.434 1.00 0.00 C ATOM 56 CD ARG A 47 -7.112 3.829 -13.840 1.00 0.00 C ATOM 57 NE ARG A 47 -6.053 4.845 -13.874 1.00 0.00 N ATOM 58 CZ ARG A 47 -6.174 6.075 -13.385 1.00 0.00 C ATOM 59 NH1 ARG A 47 -7.319 6.482 -12.871 1.00 0.00 N ATOM 60 NH2 ARG A 47 -5.148 6.902 -13.425 1.00 0.00 N ATOM 0 H ARG A 47 -3.726 3.569 -11.128 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.202 4.765 -10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.226 3.011 -12.457 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.090 1.883 -11.433 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.997 2.423 -12.481 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.872 4.051 -11.845 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.843 3.003 -14.499 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.037 4.257 -14.226 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.163 4.590 -14.302 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.120 5.851 -12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.403 7.428 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.263 6.598 -13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.239 7.846 -13.050 1.00 0.00 H new ATOM 74 N THR A 48 -7.603 3.199 -9.117 1.00 0.00 N ATOM 75 CA THR A 48 -8.284 2.621 -7.957 1.00 0.00 C ATOM 76 C THR A 48 -9.652 2.033 -8.331 1.00 0.00 C ATOM 77 O THR A 48 -10.574 2.043 -7.516 1.00 0.00 O ATOM 78 CB THR A 48 -8.453 3.683 -6.853 1.00 0.00 C ATOM 79 OG1 THR A 48 -9.650 4.423 -7.027 1.00 0.00 O ATOM 80 CG2 THR A 48 -7.318 4.684 -6.796 1.00 0.00 C ATOM 0 H THR A 48 -8.225 3.646 -9.791 1.00 0.00 H new ATOM 0 HA THR A 48 -7.662 1.807 -7.586 1.00 0.00 H new ATOM 0 HB THR A 48 -8.470 3.111 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.419 3.818 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.505 5.400 -5.996 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.381 4.161 -6.604 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.250 5.212 -7.747 1.00 0.00 H new ATOM 88 N THR A 49 -9.779 1.523 -9.558 1.00 0.00 N ATOM 89 CA THR A 49 -11.042 0.931 -10.025 1.00 0.00 C ATOM 90 C THR A 49 -10.919 0.441 -11.471 1.00 0.00 C ATOM 91 O THR A 49 -11.465 1.050 -12.396 1.00 0.00 O ATOM 92 CB THR A 49 -12.197 1.942 -9.891 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.434 1.337 -10.219 1.00 0.00 O ATOM 94 CG2 THR A 49 -12.041 3.174 -10.760 1.00 0.00 C ATOM 0 H THR A 49 -9.027 1.506 -10.247 1.00 0.00 H new ATOM 0 HA THR A 49 -11.263 0.069 -9.395 1.00 0.00 H new ATOM 0 HB THR A 49 -12.172 2.258 -8.848 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.359 0.890 -11.088 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.894 3.836 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.123 3.696 -10.489 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.994 2.877 -11.808 1.00 0.00 H new ATOM 102 N ILE A 50 -10.193 -0.669 -11.657 1.00 0.00 N ATOM 103 CA ILE A 50 -9.983 -1.260 -12.980 1.00 0.00 C ATOM 104 C ILE A 50 -9.513 -0.206 -14.000 1.00 0.00 C ATOM 105 O ILE A 50 -9.054 0.873 -13.616 1.00 0.00 O ATOM 106 CB ILE A 50 -11.270 -1.988 -13.457 1.00 0.00 C ATOM 107 CG1 ILE A 50 -10.912 -3.246 -14.252 1.00 0.00 C ATOM 108 CG2 ILE A 50 -12.178 -1.075 -14.273 1.00 0.00 C ATOM 109 CD1 ILE A 50 -11.101 -4.528 -13.469 1.00 0.00 C ATOM 0 H ILE A 50 -9.739 -1.178 -10.899 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.187 -2.000 -12.902 1.00 0.00 H new ATOM 0 HB ILE A 50 -11.826 -2.281 -12.566 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.526 -3.285 -15.152 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.874 -3.178 -14.577 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.064 -1.627 -14.584 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.477 -0.222 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.642 -0.722 -15.154 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.829 -5.379 -14.093 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.466 -4.510 -12.583 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.144 -4.619 -13.166 1.00 0.00 H new ATOM 121 N GLY A 51 -9.612 -0.518 -15.293 1.00 0.00 N ATOM 122 CA GLY A 51 -9.186 0.424 -16.320 1.00 0.00 C ATOM 123 C GLY A 51 -9.849 1.785 -16.166 1.00 0.00 C ATOM 124 O GLY A 51 -9.167 2.806 -16.079 1.00 0.00 O ATOM 0 H GLY A 51 -9.978 -1.402 -15.647 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.103 0.542 -16.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.421 0.017 -17.303 1.00 0.00 H new ATOM 128 N ASN A 52 -11.182 1.791 -16.126 1.00 0.00 N ATOM 129 CA ASN A 52 -11.947 3.030 -15.972 1.00 0.00 C ATOM 130 C ASN A 52 -13.433 2.733 -15.729 1.00 0.00 C ATOM 131 O ASN A 52 -14.296 3.134 -16.516 1.00 0.00 O ATOM 132 CB ASN A 52 -11.777 3.917 -17.212 1.00 0.00 C ATOM 133 CG ASN A 52 -12.149 5.364 -16.945 1.00 0.00 C ATOM 134 OD1 ASN A 52 -11.282 6.219 -16.792 1.00 0.00 O ATOM 135 ND2 ASN A 52 -13.440 5.644 -16.885 1.00 0.00 N ATOM 0 H ASN A 52 -11.755 0.951 -16.198 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.561 3.562 -15.102 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.742 3.868 -17.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.397 3.529 -18.020 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -13.747 6.600 -16.706 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.129 4.904 -17.018 1.00 0.00 H new ATOM 142 N PHE A 53 -13.722 2.031 -14.633 1.00 0.00 N ATOM 143 CA PHE A 53 -15.099 1.680 -14.284 1.00 0.00 C ATOM 144 C PHE A 53 -15.178 1.026 -12.901 1.00 0.00 C ATOM 145 O PHE A 53 -14.189 0.481 -12.402 1.00 0.00 O ATOM 146 CB PHE A 53 -15.686 0.736 -15.342 1.00 0.00 C ATOM 147 CG PHE A 53 -17.166 0.514 -15.197 1.00 0.00 C ATOM 148 CD1 PHE A 53 -18.067 1.506 -15.547 1.00 0.00 C ATOM 149 CD2 PHE A 53 -17.653 -0.685 -14.703 1.00 0.00 C ATOM 150 CE1 PHE A 53 -19.426 1.305 -15.409 1.00 0.00 C ATOM 151 CE2 PHE A 53 -19.011 -0.892 -14.563 1.00 0.00 C ATOM 152 CZ PHE A 53 -19.900 0.105 -14.917 1.00 0.00 C ATOM 0 H PHE A 53 -13.022 1.694 -13.972 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.681 2.601 -14.255 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.484 1.143 -16.333 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -15.175 -0.225 -15.282 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.703 2.447 -15.932 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -16.962 -1.467 -14.424 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.118 2.086 -15.686 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.378 -1.832 -14.177 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.963 -0.054 -14.809 1.00 0.00 H new ATOM 162 N SER A 54 -16.363 1.073 -12.295 1.00 0.00 N ATOM 163 CA SER A 54 -16.592 0.481 -10.982 1.00 0.00 C ATOM 164 C SER A 54 -17.211 -0.909 -11.136 1.00 0.00 C ATOM 165 O SER A 54 -18.300 -1.179 -10.627 1.00 0.00 O ATOM 166 CB SER A 54 -17.505 1.382 -10.144 1.00 0.00 C ATOM 167 OG SER A 54 -18.759 1.570 -10.781 1.00 0.00 O ATOM 0 H SER A 54 -17.186 1.520 -12.699 1.00 0.00 H new ATOM 0 HA SER A 54 -15.636 0.385 -10.467 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.656 0.938 -9.160 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.024 2.348 -9.988 1.00 0.00 H new ATOM 0 HG SER A 54 -19.182 0.699 -10.935 1.00 0.00 H new ATOM 173 N GLY A 55 -16.509 -1.770 -11.871 1.00 0.00 N ATOM 174 CA GLY A 55 -16.981 -3.128 -12.130 1.00 0.00 C ATOM 175 C GLY A 55 -17.420 -3.882 -10.882 1.00 0.00 C ATOM 176 O GLY A 55 -18.612 -4.130 -10.700 1.00 0.00 O ATOM 0 H GLY A 55 -15.609 -1.550 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.817 -3.084 -12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.186 -3.690 -12.620 1.00 0.00 H new ATOM 180 N PRO A 56 -16.472 -4.287 -10.010 1.00 0.00 N ATOM 181 CA PRO A 56 -16.799 -5.036 -8.794 1.00 0.00 C ATOM 182 C PRO A 56 -17.615 -4.224 -7.783 1.00 0.00 C ATOM 183 O PRO A 56 -17.799 -3.010 -7.930 1.00 0.00 O ATOM 184 CB PRO A 56 -15.437 -5.429 -8.210 1.00 0.00 C ATOM 185 CG PRO A 56 -14.424 -4.557 -8.875 1.00 0.00 C ATOM 186 CD PRO A 56 -15.027 -4.062 -10.164 1.00 0.00 C ATOM 0 HA PRO A 56 -17.431 -5.893 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.422 -5.286 -7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.224 -6.482 -8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.157 -3.720 -8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.508 -5.114 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.805 -3.007 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.631 -4.606 -11.021 1.00 0.00 H new ATOM 194 N TYR A 57 -18.108 -4.922 -6.760 1.00 0.00 N ATOM 195 CA TYR A 57 -18.920 -4.310 -5.705 1.00 0.00 C ATOM 196 C TYR A 57 -18.049 -3.745 -4.573 1.00 0.00 C ATOM 197 O TYR A 57 -16.842 -3.599 -4.732 1.00 0.00 O ATOM 198 CB TYR A 57 -19.913 -5.344 -5.153 1.00 0.00 C ATOM 199 CG TYR A 57 -21.325 -4.821 -5.009 1.00 0.00 C ATOM 200 CD1 TYR A 57 -22.052 -4.413 -6.122 1.00 0.00 C ATOM 201 CD2 TYR A 57 -21.933 -4.736 -3.763 1.00 0.00 C ATOM 202 CE1 TYR A 57 -23.342 -3.934 -5.995 1.00 0.00 C ATOM 203 CE2 TYR A 57 -23.224 -4.257 -3.629 1.00 0.00 C ATOM 204 CZ TYR A 57 -23.921 -3.858 -4.747 1.00 0.00 C ATOM 205 OH TYR A 57 -25.204 -3.381 -4.618 1.00 0.00 O ATOM 0 H TYR A 57 -17.957 -5.923 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 57 -19.469 -3.475 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.923 -6.212 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.562 -5.687 -4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -21.601 -4.471 -7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.389 -5.049 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -23.893 -3.621 -6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -23.682 -4.196 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 57 -25.464 -3.393 -3.673 1.00 0.00 H new ATOM 215 N THR A 58 -18.688 -3.425 -3.439 1.00 0.00 N ATOM 216 CA THR A 58 -18.017 -2.863 -2.253 1.00 0.00 C ATOM 217 C THR A 58 -16.531 -3.234 -2.155 1.00 0.00 C ATOM 218 O THR A 58 -16.177 -4.412 -2.068 1.00 0.00 O ATOM 219 CB THR A 58 -18.736 -3.323 -0.980 1.00 0.00 C ATOM 220 OG1 THR A 58 -20.063 -3.735 -1.265 1.00 0.00 O ATOM 221 CG2 THR A 58 -18.816 -2.255 0.086 1.00 0.00 C ATOM 0 H THR A 58 -19.693 -3.549 -3.316 1.00 0.00 H new ATOM 0 HA THR A 58 -18.069 -1.779 -2.358 1.00 0.00 H new ATOM 0 HB THR A 58 -18.136 -4.151 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.500 -4.025 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.337 -2.650 0.958 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.809 -1.950 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.359 -1.393 -0.302 1.00 0.00 H new ATOM 229 N TYR A 59 -15.669 -2.213 -2.139 1.00 0.00 N ATOM 230 CA TYR A 59 -14.219 -2.416 -2.023 1.00 0.00 C ATOM 231 C TYR A 59 -13.637 -1.592 -0.869 1.00 0.00 C ATOM 232 O TYR A 59 -14.372 -0.958 -0.109 1.00 0.00 O ATOM 233 CB TYR A 59 -13.486 -2.046 -3.330 1.00 0.00 C ATOM 234 CG TYR A 59 -14.380 -1.668 -4.491 1.00 0.00 C ATOM 235 CD1 TYR A 59 -15.113 -0.487 -4.484 1.00 0.00 C ATOM 236 CD2 TYR A 59 -14.486 -2.499 -5.594 1.00 0.00 C ATOM 237 CE1 TYR A 59 -15.931 -0.151 -5.547 1.00 0.00 C ATOM 238 CE2 TYR A 59 -15.300 -2.167 -6.659 1.00 0.00 C ATOM 239 CZ TYR A 59 -16.018 -0.997 -6.629 1.00 0.00 C ATOM 240 OH TYR A 59 -16.835 -0.680 -7.687 1.00 0.00 O ATOM 0 H TYR A 59 -15.950 -1.235 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 59 -14.065 -3.476 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -12.813 -1.213 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.866 -2.891 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -15.043 0.178 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.924 -3.421 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.497 0.768 -5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -15.372 -2.825 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 59 -17.205 -1.502 -8.072 1.00 0.00 H new ATOM 250 N CYS A 60 -12.308 -1.600 -0.756 1.00 0.00 N ATOM 251 CA CYS A 60 -11.600 -0.847 0.286 1.00 0.00 C ATOM 252 C CYS A 60 -11.527 0.643 -0.086 1.00 0.00 C ATOM 253 O CYS A 60 -12.267 1.096 -0.956 1.00 0.00 O ATOM 254 CB CYS A 60 -10.196 -1.436 0.469 1.00 0.00 C ATOM 255 SG CYS A 60 -10.168 -2.989 1.415 1.00 0.00 S ATOM 0 H CYS A 60 -11.693 -2.124 -1.379 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.143 -0.928 1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.755 -1.611 -0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.568 -0.703 0.974 1.00 0.00 H new ATOM 260 N ASN A 61 -10.638 1.404 0.553 1.00 0.00 N ATOM 261 CA ASN A 61 -10.503 2.825 0.232 1.00 0.00 C ATOM 262 C ASN A 61 -9.055 3.188 -0.057 1.00 0.00 C ATOM 263 O ASN A 61 -8.173 3.013 0.782 1.00 0.00 O ATOM 264 CB ASN A 61 -11.043 3.708 1.350 1.00 0.00 C ATOM 265 CG ASN A 61 -11.057 5.178 0.969 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.079 5.708 0.543 1.00 0.00 O ATOM 267 ND2 ASN A 61 -9.919 5.841 1.109 1.00 0.00 N ATOM 0 H ASN A 61 -10.011 1.068 1.284 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.097 3.005 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.055 3.391 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.433 3.572 2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.870 6.829 0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.091 5.364 1.467 1.00 0.00 H new ATOM 274 N THR A 62 -8.831 3.709 -1.252 1.00 0.00 N ATOM 275 CA THR A 62 -7.497 4.118 -1.688 1.00 0.00 C ATOM 276 C THR A 62 -6.794 4.948 -0.619 1.00 0.00 C ATOM 277 O THR A 62 -7.205 6.070 -0.317 1.00 0.00 O ATOM 278 CB THR A 62 -7.583 4.899 -3.000 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.352 4.180 -3.948 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.233 5.171 -3.625 1.00 0.00 C ATOM 0 H THR A 62 -9.561 3.862 -1.947 1.00 0.00 H new ATOM 0 HA THR A 62 -6.906 3.217 -1.852 1.00 0.00 H new ATOM 0 HB THR A 62 -8.045 5.853 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.924 4.802 -4.445 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.367 5.728 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.624 5.755 -2.935 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.734 4.226 -3.839 1.00 0.00 H new ATOM 288 N THR A 63 -5.744 4.372 -0.033 1.00 0.00 N ATOM 289 CA THR A 63 -4.989 5.042 1.024 1.00 0.00 C ATOM 290 C THR A 63 -3.477 4.975 0.795 1.00 0.00 C ATOM 291 O THR A 63 -2.988 4.240 -0.065 1.00 0.00 O ATOM 292 CB THR A 63 -5.326 4.423 2.383 1.00 0.00 C ATOM 293 OG1 THR A 63 -4.722 5.162 3.428 1.00 0.00 O ATOM 294 CG2 THR A 63 -4.866 2.987 2.523 1.00 0.00 C ATOM 0 H THR A 63 -5.398 3.443 -0.273 1.00 0.00 H new ATOM 0 HA THR A 63 -5.280 6.092 1.007 1.00 0.00 H new ATOM 0 HB THR A 63 -6.414 4.448 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.948 4.755 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.138 2.612 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.345 2.375 1.758 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.784 2.938 2.402 1.00 0.00 H new ATOM 302 N LEU A 64 -2.749 5.749 1.593 1.00 0.00 N ATOM 303 CA LEU A 64 -1.292 5.809 1.530 1.00 0.00 C ATOM 304 C LEU A 64 -0.718 5.781 2.947 1.00 0.00 C ATOM 305 O LEU A 64 -1.267 6.406 3.857 1.00 0.00 O ATOM 306 CB LEU A 64 -0.866 7.077 0.781 1.00 0.00 C ATOM 307 CG LEU A 64 0.641 7.320 0.644 1.00 0.00 C ATOM 308 CD1 LEU A 64 1.234 7.816 1.952 1.00 0.00 C ATOM 309 CD2 LEU A 64 1.350 6.061 0.179 1.00 0.00 C ATOM 0 H LEU A 64 -3.155 6.356 2.306 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.904 4.946 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.298 7.043 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.305 7.936 1.289 1.00 0.00 H new ATOM 0 HG LEU A 64 0.788 8.094 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.304 7.980 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.754 8.752 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.070 7.072 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.418 6.257 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.188 5.263 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.954 5.757 -0.790 1.00 0.00 H new ATOM 321 N ASP A 65 0.368 5.038 3.140 1.00 0.00 N ATOM 322 CA ASP A 65 0.981 4.922 4.466 1.00 0.00 C ATOM 323 C ASP A 65 2.512 5.045 4.422 1.00 0.00 C ATOM 324 O ASP A 65 3.211 4.138 3.959 1.00 0.00 O ATOM 325 CB ASP A 65 0.576 3.583 5.102 1.00 0.00 C ATOM 326 CG ASP A 65 0.672 3.576 6.622 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.331 4.471 7.189 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.096 2.648 7.247 1.00 0.00 O ATOM 0 H ASP A 65 0.840 4.511 2.405 1.00 0.00 H new ATOM 0 HA ASP A 65 0.615 5.751 5.071 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.447 3.346 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.212 2.793 4.702 1.00 0.00 H new ATOM 333 N GLN A 66 3.018 6.168 4.944 1.00 0.00 N ATOM 334 CA GLN A 66 4.461 6.438 5.016 1.00 0.00 C ATOM 335 C GLN A 66 5.148 6.425 3.644 1.00 0.00 C ATOM 336 O GLN A 66 5.389 7.479 3.052 1.00 0.00 O ATOM 337 CB GLN A 66 5.142 5.424 5.943 1.00 0.00 C ATOM 338 CG GLN A 66 4.885 5.664 7.422 1.00 0.00 C ATOM 339 CD GLN A 66 5.599 4.659 8.309 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.340 3.801 7.829 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.384 4.760 9.610 1.00 0.00 N ATOM 0 H GLN A 66 2.440 6.916 5.329 1.00 0.00 H new ATOM 0 HA GLN A 66 4.567 7.446 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.798 4.423 5.683 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.217 5.449 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.210 6.671 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.813 5.615 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.763 5.485 9.970 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.839 4.113 10.254 1.00 0.00 H new ATOM 350 N ILE A 67 5.487 5.229 3.159 1.00 0.00 N ATOM 351 CA ILE A 67 6.174 5.072 1.877 1.00 0.00 C ATOM 352 C ILE A 67 5.271 5.422 0.692 1.00 0.00 C ATOM 353 O ILE A 67 4.043 5.388 0.805 1.00 0.00 O ATOM 354 CB ILE A 67 6.707 3.632 1.708 1.00 0.00 C ATOM 355 CG1 ILE A 67 5.571 2.615 1.831 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.790 3.345 2.738 1.00 0.00 C ATOM 357 CD1 ILE A 67 5.863 1.294 1.151 1.00 0.00 C ATOM 0 H ILE A 67 5.295 4.350 3.639 1.00 0.00 H new ATOM 0 HA ILE A 67 7.011 5.770 1.886 1.00 0.00 H new ATOM 0 HB ILE A 67 7.139 3.541 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.370 2.434 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.664 3.042 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.156 2.327 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.613 4.047 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.377 3.456 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.014 0.623 1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.035 1.462 0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.751 0.844 1.595 1.00 0.00 H new ATOM 369 N GLY A 68 5.887 5.748 -0.447 1.00 0.00 N ATOM 370 CA GLY A 68 5.125 6.095 -1.644 1.00 0.00 C ATOM 371 C GLY A 68 4.386 4.911 -2.252 1.00 0.00 C ATOM 372 O GLY A 68 4.502 4.648 -3.448 1.00 0.00 O ATOM 0 H GLY A 68 6.900 5.778 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.405 6.874 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.802 6.513 -2.389 1.00 0.00 H new ATOM 376 N THR A 69 3.612 4.206 -1.428 1.00 0.00 N ATOM 377 CA THR A 69 2.838 3.052 -1.884 1.00 0.00 C ATOM 378 C THR A 69 1.363 3.236 -1.543 1.00 0.00 C ATOM 379 O THR A 69 0.957 3.079 -0.389 1.00 0.00 O ATOM 380 CB THR A 69 3.370 1.758 -1.254 1.00 0.00 C ATOM 381 OG1 THR A 69 4.565 1.348 -1.892 1.00 0.00 O ATOM 382 CG2 THR A 69 2.401 0.599 -1.340 1.00 0.00 C ATOM 0 H THR A 69 3.504 4.415 -0.436 1.00 0.00 H new ATOM 0 HA THR A 69 2.942 2.976 -2.966 1.00 0.00 H new ATOM 0 HB THR A 69 3.533 2.001 -0.204 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.805 0.447 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.844 -0.281 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.478 0.857 -0.821 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.182 0.385 -2.386 1.00 0.00 H new ATOM 390 N CYS A 70 0.568 3.575 -2.553 1.00 0.00 N ATOM 391 CA CYS A 70 -0.863 3.786 -2.358 1.00 0.00 C ATOM 392 C CYS A 70 -1.632 2.473 -2.455 1.00 0.00 C ATOM 393 O CYS A 70 -1.379 1.655 -3.342 1.00 0.00 O ATOM 394 CB CYS A 70 -1.404 4.782 -3.385 1.00 0.00 C ATOM 395 SG CYS A 70 -2.074 6.313 -2.660 1.00 0.00 S ATOM 0 H CYS A 70 0.889 3.709 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.004 4.194 -1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.604 5.042 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -2.187 4.297 -3.968 1.00 0.00 H new ATOM 400 N TRP A 71 -2.581 2.293 -1.549 1.00 0.00 N ATOM 401 CA TRP A 71 -3.415 1.099 -1.521 1.00 0.00 C ATOM 402 C TRP A 71 -4.854 1.474 -1.882 1.00 0.00 C ATOM 403 O TRP A 71 -5.615 1.930 -1.025 1.00 0.00 O ATOM 404 CB TRP A 71 -3.353 0.443 -0.136 1.00 0.00 C ATOM 405 CG TRP A 71 -1.971 0.420 0.448 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.375 1.405 1.185 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.008 -0.636 0.333 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.102 1.024 1.536 1.00 0.00 N ATOM 409 CE2 TRP A 71 0.146 -0.223 1.026 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.010 -1.891 -0.287 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.283 -1.018 1.115 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.122 -2.679 -0.196 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.254 -2.241 0.500 1.00 0.00 C ATOM 0 H TRP A 71 -2.795 2.967 -0.814 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.045 0.380 -2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.018 0.978 0.542 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.727 -0.578 -0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.836 2.344 1.452 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.552 1.580 2.087 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.879 -2.237 -0.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.159 -0.683 1.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.133 -3.649 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.123 -2.881 0.553 1.00 0.00 H new ATOM 424 N PRO A 72 -5.229 1.317 -3.170 1.00 0.00 N ATOM 425 CA PRO A 72 -6.571 1.668 -3.666 1.00 0.00 C ATOM 426 C PRO A 72 -7.700 0.885 -2.993 1.00 0.00 C ATOM 427 O PRO A 72 -7.496 0.191 -1.990 1.00 0.00 O ATOM 428 CB PRO A 72 -6.510 1.324 -5.159 1.00 0.00 C ATOM 429 CG PRO A 72 -5.060 1.275 -5.493 1.00 0.00 C ATOM 430 CD PRO A 72 -4.364 0.809 -4.249 1.00 0.00 C ATOM 0 HA PRO A 72 -6.799 2.713 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.993 0.368 -5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.026 2.075 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.874 0.593 -6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.697 2.256 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.278 -0.277 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.353 1.211 -4.178 1.00 0.00 H new ATOM 438 N GLN A 73 -8.898 0.996 -3.565 1.00 0.00 N ATOM 439 CA GLN A 73 -10.061 0.295 -3.040 1.00 0.00 C ATOM 440 C GLN A 73 -10.042 -1.172 -3.484 1.00 0.00 C ATOM 441 O GLN A 73 -10.732 -1.565 -4.422 1.00 0.00 O ATOM 442 CB GLN A 73 -11.357 0.997 -3.473 1.00 0.00 C ATOM 443 CG GLN A 73 -11.568 1.085 -4.977 1.00 0.00 C ATOM 444 CD GLN A 73 -12.439 2.262 -5.378 1.00 0.00 C ATOM 445 OE1 GLN A 73 -13.502 2.089 -5.968 1.00 0.00 O ATOM 446 NE2 GLN A 73 -11.995 3.471 -5.059 1.00 0.00 N ATOM 0 H GLN A 73 -9.085 1.565 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.023 0.317 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.203 0.469 -3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.361 2.006 -3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.600 1.169 -5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.027 0.162 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.107 3.575 -4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.542 4.296 -5.304 1.00 0.00 H new ATOM 455 N SER A 74 -9.217 -1.969 -2.805 1.00 0.00 N ATOM 456 CA SER A 74 -9.073 -3.394 -3.121 1.00 0.00 C ATOM 457 C SER A 74 -10.370 -4.170 -2.863 1.00 0.00 C ATOM 458 O SER A 74 -11.102 -4.481 -3.800 1.00 0.00 O ATOM 459 CB SER A 74 -7.919 -3.998 -2.310 1.00 0.00 C ATOM 460 OG SER A 74 -7.221 -4.979 -3.058 1.00 0.00 O ATOM 0 H SER A 74 -8.635 -1.652 -2.029 1.00 0.00 H new ATOM 0 HA SER A 74 -8.849 -3.478 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.230 -3.208 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.309 -4.445 -1.396 1.00 0.00 H new ATOM 0 HG SER A 74 -7.129 -5.795 -2.522 1.00 0.00 H new ATOM 466 N ALA A 75 -10.643 -4.486 -1.594 1.00 0.00 N ATOM 467 CA ALA A 75 -11.846 -5.233 -1.219 1.00 0.00 C ATOM 468 C ALA A 75 -11.842 -5.574 0.270 1.00 0.00 C ATOM 469 O ALA A 75 -10.788 -5.862 0.844 1.00 0.00 O ATOM 470 CB ALA A 75 -11.963 -6.509 -2.045 1.00 0.00 C ATOM 0 H ALA A 75 -10.045 -4.235 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.708 -4.598 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.863 -7.051 -1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.021 -6.253 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.089 -7.137 -1.871 1.00 0.00 H new ATOM 476 N PRO A 76 -13.023 -5.550 0.919 1.00 0.00 N ATOM 477 CA PRO A 76 -13.153 -5.865 2.351 1.00 0.00 C ATOM 478 C PRO A 76 -12.646 -7.271 2.688 1.00 0.00 C ATOM 479 O PRO A 76 -13.245 -8.271 2.286 1.00 0.00 O ATOM 480 CB PRO A 76 -14.663 -5.755 2.611 1.00 0.00 C ATOM 481 CG PRO A 76 -15.301 -5.843 1.267 1.00 0.00 C ATOM 482 CD PRO A 76 -14.325 -5.227 0.310 1.00 0.00 C ATOM 0 HA PRO A 76 -12.556 -5.195 2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.009 -6.556 3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.910 -4.814 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.509 -6.879 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.253 -5.312 1.251 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.419 -5.648 -0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.473 -4.151 0.218 1.00 0.00 H new ATOM 490 N GLY A 77 -11.536 -7.337 3.425 1.00 0.00 N ATOM 491 CA GLY A 77 -10.960 -8.623 3.799 1.00 0.00 C ATOM 492 C GLY A 77 -10.044 -9.175 2.723 1.00 0.00 C ATOM 493 O GLY A 77 -10.339 -10.206 2.119 1.00 0.00 O ATOM 0 H GLY A 77 -11.025 -6.524 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.401 -8.512 4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.762 -9.336 3.992 1.00 0.00 H new ATOM 497 N ALA A 78 -8.931 -8.486 2.477 1.00 0.00 N ATOM 498 CA ALA A 78 -7.976 -8.909 1.462 1.00 0.00 C ATOM 499 C ALA A 78 -6.597 -8.298 1.704 1.00 0.00 C ATOM 500 O ALA A 78 -6.479 -7.171 2.186 1.00 0.00 O ATOM 501 CB ALA A 78 -8.487 -8.532 0.076 1.00 0.00 C ATOM 0 H ALA A 78 -8.671 -7.631 2.969 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.874 -9.992 1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.767 -8.852 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.443 -9.023 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.617 -7.451 0.018 1.00 0.00 H new ATOM 507 N LEU A 79 -5.565 -9.051 1.350 1.00 0.00 N ATOM 508 CA LEU A 79 -4.180 -8.604 1.502 1.00 0.00 C ATOM 509 C LEU A 79 -3.604 -8.189 0.145 1.00 0.00 C ATOM 510 O LEU A 79 -3.891 -8.814 -0.877 1.00 0.00 O ATOM 511 CB LEU A 79 -3.332 -9.720 2.124 1.00 0.00 C ATOM 512 CG LEU A 79 -1.984 -9.278 2.701 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.728 -9.963 4.033 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.861 -9.585 1.723 1.00 0.00 C ATOM 0 H LEU A 79 -5.659 -9.985 0.951 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.160 -7.739 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.910 -10.193 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.151 -10.481 1.365 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.015 -8.201 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.766 -9.638 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.518 -9.699 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.716 -11.044 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.090 -9.265 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.829 -10.657 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.037 -9.053 0.788 1.00 0.00 H new ATOM 526 N VAL A 80 -2.800 -7.128 0.136 1.00 0.00 N ATOM 527 CA VAL A 80 -2.203 -6.637 -1.109 1.00 0.00 C ATOM 528 C VAL A 80 -0.710 -6.350 -0.949 1.00 0.00 C ATOM 529 O VAL A 80 -0.269 -5.802 0.064 1.00 0.00 O ATOM 530 CB VAL A 80 -2.928 -5.371 -1.614 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.151 -4.703 -2.737 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.335 -5.719 -2.076 1.00 0.00 C ATOM 0 H VAL A 80 -2.547 -6.594 0.968 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.320 -7.430 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.993 -4.665 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.687 -3.815 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.163 -4.417 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.045 -5.398 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.835 -4.817 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.282 -6.446 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.897 -6.143 -1.244 1.00 0.00 H new ATOM 542 N GLU A 81 0.062 -6.732 -1.967 1.00 0.00 N ATOM 543 CA GLU A 81 1.510 -6.537 -1.961 1.00 0.00 C ATOM 544 C GLU A 81 1.944 -5.440 -2.938 1.00 0.00 C ATOM 545 O GLU A 81 1.280 -5.184 -3.952 1.00 0.00 O ATOM 546 CB GLU A 81 2.216 -7.849 -2.308 1.00 0.00 C ATOM 547 CG GLU A 81 2.252 -8.841 -1.156 1.00 0.00 C ATOM 548 CD GLU A 81 2.713 -10.220 -1.582 1.00 0.00 C ATOM 549 OE1 GLU A 81 1.933 -10.924 -2.252 1.00 0.00 O ATOM 550 OE2 GLU A 81 3.855 -10.597 -1.241 1.00 0.00 O ATOM 0 H GLU A 81 -0.295 -7.181 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 81 1.794 -6.220 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.713 -8.310 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.237 -7.631 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.917 -8.464 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.258 -8.915 -0.716 1.00 0.00 H new ATOM 557 N ARG A 82 3.067 -4.798 -2.618 1.00 0.00 N ATOM 558 CA ARG A 82 3.623 -3.730 -3.446 1.00 0.00 C ATOM 559 C ARG A 82 5.155 -3.714 -3.358 1.00 0.00 C ATOM 560 O ARG A 82 5.729 -4.185 -2.372 1.00 0.00 O ATOM 561 CB ARG A 82 3.049 -2.376 -3.010 1.00 0.00 C ATOM 562 CG ARG A 82 1.603 -2.161 -3.438 1.00 0.00 C ATOM 563 CD ARG A 82 1.432 -2.356 -4.935 1.00 0.00 C ATOM 564 NE ARG A 82 0.068 -2.069 -5.380 1.00 0.00 N ATOM 565 CZ ARG A 82 -0.875 -2.992 -5.571 1.00 0.00 C ATOM 566 NH1 ARG A 82 -0.662 -4.255 -5.248 1.00 0.00 N ATOM 567 NH2 ARG A 82 -2.048 -2.637 -6.058 1.00 0.00 N ATOM 0 H ARG A 82 3.614 -5.003 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 82 3.345 -3.915 -4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.114 -2.296 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.665 -1.579 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.957 -2.857 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.286 -1.155 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.129 -1.707 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.689 -3.382 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.179 -1.095 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.233 -4.535 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.393 -4.950 -5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.231 -1.660 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.773 -3.340 -6.206 1.00 0.00 H new ATOM 581 N PRO A 83 5.840 -3.186 -4.392 1.00 0.00 N ATOM 582 CA PRO A 83 7.312 -3.126 -4.426 1.00 0.00 C ATOM 583 C PRO A 83 7.906 -2.276 -3.299 1.00 0.00 C ATOM 584 O PRO A 83 7.258 -1.363 -2.784 1.00 0.00 O ATOM 585 CB PRO A 83 7.618 -2.493 -5.791 1.00 0.00 C ATOM 586 CG PRO A 83 6.361 -1.792 -6.179 1.00 0.00 C ATOM 587 CD PRO A 83 5.241 -2.613 -5.611 1.00 0.00 C ATOM 0 HA PRO A 83 7.751 -4.114 -4.287 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.454 -1.797 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 83 7.891 -3.251 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.341 -0.777 -5.782 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.277 -1.713 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.367 -2.002 -5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.916 -3.388 -6.305 1.00 0.00 H new ATOM 595 N CYS A 84 9.147 -2.585 -2.920 1.00 0.00 N ATOM 596 CA CYS A 84 9.830 -1.851 -1.852 1.00 0.00 C ATOM 597 C CYS A 84 10.016 -0.375 -2.219 1.00 0.00 C ATOM 598 O CYS A 84 10.207 -0.033 -3.388 1.00 0.00 O ATOM 599 CB CYS A 84 11.191 -2.486 -1.541 1.00 0.00 C ATOM 600 SG CYS A 84 11.469 -2.808 0.233 1.00 0.00 S ATOM 0 H CYS A 84 9.699 -3.336 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 84 9.201 -1.907 -0.964 1.00 0.00 H new ATOM 0 HB2 CYS A 84 11.276 -3.425 -2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.980 -1.830 -1.909 1.00 0.00 H new ATOM 605 N PRO A 85 9.961 0.520 -1.216 1.00 0.00 N ATOM 606 CA PRO A 85 10.121 1.965 -1.428 1.00 0.00 C ATOM 607 C PRO A 85 11.552 2.356 -1.804 1.00 0.00 C ATOM 608 O PRO A 85 12.369 2.659 -0.933 1.00 0.00 O ATOM 609 CB PRO A 85 9.740 2.562 -0.071 1.00 0.00 C ATOM 610 CG PRO A 85 10.046 1.485 0.909 1.00 0.00 C ATOM 611 CD PRO A 85 9.737 0.195 0.205 1.00 0.00 C ATOM 0 HA PRO A 85 9.511 2.322 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 85 10.313 3.465 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.686 2.838 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.091 1.522 1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.443 1.593 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.388 -0.612 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.712 -0.127 0.387 1.00 0.00 H new ATOM 619 N GLU A 86 11.848 2.352 -3.105 1.00 0.00 N ATOM 620 CA GLU A 86 13.180 2.715 -3.591 1.00 0.00 C ATOM 621 C GLU A 86 13.596 4.083 -3.044 1.00 0.00 C ATOM 622 O GLU A 86 13.035 5.108 -3.433 1.00 0.00 O ATOM 623 CB GLU A 86 13.211 2.726 -5.124 1.00 0.00 C ATOM 624 CG GLU A 86 14.472 2.106 -5.714 1.00 0.00 C ATOM 625 CD GLU A 86 15.186 3.023 -6.688 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.610 3.332 -7.751 1.00 0.00 O ATOM 627 OE2 GLU A 86 16.331 3.428 -6.392 1.00 0.00 O ATOM 0 H GLU A 86 11.185 2.102 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 86 13.888 1.967 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.341 2.187 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.125 3.755 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.154 1.844 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.210 1.179 -6.223 1.00 0.00 H new ATOM 634 N TYR A 87 14.566 4.074 -2.123 1.00 0.00 N ATOM 635 CA TYR A 87 15.069 5.295 -1.476 1.00 0.00 C ATOM 636 C TYR A 87 14.320 5.561 -0.167 1.00 0.00 C ATOM 637 O TYR A 87 13.711 6.617 0.022 1.00 0.00 O ATOM 638 CB TYR A 87 14.975 6.513 -2.409 1.00 0.00 C ATOM 639 CG TYR A 87 16.036 7.566 -2.155 1.00 0.00 C ATOM 640 CD1 TYR A 87 16.127 8.211 -0.926 1.00 0.00 C ATOM 641 CD2 TYR A 87 16.947 7.913 -3.144 1.00 0.00 C ATOM 642 CE1 TYR A 87 17.095 9.170 -0.694 1.00 0.00 C ATOM 643 CE2 TYR A 87 17.918 8.872 -2.918 1.00 0.00 C ATOM 644 CZ TYR A 87 17.987 9.496 -1.693 1.00 0.00 C ATOM 645 OH TYR A 87 18.950 10.449 -1.465 1.00 0.00 O ATOM 0 H TYR A 87 15.026 3.221 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 87 16.123 5.135 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.054 6.174 -3.442 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.991 6.969 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 87 15.430 7.958 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 87 16.897 7.426 -4.106 1.00 0.00 H new ATOM 0 HE1 TYR A 87 17.152 9.662 0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 87 18.618 9.130 -3.699 1.00 0.00 H new ATOM 0 HH TYR A 87 19.498 10.560 -2.270 1.00 0.00 H new ATOM 655 N PHE A 88 14.391 4.595 0.746 1.00 0.00 N ATOM 656 CA PHE A 88 13.747 4.710 2.052 1.00 0.00 C ATOM 657 C PHE A 88 14.809 4.647 3.148 1.00 0.00 C ATOM 658 O PHE A 88 15.819 3.969 2.984 1.00 0.00 O ATOM 659 CB PHE A 88 12.686 3.613 2.233 1.00 0.00 C ATOM 660 CG PHE A 88 13.241 2.249 2.546 1.00 0.00 C ATOM 661 CD1 PHE A 88 13.842 1.486 1.558 1.00 0.00 C ATOM 662 CD2 PHE A 88 13.153 1.733 3.827 1.00 0.00 C ATOM 663 CE1 PHE A 88 14.348 0.232 1.844 1.00 0.00 C ATOM 664 CE2 PHE A 88 13.655 0.482 4.119 1.00 0.00 C ATOM 665 CZ PHE A 88 14.255 -0.270 3.127 1.00 0.00 C ATOM 0 H PHE A 88 14.892 3.718 0.603 1.00 0.00 H new ATOM 0 HA PHE A 88 13.234 5.669 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.010 3.909 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.090 3.548 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.916 1.875 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 88 12.686 2.316 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.815 -0.354 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.579 0.090 5.123 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.651 -1.249 3.355 1.00 0.00 H new ATOM 675 N ASN A 89 14.604 5.390 4.241 1.00 0.00 N ATOM 676 CA ASN A 89 15.583 5.440 5.342 1.00 0.00 C ATOM 677 C ASN A 89 16.978 5.846 4.837 1.00 0.00 C ATOM 678 O ASN A 89 17.983 5.634 5.519 1.00 0.00 O ATOM 679 CB ASN A 89 15.639 4.076 6.075 1.00 0.00 C ATOM 680 CG ASN A 89 16.542 3.032 5.432 1.00 0.00 C ATOM 681 OD1 ASN A 89 16.071 2.104 4.787 1.00 0.00 O ATOM 682 ND2 ASN A 89 17.842 3.157 5.637 1.00 0.00 N ATOM 0 H ASN A 89 13.774 5.964 4.390 1.00 0.00 H new ATOM 0 HA ASN A 89 15.256 6.203 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 89 15.976 4.245 7.098 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.628 3.672 6.135 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.488 2.467 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.199 3.943 6.180 1.00 0.00 H new ATOM 689 N GLY A 90 17.038 6.401 3.623 1.00 0.00 N ATOM 690 CA GLY A 90 18.312 6.765 3.031 1.00 0.00 C ATOM 691 C GLY A 90 18.854 5.624 2.179 1.00 0.00 C ATOM 692 O GLY A 90 19.854 5.778 1.483 1.00 0.00 O ATOM 0 H GLY A 90 16.224 6.603 3.042 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.192 7.658 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.027 7.011 3.816 1.00 0.00 H new ATOM 696 N ILE A 91 18.167 4.472 2.238 1.00 0.00 N ATOM 697 CA ILE A 91 18.544 3.287 1.484 1.00 0.00 C ATOM 698 C ILE A 91 17.774 3.224 0.162 1.00 0.00 C ATOM 699 O ILE A 91 16.567 2.954 0.124 1.00 0.00 O ATOM 700 CB ILE A 91 18.310 2.000 2.331 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.565 1.637 3.139 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.895 0.818 1.466 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.519 2.794 3.369 1.00 0.00 C ATOM 0 H ILE A 91 17.335 4.346 2.814 1.00 0.00 H new ATOM 0 HA ILE A 91 19.607 3.348 1.252 1.00 0.00 H new ATOM 0 HB ILE A 91 17.494 2.220 3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.257 1.238 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.098 0.840 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.742 -0.058 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.968 1.056 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.677 0.608 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 91 21.376 2.449 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.860 3.180 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.006 3.585 3.917 1.00 0.00 H new ATOM 715 N LYS A 92 18.492 3.495 -0.920 1.00 0.00 N ATOM 716 CA LYS A 92 17.926 3.488 -2.262 1.00 0.00 C ATOM 717 C LYS A 92 18.560 2.364 -3.083 1.00 0.00 C ATOM 718 O LYS A 92 19.362 2.603 -3.985 1.00 0.00 O ATOM 719 CB LYS A 92 18.169 4.858 -2.899 1.00 0.00 C ATOM 720 CG LYS A 92 17.983 4.899 -4.405 1.00 0.00 C ATOM 721 CD LYS A 92 19.288 5.251 -5.104 1.00 0.00 C ATOM 722 CE LYS A 92 19.602 4.284 -6.236 1.00 0.00 C ATOM 723 NZ LYS A 92 18.501 4.220 -7.243 1.00 0.00 N ATOM 0 H LYS A 92 19.485 3.726 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 92 16.852 3.304 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 92 17.492 5.581 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.184 5.179 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.626 3.931 -4.758 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.219 5.633 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 92 19.227 6.265 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.103 5.240 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.525 4.590 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.775 3.289 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.839 3.730 -8.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.694 3.701 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.203 5.184 -7.493 1.00 0.00 H new ATOM 737 N TYR A 93 18.224 1.129 -2.729 1.00 0.00 N ATOM 738 CA TYR A 93 18.786 -0.045 -3.401 1.00 0.00 C ATOM 739 C TYR A 93 18.284 -1.338 -2.761 1.00 0.00 C ATOM 740 O TYR A 93 17.668 -1.316 -1.696 1.00 0.00 O ATOM 741 CB TYR A 93 20.328 -0.011 -3.338 1.00 0.00 C ATOM 742 CG TYR A 93 20.892 0.847 -2.216 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.297 0.871 -0.958 1.00 0.00 C ATOM 744 CD2 TYR A 93 22.009 1.644 -2.425 1.00 0.00 C ATOM 745 CE1 TYR A 93 20.800 1.662 0.057 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.519 2.437 -1.414 1.00 0.00 C ATOM 747 CZ TYR A 93 21.911 2.441 -0.178 1.00 0.00 C ATOM 748 OH TYR A 93 22.423 3.221 0.825 1.00 0.00 O ATOM 0 H TYR A 93 17.566 0.911 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 93 18.461 -0.019 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.697 -1.030 -3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.710 0.359 -4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 93 19.426 0.260 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 93 22.487 1.645 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.326 1.669 1.027 1.00 0.00 H new ATOM 0 HE2 TYR A 93 23.390 3.050 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 93 23.207 3.707 0.494 1.00 0.00 H new ATOM 758 N ASN A 94 18.573 -2.463 -3.418 1.00 0.00 N ATOM 759 CA ASN A 94 18.180 -3.783 -2.924 1.00 0.00 C ATOM 760 C ASN A 94 16.686 -3.861 -2.595 1.00 0.00 C ATOM 761 O ASN A 94 16.290 -3.935 -1.427 1.00 0.00 O ATOM 762 CB ASN A 94 19.017 -4.142 -1.693 1.00 0.00 C ATOM 763 CG ASN A 94 18.927 -5.613 -1.318 1.00 0.00 C ATOM 764 OD1 ASN A 94 17.850 -6.214 -1.328 1.00 0.00 O ATOM 765 ND2 ASN A 94 20.065 -6.206 -0.982 1.00 0.00 N ATOM 0 H ASN A 94 19.083 -2.485 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 94 18.367 -4.504 -3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.059 -3.885 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.688 -3.537 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 94 20.068 -7.192 -0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 94 20.937 -5.676 -0.985 1.00 0.00 H new ATOM 772 N THR A 95 15.855 -3.875 -3.633 1.00 0.00 N ATOM 773 CA THR A 95 14.410 -3.978 -3.451 1.00 0.00 C ATOM 774 C THR A 95 13.976 -5.445 -3.505 1.00 0.00 C ATOM 775 O THR A 95 12.998 -5.798 -4.167 1.00 0.00 O ATOM 776 CB THR A 95 13.674 -3.160 -4.516 1.00 0.00 C ATOM 777 OG1 THR A 95 14.179 -3.445 -5.806 1.00 0.00 O ATOM 778 CG2 THR A 95 13.789 -1.668 -4.308 1.00 0.00 C ATOM 0 H THR A 95 16.156 -3.817 -4.606 1.00 0.00 H new ATOM 0 HA THR A 95 14.152 -3.573 -2.472 1.00 0.00 H new ATOM 0 HB THR A 95 12.627 -3.449 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.694 -2.914 -6.472 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.245 -1.148 -5.097 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.366 -1.402 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.839 -1.376 -4.338 1.00 0.00 H new ATOM 786 N THR A 96 14.720 -6.297 -2.795 1.00 0.00 N ATOM 787 CA THR A 96 14.437 -7.735 -2.744 1.00 0.00 C ATOM 788 C THR A 96 13.148 -8.027 -1.978 1.00 0.00 C ATOM 789 O THR A 96 12.507 -9.053 -2.198 1.00 0.00 O ATOM 790 CB THR A 96 15.605 -8.491 -2.097 1.00 0.00 C ATOM 791 OG1 THR A 96 16.064 -7.823 -0.926 1.00 0.00 O ATOM 792 CG2 THR A 96 16.793 -8.666 -3.019 1.00 0.00 C ATOM 0 H THR A 96 15.530 -6.013 -2.243 1.00 0.00 H new ATOM 0 HA THR A 96 14.309 -8.078 -3.771 1.00 0.00 H new ATOM 0 HB THR A 96 15.203 -9.475 -1.855 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.767 -7.185 -1.168 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.582 -9.208 -2.497 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.489 -9.228 -3.902 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.165 -7.688 -3.323 1.00 0.00 H new ATOM 800 N ARG A 97 12.772 -7.120 -1.078 1.00 0.00 N ATOM 801 CA ARG A 97 11.558 -7.283 -0.282 1.00 0.00 C ATOM 802 C ARG A 97 10.418 -6.430 -0.840 1.00 0.00 C ATOM 803 O ARG A 97 10.635 -5.552 -1.682 1.00 0.00 O ATOM 804 CB ARG A 97 11.830 -6.913 1.177 1.00 0.00 C ATOM 805 CG ARG A 97 12.840 -7.826 1.859 1.00 0.00 C ATOM 806 CD ARG A 97 14.260 -7.558 1.384 1.00 0.00 C ATOM 807 NE ARG A 97 15.218 -7.642 2.486 1.00 0.00 N ATOM 808 CZ ARG A 97 16.437 -8.155 2.388 1.00 0.00 C ATOM 809 NH1 ARG A 97 16.940 -8.490 1.215 1.00 0.00 N ATOM 810 NH2 ARG A 97 17.178 -8.283 3.467 1.00 0.00 N ATOM 0 H ARG A 97 13.291 -6.264 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 97 11.256 -8.329 -0.333 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.193 -5.886 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.892 -6.944 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 97 12.786 -7.685 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.581 -8.866 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.528 -8.278 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.312 -6.569 0.930 1.00 0.00 H new ATOM 0 HE ARG A 97 14.928 -7.280 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.390 -8.356 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.879 -8.883 1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.814 -7.988 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.116 -8.677 3.398 1.00 0.00 H new ATOM 824 N ASN A 98 9.204 -6.695 -0.369 1.00 0.00 N ATOM 825 CA ASN A 98 8.027 -5.960 -0.825 1.00 0.00 C ATOM 826 C ASN A 98 7.142 -5.513 0.347 1.00 0.00 C ATOM 827 O ASN A 98 7.454 -5.762 1.515 1.00 0.00 O ATOM 828 CB ASN A 98 7.227 -6.824 -1.808 1.00 0.00 C ATOM 829 CG ASN A 98 6.716 -8.109 -1.185 1.00 0.00 C ATOM 830 OD1 ASN A 98 7.309 -8.639 -0.249 1.00 0.00 O ATOM 831 ND2 ASN A 98 5.615 -8.620 -1.709 1.00 0.00 N ATOM 0 H ASN A 98 9.008 -7.413 0.328 1.00 0.00 H new ATOM 0 HA ASN A 98 8.367 -5.057 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.382 -6.248 -2.185 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.855 -7.067 -2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.227 -9.487 -1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.153 -8.148 -2.486 1.00 0.00 H new ATOM 838 N ALA A 99 6.049 -4.833 0.021 1.00 0.00 N ATOM 839 CA ALA A 99 5.117 -4.320 1.020 1.00 0.00 C ATOM 840 C ALA A 99 3.747 -5.006 0.931 1.00 0.00 C ATOM 841 O ALA A 99 3.000 -4.783 -0.023 1.00 0.00 O ATOM 842 CB ALA A 99 4.974 -2.818 0.827 1.00 0.00 C ATOM 0 H ALA A 99 5.784 -4.622 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 99 5.514 -4.536 2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.280 -2.420 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.947 -2.341 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.593 -2.614 -0.174 1.00 0.00 H new ATOM 848 N TYR A 100 3.414 -5.827 1.930 1.00 0.00 N ATOM 849 CA TYR A 100 2.118 -6.520 1.953 1.00 0.00 C ATOM 850 C TYR A 100 1.181 -5.886 2.983 1.00 0.00 C ATOM 851 O TYR A 100 1.446 -5.922 4.189 1.00 0.00 O ATOM 852 CB TYR A 100 2.267 -8.025 2.244 1.00 0.00 C ATOM 853 CG TYR A 100 3.656 -8.466 2.647 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.083 -8.356 3.965 1.00 0.00 C ATOM 855 CD2 TYR A 100 4.537 -8.997 1.714 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.349 -8.761 4.337 1.00 0.00 C ATOM 857 CE2 TYR A 100 5.802 -9.404 2.082 1.00 0.00 C ATOM 858 CZ TYR A 100 6.203 -9.283 3.393 1.00 0.00 C ATOM 859 OH TYR A 100 7.467 -9.681 3.762 1.00 0.00 O ATOM 0 H TYR A 100 4.016 -6.029 2.728 1.00 0.00 H new ATOM 0 HA TYR A 100 1.687 -6.413 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.572 -8.296 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.969 -8.582 1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.415 -7.948 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.226 -9.093 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.668 -8.669 5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.475 -9.816 1.345 1.00 0.00 H new ATOM 0 HH TYR A 100 7.943 -10.027 2.978 1.00 0.00 H new ATOM 869 N ARG A 101 0.086 -5.309 2.499 1.00 0.00 N ATOM 870 CA ARG A 101 -0.890 -4.672 3.373 1.00 0.00 C ATOM 871 C ARG A 101 -2.188 -5.471 3.440 1.00 0.00 C ATOM 872 O ARG A 101 -2.612 -6.080 2.455 1.00 0.00 O ATOM 873 CB ARG A 101 -1.180 -3.248 2.910 1.00 0.00 C ATOM 874 CG ARG A 101 -1.843 -2.405 3.984 1.00 0.00 C ATOM 875 CD ARG A 101 -1.676 -0.926 3.718 1.00 0.00 C ATOM 876 NE ARG A 101 -0.344 -0.467 4.110 1.00 0.00 N ATOM 877 CZ ARG A 101 -0.092 0.362 5.114 1.00 0.00 C ATOM 878 NH1 ARG A 101 -1.059 0.839 5.870 1.00 0.00 N ATOM 879 NH2 ARG A 101 1.151 0.696 5.381 1.00 0.00 N ATOM 0 H ARG A 101 -0.147 -5.270 1.507 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.458 -4.640 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.248 -2.773 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.824 -3.280 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.904 -2.648 4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.414 -2.651 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.837 -0.724 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.433 -0.367 4.268 1.00 0.00 H new ATOM 0 HE ARG A 101 0.451 -0.810 3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.027 0.572 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.840 1.475 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.913 0.318 4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.354 1.333 6.151 1.00 0.00 H new ATOM 893 N GLU A 102 -2.813 -5.453 4.614 1.00 0.00 N ATOM 894 CA GLU A 102 -4.063 -6.166 4.839 1.00 0.00 C ATOM 895 C GLU A 102 -5.250 -5.203 4.844 1.00 0.00 C ATOM 896 O GLU A 102 -5.146 -4.069 5.321 1.00 0.00 O ATOM 897 CB GLU A 102 -3.975 -6.934 6.168 1.00 0.00 C ATOM 898 CG GLU A 102 -5.318 -7.366 6.746 1.00 0.00 C ATOM 899 CD GLU A 102 -5.796 -6.456 7.862 1.00 0.00 C ATOM 900 OE1 GLU A 102 -5.222 -6.523 8.969 1.00 0.00 O ATOM 901 OE2 GLU A 102 -6.740 -5.675 7.624 1.00 0.00 O ATOM 0 H GLU A 102 -2.469 -4.947 5.430 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.221 -6.874 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.357 -7.820 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.464 -6.308 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.063 -7.381 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.235 -8.385 7.124 1.00 0.00 H new ATOM 908 N CYS A 103 -6.373 -5.659 4.307 1.00 0.00 N ATOM 909 CA CYS A 103 -7.586 -4.849 4.253 1.00 0.00 C ATOM 910 C CYS A 103 -8.693 -5.498 5.072 1.00 0.00 C ATOM 911 O CYS A 103 -9.062 -6.649 4.837 1.00 0.00 O ATOM 912 CB CYS A 103 -8.033 -4.643 2.806 1.00 0.00 C ATOM 913 SG CYS A 103 -8.400 -2.905 2.400 1.00 0.00 S ATOM 0 H CYS A 103 -6.471 -6.589 3.900 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.368 -3.871 4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.253 -5.007 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.921 -5.247 2.619 1.00 0.00 H new ATOM 918 N LEU A 104 -9.198 -4.746 6.042 1.00 0.00 N ATOM 919 CA LEU A 104 -10.252 -5.213 6.941 1.00 0.00 C ATOM 920 C LEU A 104 -11.515 -5.633 6.196 1.00 0.00 C ATOM 921 O LEU A 104 -11.839 -5.097 5.132 1.00 0.00 O ATOM 922 CB LEU A 104 -10.585 -4.109 7.945 1.00 0.00 C ATOM 923 CG LEU A 104 -9.679 -4.058 9.175 1.00 0.00 C ATOM 924 CD1 LEU A 104 -8.516 -3.107 8.946 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.470 -3.650 10.408 1.00 0.00 C ATOM 0 H LEU A 104 -8.889 -3.792 6.230 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.877 -6.097 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.534 -3.147 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.615 -4.239 8.277 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.276 -5.057 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.883 -3.085 9.833 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.931 -3.447 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.898 -2.106 8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.807 -3.620 11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.906 -2.663 10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.265 -4.374 10.586 1.00 0.00 H new ATOM 937 N GLU A 105 -12.245 -6.582 6.792 1.00 0.00 N ATOM 938 CA GLU A 105 -13.500 -7.071 6.219 1.00 0.00 C ATOM 939 C GLU A 105 -14.505 -5.927 6.034 1.00 0.00 C ATOM 940 O GLU A 105 -15.483 -6.065 5.302 1.00 0.00 O ATOM 941 CB GLU A 105 -14.108 -8.163 7.113 1.00 0.00 C ATOM 942 CG GLU A 105 -14.446 -7.692 8.524 1.00 0.00 C ATOM 943 CD GLU A 105 -15.848 -8.080 8.959 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.096 -9.287 9.158 1.00 0.00 O ATOM 945 OE2 GLU A 105 -16.695 -7.174 9.105 1.00 0.00 O ATOM 0 H GLU A 105 -11.986 -7.026 7.673 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.278 -7.495 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.014 -8.542 6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.409 -8.997 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.725 -8.113 9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.343 -6.608 8.574 1.00 0.00 H new ATOM 952 N ASN A 106 -14.248 -4.791 6.692 1.00 0.00 N ATOM 953 CA ASN A 106 -15.126 -3.625 6.585 1.00 0.00 C ATOM 954 C ASN A 106 -14.699 -2.688 5.443 1.00 0.00 C ATOM 955 O ASN A 106 -15.397 -1.719 5.141 1.00 0.00 O ATOM 956 CB ASN A 106 -15.141 -2.855 7.908 1.00 0.00 C ATOM 957 CG ASN A 106 -15.934 -3.565 8.988 1.00 0.00 C ATOM 958 OD1 ASN A 106 -17.084 -3.224 9.253 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.322 -4.552 9.622 1.00 0.00 N ATOM 0 H ASN A 106 -13.441 -4.656 7.302 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.128 -3.990 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.117 -2.710 8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.565 -1.865 7.743 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.806 -5.061 10.361 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.366 -4.804 9.371 1.00 0.00 H new ATOM 966 N GLY A 107 -13.550 -2.975 4.815 1.00 0.00 N ATOM 967 CA GLY A 107 -13.059 -2.135 3.726 1.00 0.00 C ATOM 968 C GLY A 107 -11.928 -1.202 4.150 1.00 0.00 C ATOM 969 O GLY A 107 -11.390 -0.460 3.324 1.00 0.00 O ATOM 0 H GLY A 107 -12.954 -3.771 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.710 -2.772 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.884 -1.541 3.334 1.00 0.00 H new ATOM 973 N THR A 108 -11.567 -1.237 5.435 1.00 0.00 N ATOM 974 CA THR A 108 -10.497 -0.390 5.963 1.00 0.00 C ATOM 975 C THR A 108 -9.120 -1.002 5.697 1.00 0.00 C ATOM 976 O THR A 108 -8.935 -2.216 5.801 1.00 0.00 O ATOM 977 CB THR A 108 -10.687 -0.167 7.467 1.00 0.00 C ATOM 978 OG1 THR A 108 -11.360 -1.266 8.059 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.485 1.074 7.793 1.00 0.00 C ATOM 0 H THR A 108 -12.002 -1.844 6.130 1.00 0.00 H new ATOM 0 HA THR A 108 -10.548 0.570 5.448 1.00 0.00 H new ATOM 0 HB THR A 108 -9.679 -0.053 7.867 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.611 -1.039 8.979 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.581 1.171 8.874 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.974 1.950 7.394 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.476 0.997 7.346 1.00 0.00 H new ATOM 987 N TRP A 109 -8.156 -0.152 5.362 1.00 0.00 N ATOM 988 CA TRP A 109 -6.794 -0.606 5.083 1.00 0.00 C ATOM 989 C TRP A 109 -5.958 -0.678 6.360 1.00 0.00 C ATOM 990 O TRP A 109 -5.857 0.304 7.098 1.00 0.00 O ATOM 991 CB TRP A 109 -6.121 0.338 4.089 1.00 0.00 C ATOM 992 CG TRP A 109 -6.237 -0.105 2.665 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.839 0.571 1.648 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.738 -1.320 2.100 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.739 -0.144 0.481 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.067 -1.306 0.733 1.00 0.00 C ATOM 997 CE3 TRP A 109 -5.045 -2.414 2.617 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.722 -2.342 -0.122 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.705 -3.446 1.765 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.043 -3.402 0.408 1.00 0.00 C ATOM 0 H TRP A 109 -8.290 0.856 5.276 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.858 -1.607 4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.561 1.330 4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.066 0.430 4.347 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.325 1.531 1.746 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.106 0.145 -0.426 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.779 -2.453 3.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.981 -2.312 -1.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -4.170 -4.300 2.152 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.761 -4.224 -0.234 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.347 -1.836 6.609 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.509 -2.015 7.791 1.00 0.00 C ATOM 1013 C ALA A 110 -3.159 -1.313 7.611 1.00 0.00 C ATOM 1014 O ALA A 110 -2.925 -0.644 6.598 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.312 -3.500 8.073 1.00 0.00 C ATOM 0 H ALA A 110 -5.417 -2.659 6.011 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.011 -1.562 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.686 -3.623 8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.280 -3.969 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.829 -3.972 7.217 1.00 0.00 H new ATOM 1021 N SER A 111 -2.271 -1.477 8.591 1.00 0.00 N ATOM 1022 CA SER A 111 -0.941 -0.872 8.541 1.00 0.00 C ATOM 1023 C SER A 111 0.143 -1.928 8.772 1.00 0.00 C ATOM 1024 O SER A 111 0.961 -1.815 9.685 1.00 0.00 O ATOM 1025 CB SER A 111 -0.825 0.254 9.575 1.00 0.00 C ATOM 1026 OG SER A 111 0.310 1.070 9.320 1.00 0.00 O ATOM 0 H SER A 111 -2.450 -2.026 9.432 1.00 0.00 H new ATOM 0 HA SER A 111 -0.796 -0.446 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.728 0.865 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.752 -0.173 10.575 1.00 0.00 H new ATOM 0 HG SER A 111 0.183 1.553 8.477 1.00 0.00 H new ATOM 1032 N ARG A 112 0.134 -2.961 7.930 1.00 0.00 N ATOM 1033 CA ARG A 112 1.112 -4.046 8.032 1.00 0.00 C ATOM 1034 C ARG A 112 2.410 -3.688 7.298 1.00 0.00 C ATOM 1035 O ARG A 112 3.331 -3.153 7.907 1.00 0.00 O ATOM 1036 CB ARG A 112 0.513 -5.362 7.508 1.00 0.00 C ATOM 1037 CG ARG A 112 0.739 -6.543 8.438 1.00 0.00 C ATOM 1038 CD ARG A 112 -0.133 -6.458 9.681 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.323 -7.775 10.297 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.584 -7.976 11.583 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -0.737 -6.956 12.408 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -0.704 -9.206 12.043 1.00 0.00 N ATOM 0 H ARG A 112 -0.538 -3.070 7.171 1.00 0.00 H new ATOM 0 HA ARG A 112 1.362 -4.186 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.558 -5.229 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.948 -5.588 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.525 -7.470 7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.788 -6.579 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.325 -5.781 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.103 -6.035 9.418 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.249 -8.595 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.655 -6.001 12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.937 -7.123 13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.596 -10.000 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.904 -9.364 13.031 1.00 0.00 H new ATOM 1056 N VAL A 113 2.473 -3.977 5.995 1.00 0.00 N ATOM 1057 CA VAL A 113 3.656 -3.676 5.183 1.00 0.00 C ATOM 1058 C VAL A 113 4.912 -4.398 5.704 1.00 0.00 C ATOM 1059 O VAL A 113 4.887 -5.034 6.759 1.00 0.00 O ATOM 1060 CB VAL A 113 3.909 -2.146 5.120 1.00 0.00 C ATOM 1061 CG1 VAL A 113 5.016 -1.710 6.070 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.231 -1.713 3.702 1.00 0.00 C ATOM 0 H VAL A 113 1.715 -4.421 5.478 1.00 0.00 H new ATOM 0 HA VAL A 113 3.453 -4.044 4.177 1.00 0.00 H new ATOM 0 HB VAL A 113 2.990 -1.656 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.159 -0.632 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.740 -1.967 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 113 5.943 -2.219 5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.405 -0.637 3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.125 -2.232 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.394 -1.958 3.048 1.00 0.00 H new ATOM 1072 N ASN A 114 6.013 -4.293 4.958 1.00 0.00 N ATOM 1073 CA ASN A 114 7.276 -4.924 5.357 1.00 0.00 C ATOM 1074 C ASN A 114 8.496 -4.296 4.665 1.00 0.00 C ATOM 1075 O ASN A 114 9.546 -4.935 4.541 1.00 0.00 O ATOM 1076 CB ASN A 114 7.232 -6.428 5.079 1.00 0.00 C ATOM 1077 CG ASN A 114 8.003 -7.223 6.114 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.216 -6.760 7.231 1.00 0.00 O ATOM 1079 ND2 ASN A 114 8.417 -8.427 5.758 1.00 0.00 N ATOM 0 H ASN A 114 6.058 -3.780 4.078 1.00 0.00 H new ATOM 0 HA ASN A 114 7.389 -4.753 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.195 -6.763 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.645 -6.625 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.933 -9.006 6.421 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.221 -8.777 4.820 1.00 0.00 H new ATOM 1086 N TYR A 115 8.371 -3.037 4.239 1.00 0.00 N ATOM 1087 CA TYR A 115 9.480 -2.342 3.588 1.00 0.00 C ATOM 1088 C TYR A 115 10.682 -2.241 4.533 1.00 0.00 C ATOM 1089 O TYR A 115 11.832 -2.290 4.095 1.00 0.00 O ATOM 1090 CB TYR A 115 9.039 -0.953 3.104 1.00 0.00 C ATOM 1091 CG TYR A 115 8.891 0.079 4.200 1.00 0.00 C ATOM 1092 CD1 TYR A 115 7.713 0.191 4.928 1.00 0.00 C ATOM 1093 CD2 TYR A 115 9.932 0.943 4.502 1.00 0.00 C ATOM 1094 CE1 TYR A 115 7.580 1.136 5.929 1.00 0.00 C ATOM 1095 CE2 TYR A 115 9.807 1.889 5.499 1.00 0.00 C ATOM 1096 CZ TYR A 115 8.633 1.982 6.210 1.00 0.00 C ATOM 1097 OH TYR A 115 8.519 2.922 7.209 1.00 0.00 O ATOM 0 H TYR A 115 7.520 -2.483 4.333 1.00 0.00 H new ATOM 0 HA TYR A 115 9.785 -2.920 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 115 9.764 -0.589 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.086 -1.050 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.888 -0.470 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 115 10.856 0.875 3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.658 1.211 6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.628 2.554 5.720 1.00 0.00 H new ATOM 0 HH TYR A 115 7.583 2.988 7.491 1.00 0.00 H new ATOM 1107 N SER A 116 10.404 -2.131 5.836 1.00 0.00 N ATOM 1108 CA SER A 116 11.455 -2.053 6.855 1.00 0.00 C ATOM 1109 C SER A 116 12.376 -3.282 6.818 1.00 0.00 C ATOM 1110 O SER A 116 13.459 -3.264 7.404 1.00 0.00 O ATOM 1111 CB SER A 116 10.835 -1.912 8.250 1.00 0.00 C ATOM 1112 OG SER A 116 11.769 -1.380 9.176 1.00 0.00 O ATOM 0 H SER A 116 9.456 -2.094 6.211 1.00 0.00 H new ATOM 0 HA SER A 116 12.059 -1.173 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.961 -1.263 8.198 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.489 -2.886 8.597 1.00 0.00 H new ATOM 0 HG SER A 116 12.663 -1.728 8.975 1.00 0.00 H new ATOM 1118 N HIS A 117 11.944 -4.345 6.129 1.00 0.00 N ATOM 1119 CA HIS A 117 12.741 -5.564 6.023 1.00 0.00 C ATOM 1120 C HIS A 117 13.641 -5.550 4.775 1.00 0.00 C ATOM 1121 O HIS A 117 14.377 -6.512 4.528 1.00 0.00 O ATOM 1122 CB HIS A 117 11.824 -6.791 6.001 1.00 0.00 C ATOM 1123 CG HIS A 117 11.770 -7.517 7.308 1.00 0.00 C ATOM 1124 ND1 HIS A 117 12.685 -8.481 7.668 1.00 0.00 N ATOM 1125 CD2 HIS A 117 10.909 -7.411 8.346 1.00 0.00 C ATOM 1126 CE1 HIS A 117 12.389 -8.942 8.871 1.00 0.00 C ATOM 1127 NE2 HIS A 117 11.315 -8.307 9.306 1.00 0.00 N ATOM 0 H HIS A 117 11.050 -4.382 5.640 1.00 0.00 H new ATOM 0 HA HIS A 117 13.390 -5.614 6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.817 -6.478 5.726 1.00 0.00 H new ATOM 0 HB3 HIS A 117 12.167 -7.477 5.227 1.00 0.00 H new ATOM 0 HD2 HIS A 117 10.060 -6.746 8.409 1.00 0.00 H new ATOM 0 HE1 HIS A 117 12.932 -9.707 9.407 1.00 0.00 H new ATOM 0 HE2 HIS A 117 10.861 -8.457 10.207 1.00 0.00 H new ATOM 1136 N CYS A 118 13.591 -4.467 3.991 1.00 0.00 N ATOM 1137 CA CYS A 118 14.421 -4.359 2.786 1.00 0.00 C ATOM 1138 C CYS A 118 15.895 -4.212 3.160 1.00 0.00 C ATOM 1139 O CYS A 118 16.233 -3.548 4.141 1.00 0.00 O ATOM 1140 CB CYS A 118 13.975 -3.185 1.908 1.00 0.00 C ATOM 1141 SG CYS A 118 13.298 -3.686 0.290 1.00 0.00 S ATOM 0 H CYS A 118 12.991 -3.661 4.167 1.00 0.00 H new ATOM 0 HA CYS A 118 14.295 -5.277 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.220 -2.610 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.825 -2.522 1.746 1.00 0.00 H new ATOM 1146 N GLU A 119 16.763 -4.850 2.381 1.00 0.00 N ATOM 1147 CA GLU A 119 18.206 -4.814 2.632 1.00 0.00 C ATOM 1148 C GLU A 119 18.820 -3.449 2.318 1.00 0.00 C ATOM 1149 O GLU A 119 18.537 -2.854 1.278 1.00 0.00 O ATOM 1150 CB GLU A 119 18.908 -5.872 1.785 1.00 0.00 C ATOM 1151 CG GLU A 119 19.908 -6.721 2.549 1.00 0.00 C ATOM 1152 CD GLU A 119 19.966 -8.139 2.030 1.00 0.00 C ATOM 1153 OE1 GLU A 119 20.445 -8.339 0.895 1.00 0.00 O ATOM 1154 OE2 GLU A 119 19.499 -9.047 2.749 1.00 0.00 O ATOM 0 H GLU A 119 16.494 -5.401 1.566 1.00 0.00 H new ATOM 0 HA GLU A 119 18.347 -5.013 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.155 -6.526 1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.423 -5.378 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 119 20.897 -6.268 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 119 19.640 -6.733 3.605 1.00 0.00 H new ATOM 1161 N PRO A 120 19.698 -2.946 3.207 1.00 0.00 N ATOM 1162 CA PRO A 120 20.378 -1.671 3.014 1.00 0.00 C ATOM 1163 C PRO A 120 21.699 -1.843 2.255 1.00 0.00 C ATOM 1164 O PRO A 120 22.140 -2.969 2.009 1.00 0.00 O ATOM 1165 CB PRO A 120 20.626 -1.226 4.449 1.00 0.00 C ATOM 1166 CG PRO A 120 20.881 -2.499 5.189 1.00 0.00 C ATOM 1167 CD PRO A 120 20.120 -3.590 4.466 1.00 0.00 C ATOM 0 HA PRO A 120 19.806 -0.959 2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 120 21.478 -0.550 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.765 -0.695 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 120 21.947 -2.724 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 120 20.548 -2.417 6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 120 20.749 -4.461 4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 120 19.264 -3.934 5.047 1.00 0.00 H new ATOM 1175 N ILE A 121 22.325 -0.728 1.885 1.00 0.00 N ATOM 1176 CA ILE A 121 23.592 -0.763 1.153 1.00 0.00 C ATOM 1177 C ILE A 121 24.475 0.435 1.518 1.00 0.00 C ATOM 1178 O ILE A 121 25.714 0.282 1.508 1.00 0.00 O ATOM 1179 CB ILE A 121 23.352 -0.803 -0.380 1.00 0.00 C ATOM 1180 CG1 ILE A 121 22.718 -2.134 -0.787 1.00 0.00 C ATOM 1181 CG2 ILE A 121 24.653 -0.593 -1.143 1.00 0.00 C ATOM 1182 CD1 ILE A 121 21.207 -2.131 -0.725 1.00 0.00 C ATOM 0 H ILE A 121 21.977 0.211 2.079 1.00 0.00 H new ATOM 0 HA ILE A 121 24.112 -1.676 1.445 1.00 0.00 H new ATOM 0 HB ILE A 121 22.669 0.008 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 121 23.031 -2.380 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 121 23.098 -2.922 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 121 24.456 -0.626 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 121 25.076 0.377 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 121 25.360 -1.380 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.829 -3.108 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.885 -1.916 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 121 20.817 -1.367 -1.397 1.00 0.00 H new TER 1194 ILE A 121