USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 792 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 83 HIS :FLIP no HE2:sc= -0.199 F(o=-2.7,f=-2) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.76 K(o=-2,f=-5.3!) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.312 X(o=-3.1,f=-2.8) USER MOD Set 2.2: A 22 ASN : amide:sc= -2.81 K(o=-3.1,f=-5.1!) USER MOD Set 2.3: A 81 THR OG1 : rot -140:sc= 0 USER MOD Set 3.1: A 53 SER OG : rot -35:sc= -1.09 USER MOD Set 3.2: A 56 LYS NZ :NH3+ 134:sc= -5.83! (180deg=-10.1!) USER MOD Set 4.1: A 24 HIS : no HD1:sc= -1.2 K(o=-2.8,f=-7!) USER MOD Set 4.2: A 74 HIS : no HD1:sc= -1.59 K(o=-2.8,f=-3.5) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= -1.01 (180deg=-1.05) USER MOD Single : A 6 ASN : amide:sc= -3.11 K(o=-3.1,f=-14!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.475 K(o=-0.47,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= -0.0813 X(o=-0.081,f=-0.54) USER MOD Single : A 36 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.36) USER MOD Single : A 38 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -2.77! C(o=-6.1!,f=-2.8!) USER MOD Single : A 48 MET CE :methyl 173:sc= -3.68 (180deg=-4.13) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 58 GLN : amide:sc= -0.01 K(o=-0.01,f=-1) USER MOD Single : A 60 MET CE :methyl -162:sc= 0 (180deg=-0.56) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc=-0.00849 K(o=-0.0085,f=-1.9) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.734 F(o=-1.2,f=-0.73) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.189 F(o=-0.76,f=-0.19) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.033) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 101 HIS :FLIP no HE2:sc= -0.237 F(o=-1.2,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -1.025 -16.258 4.653 1.00 0.00 N ATOM 42 CA GLY A 3 -1.950 -15.329 5.276 1.00 0.00 C ATOM 43 C GLY A 3 -1.270 -14.365 6.227 1.00 0.00 C ATOM 44 O GLY A 3 -1.793 -13.285 6.498 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.465 -14.763 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.710 -15.891 5.819 1.00 0.00 H new ATOM 48 N LYS A 4 -0.106 -14.750 6.733 1.00 0.00 N ATOM 49 CA LYS A 4 0.633 -13.899 7.659 1.00 0.00 C ATOM 50 C LYS A 4 1.242 -12.715 6.941 1.00 0.00 C ATOM 51 O LYS A 4 1.571 -11.708 7.569 1.00 0.00 O ATOM 52 CB LYS A 4 1.724 -14.690 8.376 1.00 0.00 C ATOM 53 CG LYS A 4 2.319 -13.958 9.569 1.00 0.00 C ATOM 54 CD LYS A 4 1.405 -14.028 10.782 1.00 0.00 C ATOM 55 CE LYS A 4 0.354 -12.929 10.758 1.00 0.00 C ATOM 56 NZ LYS A 4 0.444 -12.048 11.955 1.00 0.00 N ATOM 0 H LYS A 4 0.345 -15.640 6.520 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.075 -13.529 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.311 -15.641 8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.520 -14.921 7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.287 -14.392 9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.496 -12.915 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.914 -15.001 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.000 -13.943 11.691 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.476 -12.329 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.639 -13.377 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.220 -11.254 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.202 -12.594 12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.413 -11.680 12.043 1.00 0.00 H new ATOM 70 N LEU A 5 1.362 -12.809 5.623 1.00 0.00 N ATOM 71 CA LEU A 5 1.897 -11.701 4.856 1.00 0.00 C ATOM 72 C LEU A 5 1.112 -10.437 5.193 1.00 0.00 C ATOM 73 O LEU A 5 1.597 -9.320 5.015 1.00 0.00 O ATOM 74 CB LEU A 5 1.830 -11.993 3.356 1.00 0.00 C ATOM 75 CG LEU A 5 2.982 -11.412 2.536 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.188 -9.944 2.879 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.263 -12.199 2.776 1.00 0.00 C ATOM 0 H LEU A 5 1.100 -13.628 5.074 1.00 0.00 H new ATOM 0 HA LEU A 5 2.946 -11.558 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.809 -13.073 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.891 -11.601 2.966 1.00 0.00 H new ATOM 0 HG LEU A 5 2.726 -11.490 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.011 -9.544 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.278 -9.387 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.423 -9.847 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.070 -11.769 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.525 -12.154 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.112 -13.238 2.484 1.00 0.00 H new ATOM 89 N ASN A 6 -0.110 -10.631 5.703 1.00 0.00 N ATOM 90 CA ASN A 6 -0.959 -9.520 6.085 1.00 0.00 C ATOM 91 C ASN A 6 -0.306 -8.693 7.185 1.00 0.00 C ATOM 92 O ASN A 6 -0.366 -7.464 7.166 1.00 0.00 O ATOM 93 CB ASN A 6 -2.327 -10.015 6.543 1.00 0.00 C ATOM 94 CG ASN A 6 -2.244 -10.908 7.766 1.00 0.00 C ATOM 95 OD1 ASN A 6 -1.189 -11.463 8.074 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.361 -11.051 8.471 1.00 0.00 N ATOM 0 H ASN A 6 -0.524 -11.550 5.857 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.095 -8.887 5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.964 -9.159 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.802 -10.563 5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.366 -11.640 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.213 -10.572 8.179 1.00 0.00 H new ATOM 103 N ASP A 7 0.330 -9.370 8.139 1.00 0.00 N ATOM 104 CA ASP A 7 1.006 -8.682 9.234 1.00 0.00 C ATOM 105 C ASP A 7 1.942 -7.613 8.680 1.00 0.00 C ATOM 106 O ASP A 7 2.198 -6.596 9.325 1.00 0.00 O ATOM 107 CB ASP A 7 1.791 -9.677 10.090 1.00 0.00 C ATOM 108 CG ASP A 7 2.271 -9.068 11.392 1.00 0.00 C ATOM 109 OD1 ASP A 7 1.442 -8.471 12.110 1.00 0.00 O ATOM 110 OD2 ASP A 7 3.477 -9.189 11.695 1.00 0.00 O ATOM 0 H ASP A 7 0.391 -10.388 8.175 1.00 0.00 H new ATOM 0 HA ASP A 7 0.254 -8.205 9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.162 -10.541 10.306 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.649 -10.041 9.524 1.00 0.00 H new ATOM 115 N LEU A 8 2.434 -7.852 7.469 1.00 0.00 N ATOM 116 CA LEU A 8 3.327 -6.917 6.802 1.00 0.00 C ATOM 117 C LEU A 8 2.515 -5.831 6.097 1.00 0.00 C ATOM 118 O LEU A 8 2.973 -4.698 5.949 1.00 0.00 O ATOM 119 CB LEU A 8 4.217 -7.668 5.802 1.00 0.00 C ATOM 120 CG LEU A 8 4.943 -6.806 4.761 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.009 -6.458 3.612 1.00 0.00 C ATOM 122 CD2 LEU A 8 5.510 -5.542 5.398 1.00 0.00 C ATOM 0 H LEU A 8 2.226 -8.692 6.928 1.00 0.00 H new ATOM 0 HA LEU A 8 3.968 -6.440 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.964 -8.230 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.601 -8.396 5.274 1.00 0.00 H new ATOM 0 HG LEU A 8 5.777 -7.384 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.541 -5.846 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.664 -7.374 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.152 -5.903 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.019 -4.949 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.698 -4.957 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.218 -5.815 6.180 1.00 0.00 H new ATOM 134 N LEU A 9 1.302 -6.183 5.673 1.00 0.00 N ATOM 135 CA LEU A 9 0.427 -5.235 4.994 1.00 0.00 C ATOM 136 C LEU A 9 0.047 -4.085 5.925 1.00 0.00 C ATOM 137 O LEU A 9 -0.184 -2.961 5.483 1.00 0.00 O ATOM 138 CB LEU A 9 -0.839 -5.939 4.503 1.00 0.00 C ATOM 139 CG LEU A 9 -0.740 -6.561 3.109 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.829 -7.603 2.913 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.829 -5.484 2.039 1.00 0.00 C ATOM 0 H LEU A 9 0.906 -7.116 5.788 1.00 0.00 H new ATOM 0 HA LEU A 9 0.967 -4.829 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.099 -6.722 5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.659 -5.221 4.505 1.00 0.00 H new ATOM 0 HG LEU A 9 0.227 -7.055 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.744 -8.035 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.719 -8.389 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.806 -7.133 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.757 -5.944 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.782 -4.962 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.012 -4.774 2.169 1.00 0.00 H new ATOM 153 N GLU A 10 -0.022 -4.378 7.221 1.00 0.00 N ATOM 154 CA GLU A 10 -0.382 -3.375 8.220 1.00 0.00 C ATOM 155 C GLU A 10 0.519 -2.145 8.130 1.00 0.00 C ATOM 156 O GLU A 10 0.035 -1.015 8.066 1.00 0.00 O ATOM 157 CB GLU A 10 -0.301 -3.977 9.624 1.00 0.00 C ATOM 158 CG GLU A 10 -1.482 -4.868 9.972 1.00 0.00 C ATOM 159 CD GLU A 10 -2.766 -4.086 10.169 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.275 -3.521 9.178 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.263 -4.038 11.314 1.00 0.00 O ATOM 0 H GLU A 10 0.167 -5.304 7.605 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.405 -3.059 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.618 -4.556 9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.238 -3.170 10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.626 -5.601 9.178 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.257 -5.424 10.882 1.00 0.00 H new ATOM 168 N ASP A 11 1.829 -2.371 8.133 1.00 0.00 N ATOM 169 CA ASP A 11 2.797 -1.277 8.058 1.00 0.00 C ATOM 170 C ASP A 11 2.488 -0.341 6.892 1.00 0.00 C ATOM 171 O ASP A 11 2.435 0.878 7.057 1.00 0.00 O ATOM 172 CB ASP A 11 4.215 -1.834 7.914 1.00 0.00 C ATOM 173 CG ASP A 11 5.265 -0.897 8.476 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.223 0.307 8.148 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.129 -1.366 9.246 1.00 0.00 O ATOM 0 H ASP A 11 2.246 -3.300 8.186 1.00 0.00 H new ATOM 0 HA ASP A 11 2.725 -0.705 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.278 -2.795 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.424 -2.019 6.860 1.00 0.00 H new ATOM 180 N LEU A 12 2.285 -0.922 5.716 1.00 0.00 N ATOM 181 CA LEU A 12 1.981 -0.157 4.515 1.00 0.00 C ATOM 182 C LEU A 12 0.747 0.709 4.729 1.00 0.00 C ATOM 183 O LEU A 12 0.810 1.932 4.634 1.00 0.00 O ATOM 184 CB LEU A 12 1.796 -1.115 3.317 1.00 0.00 C ATOM 185 CG LEU A 12 0.460 -1.036 2.547 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.703 -1.026 1.046 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.443 -2.203 2.921 1.00 0.00 C ATOM 0 H LEU A 12 2.326 -1.931 5.569 1.00 0.00 H new ATOM 0 HA LEU A 12 2.815 0.510 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.604 -0.931 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.917 -2.136 3.680 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.035 -0.106 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.252 -0.970 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.313 -0.162 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.223 -1.939 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.380 -2.130 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.053 -3.141 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.650 -2.175 3.991 1.00 0.00 H new ATOM 199 N GLN A 13 -0.375 0.064 5.012 1.00 0.00 N ATOM 200 CA GLN A 13 -1.628 0.778 5.225 1.00 0.00 C ATOM 201 C GLN A 13 -1.469 1.857 6.292 1.00 0.00 C ATOM 202 O GLN A 13 -2.066 2.929 6.199 1.00 0.00 O ATOM 203 CB GLN A 13 -2.737 -0.197 5.626 1.00 0.00 C ATOM 204 CG GLN A 13 -4.137 0.319 5.335 1.00 0.00 C ATOM 205 CD GLN A 13 -5.123 -0.018 6.438 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.114 0.598 7.504 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.979 -1.002 6.186 1.00 0.00 N ATOM 0 H GLN A 13 -0.445 -0.950 5.100 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.903 1.261 4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.589 -1.139 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.652 -0.412 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.102 1.400 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.489 -0.106 4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.951 -1.485 5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.665 -1.274 6.890 1.00 0.00 H new ATOM 216 N GLU A 14 -0.648 1.571 7.299 1.00 0.00 N ATOM 217 CA GLU A 14 -0.400 2.524 8.372 1.00 0.00 C ATOM 218 C GLU A 14 0.575 3.595 7.909 1.00 0.00 C ATOM 219 O GLU A 14 0.566 4.718 8.412 1.00 0.00 O ATOM 220 CB GLU A 14 0.150 1.810 9.609 1.00 0.00 C ATOM 221 CG GLU A 14 0.422 2.743 10.778 1.00 0.00 C ATOM 222 CD GLU A 14 1.825 2.591 11.334 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.246 1.440 11.578 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.503 3.622 11.525 1.00 0.00 O ATOM 0 H GLU A 14 -0.145 0.689 7.393 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.345 2.998 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.560 1.045 9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.074 1.297 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.272 3.774 10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.301 2.547 11.570 1.00 0.00 H new ATOM 231 N VAL A 15 1.409 3.244 6.936 1.00 0.00 N ATOM 232 CA VAL A 15 2.376 4.181 6.398 1.00 0.00 C ATOM 233 C VAL A 15 1.673 5.262 5.585 1.00 0.00 C ATOM 234 O VAL A 15 2.160 6.387 5.472 1.00 0.00 O ATOM 235 CB VAL A 15 3.453 3.457 5.549 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.073 3.345 4.072 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.791 4.150 5.711 1.00 0.00 C ATOM 0 H VAL A 15 1.431 2.319 6.508 1.00 0.00 H new ATOM 0 HA VAL A 15 2.887 4.657 7.235 1.00 0.00 H new ATOM 0 HB VAL A 15 3.525 2.436 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.866 2.829 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.144 2.783 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.938 4.343 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.542 3.636 5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.708 5.185 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.087 4.129 6.760 1.00 0.00 H new ATOM 247 N LEU A 16 0.515 4.912 5.028 1.00 0.00 N ATOM 248 CA LEU A 16 -0.263 5.853 4.236 1.00 0.00 C ATOM 249 C LEU A 16 -0.674 7.047 5.087 1.00 0.00 C ATOM 250 O LEU A 16 -0.705 8.182 4.610 1.00 0.00 O ATOM 251 CB LEU A 16 -1.504 5.172 3.655 1.00 0.00 C ATOM 252 CG LEU A 16 -1.272 4.368 2.371 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.483 5.179 1.359 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.554 3.069 2.680 1.00 0.00 C ATOM 0 H LEU A 16 0.098 3.985 5.112 1.00 0.00 H new ATOM 0 HA LEU A 16 0.359 6.203 3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.919 4.505 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.256 5.935 3.455 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.245 4.135 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.331 4.587 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.035 6.085 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.484 5.448 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.398 2.511 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.410 3.287 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.157 2.474 3.366 1.00 0.00 H new ATOM 266 N LYS A 17 -0.982 6.789 6.356 1.00 0.00 N ATOM 267 CA LYS A 17 -1.379 7.852 7.271 1.00 0.00 C ATOM 268 C LYS A 17 -0.395 9.011 7.185 1.00 0.00 C ATOM 269 O LYS A 17 -0.786 10.178 7.180 1.00 0.00 O ATOM 270 CB LYS A 17 -1.455 7.326 8.706 1.00 0.00 C ATOM 271 CG LYS A 17 -1.833 8.388 9.727 1.00 0.00 C ATOM 272 CD LYS A 17 -0.859 8.415 10.895 1.00 0.00 C ATOM 273 CE LYS A 17 0.221 9.467 10.697 1.00 0.00 C ATOM 274 NZ LYS A 17 -0.248 10.825 11.092 1.00 0.00 N ATOM 0 H LYS A 17 -0.964 5.857 6.771 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.368 8.207 6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.185 6.517 8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.490 6.899 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.852 9.366 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.840 8.196 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.402 8.619 11.818 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.397 7.434 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.099 9.201 11.285 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.529 9.479 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.517 11.514 10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.071 11.090 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.518 10.821 12.096 1.00 0.00 H new ATOM 288 N ASN A 18 0.884 8.674 7.088 1.00 0.00 N ATOM 289 CA ASN A 18 1.928 9.683 6.967 1.00 0.00 C ATOM 290 C ASN A 18 1.838 10.346 5.601 1.00 0.00 C ATOM 291 O ASN A 18 2.027 11.554 5.459 1.00 0.00 O ATOM 292 CB ASN A 18 3.311 9.045 7.138 1.00 0.00 C ATOM 293 CG ASN A 18 4.119 9.699 8.242 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.232 9.164 9.345 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.687 10.863 7.950 1.00 0.00 N ATOM 0 H ASN A 18 1.223 7.712 7.091 1.00 0.00 H new ATOM 0 HA ASN A 18 1.787 10.430 7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.194 7.984 7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.860 9.117 6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.243 11.350 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.567 11.270 7.023 1.00 0.00 H new ATOM 302 N LEU A 19 1.549 9.526 4.602 1.00 0.00 N ATOM 303 CA LEU A 19 1.429 9.979 3.226 1.00 0.00 C ATOM 304 C LEU A 19 0.404 11.103 3.085 1.00 0.00 C ATOM 305 O LEU A 19 0.706 12.156 2.527 1.00 0.00 O ATOM 306 CB LEU A 19 1.063 8.777 2.334 1.00 0.00 C ATOM 307 CG LEU A 19 -0.083 8.978 1.331 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.235 8.296 0.010 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.385 8.447 1.895 1.00 0.00 C ATOM 0 H LEU A 19 1.391 8.526 4.724 1.00 0.00 H new ATOM 0 HA LEU A 19 2.386 10.391 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.953 8.484 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.803 7.940 2.982 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.193 10.047 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.589 8.450 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.148 8.720 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.375 7.228 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.184 8.599 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.283 7.382 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.626 8.977 2.816 1.00 0.00 H new ATOM 321 N HIS A 20 -0.811 10.868 3.571 1.00 0.00 N ATOM 322 CA HIS A 20 -1.880 11.856 3.461 1.00 0.00 C ATOM 323 C HIS A 20 -1.490 13.215 4.017 1.00 0.00 C ATOM 324 O HIS A 20 -2.162 14.211 3.749 1.00 0.00 O ATOM 325 CB HIS A 20 -3.166 11.355 4.126 1.00 0.00 C ATOM 326 CG HIS A 20 -3.119 11.276 5.615 1.00 0.00 C ATOM 327 ND1 HIS A 20 -2.770 12.329 6.436 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.410 10.245 6.431 1.00 0.00 C ATOM 329 CE1 HIS A 20 -2.848 11.942 7.697 1.00 0.00 C ATOM 330 NE2 HIS A 20 -3.236 10.679 7.721 1.00 0.00 N ATOM 0 H HIS A 20 -1.080 10.005 4.043 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.062 11.989 2.395 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.986 12.013 3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.399 10.366 3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.723 9.257 6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.632 12.553 8.561 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.382 10.119 8.561 1.00 0.00 H new ATOM 339 N LYS A 21 -0.416 13.271 4.790 1.00 0.00 N ATOM 340 CA LYS A 21 0.010 14.535 5.357 1.00 0.00 C ATOM 341 C LYS A 21 1.037 15.233 4.470 1.00 0.00 C ATOM 342 O LYS A 21 1.189 16.452 4.526 1.00 0.00 O ATOM 343 CB LYS A 21 0.575 14.337 6.757 1.00 0.00 C ATOM 344 CG LYS A 21 0.936 15.642 7.435 1.00 0.00 C ATOM 345 CD LYS A 21 -0.309 16.409 7.871 1.00 0.00 C ATOM 346 CE LYS A 21 -1.070 16.998 6.684 1.00 0.00 C ATOM 347 NZ LYS A 21 -1.546 18.381 6.962 1.00 0.00 N ATOM 0 H LYS A 21 0.166 12.470 5.034 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.871 15.174 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.156 13.806 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.461 13.705 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.563 15.441 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.523 16.257 6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.968 15.743 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.020 17.212 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.424 17.006 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.922 16.361 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.057 18.745 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.183 18.370 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.731 18.995 7.163 1.00 0.00 H new ATOM 361 N ASN A 22 1.743 14.462 3.654 1.00 0.00 N ATOM 362 CA ASN A 22 2.750 15.030 2.769 1.00 0.00 C ATOM 363 C ASN A 22 2.574 14.523 1.342 1.00 0.00 C ATOM 364 O ASN A 22 3.537 14.434 0.581 1.00 0.00 O ATOM 365 CB ASN A 22 4.152 14.704 3.282 1.00 0.00 C ATOM 366 CG ASN A 22 4.483 15.454 4.559 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.351 16.326 4.575 1.00 0.00 O ATOM 368 ND2 ASN A 22 3.789 15.118 5.639 1.00 0.00 N ATOM 0 H ASN A 22 1.638 13.450 3.587 1.00 0.00 H new ATOM 0 HA ASN A 22 2.622 16.112 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.231 13.632 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.885 14.954 2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.967 15.589 6.526 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.078 14.389 5.582 1.00 0.00 H new ATOM 375 N TRP A 23 1.336 14.197 0.983 1.00 0.00 N ATOM 376 CA TRP A 23 1.035 13.707 -0.355 1.00 0.00 C ATOM 377 C TRP A 23 0.722 14.868 -1.299 1.00 0.00 C ATOM 378 O TRP A 23 1.006 14.802 -2.496 1.00 0.00 O ATOM 379 CB TRP A 23 -0.133 12.712 -0.308 1.00 0.00 C ATOM 380 CG TRP A 23 -1.469 13.340 -0.494 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.391 13.596 0.463 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.029 13.775 -1.719 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.489 14.198 -0.082 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.295 14.314 -1.437 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.569 13.765 -3.027 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.110 14.841 -2.434 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.370 14.278 -4.012 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.633 14.813 -3.718 1.00 0.00 C ATOM 0 H TRP A 23 0.527 14.264 1.600 1.00 0.00 H new ATOM 0 HA TRP A 23 1.914 13.189 -0.739 1.00 0.00 H new ATOM 0 HB2 TRP A 23 0.014 11.958 -1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.117 12.193 0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.275 13.358 1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.314 14.509 0.431 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.596 13.360 -3.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.080 15.256 -2.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.023 14.271 -5.035 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.240 15.210 -4.518 1.00 0.00 H new ATOM 399 N HIS A 24 0.138 15.928 -0.749 1.00 0.00 N ATOM 400 CA HIS A 24 -0.215 17.107 -1.533 1.00 0.00 C ATOM 401 C HIS A 24 -0.821 18.184 -0.641 1.00 0.00 C ATOM 402 O HIS A 24 -0.379 19.333 -0.649 1.00 0.00 O ATOM 403 CB HIS A 24 -1.204 16.736 -2.640 1.00 0.00 C ATOM 404 CG HIS A 24 -1.681 17.909 -3.441 1.00 0.00 C ATOM 405 ND1 HIS A 24 -0.846 18.680 -4.223 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.919 18.440 -3.580 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.549 19.634 -4.805 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.810 19.510 -4.433 1.00 0.00 N ATOM 0 H HIS A 24 -0.102 15.995 0.240 1.00 0.00 H new ATOM 0 HA HIS A 24 0.696 17.498 -1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.732 16.018 -3.310 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.065 16.238 -2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.824 18.087 -3.108 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.159 20.388 -5.472 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.578 20.111 -4.731 1.00 0.00 H new ATOM 417 N GLY A 25 -1.837 17.805 0.127 1.00 0.00 N ATOM 418 CA GLY A 25 -2.488 18.754 1.011 1.00 0.00 C ATOM 419 C GLY A 25 -3.789 18.234 1.587 1.00 0.00 C ATOM 420 O GLY A 25 -4.723 17.922 0.848 1.00 0.00 O ATOM 0 H GLY A 25 -2.220 16.860 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.811 19.005 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.683 19.676 0.464 1.00 0.00 H new ATOM 424 N GLY A 26 -3.852 18.152 2.912 1.00 0.00 N ATOM 425 CA GLY A 26 -5.053 17.678 3.572 1.00 0.00 C ATOM 426 C GLY A 26 -5.401 16.250 3.205 1.00 0.00 C ATOM 427 O GLY A 26 -5.482 15.904 2.028 1.00 0.00 O ATOM 0 H GLY A 26 -3.090 18.406 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.921 17.749 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.887 18.329 3.310 1.00 0.00 H new ATOM 431 N LYS A 27 -5.616 15.422 4.221 1.00 0.00 N ATOM 432 CA LYS A 27 -5.967 14.022 4.004 1.00 0.00 C ATOM 433 C LYS A 27 -7.318 13.901 3.298 1.00 0.00 C ATOM 434 O LYS A 27 -7.654 12.844 2.766 1.00 0.00 O ATOM 435 CB LYS A 27 -6.000 13.275 5.340 1.00 0.00 C ATOM 436 CG LYS A 27 -6.457 11.828 5.225 1.00 0.00 C ATOM 437 CD LYS A 27 -6.678 11.204 6.595 1.00 0.00 C ATOM 438 CE LYS A 27 -7.946 10.365 6.629 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.726 10.590 7.879 1.00 0.00 N ATOM 0 H LYS A 27 -5.554 15.695 5.202 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.207 13.574 3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.004 13.297 5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.665 13.803 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.381 11.782 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.711 11.252 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.822 10.581 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.740 11.990 7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.565 10.608 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.686 9.310 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.583 10.001 7.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.144 10.335 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.996 11.592 7.944 1.00 0.00 H new ATOM 453 N ASP A 28 -8.090 14.989 3.300 1.00 0.00 N ATOM 454 CA ASP A 28 -9.404 15.003 2.662 1.00 0.00 C ATOM 455 C ASP A 28 -9.363 14.349 1.283 1.00 0.00 C ATOM 456 O ASP A 28 -10.188 13.491 0.971 1.00 0.00 O ATOM 457 CB ASP A 28 -9.920 16.438 2.542 1.00 0.00 C ATOM 458 CG ASP A 28 -8.934 17.352 1.843 1.00 0.00 C ATOM 459 OD1 ASP A 28 -7.762 17.402 2.273 1.00 0.00 O ATOM 460 OD2 ASP A 28 -9.331 18.018 0.863 1.00 0.00 O ATOM 0 H ASP A 28 -7.826 15.872 3.737 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.083 14.426 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.862 16.437 1.993 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.131 16.829 3.537 1.00 0.00 H new ATOM 465 N ASN A 29 -8.395 14.750 0.464 1.00 0.00 N ATOM 466 CA ASN A 29 -8.259 14.187 -0.872 1.00 0.00 C ATOM 467 C ASN A 29 -7.618 12.806 -0.806 1.00 0.00 C ATOM 468 O ASN A 29 -8.021 11.892 -1.526 1.00 0.00 O ATOM 469 CB ASN A 29 -7.433 15.113 -1.766 1.00 0.00 C ATOM 470 CG ASN A 29 -8.294 16.106 -2.519 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.224 16.202 -3.745 1.00 0.00 O ATOM 472 ND2 ASN A 29 -9.113 16.855 -1.789 1.00 0.00 N ATOM 0 H ASN A 29 -7.699 15.457 0.701 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.255 14.088 -1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.709 15.653 -1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.865 14.515 -2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -9.716 17.542 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.139 16.743 -0.776 1.00 0.00 H new ATOM 479 N LEU A 30 -6.630 12.650 0.072 1.00 0.00 N ATOM 480 CA LEU A 30 -5.960 11.366 0.233 1.00 0.00 C ATOM 481 C LEU A 30 -6.966 10.304 0.651 1.00 0.00 C ATOM 482 O LEU A 30 -6.796 9.124 0.353 1.00 0.00 O ATOM 483 CB LEU A 30 -4.842 11.459 1.273 1.00 0.00 C ATOM 484 CG LEU A 30 -3.789 10.340 1.219 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.384 9.008 1.637 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.160 10.239 -0.161 1.00 0.00 C ATOM 0 H LEU A 30 -6.279 13.392 0.678 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.518 11.089 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.335 12.416 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.293 11.461 2.265 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.002 10.597 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.616 8.236 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.761 9.082 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.202 8.748 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.420 9.439 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.933 10.023 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.675 11.183 -0.410 1.00 0.00 H new ATOM 498 N HIS A 31 -8.025 10.731 1.337 1.00 0.00 N ATOM 499 CA HIS A 31 -9.064 9.813 1.786 1.00 0.00 C ATOM 500 C HIS A 31 -9.467 8.876 0.654 1.00 0.00 C ATOM 501 O HIS A 31 -9.348 7.659 0.771 1.00 0.00 O ATOM 502 CB HIS A 31 -10.284 10.589 2.283 1.00 0.00 C ATOM 503 CG HIS A 31 -10.972 9.942 3.445 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.296 9.267 4.439 1.00 0.00 N ATOM 505 CD2 HIS A 31 -12.285 9.870 3.771 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.161 8.808 5.325 1.00 0.00 C ATOM 507 NE2 HIS A 31 -12.374 9.159 4.943 1.00 0.00 N ATOM 0 H HIS A 31 -8.184 11.706 1.592 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.667 9.220 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.974 11.594 2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.995 10.696 1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.108 10.293 3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.917 8.242 6.212 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.238 8.938 5.438 1.00 0.00 H new ATOM 516 N ASP A 32 -9.926 9.456 -0.449 1.00 0.00 N ATOM 517 CA ASP A 32 -10.329 8.674 -1.612 1.00 0.00 C ATOM 518 C ASP A 32 -9.162 7.839 -2.133 1.00 0.00 C ATOM 519 O ASP A 32 -9.358 6.835 -2.820 1.00 0.00 O ATOM 520 CB ASP A 32 -10.852 9.599 -2.713 1.00 0.00 C ATOM 521 CG ASP A 32 -12.359 9.523 -2.862 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.935 8.462 -2.540 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.964 10.524 -3.299 1.00 0.00 O ATOM 0 H ASP A 32 -10.028 10.464 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.127 7.996 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.563 10.626 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.382 9.335 -3.660 1.00 0.00 H new ATOM 528 N VAL A 33 -7.951 8.263 -1.796 1.00 0.00 N ATOM 529 CA VAL A 33 -6.742 7.569 -2.215 1.00 0.00 C ATOM 530 C VAL A 33 -6.431 6.407 -1.278 1.00 0.00 C ATOM 531 O VAL A 33 -6.482 5.245 -1.681 1.00 0.00 O ATOM 532 CB VAL A 33 -5.557 8.553 -2.266 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.232 7.873 -1.976 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.506 9.221 -3.619 1.00 0.00 C ATOM 0 H VAL A 33 -7.780 9.093 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.905 7.163 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.717 9.299 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.428 8.607 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.260 7.430 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.054 7.092 -2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.667 9.916 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.380 8.465 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.434 9.766 -3.791 1.00 0.00 H new ATOM 544 N ASP A 34 -6.121 6.721 -0.023 1.00 0.00 N ATOM 545 CA ASP A 34 -5.821 5.686 0.954 1.00 0.00 C ATOM 546 C ASP A 34 -7.039 4.782 1.133 1.00 0.00 C ATOM 547 O ASP A 34 -6.902 3.609 1.480 1.00 0.00 O ATOM 548 CB ASP A 34 -5.369 6.304 2.287 1.00 0.00 C ATOM 549 CG ASP A 34 -5.585 5.382 3.475 1.00 0.00 C ATOM 550 OD1 ASP A 34 -5.260 4.182 3.361 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.077 5.864 4.516 1.00 0.00 O ATOM 0 H ASP A 34 -6.072 7.674 0.336 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.993 5.078 0.589 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.312 6.561 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.913 7.234 2.453 1.00 0.00 H new ATOM 556 N ASN A 35 -8.232 5.318 0.846 1.00 0.00 N ATOM 557 CA ASN A 35 -9.451 4.523 0.933 1.00 0.00 C ATOM 558 C ASN A 35 -9.305 3.339 -0.007 1.00 0.00 C ATOM 559 O ASN A 35 -9.638 2.205 0.336 1.00 0.00 O ATOM 560 CB ASN A 35 -10.682 5.355 0.561 1.00 0.00 C ATOM 561 CG ASN A 35 -11.950 4.524 0.504 1.00 0.00 C ATOM 562 OD1 ASN A 35 -12.197 3.816 -0.472 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.760 4.608 1.552 1.00 0.00 N ATOM 0 H ASN A 35 -8.373 6.286 0.556 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.594 4.180 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.809 6.156 1.290 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.518 5.828 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.628 4.072 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.515 5.208 2.339 1.00 0.00 H new ATOM 570 N HIS A 36 -8.745 3.617 -1.182 1.00 0.00 N ATOM 571 CA HIS A 36 -8.481 2.583 -2.165 1.00 0.00 C ATOM 572 C HIS A 36 -7.450 1.640 -1.578 1.00 0.00 C ATOM 573 O HIS A 36 -7.608 0.420 -1.604 1.00 0.00 O ATOM 574 CB HIS A 36 -7.959 3.198 -3.467 1.00 0.00 C ATOM 575 CG HIS A 36 -8.816 2.896 -4.656 1.00 0.00 C ATOM 576 ND1 HIS A 36 -9.473 1.695 -4.826 1.00 0.00 N ATOM 577 CD2 HIS A 36 -9.123 3.646 -5.741 1.00 0.00 C ATOM 578 CE1 HIS A 36 -10.146 1.720 -5.963 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.950 2.893 -6.536 1.00 0.00 N ATOM 0 H HIS A 36 -8.467 4.554 -1.472 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.399 2.045 -2.400 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.888 4.279 -3.346 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.950 2.831 -3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.781 4.650 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.753 0.918 -6.356 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.349 3.191 -7.426 1.00 0.00 H new ATOM 588 N LEU A 37 -6.399 2.237 -1.016 1.00 0.00 N ATOM 589 CA LEU A 37 -5.330 1.477 -0.376 1.00 0.00 C ATOM 590 C LEU A 37 -5.897 0.483 0.636 1.00 0.00 C ATOM 591 O LEU A 37 -5.825 -0.728 0.439 1.00 0.00 O ATOM 592 CB LEU A 37 -4.367 2.425 0.336 1.00 0.00 C ATOM 593 CG LEU A 37 -2.973 1.862 0.628 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.991 0.343 0.731 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.995 2.312 -0.444 1.00 0.00 C ATOM 0 H LEU A 37 -6.267 3.248 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.798 0.926 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.256 3.323 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.819 2.732 1.279 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.649 2.251 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.984 -0.020 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.659 0.041 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.343 -0.081 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.006 1.907 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.330 1.952 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.946 3.401 -0.458 1.00 0.00 H new ATOM 607 N GLN A 38 -6.449 1.010 1.726 1.00 0.00 N ATOM 608 CA GLN A 38 -7.023 0.175 2.779 1.00 0.00 C ATOM 609 C GLN A 38 -7.918 -0.913 2.192 1.00 0.00 C ATOM 610 O GLN A 38 -7.878 -2.064 2.625 1.00 0.00 O ATOM 611 CB GLN A 38 -7.817 1.032 3.770 1.00 0.00 C ATOM 612 CG GLN A 38 -9.066 1.659 3.173 1.00 0.00 C ATOM 613 CD GLN A 38 -9.883 2.418 4.200 1.00 0.00 C ATOM 614 OE1 GLN A 38 -10.205 3.591 4.011 1.00 0.00 O ATOM 615 NE2 GLN A 38 -10.225 1.750 5.295 1.00 0.00 N ATOM 0 H GLN A 38 -6.511 2.012 1.904 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.201 -0.307 3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.103 0.415 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.171 1.823 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.779 2.337 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.683 0.879 2.728 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.937 0.778 5.411 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.776 2.208 6.021 1.00 0.00 H new ATOM 624 N ASN A 39 -8.715 -0.544 1.193 1.00 0.00 N ATOM 625 CA ASN A 39 -9.607 -1.497 0.542 1.00 0.00 C ATOM 626 C ASN A 39 -8.804 -2.647 -0.057 1.00 0.00 C ATOM 627 O ASN A 39 -9.307 -3.760 -0.206 1.00 0.00 O ATOM 628 CB ASN A 39 -10.428 -0.806 -0.548 1.00 0.00 C ATOM 629 CG ASN A 39 -11.855 -1.314 -0.606 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.149 -2.299 -1.283 1.00 0.00 O ATOM 631 ND2 ASN A 39 -12.752 -0.642 0.107 1.00 0.00 N ATOM 0 H ASN A 39 -8.761 0.404 0.818 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.291 -1.896 1.291 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.435 0.269 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.949 -0.964 -1.515 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.728 -0.937 0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.464 0.169 0.654 1.00 0.00 H new ATOM 638 N VAL A 40 -7.548 -2.368 -0.390 1.00 0.00 N ATOM 639 CA VAL A 40 -6.665 -3.374 -0.960 1.00 0.00 C ATOM 640 C VAL A 40 -6.280 -4.404 0.097 1.00 0.00 C ATOM 641 O VAL A 40 -6.439 -5.607 -0.105 1.00 0.00 O ATOM 642 CB VAL A 40 -5.381 -2.735 -1.530 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.591 -3.744 -2.347 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.716 -1.512 -2.370 1.00 0.00 C ATOM 0 H VAL A 40 -7.119 -1.450 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.206 -3.862 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.762 -2.416 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.691 -3.270 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.312 -4.586 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.203 -4.100 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.797 -1.077 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.361 -1.805 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.231 -0.776 -1.752 1.00 0.00 H new ATOM 654 N ILE A 41 -5.775 -3.917 1.229 1.00 0.00 N ATOM 655 CA ILE A 41 -5.362 -4.785 2.331 1.00 0.00 C ATOM 656 C ILE A 41 -6.414 -5.856 2.627 1.00 0.00 C ATOM 657 O ILE A 41 -6.075 -7.000 2.927 1.00 0.00 O ATOM 658 CB ILE A 41 -5.079 -3.961 3.611 1.00 0.00 C ATOM 659 CG1 ILE A 41 -3.705 -3.294 3.518 1.00 0.00 C ATOM 660 CG2 ILE A 41 -5.154 -4.835 4.858 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.615 -2.238 2.439 1.00 0.00 C ATOM 0 H ILE A 41 -5.641 -2.922 1.408 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.443 -5.282 2.020 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.846 -3.190 3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.465 -2.840 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.951 -4.059 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.951 -4.228 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.150 -5.270 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.415 -5.633 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.613 -1.809 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.823 -2.690 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.344 -1.453 2.637 1.00 0.00 H new ATOM 673 N GLU A 42 -7.686 -5.483 2.545 1.00 0.00 N ATOM 674 CA GLU A 42 -8.770 -6.425 2.809 1.00 0.00 C ATOM 675 C GLU A 42 -8.908 -7.419 1.673 1.00 0.00 C ATOM 676 O GLU A 42 -9.323 -8.558 1.881 1.00 0.00 O ATOM 677 CB GLU A 42 -10.090 -5.683 3.042 1.00 0.00 C ATOM 678 CG GLU A 42 -10.647 -5.006 1.800 1.00 0.00 C ATOM 679 CD GLU A 42 -12.162 -5.029 1.754 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.755 -6.017 2.235 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.755 -4.059 1.236 1.00 0.00 O ATOM 0 H GLU A 42 -7.992 -4.541 2.300 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.525 -6.977 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.829 -6.389 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.940 -4.931 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.302 -3.973 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.253 -5.501 0.913 1.00 0.00 H new ATOM 688 N ASP A 43 -8.539 -6.995 0.477 1.00 0.00 N ATOM 689 CA ASP A 43 -8.605 -7.870 -0.674 1.00 0.00 C ATOM 690 C ASP A 43 -7.350 -8.725 -0.743 1.00 0.00 C ATOM 691 O ASP A 43 -7.381 -9.838 -1.255 1.00 0.00 O ATOM 692 CB ASP A 43 -8.770 -7.060 -1.962 1.00 0.00 C ATOM 693 CG ASP A 43 -10.223 -6.751 -2.267 1.00 0.00 C ATOM 694 OD1 ASP A 43 -11.031 -6.698 -1.318 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.550 -6.558 -3.457 1.00 0.00 O ATOM 0 H ASP A 43 -8.193 -6.056 0.281 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.474 -8.520 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.213 -6.127 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.336 -7.614 -2.795 1.00 0.00 H new ATOM 700 N ILE A 44 -6.249 -8.196 -0.214 1.00 0.00 N ATOM 701 CA ILE A 44 -4.982 -8.915 -0.210 1.00 0.00 C ATOM 702 C ILE A 44 -4.865 -9.826 1.007 1.00 0.00 C ATOM 703 O ILE A 44 -4.587 -11.017 0.875 1.00 0.00 O ATOM 704 CB ILE A 44 -3.784 -7.944 -0.237 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.936 -6.950 -1.387 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.475 -8.706 -0.370 1.00 0.00 C ATOM 707 CD1 ILE A 44 -2.782 -5.980 -1.505 1.00 0.00 C ATOM 0 H ILE A 44 -6.211 -7.272 0.217 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.963 -9.525 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.766 -7.395 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.033 -7.501 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.860 -6.388 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.644 -8.001 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.360 -9.382 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.482 -9.282 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.958 -5.305 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.697 -5.402 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.858 -6.533 -1.673 1.00 0.00 H new ATOM 719 N HIS A 45 -5.077 -9.262 2.191 1.00 0.00 N ATOM 720 CA HIS A 45 -4.990 -10.038 3.421 1.00 0.00 C ATOM 721 C HIS A 45 -6.057 -11.132 3.447 1.00 0.00 C ATOM 722 O HIS A 45 -5.878 -12.168 4.088 1.00 0.00 O ATOM 723 CB HIS A 45 -5.114 -9.120 4.648 1.00 0.00 C ATOM 724 CG HIS A 45 -6.494 -9.048 5.230 1.00 0.00 C ATOM 725 ND1 HIS A 45 -7.699 -8.927 4.629 1.00 0.00 N flip ATOM 726 CD2 HIS A 45 -6.745 -9.104 6.584 1.00 0.00 C flip ATOM 727 CE1 HIS A 45 -8.649 -8.914 5.620 1.00 0.00 C flip ATOM 728 NE2 HIS A 45 -8.047 -9.023 6.791 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.309 -8.278 2.324 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.013 -10.520 3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.426 -9.468 5.418 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.798 -8.115 4.368 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.995 -9.199 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.715 -8.829 5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.509 -9.041 7.700 1.00 0.00 H new ATOM 737 N ASP A 46 -7.164 -10.902 2.741 1.00 0.00 N ATOM 738 CA ASP A 46 -8.242 -11.880 2.686 1.00 0.00 C ATOM 739 C ASP A 46 -7.980 -12.880 1.574 1.00 0.00 C ATOM 740 O ASP A 46 -8.276 -14.068 1.706 1.00 0.00 O ATOM 741 CB ASP A 46 -9.587 -11.187 2.465 1.00 0.00 C ATOM 742 CG ASP A 46 -10.761 -12.125 2.670 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.092 -12.875 1.727 1.00 0.00 O ATOM 744 OD2 ASP A 46 -11.348 -12.109 3.771 1.00 0.00 O ATOM 0 H ASP A 46 -7.334 -10.052 2.204 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.280 -12.409 3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.675 -10.344 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.622 -10.781 1.454 1.00 0.00 H new ATOM 749 N PHE A 47 -7.420 -12.388 0.476 1.00 0.00 N ATOM 750 CA PHE A 47 -7.113 -13.248 -0.668 1.00 0.00 C ATOM 751 C PHE A 47 -5.898 -14.128 -0.389 1.00 0.00 C ATOM 752 O PHE A 47 -5.889 -15.311 -0.728 1.00 0.00 O ATOM 753 CB PHE A 47 -6.863 -12.419 -1.927 1.00 0.00 C ATOM 754 CG PHE A 47 -8.120 -12.069 -2.675 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.267 -11.690 -1.996 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.150 -12.119 -4.059 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.422 -11.369 -2.684 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.302 -11.798 -4.753 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.439 -11.422 -4.065 1.00 0.00 C ATOM 0 H PHE A 47 -7.170 -11.407 0.350 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.980 -13.888 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.347 -11.500 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.197 -12.972 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.258 -11.645 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.264 -12.412 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.310 -11.077 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.313 -11.841 -5.832 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.340 -11.170 -4.605 1.00 0.00 H new ATOM 769 N MET A 48 -4.873 -13.545 0.226 1.00 0.00 N ATOM 770 CA MET A 48 -3.651 -14.280 0.543 1.00 0.00 C ATOM 771 C MET A 48 -3.960 -15.575 1.293 1.00 0.00 C ATOM 772 O MET A 48 -3.172 -16.520 1.264 1.00 0.00 O ATOM 773 CB MET A 48 -2.706 -13.408 1.373 1.00 0.00 C ATOM 774 CG MET A 48 -3.232 -13.085 2.761 1.00 0.00 C ATOM 775 SD MET A 48 -2.016 -12.226 3.778 1.00 0.00 S ATOM 776 CE MET A 48 -1.469 -10.953 2.645 1.00 0.00 C ATOM 0 H MET A 48 -4.864 -12.567 0.515 1.00 0.00 H new ATOM 0 HA MET A 48 -3.165 -14.540 -0.398 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.746 -13.916 1.467 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.522 -12.476 0.838 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.127 -12.469 2.673 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.529 -14.009 3.258 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.807 -10.262 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.933 -11.411 1.814 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.333 -10.409 2.264 1.00 0.00 H new ATOM 786 N GLN A 49 -5.109 -15.613 1.962 1.00 0.00 N ATOM 787 CA GLN A 49 -5.511 -16.796 2.714 1.00 0.00 C ATOM 788 C GLN A 49 -6.294 -17.777 1.840 1.00 0.00 C ATOM 789 O GLN A 49 -6.857 -18.750 2.342 1.00 0.00 O ATOM 790 CB GLN A 49 -6.352 -16.393 3.927 1.00 0.00 C ATOM 791 CG GLN A 49 -5.526 -15.901 5.104 1.00 0.00 C ATOM 792 CD GLN A 49 -6.307 -15.898 6.404 1.00 0.00 C ATOM 793 OE1 GLN A 49 -7.536 -15.966 6.403 1.00 0.00 O ATOM 794 NE2 GLN A 49 -5.596 -15.817 7.522 1.00 0.00 N ATOM 0 H GLN A 49 -5.775 -14.841 1.998 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.604 -17.296 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.050 -15.610 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.949 -17.248 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.645 -16.534 5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.169 -14.892 4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.578 -15.762 7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.067 -15.809 8.427 1.00 0.00 H new ATOM 803 N GLY A 50 -6.326 -17.522 0.534 1.00 0.00 N ATOM 804 CA GLY A 50 -7.041 -18.402 -0.375 1.00 0.00 C ATOM 805 C GLY A 50 -8.279 -17.759 -0.971 1.00 0.00 C ATOM 806 O GLY A 50 -9.177 -18.454 -1.445 1.00 0.00 O ATOM 0 H GLY A 50 -5.871 -16.724 0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.372 -18.705 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.329 -19.308 0.157 1.00 0.00 H new ATOM 810 N GLY A 51 -8.331 -16.430 -0.950 1.00 0.00 N ATOM 811 CA GLY A 51 -9.476 -15.727 -1.498 1.00 0.00 C ATOM 812 C GLY A 51 -9.250 -15.262 -2.924 1.00 0.00 C ATOM 813 O GLY A 51 -9.848 -14.281 -3.365 1.00 0.00 O ATOM 0 H GLY A 51 -7.602 -15.829 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.347 -16.381 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.702 -14.865 -0.871 1.00 0.00 H new ATOM 817 N GLY A 52 -8.386 -15.969 -3.648 1.00 0.00 N ATOM 818 CA GLY A 52 -8.102 -15.606 -5.026 1.00 0.00 C ATOM 819 C GLY A 52 -6.822 -14.807 -5.166 1.00 0.00 C ATOM 820 O GLY A 52 -6.692 -13.984 -6.073 1.00 0.00 O ATOM 0 H GLY A 52 -7.879 -16.785 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.029 -16.511 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.934 -15.025 -5.424 1.00 0.00 H new ATOM 824 N SER A 53 -5.873 -15.051 -4.268 1.00 0.00 N ATOM 825 CA SER A 53 -4.594 -14.348 -4.290 1.00 0.00 C ATOM 826 C SER A 53 -3.777 -14.708 -5.533 1.00 0.00 C ATOM 827 O SER A 53 -2.787 -14.045 -5.843 1.00 0.00 O ATOM 828 CB SER A 53 -3.794 -14.667 -3.025 1.00 0.00 C ATOM 829 OG SER A 53 -3.446 -13.480 -2.331 1.00 0.00 O ATOM 0 H SER A 53 -5.965 -15.732 -3.514 1.00 0.00 H new ATOM 0 HA SER A 53 -4.802 -13.279 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.380 -15.315 -2.373 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.890 -15.216 -3.291 1.00 0.00 H new ATOM 0 HG SER A 53 -3.266 -12.765 -2.976 1.00 0.00 H new ATOM 835 N GLY A 54 -4.191 -15.756 -6.239 1.00 0.00 N ATOM 836 CA GLY A 54 -3.475 -16.173 -7.432 1.00 0.00 C ATOM 837 C GLY A 54 -3.877 -15.381 -8.662 1.00 0.00 C ATOM 838 O GLY A 54 -4.545 -15.904 -9.554 1.00 0.00 O ATOM 0 H GLY A 54 -5.007 -16.323 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.404 -16.060 -7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.660 -17.232 -7.610 1.00 0.00 H new ATOM 842 N GLY A 55 -3.465 -14.117 -8.712 1.00 0.00 N ATOM 843 CA GLY A 55 -3.793 -13.274 -9.849 1.00 0.00 C ATOM 844 C GLY A 55 -4.357 -11.924 -9.438 1.00 0.00 C ATOM 845 O GLY A 55 -4.528 -11.038 -10.273 1.00 0.00 O ATOM 0 H GLY A 55 -2.911 -13.662 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.898 -13.120 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.518 -13.789 -10.480 1.00 0.00 H new ATOM 849 N LYS A 56 -4.653 -11.772 -8.153 1.00 0.00 N ATOM 850 CA LYS A 56 -5.206 -10.526 -7.632 1.00 0.00 C ATOM 851 C LYS A 56 -4.103 -9.560 -7.223 1.00 0.00 C ATOM 852 O LYS A 56 -4.254 -8.345 -7.349 1.00 0.00 O ATOM 853 CB LYS A 56 -6.111 -10.824 -6.434 1.00 0.00 C ATOM 854 CG LYS A 56 -6.868 -9.613 -5.915 1.00 0.00 C ATOM 855 CD LYS A 56 -6.066 -8.846 -4.874 1.00 0.00 C ATOM 856 CE LYS A 56 -5.989 -9.594 -3.555 1.00 0.00 C ATOM 857 NZ LYS A 56 -4.892 -10.600 -3.543 1.00 0.00 N ATOM 0 H LYS A 56 -4.519 -12.498 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.790 -10.055 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.828 -11.594 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.504 -11.234 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.109 -8.952 -6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.814 -9.935 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.058 -8.669 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.522 -7.869 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.836 -8.882 -2.744 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.939 -10.093 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.359 -10.522 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.296 -11.555 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.253 -10.427 -4.345 1.00 0.00 H new ATOM 871 N LEU A 57 -3.002 -10.099 -6.719 1.00 0.00 N ATOM 872 CA LEU A 57 -1.889 -9.270 -6.278 1.00 0.00 C ATOM 873 C LEU A 57 -1.239 -8.522 -7.439 1.00 0.00 C ATOM 874 O LEU A 57 -0.426 -7.632 -7.221 1.00 0.00 O ATOM 875 CB LEU A 57 -0.840 -10.120 -5.551 1.00 0.00 C ATOM 876 CG LEU A 57 -0.658 -9.826 -4.054 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.802 -8.338 -3.756 1.00 0.00 C ATOM 878 CD2 LEU A 57 -1.651 -10.631 -3.233 1.00 0.00 C ATOM 0 H LEU A 57 -2.856 -11.102 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.293 -8.529 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.109 -11.170 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.120 -9.981 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 57 0.353 -10.123 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.667 -8.166 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.047 -7.781 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.795 -8.001 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.510 -10.412 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.666 -10.364 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.490 -11.695 -3.408 1.00 0.00 H new ATOM 890 N GLN A 58 -1.580 -8.880 -8.672 1.00 0.00 N ATOM 891 CA GLN A 58 -0.994 -8.210 -9.828 1.00 0.00 C ATOM 892 C GLN A 58 -1.775 -6.953 -10.203 1.00 0.00 C ATOM 893 O GLN A 58 -1.192 -5.883 -10.379 1.00 0.00 O ATOM 894 CB GLN A 58 -0.904 -9.164 -11.023 1.00 0.00 C ATOM 895 CG GLN A 58 -2.249 -9.510 -11.638 1.00 0.00 C ATOM 896 CD GLN A 58 -2.193 -10.755 -12.501 1.00 0.00 C ATOM 897 OE1 GLN A 58 -1.117 -11.289 -12.771 1.00 0.00 O ATOM 898 NE2 GLN A 58 -3.356 -11.224 -12.938 1.00 0.00 N ATOM 0 H GLN A 58 -2.248 -9.618 -8.896 1.00 0.00 H new ATOM 0 HA GLN A 58 0.015 -7.904 -9.552 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.271 -8.714 -11.788 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.414 -10.084 -10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.981 -9.656 -10.843 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.596 -8.670 -12.240 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.224 -10.749 -12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.382 -12.060 -13.522 1.00 0.00 H new ATOM 907 N GLU A 59 -3.091 -7.084 -10.327 1.00 0.00 N ATOM 908 CA GLU A 59 -3.935 -5.951 -10.684 1.00 0.00 C ATOM 909 C GLU A 59 -4.319 -5.153 -9.447 1.00 0.00 C ATOM 910 O GLU A 59 -4.507 -3.939 -9.513 1.00 0.00 O ATOM 911 CB GLU A 59 -5.194 -6.430 -11.411 1.00 0.00 C ATOM 912 CG GLU A 59 -4.926 -6.948 -12.815 1.00 0.00 C ATOM 913 CD GLU A 59 -6.203 -7.220 -13.588 1.00 0.00 C ATOM 914 OE1 GLU A 59 -7.190 -7.666 -12.966 1.00 0.00 O ATOM 915 OE2 GLU A 59 -6.214 -6.988 -14.815 1.00 0.00 O ATOM 0 H GLU A 59 -3.594 -7.960 -10.186 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.367 -5.303 -11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.664 -7.220 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.907 -5.607 -11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.324 -6.220 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.339 -7.865 -12.755 1.00 0.00 H new ATOM 922 N MET A 60 -4.432 -5.840 -8.317 1.00 0.00 N ATOM 923 CA MET A 60 -4.789 -5.185 -7.069 1.00 0.00 C ATOM 924 C MET A 60 -3.590 -4.462 -6.473 1.00 0.00 C ATOM 925 O MET A 60 -3.741 -3.418 -5.839 1.00 0.00 O ATOM 926 CB MET A 60 -5.334 -6.195 -6.062 1.00 0.00 C ATOM 927 CG MET A 60 -5.950 -5.548 -4.832 1.00 0.00 C ATOM 928 SD MET A 60 -7.752 -5.524 -4.886 1.00 0.00 S ATOM 929 CE MET A 60 -8.040 -4.052 -5.866 1.00 0.00 C ATOM 0 H MET A 60 -4.282 -6.846 -8.241 1.00 0.00 H new ATOM 0 HA MET A 60 -5.566 -4.453 -7.291 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.084 -6.816 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.527 -6.857 -5.749 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.625 -6.087 -3.942 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.580 -4.527 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.068 -3.718 -5.728 1.00 0.00 H new ATOM 0 HE2 MET A 60 -7.357 -3.264 -5.548 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.870 -4.277 -6.919 1.00 0.00 H new ATOM 939 N MET A 61 -2.394 -5.014 -6.677 1.00 0.00 N ATOM 940 CA MET A 61 -1.184 -4.390 -6.145 1.00 0.00 C ATOM 941 C MET A 61 -1.072 -2.946 -6.622 1.00 0.00 C ATOM 942 O MET A 61 -0.671 -2.061 -5.867 1.00 0.00 O ATOM 943 CB MET A 61 0.061 -5.182 -6.557 1.00 0.00 C ATOM 944 CG MET A 61 1.366 -4.416 -6.407 1.00 0.00 C ATOM 945 SD MET A 61 2.023 -3.840 -7.984 1.00 0.00 S ATOM 946 CE MET A 61 2.839 -5.322 -8.572 1.00 0.00 C ATOM 0 H MET A 61 -2.238 -5.877 -7.198 1.00 0.00 H new ATOM 0 HA MET A 61 -1.251 -4.394 -5.057 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.115 -6.090 -5.957 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.047 -5.493 -7.596 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.206 -3.560 -5.751 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.104 -5.056 -5.923 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.296 -5.125 -9.542 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.610 -5.619 -7.861 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.108 -6.125 -8.671 1.00 0.00 H new ATOM 956 N LYS A 62 -1.436 -2.714 -7.878 1.00 0.00 N ATOM 957 CA LYS A 62 -1.382 -1.376 -8.449 1.00 0.00 C ATOM 958 C LYS A 62 -2.346 -0.436 -7.730 1.00 0.00 C ATOM 959 O LYS A 62 -2.233 0.784 -7.844 1.00 0.00 O ATOM 960 CB LYS A 62 -1.716 -1.423 -9.942 1.00 0.00 C ATOM 961 CG LYS A 62 -1.104 -0.279 -10.738 1.00 0.00 C ATOM 962 CD LYS A 62 -2.159 0.491 -11.516 1.00 0.00 C ATOM 963 CE LYS A 62 -2.194 0.069 -12.976 1.00 0.00 C ATOM 964 NZ LYS A 62 -2.873 1.082 -13.831 1.00 0.00 N ATOM 0 H LYS A 62 -1.771 -3.434 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.369 -0.995 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.367 -2.370 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.799 -1.402 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.584 0.399 -10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.358 -0.674 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.138 0.326 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.954 1.559 -11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.176 -0.084 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.711 -0.887 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.876 0.757 -14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.852 1.210 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.365 1.987 -13.766 1.00 0.00 H new ATOM 978 N GLU A 63 -3.298 -1.006 -6.995 1.00 0.00 N ATOM 979 CA GLU A 63 -4.279 -0.206 -6.271 1.00 0.00 C ATOM 980 C GLU A 63 -3.703 0.358 -4.975 1.00 0.00 C ATOM 981 O GLU A 63 -4.087 1.447 -4.546 1.00 0.00 O ATOM 982 CB GLU A 63 -5.533 -1.027 -5.968 1.00 0.00 C ATOM 983 CG GLU A 63 -6.817 -0.231 -6.109 1.00 0.00 C ATOM 984 CD GLU A 63 -7.685 -0.714 -7.255 1.00 0.00 C ATOM 985 OE1 GLU A 63 -7.260 -0.572 -8.421 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.787 -1.236 -6.986 1.00 0.00 O ATOM 0 H GLU A 63 -3.410 -2.014 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.548 0.631 -6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.569 -1.885 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.466 -1.420 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.382 -0.294 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.573 0.820 -6.262 1.00 0.00 H new ATOM 993 N PHE A 64 -2.776 -0.369 -4.354 1.00 0.00 N ATOM 994 CA PHE A 64 -2.163 0.096 -3.123 1.00 0.00 C ATOM 995 C PHE A 64 -0.959 0.976 -3.451 1.00 0.00 C ATOM 996 O PHE A 64 -0.572 1.844 -2.669 1.00 0.00 O ATOM 997 CB PHE A 64 -1.792 -1.095 -2.223 1.00 0.00 C ATOM 998 CG PHE A 64 -0.439 -1.693 -2.476 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.711 -1.038 -2.073 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.325 -2.926 -3.095 1.00 0.00 C ATOM 1001 CE1 PHE A 64 1.952 -1.603 -2.286 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.913 -3.493 -3.313 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.054 -2.831 -2.906 1.00 0.00 C ATOM 0 H PHE A 64 -2.439 -1.274 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.875 0.703 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.840 -0.772 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.545 -1.873 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.637 -0.076 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.215 -3.450 -3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.844 -1.084 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.990 -4.453 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.025 -3.274 -3.073 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.394 0.760 -4.635 1.00 0.00 N ATOM 1014 CA GLN A 65 0.740 1.545 -5.102 1.00 0.00 C ATOM 1015 C GLN A 65 0.255 2.855 -5.719 1.00 0.00 C ATOM 1016 O GLN A 65 0.924 3.884 -5.627 1.00 0.00 O ATOM 1017 CB GLN A 65 1.554 0.751 -6.126 1.00 0.00 C ATOM 1018 CG GLN A 65 3.018 1.155 -6.185 1.00 0.00 C ATOM 1019 CD GLN A 65 3.480 1.473 -7.594 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.217 0.720 -8.531 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.174 2.595 -7.750 1.00 0.00 N ATOM 0 H GLN A 65 -0.706 0.044 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 65 1.380 1.772 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.488 -0.310 -5.886 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.109 0.883 -7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.176 2.026 -5.550 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.630 0.349 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.369 3.190 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.512 2.861 -8.675 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.918 2.802 -6.351 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.508 3.978 -6.990 1.00 0.00 C ATOM 1032 C GLN A 66 -1.645 5.126 -5.996 1.00 0.00 C ATOM 1033 O GLN A 66 -1.422 6.286 -6.340 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.875 3.633 -7.585 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.580 4.820 -8.222 1.00 0.00 C ATOM 1036 CD GLN A 66 -5.033 4.531 -8.544 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.356 3.503 -9.139 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.918 5.439 -8.150 1.00 0.00 N ATOM 0 H GLN A 66 -1.479 1.954 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.843 4.295 -7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.749 2.851 -8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.510 3.222 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.524 5.675 -7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.058 5.100 -9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.605 6.277 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.911 5.299 -8.338 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.003 4.795 -4.761 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.155 5.798 -3.712 1.00 0.00 C ATOM 1049 C VAL A 67 -0.907 6.672 -3.631 1.00 0.00 C ATOM 1050 O VAL A 67 -0.993 7.896 -3.535 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.408 5.124 -2.345 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.021 6.040 -1.190 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.859 4.681 -2.228 1.00 0.00 C ATOM 0 H VAL A 67 -2.194 3.839 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.014 6.422 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.773 4.240 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.212 5.533 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.962 6.288 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.612 6.955 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.018 4.209 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.513 5.548 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.087 3.968 -3.021 1.00 0.00 H new ATOM 1063 N LEU A 68 0.252 6.027 -3.684 1.00 0.00 N ATOM 1064 CA LEU A 68 1.524 6.731 -3.633 1.00 0.00 C ATOM 1065 C LEU A 68 1.745 7.558 -4.903 1.00 0.00 C ATOM 1066 O LEU A 68 2.691 8.338 -4.983 1.00 0.00 O ATOM 1067 CB LEU A 68 2.656 5.733 -3.417 1.00 0.00 C ATOM 1068 CG LEU A 68 3.026 5.526 -1.946 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.321 4.302 -1.371 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.536 5.405 -1.789 1.00 0.00 C ATOM 0 H LEU A 68 0.335 5.013 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 68 1.510 7.426 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.369 4.774 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.538 6.075 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 68 2.690 6.398 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.602 4.178 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.242 4.436 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.615 3.415 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.782 5.258 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.895 4.554 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.013 6.316 -2.150 1.00 0.00 H new ATOM 1082 N ASP A 69 0.849 7.405 -5.885 1.00 0.00 N ATOM 1083 CA ASP A 69 0.934 8.166 -7.128 1.00 0.00 C ATOM 1084 C ASP A 69 0.465 9.594 -6.873 1.00 0.00 C ATOM 1085 O ASP A 69 1.231 10.545 -7.024 1.00 0.00 O ATOM 1086 CB ASP A 69 0.085 7.516 -8.221 1.00 0.00 C ATOM 1087 CG ASP A 69 0.484 7.970 -9.611 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.674 7.826 -9.963 1.00 0.00 O ATOM 1089 OD2 ASP A 69 -0.392 8.467 -10.348 1.00 0.00 O ATOM 0 H ASP A 69 0.059 6.761 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 69 1.969 8.177 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.180 6.432 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.965 7.755 -8.051 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.790 9.731 -6.433 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.349 11.042 -6.096 1.00 0.00 C ATOM 1096 C GLU A 70 -0.364 11.772 -5.206 1.00 0.00 C ATOM 1097 O GLU A 70 -0.133 12.975 -5.326 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.664 10.867 -5.324 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.652 12.000 -5.517 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.757 11.652 -6.495 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.573 11.892 -7.707 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -5.805 11.140 -6.051 1.00 0.00 O ATOM 0 H GLU A 70 -1.435 8.952 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.535 11.603 -7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.133 9.934 -5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.439 10.773 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.093 12.260 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.121 12.883 -5.874 1.00 0.00 H new ATOM 1109 N LEU A 71 0.195 10.986 -4.306 1.00 0.00 N ATOM 1110 CA LEU A 71 1.160 11.433 -3.327 1.00 0.00 C ATOM 1111 C LEU A 71 2.506 11.772 -3.963 1.00 0.00 C ATOM 1112 O LEU A 71 2.912 12.933 -3.992 1.00 0.00 O ATOM 1113 CB LEU A 71 1.305 10.311 -2.312 1.00 0.00 C ATOM 1114 CG LEU A 71 2.489 10.406 -1.369 1.00 0.00 C ATOM 1115 CD1 LEU A 71 2.013 10.706 0.040 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.266 9.108 -1.407 1.00 0.00 C ATOM 0 H LEU A 71 -0.018 9.991 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 71 0.816 12.352 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.394 10.271 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.373 9.367 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 71 3.142 11.219 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.872 10.772 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.474 11.653 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.351 9.909 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.118 9.174 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.619 8.287 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.622 8.927 -2.421 1.00 0.00 H new ATOM 1128 N ASN A 72 3.199 10.753 -4.460 1.00 0.00 N ATOM 1129 CA ASN A 72 4.506 10.942 -5.084 1.00 0.00 C ATOM 1130 C ASN A 72 4.461 12.037 -6.148 1.00 0.00 C ATOM 1131 O ASN A 72 5.472 12.675 -6.438 1.00 0.00 O ATOM 1132 CB ASN A 72 4.993 9.632 -5.706 1.00 0.00 C ATOM 1133 CG ASN A 72 6.454 9.690 -6.108 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.234 10.458 -5.544 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.831 8.876 -7.086 1.00 0.00 N ATOM 0 H ASN A 72 2.877 9.785 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 72 5.204 11.252 -4.306 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.847 8.819 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.387 9.402 -6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.802 8.870 -7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.150 8.256 -7.525 1.00 0.00 H new ATOM 1142 N ASN A 73 3.281 12.252 -6.721 1.00 0.00 N ATOM 1143 CA ASN A 73 3.110 13.274 -7.746 1.00 0.00 C ATOM 1144 C ASN A 73 2.781 14.631 -7.126 1.00 0.00 C ATOM 1145 O ASN A 73 2.435 15.576 -7.835 1.00 0.00 O ATOM 1146 CB ASN A 73 2.003 12.866 -8.720 1.00 0.00 C ATOM 1147 CG ASN A 73 1.936 13.774 -9.933 1.00 0.00 C ATOM 1148 OD1 ASN A 73 1.041 14.755 -9.890 1.00 0.00 O flip ATOM 1149 ND2 ASN A 73 2.679 13.595 -10.897 1.00 0.00 N flip ATOM 0 H ASN A 73 2.432 11.734 -6.494 1.00 0.00 H new ATOM 0 HA ASN A 73 4.052 13.365 -8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.170 11.840 -9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.044 12.883 -8.203 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.352 12.828 -10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.622 14.213 -11.706 1.00 0.00 H new ATOM 1156 N HIS A 74 2.887 14.727 -5.801 1.00 0.00 N ATOM 1157 CA HIS A 74 2.592 15.974 -5.105 1.00 0.00 C ATOM 1158 C HIS A 74 3.253 16.025 -3.737 1.00 0.00 C ATOM 1159 O HIS A 74 2.700 16.596 -2.799 1.00 0.00 O ATOM 1160 CB HIS A 74 1.082 16.157 -4.964 1.00 0.00 C ATOM 1161 CG HIS A 74 0.452 16.851 -6.131 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.926 18.039 -6.646 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.622 16.517 -6.886 1.00 0.00 C ATOM 1164 CE1 HIS A 74 0.172 18.406 -7.667 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.774 17.500 -7.833 1.00 0.00 N ATOM 0 H HIS A 74 3.173 13.960 -5.193 1.00 0.00 H new ATOM 0 HA HIS A 74 3.000 16.789 -5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.616 15.180 -4.838 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.876 16.727 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.243 15.641 -6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.307 19.296 -8.264 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.500 17.526 -8.549 1.00 0.00 H new ATOM 1174 N LEU A 75 4.454 15.458 -3.632 1.00 0.00 N ATOM 1175 CA LEU A 75 5.195 15.484 -2.374 1.00 0.00 C ATOM 1176 C LEU A 75 5.328 16.928 -1.912 1.00 0.00 C ATOM 1177 O LEU A 75 6.287 17.616 -2.261 1.00 0.00 O ATOM 1178 CB LEU A 75 6.585 14.872 -2.561 1.00 0.00 C ATOM 1179 CG LEU A 75 6.876 13.622 -1.727 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.276 13.746 -0.334 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.350 12.380 -2.427 1.00 0.00 C ATOM 0 H LEU A 75 4.931 14.979 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 75 4.658 14.900 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.713 14.622 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.331 15.629 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 75 7.957 13.528 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.497 12.845 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.705 14.611 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.196 13.870 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.566 11.501 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.273 12.469 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.834 12.277 -3.398 1.00 0.00 H new ATOM 1193 N GLN A 76 4.341 17.388 -1.159 1.00 0.00 N ATOM 1194 CA GLN A 76 4.319 18.761 -0.679 1.00 0.00 C ATOM 1195 C GLN A 76 5.489 19.041 0.260 1.00 0.00 C ATOM 1196 O GLN A 76 5.303 19.231 1.462 1.00 0.00 O ATOM 1197 CB GLN A 76 2.996 19.054 0.031 1.00 0.00 C ATOM 1198 CG GLN A 76 2.871 20.489 0.516 1.00 0.00 C ATOM 1199 CD GLN A 76 2.039 21.349 -0.416 1.00 0.00 C ATOM 1200 OE1 GLN A 76 2.126 21.224 -1.637 1.00 0.00 O ATOM 1201 NE2 GLN A 76 1.229 22.230 0.158 1.00 0.00 N ATOM 0 H GLN A 76 3.541 16.827 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 76 4.415 19.417 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.172 18.836 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.893 18.381 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.421 20.495 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.866 20.923 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.189 22.299 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.646 22.838 -0.418 1.00 0.00 H new ATOM 1210 N GLY A 77 6.694 19.065 -0.295 1.00 0.00 N ATOM 1211 CA GLY A 77 7.878 19.323 0.504 1.00 0.00 C ATOM 1212 C GLY A 77 8.031 18.337 1.645 1.00 0.00 C ATOM 1213 O GLY A 77 8.573 18.676 2.698 1.00 0.00 O ATOM 0 H GLY A 77 6.874 18.910 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.761 19.276 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.828 20.335 0.906 1.00 0.00 H new ATOM 1217 N GLY A 78 7.553 17.115 1.437 1.00 0.00 N ATOM 1218 CA GLY A 78 7.648 16.097 2.464 1.00 0.00 C ATOM 1219 C GLY A 78 8.211 14.791 1.939 1.00 0.00 C ATOM 1220 O GLY A 78 7.760 13.714 2.321 1.00 0.00 O ATOM 0 H GLY A 78 7.101 16.812 0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.280 16.461 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.659 15.919 2.886 1.00 0.00 H new ATOM 1224 N LYS A 79 9.203 14.888 1.058 1.00 0.00 N ATOM 1225 CA LYS A 79 9.831 13.705 0.478 1.00 0.00 C ATOM 1226 C LYS A 79 10.223 12.701 1.558 1.00 0.00 C ATOM 1227 O LYS A 79 10.207 11.494 1.328 1.00 0.00 O ATOM 1228 CB LYS A 79 11.066 14.102 -0.332 1.00 0.00 C ATOM 1229 CG LYS A 79 10.820 15.259 -1.288 1.00 0.00 C ATOM 1230 CD LYS A 79 11.735 16.437 -0.989 1.00 0.00 C ATOM 1231 CE LYS A 79 11.009 17.524 -0.214 1.00 0.00 C ATOM 1232 NZ LYS A 79 11.707 18.835 -0.311 1.00 0.00 N ATOM 0 H LYS A 79 9.589 15.773 0.730 1.00 0.00 H new ATOM 0 HA LYS A 79 9.104 13.232 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.869 14.373 0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.410 13.238 -0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.979 14.925 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.780 15.577 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.596 16.094 -0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.117 16.848 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.993 17.625 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.929 17.232 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.180 19.550 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.668 18.746 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.761 19.127 -1.308 1.00 0.00 H new ATOM 1246 N HIS A 80 10.575 13.212 2.734 1.00 0.00 N ATOM 1247 CA HIS A 80 10.974 12.360 3.850 1.00 0.00 C ATOM 1248 C HIS A 80 9.825 11.460 4.293 1.00 0.00 C ATOM 1249 O HIS A 80 10.044 10.337 4.749 1.00 0.00 O ATOM 1250 CB HIS A 80 11.451 13.214 5.027 1.00 0.00 C ATOM 1251 CG HIS A 80 12.242 12.446 6.039 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.782 12.180 7.311 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.471 11.882 5.960 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.693 11.486 7.971 1.00 0.00 C ATOM 1255 NE2 HIS A 80 13.726 11.292 7.173 1.00 0.00 N ATOM 0 H HIS A 80 10.592 14.211 2.939 1.00 0.00 H new ATOM 0 HA HIS A 80 11.794 11.727 3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.060 14.034 4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.585 13.660 5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 80 14.128 11.894 5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.607 11.137 8.989 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.577 10.785 7.418 1.00 0.00 H new ATOM 1264 N THR A 81 8.601 11.954 4.147 1.00 0.00 N ATOM 1265 CA THR A 81 7.418 11.191 4.523 1.00 0.00 C ATOM 1266 C THR A 81 7.257 9.999 3.599 1.00 0.00 C ATOM 1267 O THR A 81 7.501 8.859 3.991 1.00 0.00 O ATOM 1268 CB THR A 81 6.181 12.092 4.467 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.090 12.879 5.641 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.866 11.348 4.310 1.00 0.00 C ATOM 0 H THR A 81 8.402 12.881 3.770 1.00 0.00 H new ATOM 0 HA THR A 81 7.533 10.823 5.543 1.00 0.00 H new ATOM 0 HB THR A 81 6.324 12.703 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.154 12.934 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.044 12.064 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.881 10.774 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.727 10.672 5.154 1.00 0.00 H new ATOM 1278 N VAL A 82 6.859 10.275 2.366 1.00 0.00 N ATOM 1279 CA VAL A 82 6.672 9.225 1.376 1.00 0.00 C ATOM 1280 C VAL A 82 7.901 8.341 1.288 1.00 0.00 C ATOM 1281 O VAL A 82 7.779 7.133 1.157 1.00 0.00 O ATOM 1282 CB VAL A 82 6.376 9.799 -0.015 1.00 0.00 C ATOM 1283 CG1 VAL A 82 6.085 8.673 -0.998 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.220 10.783 0.059 1.00 0.00 C ATOM 0 H VAL A 82 6.659 11.216 2.027 1.00 0.00 H new ATOM 0 HA VAL A 82 5.815 8.636 1.703 1.00 0.00 H new ATOM 0 HB VAL A 82 7.253 10.338 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.876 9.094 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.950 8.013 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.220 8.105 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.019 11.184 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.331 10.273 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.479 11.599 0.734 1.00 0.00 H new ATOM 1294 N HIS A 83 9.088 8.937 1.374 1.00 0.00 N ATOM 1295 CA HIS A 83 10.317 8.154 1.315 1.00 0.00 C ATOM 1296 C HIS A 83 10.195 6.948 2.232 1.00 0.00 C ATOM 1297 O HIS A 83 10.593 5.840 1.880 1.00 0.00 O ATOM 1298 CB HIS A 83 11.528 9.000 1.722 1.00 0.00 C ATOM 1299 CG HIS A 83 12.353 9.461 0.562 1.00 0.00 C ATOM 1300 ND1 HIS A 83 12.668 8.845 -0.603 1.00 0.00 N flip ATOM 1301 CD2 HIS A 83 12.970 10.694 0.519 1.00 0.00 C flip ATOM 1302 CE1 HIS A 83 13.458 9.709 -1.319 1.00 0.00 C flip ATOM 1303 NE2 HIS A 83 13.626 10.817 -0.623 1.00 0.00 N flip ATOM 0 H HIS A 83 9.223 9.942 1.483 1.00 0.00 H new ATOM 0 HA HIS A 83 10.467 7.820 0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.182 9.870 2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.157 8.419 2.396 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.373 7.913 -0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.925 11.442 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.875 9.513 -2.296 1.00 0.00 H new ATOM 1312 N HIS A 84 9.615 7.179 3.406 1.00 0.00 N ATOM 1313 CA HIS A 84 9.406 6.116 4.379 1.00 0.00 C ATOM 1314 C HIS A 84 8.231 5.230 3.968 1.00 0.00 C ATOM 1315 O HIS A 84 8.198 4.041 4.285 1.00 0.00 O ATOM 1316 CB HIS A 84 9.159 6.706 5.770 1.00 0.00 C ATOM 1317 CG HIS A 84 10.044 6.130 6.830 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.075 6.835 7.416 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.050 4.907 7.413 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.676 6.071 8.311 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.073 4.897 8.328 1.00 0.00 N ATOM 0 H HIS A 84 9.281 8.095 3.705 1.00 0.00 H new ATOM 0 HA HIS A 84 10.307 5.503 4.412 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.309 7.785 5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.118 6.539 6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.375 4.092 7.198 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.517 6.358 8.924 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.326 4.110 8.925 1.00 0.00 H new ATOM 1330 N ILE A 85 7.264 5.820 3.265 1.00 0.00 N ATOM 1331 CA ILE A 85 6.086 5.081 2.820 1.00 0.00 C ATOM 1332 C ILE A 85 6.353 4.365 1.492 1.00 0.00 C ATOM 1333 O ILE A 85 5.797 3.299 1.237 1.00 0.00 O ATOM 1334 CB ILE A 85 4.804 5.983 2.743 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.375 6.319 1.312 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.973 7.262 3.538 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.868 6.281 1.131 1.00 0.00 C ATOM 0 H ILE A 85 7.274 6.803 2.993 1.00 0.00 H new ATOM 0 HA ILE A 85 5.883 4.322 3.576 1.00 0.00 H new ATOM 0 HB ILE A 85 4.009 5.383 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.744 7.310 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.838 5.613 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.065 7.861 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.159 7.018 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.816 7.828 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.619 6.527 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.498 5.283 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.403 7.006 1.799 1.00 0.00 H new ATOM 1349 N GLU A 86 7.221 4.941 0.664 1.00 0.00 N ATOM 1350 CA GLU A 86 7.571 4.338 -0.619 1.00 0.00 C ATOM 1351 C GLU A 86 8.591 3.230 -0.408 1.00 0.00 C ATOM 1352 O GLU A 86 8.426 2.127 -0.922 1.00 0.00 O ATOM 1353 CB GLU A 86 8.106 5.390 -1.600 1.00 0.00 C ATOM 1354 CG GLU A 86 9.180 6.296 -1.024 1.00 0.00 C ATOM 1355 CD GLU A 86 10.330 6.518 -1.987 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.934 5.520 -2.431 1.00 0.00 O ATOM 1357 OE2 GLU A 86 10.625 7.691 -2.298 1.00 0.00 O ATOM 0 H GLU A 86 7.694 5.823 0.858 1.00 0.00 H new ATOM 0 HA GLU A 86 6.669 3.910 -1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.509 4.881 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.274 6.005 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.738 7.258 -0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.562 5.860 -0.101 1.00 0.00 H new ATOM 1364 N GLN A 87 9.625 3.505 0.387 1.00 0.00 N ATOM 1365 CA GLN A 87 10.625 2.489 0.684 1.00 0.00 C ATOM 1366 C GLN A 87 9.937 1.310 1.352 1.00 0.00 C ATOM 1367 O GLN A 87 10.374 0.165 1.241 1.00 0.00 O ATOM 1368 CB GLN A 87 11.724 3.047 1.594 1.00 0.00 C ATOM 1369 CG GLN A 87 12.947 3.554 0.845 1.00 0.00 C ATOM 1370 CD GLN A 87 12.590 4.395 -0.366 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.314 5.589 -0.249 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.593 3.773 -1.540 1.00 0.00 N ATOM 0 H GLN A 87 9.788 4.410 0.829 1.00 0.00 H new ATOM 0 HA GLN A 87 11.097 2.169 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.311 3.862 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.034 2.269 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.563 4.145 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.550 2.704 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.828 2.782 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.360 4.287 -2.390 1.00 0.00 H new ATOM 1381 N ASN A 88 8.830 1.614 2.027 1.00 0.00 N ATOM 1382 CA ASN A 88 8.038 0.605 2.699 1.00 0.00 C ATOM 1383 C ASN A 88 7.102 -0.065 1.702 1.00 0.00 C ATOM 1384 O ASN A 88 7.282 -1.235 1.369 1.00 0.00 O ATOM 1385 CB ASN A 88 7.233 1.229 3.841 1.00 0.00 C ATOM 1386 CG ASN A 88 7.978 1.187 5.162 1.00 0.00 C ATOM 1387 OD1 ASN A 88 9.215 1.669 5.159 1.00 0.00 O flip ATOM 1388 ND2 ASN A 88 7.446 0.728 6.173 1.00 0.00 N flip ATOM 0 H ASN A 88 8.465 2.562 2.119 1.00 0.00 H new ATOM 0 HA ASN A 88 8.708 -0.145 3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.997 2.264 3.593 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.285 0.701 3.944 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.493 0.368 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.959 0.708 7.055 1.00 0.00 H new ATOM 1395 N ILE A 89 6.102 0.685 1.223 1.00 0.00 N ATOM 1396 CA ILE A 89 5.139 0.150 0.260 1.00 0.00 C ATOM 1397 C ILE A 89 5.836 -0.530 -0.901 1.00 0.00 C ATOM 1398 O ILE A 89 5.385 -1.572 -1.378 1.00 0.00 O ATOM 1399 CB ILE A 89 4.163 1.238 -0.275 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.764 0.955 0.247 1.00 0.00 C ATOM 1401 CG2 ILE A 89 4.136 1.296 -1.805 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.076 2.163 0.853 1.00 0.00 C ATOM 0 H ILE A 89 5.941 1.657 1.486 1.00 0.00 H new ATOM 0 HA ILE A 89 4.550 -0.589 0.802 1.00 0.00 H new ATOM 0 HB ILE A 89 4.518 2.205 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.152 0.574 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.820 0.167 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.440 2.071 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.134 1.526 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.815 0.332 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.083 1.879 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.664 2.533 1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.986 2.946 0.100 1.00 0.00 H new ATOM 1414 N LYS A 90 6.933 0.048 -1.362 1.00 0.00 N ATOM 1415 CA LYS A 90 7.650 -0.546 -2.468 1.00 0.00 C ATOM 1416 C LYS A 90 8.187 -1.917 -2.066 1.00 0.00 C ATOM 1417 O LYS A 90 8.423 -2.779 -2.909 1.00 0.00 O ATOM 1418 CB LYS A 90 8.790 0.355 -2.946 1.00 0.00 C ATOM 1419 CG LYS A 90 8.315 1.635 -3.615 1.00 0.00 C ATOM 1420 CD LYS A 90 7.770 1.365 -5.009 1.00 0.00 C ATOM 1421 CE LYS A 90 8.886 1.046 -5.991 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.355 0.614 -7.315 1.00 0.00 N ATOM 0 H LYS A 90 7.337 0.910 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 90 6.953 -0.664 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.420 0.612 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.413 -0.202 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.541 2.101 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.141 2.343 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.068 0.532 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.214 2.235 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.516 1.925 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.518 0.259 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.147 0.406 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.774 -0.240 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.773 1.374 -7.720 1.00 0.00 H new ATOM 1436 N GLU A 91 8.358 -2.116 -0.763 1.00 0.00 N ATOM 1437 CA GLU A 91 8.835 -3.386 -0.237 1.00 0.00 C ATOM 1438 C GLU A 91 7.653 -4.306 0.073 1.00 0.00 C ATOM 1439 O GLU A 91 7.832 -5.488 0.367 1.00 0.00 O ATOM 1440 CB GLU A 91 9.672 -3.162 1.025 1.00 0.00 C ATOM 1441 CG GLU A 91 10.873 -4.087 1.131 1.00 0.00 C ATOM 1442 CD GLU A 91 11.471 -4.109 2.523 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.327 -3.248 2.815 1.00 0.00 O ATOM 1444 OE2 GLU A 91 11.082 -4.987 3.323 1.00 0.00 O ATOM 0 H GLU A 91 8.172 -1.410 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 91 9.463 -3.860 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.017 -2.128 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.038 -3.302 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.574 -5.097 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.634 -3.771 0.418 1.00 0.00 H new ATOM 1451 N ILE A 92 6.441 -3.751 -0.007 1.00 0.00 N ATOM 1452 CA ILE A 92 5.228 -4.505 0.252 1.00 0.00 C ATOM 1453 C ILE A 92 4.875 -5.354 -0.960 1.00 0.00 C ATOM 1454 O ILE A 92 4.749 -6.574 -0.858 1.00 0.00 O ATOM 1455 CB ILE A 92 4.053 -3.564 0.615 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.037 -3.320 2.120 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.713 -4.120 0.159 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.008 -2.253 2.551 1.00 0.00 C ATOM 0 H ILE A 92 6.281 -2.774 -0.252 1.00 0.00 H new ATOM 0 HA ILE A 92 5.407 -5.160 1.105 1.00 0.00 H new ATOM 0 HB ILE A 92 4.207 -2.621 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.031 -3.033 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.274 -4.250 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.918 -3.427 0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.722 -4.249 -0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.537 -5.083 0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.951 -2.124 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.020 -2.548 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.757 -1.313 2.060 1.00 0.00 H new ATOM 1470 N PHE A 93 4.729 -4.701 -2.112 1.00 0.00 N ATOM 1471 CA PHE A 93 4.398 -5.402 -3.347 1.00 0.00 C ATOM 1472 C PHE A 93 5.261 -6.652 -3.507 1.00 0.00 C ATOM 1473 O PHE A 93 4.767 -7.720 -3.860 1.00 0.00 O ATOM 1474 CB PHE A 93 4.581 -4.475 -4.552 1.00 0.00 C ATOM 1475 CG PHE A 93 5.946 -4.556 -5.168 1.00 0.00 C ATOM 1476 CD1 PHE A 93 6.279 -5.613 -5.996 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.897 -3.591 -4.899 1.00 0.00 C ATOM 1478 CE1 PHE A 93 7.536 -5.706 -6.550 1.00 0.00 C ATOM 1479 CE2 PHE A 93 8.161 -3.676 -5.454 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.481 -4.736 -6.280 1.00 0.00 C ATOM 0 H PHE A 93 4.835 -3.692 -2.214 1.00 0.00 H new ATOM 0 HA PHE A 93 3.353 -5.709 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.835 -4.723 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.392 -3.447 -4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.544 -6.375 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.652 -2.763 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.783 -6.536 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.897 -2.915 -5.242 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.468 -4.806 -6.713 1.00 0.00 H new ATOM 1490 N HIS A 94 6.557 -6.507 -3.241 1.00 0.00 N ATOM 1491 CA HIS A 94 7.484 -7.624 -3.350 1.00 0.00 C ATOM 1492 C HIS A 94 7.029 -8.760 -2.449 1.00 0.00 C ATOM 1493 O HIS A 94 6.706 -9.846 -2.922 1.00 0.00 O ATOM 1494 CB HIS A 94 8.901 -7.186 -2.975 1.00 0.00 C ATOM 1495 CG HIS A 94 9.971 -8.059 -3.553 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.287 -8.008 -3.143 1.00 0.00 N ATOM 1497 CD2 HIS A 94 9.916 -9.011 -4.514 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.995 -8.889 -3.828 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.186 -9.511 -4.666 1.00 0.00 N ATOM 0 H HIS A 94 6.985 -5.628 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 94 7.495 -7.971 -4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.057 -6.162 -3.314 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.995 -7.181 -1.889 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.037 -9.320 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.054 -9.069 -3.721 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.460 -10.244 -5.320 1.00 0.00 H new ATOM 1508 N HIS A 95 6.976 -8.488 -1.151 1.00 0.00 N ATOM 1509 CA HIS A 95 6.526 -9.482 -0.187 1.00 0.00 C ATOM 1510 C HIS A 95 5.081 -9.888 -0.472 1.00 0.00 C ATOM 1511 O HIS A 95 4.583 -10.869 0.081 1.00 0.00 O ATOM 1512 CB HIS A 95 6.644 -8.934 1.236 1.00 0.00 C ATOM 1513 CG HIS A 95 8.050 -8.895 1.748 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.849 -10.015 1.841 1.00 0.00 N ATOM 1515 CD2 HIS A 95 8.801 -7.860 2.197 1.00 0.00 C ATOM 1516 CE1 HIS A 95 10.029 -9.672 2.326 1.00 0.00 C ATOM 1517 NE2 HIS A 95 10.026 -8.371 2.548 1.00 0.00 N ATOM 0 H HIS A 95 7.238 -7.590 -0.743 1.00 0.00 H new ATOM 0 HA HIS A 95 7.162 -10.363 -0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.228 -7.927 1.264 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.040 -9.548 1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.493 -6.827 2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.856 -10.342 2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.808 -7.832 2.920 1.00 0.00 H new ATOM 1526 N LEU A 96 4.411 -9.130 -1.341 1.00 0.00 N ATOM 1527 CA LEU A 96 3.028 -9.419 -1.698 1.00 0.00 C ATOM 1528 C LEU A 96 2.969 -10.367 -2.882 1.00 0.00 C ATOM 1529 O LEU A 96 2.526 -11.508 -2.758 1.00 0.00 O ATOM 1530 CB LEU A 96 2.290 -8.126 -2.034 1.00 0.00 C ATOM 1531 CG LEU A 96 1.930 -7.259 -0.837 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.004 -6.131 -1.260 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.289 -8.084 0.267 1.00 0.00 C ATOM 0 H LEU A 96 4.806 -8.314 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 96 2.546 -9.895 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.907 -7.540 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.375 -8.377 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 96 2.851 -6.829 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.755 -5.520 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.501 -5.514 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.091 -6.549 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.043 -7.437 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.379 -8.551 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.985 -8.857 0.595 1.00 0.00 H new ATOM 1545 N GLU A 97 3.438 -9.892 -4.028 1.00 0.00 N ATOM 1546 CA GLU A 97 3.456 -10.704 -5.231 1.00 0.00 C ATOM 1547 C GLU A 97 4.415 -11.876 -5.058 1.00 0.00 C ATOM 1548 O GLU A 97 4.396 -12.825 -5.842 1.00 0.00 O ATOM 1549 CB GLU A 97 3.864 -9.861 -6.440 1.00 0.00 C ATOM 1550 CG GLU A 97 2.687 -9.224 -7.161 1.00 0.00 C ATOM 1551 CD GLU A 97 2.183 -10.068 -8.314 1.00 0.00 C ATOM 1552 OE1 GLU A 97 2.110 -11.305 -8.157 1.00 0.00 O ATOM 1553 OE2 GLU A 97 1.862 -9.492 -9.375 1.00 0.00 O ATOM 0 H GLU A 97 3.810 -8.950 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 97 2.452 -11.092 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.547 -9.077 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.413 -10.489 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.875 -9.063 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.982 -8.244 -7.535 1.00 0.00 H new ATOM 1560 N GLU A 98 5.246 -11.812 -4.015 1.00 0.00 N ATOM 1561 CA GLU A 98 6.196 -12.887 -3.744 1.00 0.00 C ATOM 1562 C GLU A 98 5.543 -13.967 -2.889 1.00 0.00 C ATOM 1563 O GLU A 98 5.927 -15.135 -2.943 1.00 0.00 O ATOM 1564 CB GLU A 98 7.443 -12.347 -3.043 1.00 0.00 C ATOM 1565 CG GLU A 98 8.501 -13.406 -2.778 1.00 0.00 C ATOM 1566 CD GLU A 98 9.375 -13.672 -3.987 1.00 0.00 C ATOM 1567 OE1 GLU A 98 8.896 -14.337 -4.931 1.00 0.00 O ATOM 1568 OE2 GLU A 98 10.538 -13.218 -3.992 1.00 0.00 O ATOM 0 H GLU A 98 5.279 -11.036 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 98 6.497 -13.322 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.878 -11.556 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.149 -11.894 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.127 -13.088 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.014 -14.333 -2.475 1.00 0.00 H new ATOM 1575 N LEU A 99 4.548 -13.566 -2.104 1.00 0.00 N ATOM 1576 CA LEU A 99 3.830 -14.493 -1.240 1.00 0.00 C ATOM 1577 C LEU A 99 3.044 -15.502 -2.070 1.00 0.00 C ATOM 1578 O LEU A 99 3.236 -16.711 -1.941 1.00 0.00 O ATOM 1579 CB LEU A 99 2.880 -13.728 -0.317 1.00 0.00 C ATOM 1580 CG LEU A 99 1.999 -14.603 0.573 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.804 -15.155 1.737 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.800 -13.814 1.076 1.00 0.00 C ATOM 0 H LEU A 99 4.221 -12.601 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 99 4.559 -15.031 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.469 -13.067 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.237 -13.094 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 99 1.633 -15.441 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.162 -15.776 2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.630 -15.755 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.199 -14.330 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.183 -14.453 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.145 -12.956 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.211 -13.467 0.227 1.00 0.00 H new ATOM 1594 N VAL A 100 2.157 -14.995 -2.921 1.00 0.00 N ATOM 1595 CA VAL A 100 1.341 -15.853 -3.771 1.00 0.00 C ATOM 1596 C VAL A 100 2.204 -16.633 -4.759 1.00 0.00 C ATOM 1597 O VAL A 100 1.931 -17.797 -5.051 1.00 0.00 O ATOM 1598 CB VAL A 100 0.293 -15.036 -4.552 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.644 -15.957 -5.322 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.489 -14.136 -3.608 1.00 0.00 C ATOM 0 H VAL A 100 1.986 -13.996 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 100 0.827 -16.554 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 100 0.814 -14.406 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.376 -15.360 -5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.067 -16.555 -6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.161 -16.616 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.225 -13.566 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.999 -14.746 -2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.195 -13.450 -3.109 1.00 0.00 H new ATOM 1610 N HIS A 101 3.245 -15.985 -5.270 1.00 0.00 N ATOM 1611 CA HIS A 101 4.146 -16.622 -6.224 1.00 0.00 C ATOM 1612 C HIS A 101 4.819 -17.843 -5.605 1.00 0.00 C ATOM 1613 O HIS A 101 4.934 -18.890 -6.243 1.00 0.00 O ATOM 1614 CB HIS A 101 5.207 -15.626 -6.701 1.00 0.00 C ATOM 1615 CG HIS A 101 4.866 -14.968 -8.002 1.00 0.00 C ATOM 1616 ND1 HIS A 101 3.936 -14.030 -8.303 1.00 0.00 N flip ATOM 1617 CD2 HIS A 101 5.516 -15.255 -9.184 1.00 0.00 C flip ATOM 1618 CE1 HIS A 101 4.042 -13.773 -9.649 1.00 0.00 C flip ATOM 1619 NE2 HIS A 101 5.002 -14.523 -10.156 1.00 0.00 N flip ATOM 0 H HIS A 101 3.486 -15.021 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 101 3.556 -16.950 -7.080 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.342 -14.858 -5.939 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.160 -16.144 -6.804 1.00 0.00 H new ATOM 0 HD1 HIS A 101 3.280 -13.596 -7.653 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.320 -15.967 -9.297 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.437 -13.070 -10.203 1.00 0.00 H new ATOM 1628 N ARG A 102 5.261 -17.702 -4.360 1.00 0.00 N ATOM 1629 CA ARG A 102 5.922 -18.793 -3.655 1.00 0.00 C ATOM 1630 C ARG A 102 4.982 -19.985 -3.495 1.00 0.00 C ATOM 1631 O ARG A 102 5.293 -20.876 -2.676 1.00 0.00 O ATOM 1632 CB ARG A 102 6.411 -18.321 -2.284 1.00 0.00 C ATOM 1633 CG ARG A 102 7.921 -18.169 -2.195 1.00 0.00 C ATOM 1634 CD ARG A 102 8.624 -19.511 -2.320 1.00 0.00 C ATOM 1635 NE ARG A 102 9.915 -19.392 -2.992 1.00 0.00 N ATOM 1636 CZ ARG A 102 11.026 -18.964 -2.394 1.00 0.00 C ATOM 1637 NH1 ARG A 102 11.005 -18.612 -1.115 1.00 0.00 N ATOM 1638 NH2 ARG A 102 12.158 -18.886 -3.079 1.00 0.00 N ATOM 1639 OXT ARG A 102 3.945 -20.018 -4.190 1.00 0.00 O ATOM 0 H ARG A 102 5.173 -16.842 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 102 6.781 -19.109 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.944 -17.364 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.080 -19.031 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.268 -17.501 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.186 -17.705 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.770 -19.938 -1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.989 -20.203 -2.874 1.00 0.00 H new ATOM 0 HE ARG A 102 9.969 -19.652 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.135 -18.668 -0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.858 -18.285 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.178 -19.153 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.009 -18.558 -2.622 1.00 0.00 H new