USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 96 LYS NZ :NH3+ -152:sc= -0.601! (180deg=-1.34!) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= 0 F(o=-1.5,f=-0.6) USER MOD Set 2.1: A 70 SER OG : rot -47:sc= 1.21 USER MOD Set 2.2: A 72 MET CE :methyl -154:sc= -3.61 (180deg=-6.77!) USER MOD Set 3.1: A 30 CYS SG : rot 140:sc= -0.0103 USER MOD Set 3.2: A 33 CYS SG : rot 82:sc= -0.864 USER MOD Set 4.1: A 4 GLN :FLIP amide:sc= 0.505 F(o=-3.5,f=-1.1) USER MOD Set 4.2: A 26 TYR OH : rot 59:sc= -1.65! USER MOD Single : A 1 MET CE :methyl 160:sc= -0.205 (180deg=-0.794) USER MOD Single : A 1 MET N :NH3+ 141:sc=-0.00648 (180deg=-0.42) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -2.03! (180deg=-2.5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.983 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -142:sc= -0.631 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -141:sc= -7.35! (180deg=-11.3!) USER MOD Single : A 39 MET CE :methyl 158:sc= -0.177 (180deg=-0.817) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -74:sc= 1.2 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -130:sc= -2.91! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -8.09! (180deg=-8.18!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0302 (180deg=-0.206) USER MOD Single : A 67 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.19) USER MOD Single : A 74 THR OG1 : rot 90:sc= -4.16! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -0.0297 (180deg=-0.186) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.48! C(o=-4.1!,f=-3.5!) USER MOD Single : A 102 ASN : amide:sc= -8.28! C(o=-8.3!,f=-17!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.005 13.180 3.294 1.00 0.00 N ATOM 2 CA MET A 1 -2.214 12.450 3.757 1.00 0.00 C ATOM 3 C MET A 1 -2.225 11.015 3.238 1.00 0.00 C ATOM 4 O MET A 1 -1.414 10.645 2.390 1.00 0.00 O ATOM 5 CB MET A 1 -3.453 13.201 3.269 1.00 0.00 C ATOM 6 CG MET A 1 -3.517 13.351 1.758 1.00 0.00 C ATOM 7 SD MET A 1 -4.973 14.268 1.215 1.00 0.00 S ATOM 8 CE MET A 1 -4.709 15.837 2.038 1.00 0.00 C ATOM 0 H1 MET A 1 -1.262 14.158 3.052 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.292 13.186 4.051 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.614 12.707 2.454 1.00 0.00 H new ATOM 0 HA MET A 1 -2.209 12.403 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.345 12.676 3.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.471 14.191 3.725 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.619 13.861 1.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.522 12.363 1.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.298 16.610 1.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.016 15.757 3.081 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.652 16.100 1.990 1.00 0.00 H new ATOM 20 N VAL A 2 -3.148 10.213 3.757 1.00 0.00 N ATOM 21 CA VAL A 2 -3.267 8.819 3.352 1.00 0.00 C ATOM 22 C VAL A 2 -4.727 8.459 3.074 1.00 0.00 C ATOM 23 O VAL A 2 -5.633 8.961 3.740 1.00 0.00 O ATOM 24 CB VAL A 2 -2.696 7.883 4.437 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.526 7.953 5.712 1.00 0.00 C ATOM 26 CG2 VAL A 2 -2.604 6.457 3.926 1.00 0.00 C ATOM 0 H VAL A 2 -3.826 10.506 4.461 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.691 8.687 2.436 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.688 8.221 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.101 7.283 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.521 8.974 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.551 7.652 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.199 5.816 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.597 6.106 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.950 6.424 3.055 1.00 0.00 H new ATOM 36 N THR A 3 -4.956 7.600 2.082 1.00 0.00 N ATOM 37 CA THR A 3 -6.314 7.202 1.726 1.00 0.00 C ATOM 38 C THR A 3 -6.366 5.784 1.155 1.00 0.00 C ATOM 39 O THR A 3 -5.357 5.241 0.707 1.00 0.00 O ATOM 40 CB THR A 3 -6.895 8.192 0.712 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.948 9.498 1.259 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.288 7.832 0.246 1.00 0.00 C ATOM 0 H THR A 3 -4.225 7.170 1.516 1.00 0.00 H new ATOM 0 HA THR A 3 -6.910 7.211 2.638 1.00 0.00 H new ATOM 0 HB THR A 3 -6.224 8.149 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.320 10.116 0.596 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.636 8.576 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.270 6.851 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.963 7.808 1.101 1.00 0.00 H new ATOM 50 N GLN A 4 -7.564 5.202 1.168 1.00 0.00 N ATOM 51 CA GLN A 4 -7.790 3.855 0.647 1.00 0.00 C ATOM 52 C GLN A 4 -8.208 3.927 -0.819 1.00 0.00 C ATOM 53 O GLN A 4 -8.170 4.995 -1.429 1.00 0.00 O ATOM 54 CB GLN A 4 -8.901 3.168 1.444 1.00 0.00 C ATOM 55 CG GLN A 4 -8.723 3.251 2.951 1.00 0.00 C ATOM 56 CD GLN A 4 -9.931 2.736 3.710 1.00 0.00 C ATOM 57 OE1 GLN A 4 -9.719 1.722 4.542 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 -11.040 3.245 3.555 1.00 0.00 N flip ATOM 0 H GLN A 4 -8.403 5.649 1.539 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.865 3.286 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.857 3.617 1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.949 2.119 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.844 2.676 3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.535 4.287 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.158 4.023 2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.842 2.890 4.076 1.00 0.00 H new ATOM 67 N PHE A 5 -8.632 2.795 -1.373 1.00 0.00 N ATOM 68 CA PHE A 5 -9.085 2.755 -2.760 1.00 0.00 C ATOM 69 C PHE A 5 -10.387 1.974 -2.900 1.00 0.00 C ATOM 70 O PHE A 5 -10.461 0.793 -2.557 1.00 0.00 O ATOM 71 CB PHE A 5 -8.019 2.154 -3.677 1.00 0.00 C ATOM 72 CG PHE A 5 -6.818 3.035 -3.872 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.955 4.415 -3.947 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.555 2.483 -4.008 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.856 5.224 -4.152 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.453 3.292 -4.211 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.602 4.663 -4.283 1.00 0.00 C ATOM 0 H PHE A 5 -8.671 1.899 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.265 3.786 -3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.694 1.199 -3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.466 1.945 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.933 4.860 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.430 1.412 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.977 6.296 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.473 2.851 -4.314 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.740 5.294 -4.441 1.00 0.00 H new ATOM 87 N LYS A 6 -11.409 2.647 -3.420 1.00 0.00 N ATOM 88 CA LYS A 6 -12.716 2.031 -3.629 1.00 0.00 C ATOM 89 C LYS A 6 -12.982 1.825 -5.121 1.00 0.00 C ATOM 90 O LYS A 6 -13.864 1.060 -5.506 1.00 0.00 O ATOM 91 CB LYS A 6 -13.814 2.902 -3.011 1.00 0.00 C ATOM 92 CG LYS A 6 -13.681 3.066 -1.504 1.00 0.00 C ATOM 93 CD LYS A 6 -13.973 1.768 -0.765 1.00 0.00 C ATOM 94 CE LYS A 6 -15.458 1.612 -0.464 1.00 0.00 C ATOM 95 NZ LYS A 6 -16.290 1.627 -1.696 1.00 0.00 N ATOM 0 H LYS A 6 -11.357 3.625 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.721 1.057 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.793 3.886 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.786 2.463 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.673 3.402 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.366 3.841 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.633 0.924 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.409 1.745 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.621 0.676 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.778 2.417 0.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.242 1.270 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.360 2.600 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.851 1.022 -2.419 1.00 0.00 H new ATOM 109 N THR A 7 -12.206 2.509 -5.958 1.00 0.00 N ATOM 110 CA THR A 7 -12.350 2.395 -7.403 1.00 0.00 C ATOM 111 C THR A 7 -10.982 2.372 -8.072 1.00 0.00 C ATOM 112 O THR A 7 -10.162 3.266 -7.859 1.00 0.00 O ATOM 113 CB THR A 7 -13.182 3.556 -7.950 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.572 4.797 -7.647 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.593 3.591 -7.403 1.00 0.00 C ATOM 0 H THR A 7 -11.470 3.149 -5.658 1.00 0.00 H new ATOM 0 HA THR A 7 -12.865 1.460 -7.625 1.00 0.00 H new ATOM 0 HB THR A 7 -13.231 3.394 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.119 5.527 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.128 4.438 -7.831 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.108 2.667 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.560 3.693 -6.318 1.00 0.00 H new ATOM 123 N ALA A 8 -10.733 1.341 -8.875 1.00 0.00 N ATOM 124 CA ALA A 8 -9.454 1.202 -9.564 1.00 0.00 C ATOM 125 C ALA A 8 -9.074 2.480 -10.300 1.00 0.00 C ATOM 126 O ALA A 8 -7.893 2.756 -10.508 1.00 0.00 O ATOM 127 CB ALA A 8 -9.493 0.022 -10.525 1.00 0.00 C ATOM 0 H ALA A 8 -11.398 0.591 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.689 1.015 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.531 -0.067 -11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.697 -0.893 -9.969 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.278 0.181 -11.264 1.00 0.00 H new ATOM 133 N SER A 9 -10.074 3.266 -10.674 1.00 0.00 N ATOM 134 CA SER A 9 -9.825 4.521 -11.366 1.00 0.00 C ATOM 135 C SER A 9 -8.948 5.434 -10.511 1.00 0.00 C ATOM 136 O SER A 9 -8.316 6.359 -11.021 1.00 0.00 O ATOM 137 CB SER A 9 -11.146 5.221 -11.692 1.00 0.00 C ATOM 138 OG SER A 9 -11.964 4.408 -12.516 1.00 0.00 O ATOM 0 H SER A 9 -11.059 3.058 -10.511 1.00 0.00 H new ATOM 0 HA SER A 9 -9.303 4.303 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.674 5.456 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.945 6.168 -12.194 1.00 0.00 H new ATOM 0 HG SER A 9 -12.803 4.877 -12.709 1.00 0.00 H new ATOM 144 N GLU A 10 -8.916 5.165 -9.206 1.00 0.00 N ATOM 145 CA GLU A 10 -8.119 5.958 -8.283 1.00 0.00 C ATOM 146 C GLU A 10 -6.720 5.377 -8.131 1.00 0.00 C ATOM 147 O GLU A 10 -5.733 6.108 -8.040 1.00 0.00 O ATOM 148 CB GLU A 10 -8.804 6.042 -6.918 1.00 0.00 C ATOM 149 CG GLU A 10 -10.170 6.708 -6.962 1.00 0.00 C ATOM 150 CD GLU A 10 -10.840 6.754 -5.603 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.072 5.675 -5.018 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.131 7.869 -5.121 1.00 0.00 O ATOM 0 H GLU A 10 -9.434 4.403 -8.768 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.030 6.963 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.913 5.036 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.162 6.594 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.063 7.723 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.810 6.170 -7.661 1.00 0.00 H new ATOM 159 N PHE A 11 -6.653 4.056 -8.096 1.00 0.00 N ATOM 160 CA PHE A 11 -5.389 3.353 -7.946 1.00 0.00 C ATOM 161 C PHE A 11 -4.690 3.174 -9.298 1.00 0.00 C ATOM 162 O PHE A 11 -3.644 2.533 -9.386 1.00 0.00 O ATOM 163 CB PHE A 11 -5.623 1.989 -7.289 1.00 0.00 C ATOM 164 CG PHE A 11 -4.374 1.324 -6.769 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.139 1.956 -6.845 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.441 0.065 -6.193 1.00 0.00 C ATOM 167 CE1 PHE A 11 -2.001 1.343 -6.362 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.303 -0.549 -5.707 1.00 0.00 C ATOM 169 CZ PHE A 11 -2.084 0.090 -5.792 1.00 0.00 C ATOM 0 H PHE A 11 -7.466 3.445 -8.170 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.740 3.953 -7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.324 2.113 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.097 1.327 -8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.069 2.939 -7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.393 -0.441 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.047 1.844 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.368 -1.530 -5.260 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.195 -0.391 -5.412 1.00 0.00 H new ATOM 179 N ASP A 12 -5.273 3.741 -10.352 1.00 0.00 N ATOM 180 CA ASP A 12 -4.697 3.636 -11.687 1.00 0.00 C ATOM 181 C ASP A 12 -3.734 4.789 -11.952 1.00 0.00 C ATOM 182 O ASP A 12 -2.754 4.639 -12.680 1.00 0.00 O ATOM 183 CB ASP A 12 -5.803 3.625 -12.744 1.00 0.00 C ATOM 184 CG ASP A 12 -5.259 3.494 -14.153 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.587 2.481 -14.439 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.507 4.405 -14.972 1.00 0.00 O ATOM 0 H ASP A 12 -6.141 4.276 -10.306 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.142 2.700 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.485 2.799 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.384 4.544 -12.666 1.00 0.00 H new ATOM 191 N SER A 13 -4.022 5.941 -11.354 1.00 0.00 N ATOM 192 CA SER A 13 -3.184 7.122 -11.522 1.00 0.00 C ATOM 193 C SER A 13 -2.093 7.170 -10.458 1.00 0.00 C ATOM 194 O SER A 13 -0.965 7.586 -10.726 1.00 0.00 O ATOM 195 CB SER A 13 -4.034 8.390 -11.450 1.00 0.00 C ATOM 196 OG SER A 13 -4.702 8.486 -10.204 1.00 0.00 O ATOM 0 H SER A 13 -4.831 6.081 -10.748 1.00 0.00 H new ATOM 0 HA SER A 13 -2.711 7.064 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.400 9.265 -11.595 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.765 8.388 -12.259 1.00 0.00 H new ATOM 0 HG SER A 13 -5.238 9.306 -10.182 1.00 0.00 H new ATOM 202 N ALA A 14 -2.441 6.746 -9.247 1.00 0.00 N ATOM 203 CA ALA A 14 -1.500 6.741 -8.130 1.00 0.00 C ATOM 204 C ALA A 14 -0.153 6.149 -8.536 1.00 0.00 C ATOM 205 O ALA A 14 0.900 6.650 -8.139 1.00 0.00 O ATOM 206 CB ALA A 14 -2.083 5.966 -6.958 1.00 0.00 C ATOM 0 H ALA A 14 -3.371 6.400 -9.013 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.332 7.775 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.373 5.969 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.014 6.435 -6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.280 4.938 -7.263 1.00 0.00 H new ATOM 212 N ILE A 15 -0.192 5.083 -9.329 1.00 0.00 N ATOM 213 CA ILE A 15 1.029 4.430 -9.785 1.00 0.00 C ATOM 214 C ILE A 15 1.564 5.079 -11.055 1.00 0.00 C ATOM 215 O ILE A 15 2.739 5.432 -11.126 1.00 0.00 O ATOM 216 CB ILE A 15 0.817 2.916 -10.019 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.273 2.662 -11.066 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.471 2.225 -8.705 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.594 1.195 -11.260 1.00 0.00 C ATOM 0 H ILE A 15 -1.053 4.654 -9.668 1.00 0.00 H new ATOM 0 HA ILE A 15 1.765 4.554 -8.991 1.00 0.00 H new ATOM 0 HB ILE A 15 1.748 2.498 -10.403 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.180 3.188 -10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.044 3.086 -12.019 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.324 1.160 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.285 2.366 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.444 2.655 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.373 1.090 -12.015 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.302 0.667 -11.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.942 0.771 -10.318 1.00 0.00 H new ATOM 231 N ALA A 16 0.703 5.236 -12.055 1.00 0.00 N ATOM 232 CA ALA A 16 1.099 5.834 -13.328 1.00 0.00 C ATOM 233 C ALA A 16 1.972 7.072 -13.142 1.00 0.00 C ATOM 234 O ALA A 16 1.469 8.172 -12.916 1.00 0.00 O ATOM 235 CB ALA A 16 -0.132 6.176 -14.153 1.00 0.00 C ATOM 0 H ALA A 16 -0.277 4.957 -12.009 1.00 0.00 H new ATOM 0 HA ALA A 16 1.699 5.095 -13.859 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.176 6.621 -15.099 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.703 5.268 -14.348 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.753 6.884 -13.604 1.00 0.00 H new ATOM 241 N GLN A 17 3.288 6.879 -13.250 1.00 0.00 N ATOM 242 CA GLN A 17 4.246 7.972 -13.105 1.00 0.00 C ATOM 243 C GLN A 17 3.900 8.854 -11.913 1.00 0.00 C ATOM 244 O GLN A 17 3.204 9.860 -12.055 1.00 0.00 O ATOM 245 CB GLN A 17 4.283 8.815 -14.381 1.00 0.00 C ATOM 246 CG GLN A 17 4.690 8.030 -15.618 1.00 0.00 C ATOM 247 CD GLN A 17 4.722 8.889 -16.868 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.709 9.463 -17.266 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.889 8.979 -17.494 1.00 0.00 N ATOM 0 H GLN A 17 3.714 5.971 -13.438 1.00 0.00 H new ATOM 0 HA GLN A 17 5.229 7.535 -12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.298 9.252 -14.546 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.979 9.642 -14.240 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.675 7.591 -15.458 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.993 7.205 -15.766 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.703 8.486 -17.128 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.971 9.541 -18.341 1.00 0.00 H new ATOM 258 N ASP A 18 4.387 8.475 -10.738 1.00 0.00 N ATOM 259 CA ASP A 18 4.118 9.243 -9.533 1.00 0.00 C ATOM 260 C ASP A 18 4.983 8.774 -8.368 1.00 0.00 C ATOM 261 O ASP A 18 4.512 8.688 -7.235 1.00 0.00 O ATOM 262 CB ASP A 18 2.636 9.144 -9.163 1.00 0.00 C ATOM 263 CG ASP A 18 2.268 10.027 -7.985 1.00 0.00 C ATOM 264 OD1 ASP A 18 3.158 10.738 -7.472 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.087 10.011 -7.578 1.00 0.00 O ATOM 0 H ASP A 18 4.966 7.647 -10.596 1.00 0.00 H new ATOM 0 HA ASP A 18 4.368 10.284 -9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.031 9.424 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.393 8.108 -8.926 1.00 0.00 H new ATOM 270 N LYS A 19 6.254 8.480 -8.646 1.00 0.00 N ATOM 271 CA LYS A 19 7.173 8.038 -7.605 1.00 0.00 C ATOM 272 C LYS A 19 6.774 6.662 -7.086 1.00 0.00 C ATOM 273 O LYS A 19 6.114 5.894 -7.786 1.00 0.00 O ATOM 274 CB LYS A 19 7.193 9.083 -6.487 1.00 0.00 C ATOM 275 CG LYS A 19 7.728 10.436 -6.934 1.00 0.00 C ATOM 276 CD LYS A 19 7.454 11.520 -5.904 1.00 0.00 C ATOM 277 CE LYS A 19 7.955 12.875 -6.375 1.00 0.00 C ATOM 278 NZ LYS A 19 7.687 13.944 -5.374 1.00 0.00 N ATOM 0 H LYS A 19 6.665 8.540 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 19 8.179 7.943 -8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.182 9.210 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.805 8.713 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.802 10.363 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.269 10.713 -7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.383 11.575 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.937 11.259 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.026 12.819 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.474 13.132 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.044 14.853 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.663 14.015 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.167 13.712 -4.481 1.00 0.00 H new ATOM 292 N LEU A 20 7.186 6.347 -5.871 1.00 0.00 N ATOM 293 CA LEU A 20 6.884 5.056 -5.272 1.00 0.00 C ATOM 294 C LEU A 20 5.680 5.156 -4.343 1.00 0.00 C ATOM 295 O LEU A 20 5.724 5.835 -3.319 1.00 0.00 O ATOM 296 CB LEU A 20 8.092 4.546 -4.489 1.00 0.00 C ATOM 297 CG LEU A 20 7.874 3.220 -3.765 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.635 2.100 -4.765 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.060 2.902 -2.868 1.00 0.00 C ATOM 0 H LEU A 20 7.733 6.969 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 20 6.648 4.357 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.931 4.435 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.377 5.301 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 20 6.987 3.309 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.482 1.162 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.751 2.327 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.501 2.007 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.888 1.953 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.964 2.831 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.179 3.694 -2.128 1.00 0.00 H new ATOM 311 N VAL A 21 4.608 4.473 -4.715 1.00 0.00 N ATOM 312 CA VAL A 21 3.382 4.477 -3.930 1.00 0.00 C ATOM 313 C VAL A 21 3.240 3.183 -3.132 1.00 0.00 C ATOM 314 O VAL A 21 3.411 2.089 -3.668 1.00 0.00 O ATOM 315 CB VAL A 21 2.144 4.656 -4.832 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.867 4.698 -4.003 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.280 5.911 -5.679 1.00 0.00 C ATOM 0 H VAL A 21 4.562 3.905 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 21 3.443 5.319 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 21 2.081 3.796 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.009 4.825 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.763 3.766 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.914 5.533 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.398 6.022 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.373 6.781 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.167 5.832 -6.307 1.00 0.00 H new ATOM 327 N VAL A 22 2.920 3.319 -1.851 1.00 0.00 N ATOM 328 CA VAL A 22 2.750 2.165 -0.977 1.00 0.00 C ATOM 329 C VAL A 22 1.272 1.873 -0.753 1.00 0.00 C ATOM 330 O VAL A 22 0.584 2.613 -0.048 1.00 0.00 O ATOM 331 CB VAL A 22 3.431 2.384 0.386 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.342 1.130 1.243 1.00 0.00 C ATOM 333 CG2 VAL A 22 4.879 2.808 0.193 1.00 0.00 C ATOM 0 H VAL A 22 2.773 4.219 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 22 3.221 1.316 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 22 2.906 3.184 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.830 1.309 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.295 0.877 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.837 0.304 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.347 2.959 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.416 2.031 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.913 3.738 -0.374 1.00 0.00 H new ATOM 343 N VAL A 23 0.784 0.797 -1.360 1.00 0.00 N ATOM 344 CA VAL A 23 -0.617 0.420 -1.224 1.00 0.00 C ATOM 345 C VAL A 23 -0.767 -0.898 -0.474 1.00 0.00 C ATOM 346 O VAL A 23 -0.159 -1.906 -0.835 1.00 0.00 O ATOM 347 CB VAL A 23 -1.304 0.304 -2.597 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.794 0.051 -2.428 1.00 0.00 C ATOM 349 CG2 VAL A 23 -1.053 1.558 -3.419 1.00 0.00 C ATOM 0 H VAL A 23 1.336 0.173 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.101 1.211 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.878 -0.545 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.263 -0.028 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.945 -0.877 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.243 0.877 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.544 1.463 -4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.454 2.424 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.019 1.687 -3.567 1.00 0.00 H new ATOM 359 N ASP A 24 -1.582 -0.878 0.573 1.00 0.00 N ATOM 360 CA ASP A 24 -1.822 -2.062 1.385 1.00 0.00 C ATOM 361 C ASP A 24 -3.143 -2.725 0.995 1.00 0.00 C ATOM 362 O ASP A 24 -4.180 -2.067 0.929 1.00 0.00 O ATOM 363 CB ASP A 24 -1.839 -1.683 2.868 1.00 0.00 C ATOM 364 CG ASP A 24 -2.066 -2.873 3.777 1.00 0.00 C ATOM 365 OD1 ASP A 24 -3.131 -3.515 3.663 1.00 0.00 O ATOM 366 OD2 ASP A 24 -1.176 -3.167 4.604 1.00 0.00 O ATOM 0 H ASP A 24 -2.090 -0.049 0.880 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.016 -2.774 1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.892 -1.209 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.623 -0.945 3.041 1.00 0.00 H new ATOM 371 N PHE A 25 -3.098 -4.027 0.739 1.00 0.00 N ATOM 372 CA PHE A 25 -4.278 -4.777 0.356 1.00 0.00 C ATOM 373 C PHE A 25 -4.855 -5.517 1.555 1.00 0.00 C ATOM 374 O PHE A 25 -5.095 -6.723 1.503 1.00 0.00 O ATOM 375 CB PHE A 25 -3.908 -5.778 -0.733 1.00 0.00 C ATOM 376 CG PHE A 25 -3.690 -5.179 -2.092 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.759 -4.171 -2.299 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.396 -5.665 -3.174 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.543 -3.659 -3.565 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.191 -5.156 -4.438 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.262 -4.152 -4.637 1.00 0.00 C ATOM 0 H PHE A 25 -2.246 -4.586 0.792 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.030 -4.083 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.000 -6.301 -0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.698 -6.525 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.197 -3.782 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.118 -6.454 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.814 -2.876 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.756 -5.542 -5.273 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.099 -3.754 -5.628 1.00 0.00 H new ATOM 391 N TYR A 26 -5.079 -4.780 2.633 1.00 0.00 N ATOM 392 CA TYR A 26 -5.630 -5.354 3.850 1.00 0.00 C ATOM 393 C TYR A 26 -6.972 -6.020 3.579 1.00 0.00 C ATOM 394 O TYR A 26 -7.807 -5.480 2.858 1.00 0.00 O ATOM 395 CB TYR A 26 -5.780 -4.267 4.920 1.00 0.00 C ATOM 396 CG TYR A 26 -6.390 -2.979 4.404 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.648 -2.972 3.817 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.705 -1.772 4.496 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.207 -1.806 3.339 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.258 -0.603 4.026 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.510 -0.622 3.448 1.00 0.00 C ATOM 402 OH TYR A 26 -8.065 0.541 2.970 1.00 0.00 O ATOM 0 H TYR A 26 -4.887 -3.780 2.689 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.942 -6.118 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.399 -4.652 5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.799 -4.049 5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.199 -3.897 3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.722 -1.752 4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.185 -1.820 2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.714 0.326 4.109 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.919 0.706 3.422 1.00 0.00 H new ATOM 412 N ALA A 27 -7.181 -7.196 4.159 1.00 0.00 N ATOM 413 CA ALA A 27 -8.436 -7.907 3.968 1.00 0.00 C ATOM 414 C ALA A 27 -9.589 -7.074 4.491 1.00 0.00 C ATOM 415 O ALA A 27 -9.455 -6.377 5.497 1.00 0.00 O ATOM 416 CB ALA A 27 -8.415 -9.258 4.662 1.00 0.00 C ATOM 0 H ALA A 27 -6.506 -7.671 4.758 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.568 -8.077 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.367 -9.765 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.607 -9.865 4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.256 -9.116 5.731 1.00 0.00 H new ATOM 422 N THR A 28 -10.719 -7.142 3.811 1.00 0.00 N ATOM 423 CA THR A 28 -11.884 -6.385 4.227 1.00 0.00 C ATOM 424 C THR A 28 -12.366 -6.837 5.609 1.00 0.00 C ATOM 425 O THR A 28 -13.172 -6.162 6.248 1.00 0.00 O ATOM 426 CB THR A 28 -13.002 -6.531 3.204 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.173 -5.863 3.641 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.371 -7.970 2.918 1.00 0.00 C ATOM 0 H THR A 28 -10.854 -7.709 2.974 1.00 0.00 H new ATOM 0 HA THR A 28 -11.601 -5.334 4.292 1.00 0.00 H new ATOM 0 HB THR A 28 -12.613 -6.086 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.962 -6.388 3.391 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.173 -8.000 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.501 -8.498 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.705 -8.450 3.838 1.00 0.00 H new ATOM 436 N TRP A 29 -11.862 -7.986 6.058 1.00 0.00 N ATOM 437 CA TRP A 29 -12.227 -8.544 7.356 1.00 0.00 C ATOM 438 C TRP A 29 -11.041 -8.464 8.334 1.00 0.00 C ATOM 439 O TRP A 29 -10.403 -7.417 8.455 1.00 0.00 O ATOM 440 CB TRP A 29 -12.705 -9.996 7.173 1.00 0.00 C ATOM 441 CG TRP A 29 -11.768 -10.823 6.339 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.604 -10.746 4.984 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.852 -11.830 6.796 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.649 -11.639 4.571 1.00 0.00 N ATOM 445 CE2 TRP A 29 -10.171 -12.314 5.663 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.539 -12.369 8.049 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -9.199 -13.306 5.748 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.574 -13.351 8.129 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.914 -13.809 6.986 1.00 0.00 C ATOM 0 H TRP A 29 -11.194 -8.552 5.535 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.042 -7.960 7.784 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.818 -10.461 8.152 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.690 -9.992 6.707 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.148 -10.078 4.333 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.344 -11.778 3.608 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.044 -12.022 8.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.688 -13.665 4.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.324 -13.773 9.091 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.162 -14.578 7.083 1.00 0.00 H new ATOM 460 N CYS A 30 -10.748 -9.567 9.024 1.00 0.00 N ATOM 461 CA CYS A 30 -9.649 -9.627 9.976 1.00 0.00 C ATOM 462 C CYS A 30 -9.856 -8.648 11.130 1.00 0.00 C ATOM 463 O CYS A 30 -10.268 -9.039 12.222 1.00 0.00 O ATOM 464 CB CYS A 30 -8.329 -9.338 9.268 1.00 0.00 C ATOM 465 SG CYS A 30 -6.898 -9.261 10.372 1.00 0.00 S ATOM 0 H CYS A 30 -11.268 -10.440 8.936 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.620 -10.633 10.395 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.155 -10.110 8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.415 -8.391 8.736 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.881 -9.840 9.805 1.00 0.00 H new ATOM 471 N GLY A 31 -9.553 -7.378 10.884 1.00 0.00 N ATOM 472 CA GLY A 31 -9.697 -6.365 11.911 1.00 0.00 C ATOM 473 C GLY A 31 -8.410 -5.592 12.121 1.00 0.00 C ATOM 474 O GLY A 31 -8.270 -4.473 11.626 1.00 0.00 O ATOM 0 H GLY A 31 -9.209 -7.032 9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.494 -5.676 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.995 -6.836 12.848 1.00 0.00 H new ATOM 478 N PRO A 32 -7.437 -6.170 12.848 1.00 0.00 N ATOM 479 CA PRO A 32 -6.151 -5.520 13.104 1.00 0.00 C ATOM 480 C PRO A 32 -5.567 -4.885 11.845 1.00 0.00 C ATOM 481 O PRO A 32 -4.865 -3.877 11.914 1.00 0.00 O ATOM 482 CB PRO A 32 -5.269 -6.673 13.582 1.00 0.00 C ATOM 483 CG PRO A 32 -6.216 -7.625 14.227 1.00 0.00 C ATOM 484 CD PRO A 32 -7.515 -7.507 13.472 1.00 0.00 C ATOM 0 HA PRO A 32 -6.236 -4.703 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.741 -7.140 12.750 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.512 -6.328 14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.832 -8.644 14.184 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.355 -7.381 15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.616 -8.293 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.374 -7.589 14.138 1.00 0.00 H new ATOM 492 N CYS A 33 -5.871 -5.480 10.692 1.00 0.00 N ATOM 493 CA CYS A 33 -5.386 -4.967 9.415 1.00 0.00 C ATOM 494 C CYS A 33 -5.784 -3.504 9.238 1.00 0.00 C ATOM 495 O CYS A 33 -5.025 -2.704 8.689 1.00 0.00 O ATOM 496 CB CYS A 33 -5.939 -5.800 8.257 1.00 0.00 C ATOM 497 SG CYS A 33 -5.270 -7.475 8.163 1.00 0.00 S ATOM 0 H CYS A 33 -6.450 -6.316 10.618 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.298 -5.038 9.412 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.023 -5.859 8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.729 -5.284 7.320 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.908 -8.245 8.994 1.00 0.00 H new ATOM 503 N LYS A 34 -6.981 -3.163 9.708 1.00 0.00 N ATOM 504 CA LYS A 34 -7.485 -1.797 9.606 1.00 0.00 C ATOM 505 C LYS A 34 -6.734 -0.861 10.550 1.00 0.00 C ATOM 506 O LYS A 34 -6.780 0.360 10.393 1.00 0.00 O ATOM 507 CB LYS A 34 -8.984 -1.759 9.912 1.00 0.00 C ATOM 508 CG LYS A 34 -9.820 -2.606 8.966 1.00 0.00 C ATOM 509 CD LYS A 34 -11.300 -2.520 9.299 1.00 0.00 C ATOM 510 CE LYS A 34 -11.586 -3.012 10.708 1.00 0.00 C ATOM 511 NZ LYS A 34 -13.038 -2.960 11.034 1.00 0.00 N ATOM 0 H LYS A 34 -7.620 -3.815 10.163 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.321 -1.454 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.147 -2.102 10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.330 -0.727 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.657 -2.275 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.494 -3.644 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.637 -1.488 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.870 -3.113 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.227 -4.036 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.032 -2.404 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.189 -3.304 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.376 -1.979 10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.565 -3.560 10.368 1.00 0.00 H new ATOM 525 N MET A 35 -6.036 -1.436 11.526 1.00 0.00 N ATOM 526 CA MET A 35 -5.268 -0.650 12.486 1.00 0.00 C ATOM 527 C MET A 35 -3.971 -0.137 11.851 1.00 0.00 C ATOM 528 O MET A 35 -3.189 0.564 12.491 1.00 0.00 O ATOM 529 CB MET A 35 -4.953 -1.502 13.722 1.00 0.00 C ATOM 530 CG MET A 35 -4.259 -0.754 14.854 1.00 0.00 C ATOM 531 SD MET A 35 -5.336 0.419 15.706 1.00 0.00 S ATOM 532 CE MET A 35 -5.528 1.698 14.469 1.00 0.00 C ATOM 0 H MET A 35 -5.987 -2.444 11.672 1.00 0.00 H new ATOM 0 HA MET A 35 -5.864 0.211 12.788 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.883 -1.925 14.101 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.323 -2.338 13.418 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.877 -1.476 15.576 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.398 -0.220 14.452 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.516 2.675 14.951 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.709 1.637 13.753 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.476 1.561 13.949 1.00 0.00 H new ATOM 542 N ILE A 36 -3.753 -0.496 10.587 1.00 0.00 N ATOM 543 CA ILE A 36 -2.562 -0.084 9.855 1.00 0.00 C ATOM 544 C ILE A 36 -2.760 1.270 9.168 1.00 0.00 C ATOM 545 O ILE A 36 -1.800 1.883 8.702 1.00 0.00 O ATOM 546 CB ILE A 36 -2.186 -1.146 8.802 1.00 0.00 C ATOM 547 CG1 ILE A 36 -1.779 -2.451 9.489 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.074 -0.644 7.898 1.00 0.00 C ATOM 549 CD1 ILE A 36 -1.403 -3.553 8.523 1.00 0.00 C ATOM 0 H ILE A 36 -4.394 -1.077 10.046 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.753 0.016 10.579 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.060 -1.339 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.935 -2.256 10.150 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.602 -2.794 10.116 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.827 -1.411 7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.403 0.258 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.192 -0.418 8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.126 -4.447 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.253 -3.777 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.559 -3.230 7.913 1.00 0.00 H new ATOM 561 N ALA A 37 -4.004 1.731 9.106 1.00 0.00 N ATOM 562 CA ALA A 37 -4.315 3.008 8.474 1.00 0.00 C ATOM 563 C ALA A 37 -3.566 4.175 9.121 1.00 0.00 C ATOM 564 O ALA A 37 -3.071 5.056 8.418 1.00 0.00 O ATOM 565 CB ALA A 37 -5.817 3.257 8.503 1.00 0.00 C ATOM 0 H ALA A 37 -4.813 1.240 9.485 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.979 2.948 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.037 4.213 8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.329 2.459 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.163 3.277 9.537 1.00 0.00 H new ATOM 571 N PRO A 38 -3.458 4.211 10.465 1.00 0.00 N ATOM 572 CA PRO A 38 -2.753 5.294 11.149 1.00 0.00 C ATOM 573 C PRO A 38 -1.249 5.190 10.948 1.00 0.00 C ATOM 574 O PRO A 38 -0.570 6.197 10.751 1.00 0.00 O ATOM 575 CB PRO A 38 -3.129 5.110 12.619 1.00 0.00 C ATOM 576 CG PRO A 38 -3.498 3.673 12.756 1.00 0.00 C ATOM 577 CD PRO A 38 -3.997 3.214 11.409 1.00 0.00 C ATOM 0 HA PRO A 38 -3.029 6.277 10.766 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.295 5.366 13.273 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.961 5.757 12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.637 3.082 13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.268 3.544 13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.643 2.210 11.174 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.086 3.183 11.377 1.00 0.00 H new ATOM 585 N MET A 39 -0.737 3.965 10.970 1.00 0.00 N ATOM 586 CA MET A 39 0.668 3.727 10.762 1.00 0.00 C ATOM 587 C MET A 39 1.064 4.176 9.363 1.00 0.00 C ATOM 588 O MET A 39 1.933 5.026 9.197 1.00 0.00 O ATOM 589 CB MET A 39 0.957 2.246 10.952 1.00 0.00 C ATOM 590 CG MET A 39 0.795 1.770 12.375 1.00 0.00 C ATOM 591 SD MET A 39 1.137 0.010 12.569 1.00 0.00 S ATOM 592 CE MET A 39 2.842 -0.066 12.023 1.00 0.00 C ATOM 0 H MET A 39 -1.287 3.121 11.132 1.00 0.00 H new ATOM 0 HA MET A 39 1.252 4.298 11.484 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.292 1.670 10.309 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.976 2.039 10.624 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.464 2.338 13.021 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.222 1.976 12.708 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.316 -0.958 12.433 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.874 -0.106 10.934 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.375 0.820 12.369 1.00 0.00 H new ATOM 602 N ILE A 40 0.395 3.613 8.360 1.00 0.00 N ATOM 603 CA ILE A 40 0.655 3.967 6.967 1.00 0.00 C ATOM 604 C ILE A 40 0.726 5.485 6.791 1.00 0.00 C ATOM 605 O ILE A 40 1.404 5.986 5.894 1.00 0.00 O ATOM 606 CB ILE A 40 -0.443 3.399 6.036 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.367 1.874 5.973 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.323 3.990 4.636 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.434 1.253 5.090 1.00 0.00 C ATOM 0 H ILE A 40 -0.332 2.909 8.486 1.00 0.00 H new ATOM 0 HA ILE A 40 1.616 3.530 6.696 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.411 3.680 6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.616 1.582 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.461 1.471 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.105 3.577 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.432 5.073 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.653 3.743 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.321 0.169 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.421 1.516 5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.327 1.628 4.072 1.00 0.00 H new ATOM 621 N GLU A 41 0.011 6.207 7.648 1.00 0.00 N ATOM 622 CA GLU A 41 -0.021 7.664 7.590 1.00 0.00 C ATOM 623 C GLU A 41 1.217 8.280 8.239 1.00 0.00 C ATOM 624 O GLU A 41 1.647 9.370 7.862 1.00 0.00 O ATOM 625 CB GLU A 41 -1.282 8.181 8.283 1.00 0.00 C ATOM 626 CG GLU A 41 -1.407 9.696 8.276 1.00 0.00 C ATOM 627 CD GLU A 41 -2.661 10.180 8.977 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.814 9.896 10.184 1.00 0.00 O ATOM 629 OE2 GLU A 41 -3.491 10.844 8.320 1.00 0.00 O ATOM 0 H GLU A 41 -0.556 5.804 8.394 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.030 7.958 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.156 7.751 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.289 7.830 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.533 10.131 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.411 10.052 7.246 1.00 0.00 H new ATOM 636 N LYS A 42 1.777 7.586 9.222 1.00 0.00 N ATOM 637 CA LYS A 42 2.956 8.077 9.929 1.00 0.00 C ATOM 638 C LYS A 42 4.224 7.947 9.086 1.00 0.00 C ATOM 639 O LYS A 42 5.246 8.555 9.399 1.00 0.00 O ATOM 640 CB LYS A 42 3.131 7.330 11.252 1.00 0.00 C ATOM 641 CG LYS A 42 1.999 7.570 12.239 1.00 0.00 C ATOM 642 CD LYS A 42 2.227 6.823 13.544 1.00 0.00 C ATOM 643 CE LYS A 42 3.506 7.276 14.231 1.00 0.00 C ATOM 644 NZ LYS A 42 3.724 6.566 15.522 1.00 0.00 N ATOM 0 H LYS A 42 1.435 6.682 9.548 1.00 0.00 H new ATOM 0 HA LYS A 42 2.797 9.137 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.205 6.262 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.072 7.634 11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.911 8.638 12.441 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.056 7.251 11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.379 6.984 14.209 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.278 5.752 13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.355 7.098 13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.461 8.350 14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.606 6.903 15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.926 6.756 16.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.793 5.543 15.348 1.00 0.00 H new ATOM 658 N PHE A 43 4.164 7.151 8.023 1.00 0.00 N ATOM 659 CA PHE A 43 5.321 6.955 7.154 1.00 0.00 C ATOM 660 C PHE A 43 5.351 7.966 6.009 1.00 0.00 C ATOM 661 O PHE A 43 6.396 8.193 5.400 1.00 0.00 O ATOM 662 CB PHE A 43 5.340 5.532 6.597 1.00 0.00 C ATOM 663 CG PHE A 43 5.581 4.479 7.640 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.713 4.331 8.708 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.678 3.637 7.551 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.933 3.363 9.670 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.906 2.668 8.510 1.00 0.00 C ATOM 668 CZ PHE A 43 6.030 2.530 9.571 1.00 0.00 C ATOM 0 H PHE A 43 3.331 6.633 7.743 1.00 0.00 H new ATOM 0 HA PHE A 43 6.212 7.113 7.762 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.389 5.332 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.116 5.460 5.835 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.853 4.980 8.791 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.363 3.739 6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.248 3.258 10.498 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.766 2.020 8.431 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.203 1.772 10.321 1.00 0.00 H new ATOM 678 N SER A 44 4.202 8.561 5.712 1.00 0.00 N ATOM 679 CA SER A 44 4.108 9.537 4.629 1.00 0.00 C ATOM 680 C SER A 44 4.879 10.820 4.945 1.00 0.00 C ATOM 681 O SER A 44 5.045 11.675 4.076 1.00 0.00 O ATOM 682 CB SER A 44 2.643 9.870 4.343 1.00 0.00 C ATOM 683 OG SER A 44 2.010 10.408 5.491 1.00 0.00 O ATOM 0 H SER A 44 3.325 8.387 6.203 1.00 0.00 H new ATOM 0 HA SER A 44 4.560 9.086 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.583 10.584 3.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.118 8.970 4.022 1.00 0.00 H new ATOM 0 HG SER A 44 1.844 9.692 6.139 1.00 0.00 H new ATOM 689 N GLU A 45 5.347 10.958 6.183 1.00 0.00 N ATOM 690 CA GLU A 45 6.094 12.148 6.577 1.00 0.00 C ATOM 691 C GLU A 45 7.590 11.961 6.337 1.00 0.00 C ATOM 692 O GLU A 45 8.321 12.932 6.140 1.00 0.00 O ATOM 693 CB GLU A 45 5.841 12.477 8.049 1.00 0.00 C ATOM 694 CG GLU A 45 6.332 11.404 9.004 1.00 0.00 C ATOM 695 CD GLU A 45 6.045 11.738 10.455 1.00 0.00 C ATOM 696 OE1 GLU A 45 4.858 11.901 10.803 1.00 0.00 O ATOM 697 OE2 GLU A 45 7.010 11.838 11.243 1.00 0.00 O ATOM 0 H GLU A 45 5.224 10.268 6.924 1.00 0.00 H new ATOM 0 HA GLU A 45 5.746 12.978 5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.331 13.420 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.772 12.626 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.858 10.455 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.405 11.269 8.872 1.00 0.00 H new ATOM 704 N GLN A 46 8.041 10.710 6.355 1.00 0.00 N ATOM 705 CA GLN A 46 9.452 10.402 6.142 1.00 0.00 C ATOM 706 C GLN A 46 9.753 10.167 4.666 1.00 0.00 C ATOM 707 O GLN A 46 10.870 10.413 4.208 1.00 0.00 O ATOM 708 CB GLN A 46 9.851 9.175 6.958 1.00 0.00 C ATOM 709 CG GLN A 46 9.687 9.379 8.451 1.00 0.00 C ATOM 710 CD GLN A 46 10.077 8.155 9.255 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.218 7.697 9.198 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.127 7.617 10.012 1.00 0.00 N ATOM 0 H GLN A 46 7.451 9.894 6.515 1.00 0.00 H new ATOM 0 HA GLN A 46 10.036 11.261 6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.246 8.324 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.890 8.924 6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.297 10.226 8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.650 9.635 8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.194 8.029 10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.330 6.792 10.576 1.00 0.00 H new ATOM 721 N TYR A 47 8.757 9.696 3.923 1.00 0.00 N ATOM 722 CA TYR A 47 8.930 9.435 2.499 1.00 0.00 C ATOM 723 C TYR A 47 7.912 10.213 1.663 1.00 0.00 C ATOM 724 O TYR A 47 7.284 9.657 0.766 1.00 0.00 O ATOM 725 CB TYR A 47 8.801 7.938 2.226 1.00 0.00 C ATOM 726 CG TYR A 47 9.868 7.112 2.904 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.175 7.103 2.432 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.567 6.347 4.021 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.152 6.349 3.053 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.539 5.590 4.650 1.00 0.00 C ATOM 731 CZ TYR A 47 11.830 5.593 4.161 1.00 0.00 C ATOM 732 OH TYR A 47 12.799 4.841 4.783 1.00 0.00 O ATOM 0 H TYR A 47 7.825 9.488 4.282 1.00 0.00 H new ATOM 0 HA TYR A 47 9.926 9.771 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.821 7.598 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.848 7.767 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.431 7.695 1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.558 6.342 4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.163 6.351 2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.289 5.000 5.519 1.00 0.00 H new ATOM 0 HH TYR A 47 12.476 3.923 4.901 1.00 0.00 H new ATOM 742 N PRO A 48 7.729 11.514 1.962 1.00 0.00 N ATOM 743 CA PRO A 48 6.782 12.375 1.249 1.00 0.00 C ATOM 744 C PRO A 48 6.713 12.094 -0.248 1.00 0.00 C ATOM 745 O PRO A 48 5.640 12.130 -0.851 1.00 0.00 O ATOM 746 CB PRO A 48 7.342 13.769 1.507 1.00 0.00 C ATOM 747 CG PRO A 48 7.983 13.681 2.852 1.00 0.00 C ATOM 748 CD PRO A 48 8.422 12.247 3.038 1.00 0.00 C ATOM 0 HA PRO A 48 5.759 12.224 1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.065 14.052 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.553 14.521 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.835 14.357 2.918 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.282 13.974 3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.504 12.148 2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.142 11.869 4.021 1.00 0.00 H new ATOM 756 N GLN A 49 7.863 11.814 -0.839 1.00 0.00 N ATOM 757 CA GLN A 49 7.939 11.525 -2.271 1.00 0.00 C ATOM 758 C GLN A 49 7.070 10.323 -2.623 1.00 0.00 C ATOM 759 O GLN A 49 6.496 10.252 -3.710 1.00 0.00 O ATOM 760 CB GLN A 49 9.387 11.259 -2.691 1.00 0.00 C ATOM 761 CG GLN A 49 10.320 12.432 -2.439 1.00 0.00 C ATOM 762 CD GLN A 49 11.748 12.142 -2.857 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.380 11.215 -2.350 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.264 12.936 -3.788 1.00 0.00 N ATOM 0 H GLN A 49 8.759 11.779 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 49 7.570 12.397 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.759 10.388 -2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.409 11.010 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.956 13.304 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.300 12.686 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.704 13.692 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.221 12.789 -4.110 1.00 0.00 H new ATOM 773 N ALA A 50 6.976 9.384 -1.694 1.00 0.00 N ATOM 774 CA ALA A 50 6.177 8.185 -1.898 1.00 0.00 C ATOM 775 C ALA A 50 4.744 8.402 -1.429 1.00 0.00 C ATOM 776 O ALA A 50 4.507 8.944 -0.350 1.00 0.00 O ATOM 777 CB ALA A 50 6.803 7.009 -1.162 1.00 0.00 C ATOM 0 H ALA A 50 7.444 9.429 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 50 6.154 7.963 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.198 6.117 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.810 6.837 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.850 7.230 -0.096 1.00 0.00 H new ATOM 783 N ASP A 51 3.788 7.975 -2.248 1.00 0.00 N ATOM 784 CA ASP A 51 2.378 8.125 -1.914 1.00 0.00 C ATOM 785 C ASP A 51 1.883 6.910 -1.141 1.00 0.00 C ATOM 786 O ASP A 51 1.983 5.778 -1.613 1.00 0.00 O ATOM 787 CB ASP A 51 1.544 8.314 -3.183 1.00 0.00 C ATOM 788 CG ASP A 51 1.956 9.542 -3.971 1.00 0.00 C ATOM 789 OD1 ASP A 51 2.887 10.250 -3.530 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.347 9.798 -5.030 1.00 0.00 O ATOM 0 H ASP A 51 3.964 7.524 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 51 2.267 9.010 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.644 7.431 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.491 8.396 -2.913 1.00 0.00 H new ATOM 795 N PHE A 52 1.358 7.150 0.053 1.00 0.00 N ATOM 796 CA PHE A 52 0.858 6.073 0.894 1.00 0.00 C ATOM 797 C PHE A 52 -0.652 5.914 0.757 1.00 0.00 C ATOM 798 O PHE A 52 -1.426 6.663 1.352 1.00 0.00 O ATOM 799 CB PHE A 52 1.235 6.319 2.354 1.00 0.00 C ATOM 800 CG PHE A 52 2.717 6.293 2.597 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.549 7.210 1.978 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.278 5.346 3.439 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.914 7.186 2.194 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.641 5.317 3.660 1.00 0.00 C ATOM 805 CZ PHE A 52 5.461 6.237 3.036 1.00 0.00 C ATOM 0 H PHE A 52 1.268 8.081 0.460 1.00 0.00 H new ATOM 0 HA PHE A 52 1.323 5.146 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.839 7.285 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.758 5.563 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.126 7.953 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.642 4.623 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.552 7.908 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.066 4.575 4.320 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.527 6.214 3.206 1.00 0.00 H new ATOM 815 N TYR A 53 -1.059 4.922 -0.026 1.00 0.00 N ATOM 816 CA TYR A 53 -2.471 4.638 -0.246 1.00 0.00 C ATOM 817 C TYR A 53 -2.828 3.265 0.308 1.00 0.00 C ATOM 818 O TYR A 53 -1.987 2.584 0.893 1.00 0.00 O ATOM 819 CB TYR A 53 -2.805 4.700 -1.737 1.00 0.00 C ATOM 820 CG TYR A 53 -2.927 6.105 -2.281 1.00 0.00 C ATOM 821 CD1 TYR A 53 -3.996 6.918 -1.924 1.00 0.00 C ATOM 822 CD2 TYR A 53 -1.979 6.617 -3.157 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.116 8.199 -2.424 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.092 7.899 -3.661 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.162 8.685 -3.292 1.00 0.00 C ATOM 826 OH TYR A 53 -3.278 9.962 -3.793 1.00 0.00 O ATOM 0 H TYR A 53 -0.425 4.296 -0.523 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.057 5.394 0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.032 4.171 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.742 4.171 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.746 6.541 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.140 6.003 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.953 8.817 -2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.345 8.283 -4.341 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.523 10.149 -4.389 1.00 0.00 H new ATOM 836 N LYS A 54 -4.078 2.861 0.121 1.00 0.00 N ATOM 837 CA LYS A 54 -4.533 1.566 0.603 1.00 0.00 C ATOM 838 C LYS A 54 -5.481 0.930 -0.408 1.00 0.00 C ATOM 839 O LYS A 54 -6.074 1.625 -1.234 1.00 0.00 O ATOM 840 CB LYS A 54 -5.228 1.717 1.959 1.00 0.00 C ATOM 841 CG LYS A 54 -4.575 2.753 2.860 1.00 0.00 C ATOM 842 CD LYS A 54 -5.440 3.071 4.068 1.00 0.00 C ATOM 843 CE LYS A 54 -4.792 4.117 4.952 1.00 0.00 C ATOM 844 NZ LYS A 54 -3.436 3.700 5.387 1.00 0.00 N ATOM 0 H LYS A 54 -4.791 3.410 -0.359 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.666 0.917 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.270 1.993 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.229 0.753 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.605 2.385 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.392 3.666 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.415 3.427 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.612 2.162 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.727 5.061 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.418 4.293 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.091 4.352 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.477 2.735 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.789 3.720 4.573 1.00 0.00 H new ATOM 858 N LEU A 55 -5.612 -0.389 -0.349 1.00 0.00 N ATOM 859 CA LEU A 55 -6.480 -1.107 -1.275 1.00 0.00 C ATOM 860 C LEU A 55 -7.597 -1.831 -0.529 1.00 0.00 C ATOM 861 O LEU A 55 -7.352 -2.518 0.464 1.00 0.00 O ATOM 862 CB LEU A 55 -5.659 -2.105 -2.096 1.00 0.00 C ATOM 863 CG LEU A 55 -6.382 -2.718 -3.298 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.513 -3.628 -2.843 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.913 -1.623 -4.211 1.00 0.00 C ATOM 0 H LEU A 55 -5.131 -0.982 0.327 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.937 -0.381 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.759 -1.603 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.335 -2.912 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.666 -3.321 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.012 -4.052 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.108 -4.433 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.231 -3.052 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.425 -2.074 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.612 -0.996 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.083 -1.013 -4.569 1.00 0.00 H new ATOM 877 N ASP A 56 -8.824 -1.679 -1.020 1.00 0.00 N ATOM 878 CA ASP A 56 -9.978 -2.322 -0.406 1.00 0.00 C ATOM 879 C ASP A 56 -10.133 -3.746 -0.936 1.00 0.00 C ATOM 880 O ASP A 56 -10.383 -3.951 -2.123 1.00 0.00 O ATOM 881 CB ASP A 56 -11.249 -1.517 -0.688 1.00 0.00 C ATOM 882 CG ASP A 56 -12.419 -1.965 0.166 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.807 -3.147 0.069 1.00 0.00 O ATOM 884 OD2 ASP A 56 -12.946 -1.132 0.933 1.00 0.00 O ATOM 0 H ASP A 56 -9.043 -1.116 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.820 -2.362 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.054 -0.460 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.512 -1.616 -1.741 1.00 0.00 H new ATOM 889 N VAL A 57 -9.970 -4.724 -0.051 1.00 0.00 N ATOM 890 CA VAL A 57 -10.081 -6.127 -0.434 1.00 0.00 C ATOM 891 C VAL A 57 -11.538 -6.546 -0.673 1.00 0.00 C ATOM 892 O VAL A 57 -11.803 -7.666 -1.108 1.00 0.00 O ATOM 893 CB VAL A 57 -9.414 -7.037 0.626 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.740 -8.508 0.383 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.906 -6.826 0.603 1.00 0.00 C ATOM 0 H VAL A 57 -9.761 -4.571 0.936 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.553 -6.248 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.808 -6.766 1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.256 -9.119 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.819 -8.654 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.378 -8.803 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.437 -7.467 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.519 -7.076 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.681 -5.783 0.827 1.00 0.00 H new ATOM 905 N ASP A 58 -12.477 -5.638 -0.414 1.00 0.00 N ATOM 906 CA ASP A 58 -13.891 -5.925 -0.634 1.00 0.00 C ATOM 907 C ASP A 58 -14.372 -5.268 -1.922 1.00 0.00 C ATOM 908 O ASP A 58 -14.982 -5.913 -2.774 1.00 0.00 O ATOM 909 CB ASP A 58 -14.736 -5.430 0.544 1.00 0.00 C ATOM 910 CG ASP A 58 -16.219 -5.692 0.351 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.591 -6.270 -0.691 1.00 0.00 O ATOM 912 OD2 ASP A 58 -17.007 -5.319 1.245 1.00 0.00 O ATOM 0 H ASP A 58 -12.285 -4.703 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.006 -7.006 -0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.400 -5.920 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.574 -4.360 0.678 1.00 0.00 H new ATOM 917 N GLU A 59 -14.092 -3.976 -2.051 1.00 0.00 N ATOM 918 CA GLU A 59 -14.493 -3.221 -3.229 1.00 0.00 C ATOM 919 C GLU A 59 -13.599 -3.564 -4.419 1.00 0.00 C ATOM 920 O GLU A 59 -14.075 -3.704 -5.545 1.00 0.00 O ATOM 921 CB GLU A 59 -14.431 -1.720 -2.942 1.00 0.00 C ATOM 922 CG GLU A 59 -15.035 -0.868 -4.044 1.00 0.00 C ATOM 923 CD GLU A 59 -16.524 -1.102 -4.218 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.093 -1.913 -3.456 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.122 -0.474 -5.116 1.00 0.00 O ATOM 0 H GLU A 59 -13.588 -3.430 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.519 -3.492 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.953 -1.515 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.391 -1.428 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.861 0.184 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.526 -1.083 -4.984 1.00 0.00 H new ATOM 932 N LEU A 60 -12.302 -3.702 -4.157 1.00 0.00 N ATOM 933 CA LEU A 60 -11.341 -4.036 -5.202 1.00 0.00 C ATOM 934 C LEU A 60 -10.750 -5.422 -4.968 1.00 0.00 C ATOM 935 O LEU A 60 -9.564 -5.650 -5.206 1.00 0.00 O ATOM 936 CB LEU A 60 -10.217 -2.995 -5.257 1.00 0.00 C ATOM 937 CG LEU A 60 -10.650 -1.579 -5.645 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.607 -1.009 -4.611 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.435 -0.678 -5.804 1.00 0.00 C ATOM 0 H LEU A 60 -11.893 -3.588 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.869 -4.035 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.735 -2.954 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.465 -3.335 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.171 -1.628 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.903 -0.002 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.492 -1.643 -4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.114 -0.973 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.760 0.325 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.887 -0.636 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.786 -1.077 -6.584 1.00 0.00 H new ATOM 951 N GLY A 61 -11.585 -6.344 -4.499 1.00 0.00 N ATOM 952 CA GLY A 61 -11.130 -7.698 -4.238 1.00 0.00 C ATOM 953 C GLY A 61 -10.441 -8.324 -5.436 1.00 0.00 C ATOM 954 O GLY A 61 -9.637 -9.244 -5.286 1.00 0.00 O ATOM 0 H GLY A 61 -12.570 -6.177 -4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.443 -7.689 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.982 -8.314 -3.951 1.00 0.00 H new ATOM 958 N ASP A 62 -10.757 -7.826 -6.628 1.00 0.00 N ATOM 959 CA ASP A 62 -10.164 -8.344 -7.854 1.00 0.00 C ATOM 960 C ASP A 62 -8.668 -8.050 -7.911 1.00 0.00 C ATOM 961 O ASP A 62 -7.903 -8.805 -8.510 1.00 0.00 O ATOM 962 CB ASP A 62 -10.855 -7.748 -9.068 1.00 0.00 C ATOM 963 CG ASP A 62 -12.334 -8.077 -9.115 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.675 -9.277 -9.160 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.153 -7.133 -9.107 1.00 0.00 O ATOM 0 H ASP A 62 -11.421 -7.064 -6.770 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.300 -9.425 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.727 -6.666 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.375 -8.119 -9.974 1.00 0.00 H new ATOM 970 N VAL A 63 -8.257 -6.950 -7.286 1.00 0.00 N ATOM 971 CA VAL A 63 -6.850 -6.567 -7.273 1.00 0.00 C ATOM 972 C VAL A 63 -6.084 -7.373 -6.223 1.00 0.00 C ATOM 973 O VAL A 63 -4.888 -7.624 -6.364 1.00 0.00 O ATOM 974 CB VAL A 63 -6.674 -5.059 -7.000 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.258 -4.617 -7.336 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.694 -4.248 -7.787 1.00 0.00 C ATOM 0 H VAL A 63 -8.875 -6.312 -6.785 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.445 -6.784 -8.261 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.844 -4.880 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.153 -3.550 -7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.548 -5.172 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.057 -4.811 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.553 -3.187 -7.580 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.560 -4.431 -8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.701 -4.544 -7.492 1.00 0.00 H new ATOM 986 N ALA A 64 -6.789 -7.803 -5.180 1.00 0.00 N ATOM 987 CA ALA A 64 -6.180 -8.614 -4.130 1.00 0.00 C ATOM 988 C ALA A 64 -5.933 -10.023 -4.654 1.00 0.00 C ATOM 989 O ALA A 64 -5.040 -10.730 -4.187 1.00 0.00 O ATOM 990 CB ALA A 64 -7.079 -8.653 -2.902 1.00 0.00 C ATOM 0 H ALA A 64 -7.780 -7.604 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.228 -8.169 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.611 -9.261 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.227 -7.640 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.043 -9.085 -3.170 1.00 0.00 H new ATOM 996 N GLN A 65 -6.737 -10.417 -5.642 1.00 0.00 N ATOM 997 CA GLN A 65 -6.621 -11.731 -6.257 1.00 0.00 C ATOM 998 C GLN A 65 -5.664 -11.691 -7.446 1.00 0.00 C ATOM 999 O GLN A 65 -4.938 -12.653 -7.700 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.997 -12.225 -6.711 1.00 0.00 C ATOM 1001 CG GLN A 65 -7.964 -13.590 -7.378 1.00 0.00 C ATOM 1002 CD GLN A 65 -9.335 -14.050 -7.833 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -9.985 -13.394 -8.648 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.782 -15.185 -7.308 1.00 0.00 N ATOM 0 H GLN A 65 -7.479 -9.837 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.221 -12.421 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.661 -12.268 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.423 -11.501 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.293 -13.555 -8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.552 -14.321 -6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.210 -15.696 -6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.697 -15.546 -7.577 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.663 -10.573 -8.173 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.787 -10.425 -9.332 1.00 0.00 C ATOM 1015 C LYS A 66 -3.328 -10.543 -8.902 1.00 0.00 C ATOM 1016 O LYS A 66 -2.548 -11.286 -9.498 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.033 -9.084 -10.039 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.418 -7.885 -9.336 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.716 -6.590 -10.076 1.00 0.00 C ATOM 1020 CE LYS A 66 -4.149 -6.611 -11.486 1.00 0.00 C ATOM 1021 NZ LYS A 66 -2.673 -6.803 -11.489 1.00 0.00 N ATOM 0 H LYS A 66 -6.254 -9.764 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.013 -11.223 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.633 -9.141 -11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.108 -8.926 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.804 -7.821 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.339 -8.021 -9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.794 -6.434 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.294 -5.750 -9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.620 -7.413 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.394 -5.676 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.300 -6.610 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.237 -6.150 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.450 -7.783 -11.222 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.972 -9.810 -7.851 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.627 -9.829 -7.319 1.00 0.00 C ATOM 1037 C ASN A 67 -1.415 -11.045 -6.417 1.00 0.00 C ATOM 1038 O ASN A 67 -0.312 -11.279 -5.923 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.382 -8.547 -6.533 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.453 -7.310 -7.407 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.685 -7.161 -8.358 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.380 -6.414 -7.089 1.00 0.00 N ATOM 0 H ASN A 67 -3.610 -9.191 -7.351 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.920 -9.895 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.120 -8.467 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.402 -8.597 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.476 -5.562 -7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.996 -6.578 -6.292 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.481 -11.817 -6.211 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.420 -13.008 -5.376 1.00 0.00 C ATOM 1051 C GLU A 68 -2.099 -12.653 -3.927 1.00 0.00 C ATOM 1052 O GLU A 68 -1.298 -13.327 -3.278 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.375 -13.982 -5.924 1.00 0.00 C ATOM 1054 CG GLU A 68 -1.646 -14.411 -7.357 1.00 0.00 C ATOM 1055 CD GLU A 68 -2.933 -15.201 -7.501 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -3.611 -15.428 -6.476 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -3.262 -15.597 -8.639 1.00 0.00 O ATOM 0 H GLU A 68 -3.400 -11.635 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.400 -13.485 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.391 -13.516 -5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.343 -14.866 -5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.695 -13.527 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.812 -15.015 -7.714 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.730 -11.596 -3.419 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.502 -11.173 -2.044 1.00 0.00 C ATOM 1066 C VAL A 69 -3.662 -11.586 -1.144 1.00 0.00 C ATOM 1067 O VAL A 69 -4.757 -11.031 -1.234 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.308 -9.649 -1.948 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -2.022 -9.236 -0.513 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -1.190 -9.194 -2.875 1.00 0.00 C ATOM 0 H VAL A 69 -3.397 -11.023 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.590 -11.667 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.231 -9.163 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.888 -8.155 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.858 -9.526 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.114 -9.730 -0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.067 -8.114 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.260 -9.687 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.441 -9.454 -3.903 1.00 0.00 H new ATOM 1080 N SER A 70 -3.414 -12.560 -0.273 1.00 0.00 N ATOM 1081 CA SER A 70 -4.439 -13.040 0.643 1.00 0.00 C ATOM 1082 C SER A 70 -3.876 -13.290 2.041 1.00 0.00 C ATOM 1083 O SER A 70 -4.483 -13.995 2.847 1.00 0.00 O ATOM 1084 CB SER A 70 -5.089 -14.303 0.102 1.00 0.00 C ATOM 1085 OG SER A 70 -5.973 -14.871 1.052 1.00 0.00 O ATOM 0 H SER A 70 -2.513 -13.030 -0.184 1.00 0.00 H new ATOM 0 HA SER A 70 -5.196 -12.260 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.634 -14.071 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.319 -15.028 -0.161 1.00 0.00 H new ATOM 0 HG SER A 70 -5.535 -14.904 1.928 1.00 0.00 H new ATOM 1091 N ALA A 71 -2.723 -12.690 2.331 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.097 -12.830 3.643 1.00 0.00 C ATOM 1093 C ALA A 71 -2.416 -11.611 4.504 1.00 0.00 C ATOM 1094 O ALA A 71 -1.596 -11.162 5.304 1.00 0.00 O ATOM 1095 CB ALA A 71 -0.594 -13.013 3.500 1.00 0.00 C ATOM 0 H ALA A 71 -2.205 -12.104 1.677 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.499 -13.717 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.144 -13.116 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.391 -13.909 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.168 -12.145 2.996 1.00 0.00 H new ATOM 1101 N MET A 72 -3.624 -11.089 4.303 1.00 0.00 N ATOM 1102 CA MET A 72 -4.138 -9.913 5.008 1.00 0.00 C ATOM 1103 C MET A 72 -3.437 -9.625 6.341 1.00 0.00 C ATOM 1104 O MET A 72 -3.465 -10.448 7.256 1.00 0.00 O ATOM 1105 CB MET A 72 -5.636 -10.076 5.249 1.00 0.00 C ATOM 1106 CG MET A 72 -6.008 -11.276 6.111 1.00 0.00 C ATOM 1107 SD MET A 72 -5.699 -12.860 5.304 1.00 0.00 S ATOM 1108 CE MET A 72 -6.681 -12.681 3.818 1.00 0.00 C ATOM 0 H MET A 72 -4.287 -11.478 3.633 1.00 0.00 H new ATOM 0 HA MET A 72 -3.933 -9.059 4.362 1.00 0.00 H new ATOM 0 HB2 MET A 72 -6.016 -9.171 5.724 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.139 -10.166 4.286 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.443 -11.234 7.042 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.063 -11.211 6.376 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.977 -13.666 3.456 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.572 -12.093 4.039 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.093 -12.175 3.052 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.807 -8.435 6.478 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.742 -7.422 5.424 1.00 0.00 C ATOM 1120 C PRO A 73 -1.565 -7.659 4.477 1.00 0.00 C ATOM 1121 O PRO A 73 -0.989 -8.745 4.461 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.549 -6.137 6.213 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.746 -6.549 7.395 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.095 -7.993 7.687 1.00 0.00 C ATOM 0 HA PRO A 73 -3.623 -7.420 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.030 -5.382 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.505 -5.706 6.512 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.680 -6.443 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.972 -5.917 8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.202 -8.592 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.721 -8.081 8.575 1.00 0.00 H new ATOM 1132 N THR A 74 -1.208 -6.642 3.694 1.00 0.00 N ATOM 1133 CA THR A 74 -0.092 -6.765 2.757 1.00 0.00 C ATOM 1134 C THR A 74 0.410 -5.397 2.308 1.00 0.00 C ATOM 1135 O THR A 74 -0.283 -4.392 2.447 1.00 0.00 O ATOM 1136 CB THR A 74 -0.511 -7.587 1.536 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.881 -8.901 1.920 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.577 -7.690 0.479 1.00 0.00 C ATOM 0 H THR A 74 -1.670 -5.733 3.689 1.00 0.00 H new ATOM 0 HA THR A 74 0.720 -7.275 3.275 1.00 0.00 H new ATOM 0 HB THR A 74 -1.358 -7.055 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.840 -8.925 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.215 -8.285 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.839 -6.692 0.128 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.458 -8.167 0.909 1.00 0.00 H new ATOM 1146 N LEU A 75 1.622 -5.372 1.759 1.00 0.00 N ATOM 1147 CA LEU A 75 2.220 -4.133 1.275 1.00 0.00 C ATOM 1148 C LEU A 75 2.669 -4.277 -0.175 1.00 0.00 C ATOM 1149 O LEU A 75 3.491 -5.134 -0.499 1.00 0.00 O ATOM 1150 CB LEU A 75 3.417 -3.741 2.140 1.00 0.00 C ATOM 1151 CG LEU A 75 3.112 -3.527 3.622 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.364 -3.075 4.352 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.993 -2.511 3.795 1.00 0.00 C ATOM 0 H LEU A 75 2.209 -6.197 1.639 1.00 0.00 H new ATOM 0 HA LEU A 75 1.462 -3.352 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.178 -4.517 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.849 -2.824 1.739 1.00 0.00 H new ATOM 0 HG LEU A 75 2.781 -4.473 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.136 -2.925 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.138 -3.836 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.718 -2.139 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.789 -2.371 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.294 -1.560 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.093 -2.873 3.297 1.00 0.00 H new ATOM 1165 N LEU A 76 2.129 -3.430 -1.043 1.00 0.00 N ATOM 1166 CA LEU A 76 2.479 -3.457 -2.458 1.00 0.00 C ATOM 1167 C LEU A 76 3.077 -2.121 -2.888 1.00 0.00 C ATOM 1168 O LEU A 76 2.458 -1.071 -2.716 1.00 0.00 O ATOM 1169 CB LEU A 76 1.241 -3.785 -3.304 1.00 0.00 C ATOM 1170 CG LEU A 76 0.641 -5.179 -3.072 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.389 -5.503 -4.145 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.728 -6.243 -3.044 1.00 0.00 C ATOM 0 H LEU A 76 1.446 -2.715 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 76 3.227 -4.234 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.473 -3.038 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.505 -3.692 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 76 0.144 -5.174 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.803 -6.495 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.190 -4.764 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.088 -5.482 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.276 -7.221 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.259 -6.246 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.429 -6.026 -2.238 1.00 0.00 H new ATOM 1184 N LEU A 77 4.289 -2.161 -3.447 1.00 0.00 N ATOM 1185 CA LEU A 77 4.958 -0.947 -3.892 1.00 0.00 C ATOM 1186 C LEU A 77 5.015 -0.900 -5.413 1.00 0.00 C ATOM 1187 O LEU A 77 5.110 -1.939 -6.070 1.00 0.00 O ATOM 1188 CB LEU A 77 6.371 -0.866 -3.307 1.00 0.00 C ATOM 1189 CG LEU A 77 6.442 -0.824 -1.778 1.00 0.00 C ATOM 1190 CD1 LEU A 77 5.905 -2.115 -1.178 1.00 0.00 C ATOM 1191 CD2 LEU A 77 7.870 -0.574 -1.319 1.00 0.00 C ATOM 0 H LEU A 77 4.821 -3.018 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 77 4.386 -0.090 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.942 -1.726 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.860 0.024 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 77 5.818 -0.001 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.965 -2.063 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.866 -2.251 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.499 -2.957 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.903 -0.547 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.514 -1.375 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.218 0.380 -1.716 1.00 0.00 H new ATOM 1203 N PHE A 78 4.940 0.310 -5.966 1.00 0.00 N ATOM 1204 CA PHE A 78 4.960 0.496 -7.415 1.00 0.00 C ATOM 1205 C PHE A 78 5.722 1.765 -7.799 1.00 0.00 C ATOM 1206 O PHE A 78 5.449 2.840 -7.265 1.00 0.00 O ATOM 1207 CB PHE A 78 3.519 0.591 -7.916 1.00 0.00 C ATOM 1208 CG PHE A 78 2.657 -0.550 -7.452 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.739 -1.795 -8.053 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.777 -0.377 -6.395 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.955 -2.846 -7.612 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.992 -1.423 -5.951 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.080 -2.658 -6.558 1.00 0.00 C ATOM 0 H PHE A 78 4.865 1.176 -5.432 1.00 0.00 H new ATOM 0 HA PHE A 78 5.468 -0.352 -7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.083 1.530 -7.575 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.520 0.618 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.423 -1.947 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.704 0.587 -5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.026 -3.812 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.309 -1.274 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.467 -3.477 -6.211 1.00 0.00 H new ATOM 1223 N LYS A 79 6.672 1.648 -8.732 1.00 0.00 N ATOM 1224 CA LYS A 79 7.444 2.814 -9.170 1.00 0.00 C ATOM 1225 C LYS A 79 7.076 3.218 -10.599 1.00 0.00 C ATOM 1226 O LYS A 79 7.075 2.387 -11.505 1.00 0.00 O ATOM 1227 CB LYS A 79 8.947 2.536 -9.086 1.00 0.00 C ATOM 1228 CG LYS A 79 9.471 2.359 -7.668 1.00 0.00 C ATOM 1229 CD LYS A 79 10.985 2.211 -7.651 1.00 0.00 C ATOM 1230 CE LYS A 79 11.450 1.069 -8.542 1.00 0.00 C ATOM 1231 NZ LYS A 79 12.929 0.895 -8.497 1.00 0.00 N ATOM 0 H LYS A 79 6.922 0.773 -9.192 1.00 0.00 H new ATOM 0 HA LYS A 79 7.196 3.637 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.171 1.636 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.484 3.358 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.181 3.217 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.013 1.479 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.445 3.142 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.322 2.035 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.966 0.144 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.138 1.260 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.205 0.107 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.391 1.769 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.225 0.687 -7.522 1.00 0.00 H new ATOM 1245 N ASN A 80 6.775 4.505 -10.795 1.00 0.00 N ATOM 1246 CA ASN A 80 6.419 5.024 -12.118 1.00 0.00 C ATOM 1247 C ASN A 80 5.414 4.118 -12.835 1.00 0.00 C ATOM 1248 O ASN A 80 5.711 3.558 -13.888 1.00 0.00 O ATOM 1249 CB ASN A 80 7.677 5.187 -12.974 1.00 0.00 C ATOM 1250 CG ASN A 80 8.673 6.150 -12.360 1.00 0.00 C ATOM 1251 OD1 ASN A 80 9.155 5.937 -11.246 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.987 7.218 -13.084 1.00 0.00 N ATOM 0 H ASN A 80 6.771 5.206 -10.054 1.00 0.00 H new ATOM 0 HA ASN A 80 5.946 5.995 -11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.151 4.215 -13.107 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.395 5.543 -13.965 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.652 7.902 -12.722 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.564 7.354 -14.002 1.00 0.00 H new ATOM 1259 N GLY A 81 4.222 3.997 -12.263 1.00 0.00 N ATOM 1260 CA GLY A 81 3.177 3.179 -12.854 1.00 0.00 C ATOM 1261 C GLY A 81 3.623 1.764 -13.170 1.00 0.00 C ATOM 1262 O GLY A 81 3.020 1.089 -14.003 1.00 0.00 O ATOM 0 H GLY A 81 3.958 4.456 -11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.328 3.140 -12.172 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.828 3.655 -13.771 1.00 0.00 H new ATOM 1266 N LYS A 82 4.672 1.311 -12.498 1.00 0.00 N ATOM 1267 CA LYS A 82 5.190 -0.035 -12.703 1.00 0.00 C ATOM 1268 C LYS A 82 5.255 -0.765 -11.367 1.00 0.00 C ATOM 1269 O LYS A 82 4.531 -0.427 -10.435 1.00 0.00 O ATOM 1270 CB LYS A 82 6.573 0.026 -13.369 1.00 0.00 C ATOM 1271 CG LYS A 82 6.559 0.680 -14.741 1.00 0.00 C ATOM 1272 CD LYS A 82 7.956 0.757 -15.336 1.00 0.00 C ATOM 1273 CE LYS A 82 7.944 1.422 -16.703 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.309 1.513 -17.290 1.00 0.00 N ATOM 0 H LYS A 82 5.182 1.857 -11.804 1.00 0.00 H new ATOM 0 HA LYS A 82 4.523 -0.585 -13.366 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.255 0.576 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.967 -0.986 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.909 0.114 -15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.140 1.683 -14.663 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.608 1.315 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.372 -0.247 -15.422 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.297 0.858 -17.375 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.519 2.422 -16.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.256 1.972 -18.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.920 2.073 -16.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.705 0.557 -17.397 1.00 0.00 H new ATOM 1288 N GLU A 83 6.114 -1.762 -11.275 1.00 0.00 N ATOM 1289 CA GLU A 83 6.262 -2.528 -10.050 1.00 0.00 C ATOM 1290 C GLU A 83 7.598 -2.189 -9.396 1.00 0.00 C ATOM 1291 O GLU A 83 8.385 -1.427 -9.955 1.00 0.00 O ATOM 1292 CB GLU A 83 6.170 -4.028 -10.373 1.00 0.00 C ATOM 1293 CG GLU A 83 6.270 -4.946 -9.163 1.00 0.00 C ATOM 1294 CD GLU A 83 5.965 -6.390 -9.504 1.00 0.00 C ATOM 1295 OE1 GLU A 83 4.840 -6.666 -9.975 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.850 -7.248 -9.304 1.00 0.00 O ATOM 0 H GLU A 83 6.723 -2.062 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 83 5.464 -2.275 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.224 -4.219 -10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.965 -4.284 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.273 -4.879 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.578 -4.604 -8.393 1.00 0.00 H new ATOM 1303 N VAL A 84 7.841 -2.728 -8.208 1.00 0.00 N ATOM 1304 CA VAL A 84 9.082 -2.459 -7.498 1.00 0.00 C ATOM 1305 C VAL A 84 9.330 -3.485 -6.412 1.00 0.00 C ATOM 1306 O VAL A 84 10.346 -4.179 -6.419 1.00 0.00 O ATOM 1307 CB VAL A 84 9.079 -1.057 -6.872 1.00 0.00 C ATOM 1308 CG1 VAL A 84 7.857 -0.846 -6.010 1.00 0.00 C ATOM 1309 CG2 VAL A 84 10.348 -0.808 -6.071 1.00 0.00 C ATOM 0 H VAL A 84 7.198 -3.351 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 84 9.883 -2.518 -8.235 1.00 0.00 H new ATOM 0 HB VAL A 84 9.047 -0.335 -7.688 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.883 0.156 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.959 -0.957 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.845 -1.584 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.316 0.193 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.424 -1.545 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.215 -0.893 -6.727 1.00 0.00 H new ATOM 1319 N ALA A 85 8.406 -3.570 -5.470 1.00 0.00 N ATOM 1320 CA ALA A 85 8.556 -4.515 -4.370 1.00 0.00 C ATOM 1321 C ALA A 85 7.224 -4.904 -3.745 1.00 0.00 C ATOM 1322 O ALA A 85 6.194 -4.274 -3.990 1.00 0.00 O ATOM 1323 CB ALA A 85 9.482 -3.936 -3.311 1.00 0.00 C ATOM 0 H ALA A 85 7.556 -3.007 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 85 8.991 -5.425 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.589 -4.648 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.460 -3.739 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.062 -3.005 -2.930 1.00 0.00 H new ATOM 1329 N LYS A 86 7.269 -5.948 -2.926 1.00 0.00 N ATOM 1330 CA LYS A 86 6.091 -6.448 -2.234 1.00 0.00 C ATOM 1331 C LYS A 86 6.482 -7.083 -0.918 1.00 0.00 C ATOM 1332 O LYS A 86 7.386 -7.919 -0.868 1.00 0.00 O ATOM 1333 CB LYS A 86 5.353 -7.470 -3.090 1.00 0.00 C ATOM 1334 CG LYS A 86 4.742 -6.864 -4.329 1.00 0.00 C ATOM 1335 CD LYS A 86 3.975 -7.893 -5.142 1.00 0.00 C ATOM 1336 CE LYS A 86 4.874 -9.032 -5.595 1.00 0.00 C ATOM 1337 NZ LYS A 86 5.997 -8.550 -6.446 1.00 0.00 N ATOM 0 H LYS A 86 8.122 -6.470 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 86 5.430 -5.602 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.045 -8.260 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.568 -7.937 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.072 -6.053 -4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.528 -6.427 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.155 -8.292 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.530 -7.411 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.275 -9.547 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.284 -9.761 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.485 -9.364 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.624 -7.938 -7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.668 -8.011 -5.863 1.00 0.00 H new ATOM 1351 N VAL A 87 5.802 -6.696 0.146 1.00 0.00 N ATOM 1352 CA VAL A 87 6.096 -7.250 1.449 1.00 0.00 C ATOM 1353 C VAL A 87 4.834 -7.395 2.289 1.00 0.00 C ATOM 1354 O VAL A 87 4.455 -6.483 3.021 1.00 0.00 O ATOM 1355 CB VAL A 87 7.125 -6.386 2.209 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.486 -7.019 3.547 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.369 -6.171 1.361 1.00 0.00 C ATOM 0 H VAL A 87 5.050 -6.007 0.132 1.00 0.00 H new ATOM 0 HA VAL A 87 6.522 -8.239 1.282 1.00 0.00 H new ATOM 0 HB VAL A 87 6.673 -5.415 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.212 -6.391 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.589 -7.113 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.915 -8.007 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.084 -5.560 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.821 -7.135 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.095 -5.664 0.436 1.00 0.00 H new ATOM 1367 N VAL A 88 4.190 -8.553 2.185 1.00 0.00 N ATOM 1368 CA VAL A 88 2.976 -8.815 2.944 1.00 0.00 C ATOM 1369 C VAL A 88 3.249 -8.740 4.444 1.00 0.00 C ATOM 1370 O VAL A 88 3.567 -9.743 5.081 1.00 0.00 O ATOM 1371 CB VAL A 88 2.373 -10.192 2.592 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.436 -11.276 2.674 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.200 -10.518 3.509 1.00 0.00 C ATOM 0 H VAL A 88 4.488 -9.321 1.584 1.00 0.00 H new ATOM 0 HA VAL A 88 2.253 -8.045 2.673 1.00 0.00 H new ATOM 0 HB VAL A 88 2.002 -10.151 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.993 -12.240 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.239 -11.052 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.839 -11.315 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.790 -11.493 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.542 -10.538 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.428 -9.757 3.397 1.00 0.00 H new ATOM 1383 N GLY A 89 3.120 -7.540 4.999 1.00 0.00 N ATOM 1384 CA GLY A 89 3.353 -7.346 6.417 1.00 0.00 C ATOM 1385 C GLY A 89 4.149 -6.088 6.707 1.00 0.00 C ATOM 1386 O GLY A 89 5.370 -6.069 6.552 1.00 0.00 O ATOM 0 H GLY A 89 2.857 -6.696 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.396 -7.294 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.885 -8.209 6.816 1.00 0.00 H new ATOM 1390 N ALA A 90 3.456 -5.034 7.127 1.00 0.00 N ATOM 1391 CA ALA A 90 4.105 -3.766 7.439 1.00 0.00 C ATOM 1392 C ALA A 90 4.834 -3.838 8.774 1.00 0.00 C ATOM 1393 O ALA A 90 4.525 -3.091 9.704 1.00 0.00 O ATOM 1394 CB ALA A 90 3.082 -2.639 7.449 1.00 0.00 C ATOM 0 H ALA A 90 2.445 -5.033 7.259 1.00 0.00 H new ATOM 0 HA ALA A 90 4.844 -3.562 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.580 -1.698 7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.611 -2.566 6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.322 -2.845 8.202 1.00 0.00 H new ATOM 1400 N ASN A 91 5.809 -4.734 8.857 1.00 0.00 N ATOM 1401 CA ASN A 91 6.590 -4.896 10.073 1.00 0.00 C ATOM 1402 C ASN A 91 7.608 -3.765 10.196 1.00 0.00 C ATOM 1403 O ASN A 91 8.298 -3.440 9.232 1.00 0.00 O ATOM 1404 CB ASN A 91 7.305 -6.249 10.068 1.00 0.00 C ATOM 1405 CG ASN A 91 8.083 -6.503 11.345 1.00 0.00 C ATOM 1406 OD1 ASN A 91 9.395 -6.657 11.217 1.00 0.00 O flip ATOM 1407 ND2 ASN A 91 7.511 -6.559 12.432 1.00 0.00 N flip ATOM 0 H ASN A 91 6.077 -5.359 8.096 1.00 0.00 H new ATOM 0 HA ASN A 91 5.916 -4.860 10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.571 -7.043 9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.985 -6.293 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.500 -6.435 12.483 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.048 -6.730 13.282 1.00 0.00 H new ATOM 1414 N PRO A 92 7.716 -3.144 11.383 1.00 0.00 N ATOM 1415 CA PRO A 92 8.657 -2.045 11.615 1.00 0.00 C ATOM 1416 C PRO A 92 10.040 -2.314 11.025 1.00 0.00 C ATOM 1417 O PRO A 92 10.791 -1.383 10.735 1.00 0.00 O ATOM 1418 CB PRO A 92 8.727 -1.977 13.138 1.00 0.00 C ATOM 1419 CG PRO A 92 7.370 -2.399 13.576 1.00 0.00 C ATOM 1420 CD PRO A 92 6.933 -3.457 12.596 1.00 0.00 C ATOM 0 HA PRO A 92 8.333 -1.120 11.139 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.498 -2.638 13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.963 -0.970 13.483 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.392 -2.792 14.592 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.679 -1.556 13.575 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.148 -4.460 12.965 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.861 -3.410 12.405 1.00 0.00 H new ATOM 1428 N ALA A 93 10.371 -3.590 10.855 1.00 0.00 N ATOM 1429 CA ALA A 93 11.665 -3.975 10.308 1.00 0.00 C ATOM 1430 C ALA A 93 11.601 -4.216 8.800 1.00 0.00 C ATOM 1431 O ALA A 93 12.390 -4.993 8.261 1.00 0.00 O ATOM 1432 CB ALA A 93 12.185 -5.217 11.020 1.00 0.00 C ATOM 0 H ALA A 93 9.761 -4.374 11.088 1.00 0.00 H new ATOM 0 HA ALA A 93 12.353 -3.147 10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.153 -5.497 10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.295 -5.007 12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.480 -6.037 10.882 1.00 0.00 H new ATOM 1438 N ALA A 94 10.672 -3.551 8.115 1.00 0.00 N ATOM 1439 CA ALA A 94 10.548 -3.719 6.669 1.00 0.00 C ATOM 1440 C ALA A 94 9.716 -2.620 6.028 1.00 0.00 C ATOM 1441 O ALA A 94 10.163 -1.972 5.081 1.00 0.00 O ATOM 1442 CB ALA A 94 9.974 -5.088 6.338 1.00 0.00 C ATOM 0 H ALA A 94 10.004 -2.901 8.530 1.00 0.00 H new ATOM 0 HA ALA A 94 11.552 -3.645 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.889 -5.195 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.633 -5.863 6.729 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.988 -5.188 6.791 1.00 0.00 H new ATOM 1448 N ILE A 95 8.512 -2.400 6.536 1.00 0.00 N ATOM 1449 CA ILE A 95 7.641 -1.366 5.997 1.00 0.00 C ATOM 1450 C ILE A 95 8.377 -0.032 5.851 1.00 0.00 C ATOM 1451 O ILE A 95 7.918 0.857 5.138 1.00 0.00 O ATOM 1452 CB ILE A 95 6.399 -1.172 6.890 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.508 -0.041 6.365 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.821 -0.890 8.324 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.105 -0.193 4.913 1.00 0.00 C ATOM 0 H ILE A 95 8.117 -2.922 7.318 1.00 0.00 H new ATOM 0 HA ILE A 95 7.324 -1.698 5.008 1.00 0.00 H new ATOM 0 HB ILE A 95 5.819 -2.095 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.608 0.011 6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.032 0.907 6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.935 -0.755 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.405 -1.729 8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.426 0.016 8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.476 0.648 4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.998 -0.214 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.551 -1.123 4.785 1.00 0.00 H new ATOM 1467 N LYS A 96 9.519 0.105 6.524 1.00 0.00 N ATOM 1468 CA LYS A 96 10.298 1.339 6.440 1.00 0.00 C ATOM 1469 C LYS A 96 11.348 1.251 5.339 1.00 0.00 C ATOM 1470 O LYS A 96 11.451 2.136 4.490 1.00 0.00 O ATOM 1471 CB LYS A 96 10.952 1.677 7.784 1.00 0.00 C ATOM 1472 CG LYS A 96 12.050 0.714 8.208 1.00 0.00 C ATOM 1473 CD LYS A 96 12.666 1.132 9.533 1.00 0.00 C ATOM 1474 CE LYS A 96 13.832 0.236 9.915 1.00 0.00 C ATOM 1475 NZ LYS A 96 13.414 -1.184 10.065 1.00 0.00 N ATOM 0 H LYS A 96 9.921 -0.613 7.126 1.00 0.00 H new ATOM 0 HA LYS A 96 9.608 2.145 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.369 2.683 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.182 1.693 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.641 -0.292 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.823 0.678 7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.007 2.165 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.907 1.096 10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.609 0.307 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.268 0.587 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.040 -1.660 10.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.434 -1.223 10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.475 -1.663 9.144 1.00 0.00 H new ATOM 1489 N GLN A 97 12.133 0.179 5.372 1.00 0.00 N ATOM 1490 CA GLN A 97 13.186 -0.027 4.388 1.00 0.00 C ATOM 1491 C GLN A 97 12.597 -0.323 3.018 1.00 0.00 C ATOM 1492 O GLN A 97 13.173 0.039 1.992 1.00 0.00 O ATOM 1493 CB GLN A 97 14.097 -1.175 4.821 1.00 0.00 C ATOM 1494 CG GLN A 97 14.772 -0.942 6.163 1.00 0.00 C ATOM 1495 CD GLN A 97 15.679 -2.087 6.568 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.385 -2.700 7.708 1.00 0.00 O flip ATOM 1497 NE2 GLN A 97 16.635 -2.415 5.863 1.00 0.00 N flip ATOM 0 H GLN A 97 12.059 -0.560 6.071 1.00 0.00 H new ATOM 0 HA GLN A 97 13.772 0.890 4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.512 -2.093 4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.862 -1.327 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.354 -0.021 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.010 -0.799 6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.823 -1.915 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.238 -3.187 6.148 1.00 0.00 H new ATOM 1506 N ALA A 98 11.442 -0.977 3.005 1.00 0.00 N ATOM 1507 CA ALA A 98 10.776 -1.312 1.752 1.00 0.00 C ATOM 1508 C ALA A 98 10.484 -0.049 0.949 1.00 0.00 C ATOM 1509 O ALA A 98 10.523 -0.053 -0.282 1.00 0.00 O ATOM 1510 CB ALA A 98 9.491 -2.080 2.022 1.00 0.00 C ATOM 0 H ALA A 98 10.949 -1.285 3.843 1.00 0.00 H new ATOM 0 HA ALA A 98 11.441 -1.947 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.006 -2.322 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.723 -3.001 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.822 -1.468 2.626 1.00 0.00 H new ATOM 1516 N ILE A 99 10.193 1.031 1.664 1.00 0.00 N ATOM 1517 CA ILE A 99 9.894 2.315 1.050 1.00 0.00 C ATOM 1518 C ILE A 99 11.159 3.156 0.867 1.00 0.00 C ATOM 1519 O ILE A 99 11.142 4.174 0.175 1.00 0.00 O ATOM 1520 CB ILE A 99 8.862 3.095 1.898 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.505 2.390 1.856 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.728 4.531 1.409 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.515 0.993 2.436 1.00 0.00 C ATOM 0 H ILE A 99 10.158 1.040 2.683 1.00 0.00 H new ATOM 0 HA ILE A 99 9.471 2.117 0.065 1.00 0.00 H new ATOM 0 HB ILE A 99 9.216 3.120 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.778 2.992 2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.166 2.340 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.996 5.057 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.693 5.033 1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.399 4.532 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.515 0.564 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.215 0.372 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.821 1.035 3.481 1.00 0.00 H new ATOM 1535 N ALA A 100 12.254 2.728 1.489 1.00 0.00 N ATOM 1536 CA ALA A 100 13.518 3.447 1.390 1.00 0.00 C ATOM 1537 C ALA A 100 14.342 2.944 0.213 1.00 0.00 C ATOM 1538 O ALA A 100 14.622 3.690 -0.725 1.00 0.00 O ATOM 1539 CB ALA A 100 14.307 3.309 2.685 1.00 0.00 C ATOM 0 H ALA A 100 12.290 1.888 2.066 1.00 0.00 H new ATOM 0 HA ALA A 100 13.296 4.501 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.249 3.851 2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.727 3.722 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.511 2.255 2.876 1.00 0.00 H new ATOM 1545 N ALA A 101 14.727 1.674 0.268 1.00 0.00 N ATOM 1546 CA ALA A 101 15.517 1.070 -0.797 1.00 0.00 C ATOM 1547 C ALA A 101 14.819 1.214 -2.144 1.00 0.00 C ATOM 1548 O ALA A 101 15.468 1.251 -3.190 1.00 0.00 O ATOM 1549 CB ALA A 101 15.782 -0.396 -0.492 1.00 0.00 C ATOM 0 H ALA A 101 14.505 1.044 1.038 1.00 0.00 H new ATOM 0 HA ALA A 101 16.470 1.595 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.373 -0.834 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.329 -0.479 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.834 -0.927 -0.408 1.00 0.00 H new ATOM 1555 N ASN A 102 13.493 1.299 -2.114 1.00 0.00 N ATOM 1556 CA ASN A 102 12.707 1.440 -3.323 1.00 0.00 C ATOM 1557 C ASN A 102 12.637 2.900 -3.758 1.00 0.00 C ATOM 1558 O ASN A 102 12.928 3.232 -4.907 1.00 0.00 O ATOM 1559 CB ASN A 102 11.303 0.895 -3.082 1.00 0.00 C ATOM 1560 CG ASN A 102 11.262 -0.613 -2.854 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.191 -1.180 -2.641 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.418 -1.276 -2.898 1.00 0.00 N ATOM 0 H ASN A 102 12.942 1.272 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 102 13.186 0.873 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.872 1.397 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.675 1.141 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.433 -2.285 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.288 -0.774 -3.077 1.00 0.00 H new ATOM 1569 N ALA A 103 12.251 3.770 -2.830 1.00 0.00 N ATOM 1570 CA ALA A 103 12.142 5.195 -3.116 1.00 0.00 C ATOM 1571 C ALA A 103 13.385 5.944 -2.647 1.00 0.00 C ATOM 1572 O ALA A 103 13.269 7.149 -2.342 1.00 0.00 O ATOM 1573 CB ALA A 103 10.897 5.774 -2.462 1.00 0.00 C ATOM 1574 OXT ALA A 103 14.465 5.320 -2.589 1.00 0.00 O ATOM 0 H ALA A 103 12.009 3.512 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 103 12.060 5.317 -4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.830 6.839 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.013 5.266 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.954 5.632 -1.383 1.00 0.00 H new TER 1580 ALA A 103