USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 40 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl -116:sc= -0.866 (180deg=-1.75) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.0615 K(o=-0.12,f=-1.6) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.0587 X(o=-0.12,f=-0.46) USER MOD Set 3.1: A 68 HIS : no HE2:sc= -3.7! K(o=-3.3!,f=-2.3) USER MOD Set 3.2: A 69 THR OG1 : rot 1:sc= 0.405 USER MOD Set 4.1: A 65 ASN : amide:sc= 0.707 X(o=1.4,f=1.8) USER MOD Set 4.2: A 71 THR OG1 : rot 130:sc= 0.647 USER MOD Set 5.1: A 54 SER OG : rot -52:sc= 1.23 USER MOD Set 5.2: A 57 SER OG : rot -140:sc= 1.02 USER MOD Single : A 7 ASN : amide:sc=-0.00528 K(o=-0.0053,f=-0.87) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 29 HIS : no HD1:sc= -0.319 K(o=-0.32,f=-1.4) USER MOD Single : A 31 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.5!) USER MOD Single : A 33 THR OG1 : rot -130:sc= -0.0284 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.28! K(o=-4.3!,f=-0.46) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.245 K(o=0.25,f=-5.7!) USER MOD Single : A 45 ASN : amide:sc= -0.29 K(o=-0.29,f=-0.83) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -158:sc= 0.356 USER MOD Single : A 73 SER OG : rot -123:sc= -0.597! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.371 K(o=0.37,f=-1.3) USER MOD Single : A 84 SER OG : rot -90:sc= -2.16 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 176:sc= -3.33 (180deg=-3.39) USER MOD Single : A 90 TYR OH : rot 95:sc= 1 USER MOD Single : A 94 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.522 -4.225 -1.203 1.00 0.00 N ATOM 34 CA CYS A 3 10.563 -5.054 -0.500 1.00 0.00 C ATOM 35 C CYS A 3 9.849 -5.980 -1.477 1.00 0.00 C ATOM 36 O CYS A 3 9.987 -7.202 -1.381 1.00 0.00 O ATOM 37 CB CYS A 3 9.580 -4.174 0.263 1.00 0.00 C ATOM 38 SG CYS A 3 10.290 -3.412 1.760 1.00 0.00 S ATOM 0 HA CYS A 3 11.086 -5.680 0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.221 -3.387 -0.400 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.714 -4.772 0.546 1.00 0.00 H new ATOM 42 N ASN A 4 9.095 -5.402 -2.415 1.00 0.00 N ATOM 43 CA ASN A 4 8.396 -6.178 -3.438 1.00 0.00 C ATOM 44 C ASN A 4 7.409 -7.169 -2.821 1.00 0.00 C ATOM 45 O ASN A 4 7.606 -8.380 -2.904 1.00 0.00 O ATOM 46 CB ASN A 4 9.417 -6.925 -4.319 1.00 0.00 C ATOM 47 CG ASN A 4 10.420 -5.993 -4.977 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.106 -4.853 -5.293 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.640 -6.467 -5.172 1.00 0.00 N ATOM 0 H ASN A 4 8.954 -4.394 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 4 7.824 -5.482 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.951 -7.654 -3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.885 -7.482 -5.090 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.354 -5.877 -5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.866 -7.423 -4.896 1.00 0.00 H new ATOM 55 N PHE A 5 6.352 -6.652 -2.195 1.00 0.00 N ATOM 56 CA PHE A 5 5.335 -7.508 -1.580 1.00 0.00 C ATOM 57 C PHE A 5 4.690 -8.426 -2.628 1.00 0.00 C ATOM 58 O PHE A 5 4.506 -9.619 -2.404 1.00 0.00 O ATOM 59 CB PHE A 5 4.255 -6.662 -0.883 1.00 0.00 C ATOM 60 CG PHE A 5 3.225 -6.070 -1.805 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.527 -4.981 -2.608 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.950 -6.610 -1.865 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.576 -4.446 -3.454 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.997 -6.081 -2.709 1.00 0.00 C ATOM 65 CZ PHE A 5 1.308 -4.997 -3.505 1.00 0.00 C ATOM 0 H PHE A 5 6.177 -5.652 -2.100 1.00 0.00 H new ATOM 0 HA PHE A 5 5.828 -8.127 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.747 -7.283 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.742 -5.853 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.515 -4.547 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.700 -7.456 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.822 -3.598 -4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.008 -6.514 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.563 -4.580 -4.166 1.00 0.00 H new ATOM 74 N ALA A 6 4.398 -7.848 -3.790 1.00 0.00 N ATOM 75 CA ALA A 6 3.751 -8.552 -4.896 1.00 0.00 C ATOM 76 C ALA A 6 4.662 -9.584 -5.536 1.00 0.00 C ATOM 77 O ALA A 6 4.196 -10.510 -6.200 1.00 0.00 O ATOM 78 CB ALA A 6 3.314 -7.545 -5.937 1.00 0.00 C ATOM 0 H ALA A 6 4.605 -6.870 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 6 2.890 -9.086 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.831 -8.064 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.612 -6.841 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.184 -7.003 -6.307 1.00 0.00 H new ATOM 84 N ASN A 7 5.956 -9.412 -5.339 1.00 0.00 N ATOM 85 CA ASN A 7 6.956 -10.306 -5.908 1.00 0.00 C ATOM 86 C ASN A 7 6.768 -11.734 -5.415 1.00 0.00 C ATOM 87 O ASN A 7 7.194 -12.689 -6.063 1.00 0.00 O ATOM 88 CB ASN A 7 8.341 -9.805 -5.531 1.00 0.00 C ATOM 89 CG ASN A 7 9.453 -10.459 -6.312 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.270 -10.888 -7.452 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.623 -10.529 -5.701 1.00 0.00 N ATOM 0 H ASN A 7 6.346 -8.652 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 7 6.842 -10.312 -6.992 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.383 -8.727 -5.688 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.504 -9.979 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.421 -10.952 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.728 -10.160 -4.756 1.00 0.00 H new ATOM 97 N SER A 8 6.138 -11.872 -4.260 1.00 0.00 N ATOM 98 CA SER A 8 5.886 -13.179 -3.687 1.00 0.00 C ATOM 99 C SER A 8 4.467 -13.253 -3.131 1.00 0.00 C ATOM 100 O SER A 8 4.185 -14.033 -2.223 1.00 0.00 O ATOM 101 CB SER A 8 6.914 -13.476 -2.594 1.00 0.00 C ATOM 102 OG SER A 8 8.236 -13.394 -3.109 1.00 0.00 O ATOM 0 H SER A 8 5.792 -11.092 -3.702 1.00 0.00 H new ATOM 0 HA SER A 8 5.982 -13.933 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.794 -12.768 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.739 -14.471 -2.185 1.00 0.00 H new ATOM 0 HG SER A 8 8.878 -13.586 -2.394 1.00 0.00 H new ATOM 107 N CYS A 9 3.579 -12.431 -3.681 1.00 0.00 N ATOM 108 CA CYS A 9 2.187 -12.415 -3.239 1.00 0.00 C ATOM 109 C CYS A 9 1.242 -12.622 -4.417 1.00 0.00 C ATOM 110 O CYS A 9 1.414 -12.019 -5.476 1.00 0.00 O ATOM 111 CB CYS A 9 1.841 -11.100 -2.534 1.00 0.00 C ATOM 112 SG CYS A 9 1.089 -11.322 -0.886 1.00 0.00 S ATOM 0 H CYS A 9 3.795 -11.771 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 9 2.064 -13.234 -2.531 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.748 -10.504 -2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.155 -10.532 -3.162 1.00 0.00 H new ATOM 116 N THR A 10 0.250 -13.483 -4.226 1.00 0.00 N ATOM 117 CA THR A 10 -0.731 -13.770 -5.260 1.00 0.00 C ATOM 118 C THR A 10 -2.146 -13.689 -4.699 1.00 0.00 C ATOM 119 O THR A 10 -2.344 -13.791 -3.486 1.00 0.00 O ATOM 120 CB THR A 10 -0.512 -15.170 -5.868 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.424 -16.156 -4.826 1.00 0.00 O ATOM 122 CG2 THR A 10 0.749 -15.200 -6.714 1.00 0.00 C ATOM 0 H THR A 10 0.105 -13.997 -3.357 1.00 0.00 H new ATOM 0 HA THR A 10 -0.604 -13.020 -6.041 1.00 0.00 H new ATOM 0 HB THR A 10 -1.364 -15.400 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.287 -17.041 -5.224 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.883 -16.198 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.661 -14.476 -7.524 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.609 -14.948 -6.094 1.00 0.00 H new ATOM 130 N GLY A 11 -3.117 -13.494 -5.586 1.00 0.00 N ATOM 131 CA GLY A 11 -4.509 -13.419 -5.180 1.00 0.00 C ATOM 132 C GLY A 11 -4.770 -12.292 -4.204 1.00 0.00 C ATOM 133 O GLY A 11 -5.197 -12.524 -3.072 1.00 0.00 O ATOM 0 H GLY A 11 -2.962 -13.386 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.134 -13.283 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.802 -14.365 -4.724 1.00 0.00 H new ATOM 137 N VAL A 12 -4.519 -11.070 -4.641 1.00 0.00 N ATOM 138 CA VAL A 12 -4.715 -9.910 -3.789 1.00 0.00 C ATOM 139 C VAL A 12 -6.083 -9.272 -4.025 1.00 0.00 C ATOM 140 O VAL A 12 -6.643 -9.354 -5.120 1.00 0.00 O ATOM 141 CB VAL A 12 -3.605 -8.858 -4.001 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.249 -9.423 -3.599 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.580 -8.376 -5.444 1.00 0.00 C ATOM 0 H VAL A 12 -4.180 -10.856 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.666 -10.262 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.824 -8.001 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.479 -8.667 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.271 -9.707 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.025 -10.300 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.789 -7.636 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.392 -9.221 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.541 -7.926 -5.694 1.00 0.00 H new ATOM 153 N GLU A 13 -6.622 -8.666 -2.981 1.00 0.00 N ATOM 154 CA GLU A 13 -7.915 -8.002 -3.047 1.00 0.00 C ATOM 155 C GLU A 13 -7.865 -6.683 -2.281 1.00 0.00 C ATOM 156 O GLU A 13 -7.238 -6.603 -1.222 1.00 0.00 O ATOM 157 CB GLU A 13 -9.012 -8.914 -2.480 1.00 0.00 C ATOM 158 CG GLU A 13 -8.750 -9.374 -1.051 1.00 0.00 C ATOM 159 CD GLU A 13 -9.799 -10.342 -0.540 1.00 0.00 C ATOM 160 OE1 GLU A 13 -10.886 -9.888 -0.131 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.540 -11.566 -0.548 1.00 0.00 O ATOM 0 H GLU A 13 -6.177 -8.620 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.150 -7.790 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.964 -8.385 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.111 -9.790 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.770 -9.849 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.716 -8.504 -0.395 1.00 0.00 H new ATOM 166 N LEU A 14 -8.501 -5.649 -2.824 1.00 0.00 N ATOM 167 CA LEU A 14 -8.517 -4.342 -2.179 1.00 0.00 C ATOM 168 C LEU A 14 -9.944 -3.836 -2.006 1.00 0.00 C ATOM 169 O LEU A 14 -10.694 -3.723 -2.973 1.00 0.00 O ATOM 170 CB LEU A 14 -7.698 -3.333 -2.991 1.00 0.00 C ATOM 171 CG LEU A 14 -7.702 -1.892 -2.463 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.257 -1.837 -1.012 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.804 -1.025 -3.311 1.00 0.00 C ATOM 0 H LEU A 14 -9.010 -5.691 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.068 -4.450 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.666 -3.682 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.075 -3.326 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.723 -1.516 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.270 -0.803 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.935 -2.433 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.246 -2.235 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.815 -0.005 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.786 -1.414 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.161 -1.029 -4.341 1.00 0.00 H new ATOM 184 N TYR A 15 -10.313 -3.551 -0.765 1.00 0.00 N ATOM 185 CA TYR A 15 -11.644 -3.046 -0.455 1.00 0.00 C ATOM 186 C TYR A 15 -11.548 -1.804 0.421 1.00 0.00 C ATOM 187 O TYR A 15 -11.209 -1.896 1.602 1.00 0.00 O ATOM 188 CB TYR A 15 -12.480 -4.118 0.256 1.00 0.00 C ATOM 189 CG TYR A 15 -12.813 -5.312 -0.611 1.00 0.00 C ATOM 190 CD1 TYR A 15 -11.932 -6.380 -0.731 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.010 -5.369 -1.317 1.00 0.00 C ATOM 192 CE1 TYR A 15 -12.232 -7.467 -1.528 1.00 0.00 C ATOM 193 CE2 TYR A 15 -14.317 -6.453 -2.116 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.425 -7.500 -2.218 1.00 0.00 C ATOM 195 OH TYR A 15 -13.724 -8.583 -3.016 1.00 0.00 O ATOM 0 H TYR A 15 -9.706 -3.661 0.047 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.134 -2.785 -1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.938 -4.461 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.408 -3.667 0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.997 -6.359 -0.192 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -14.712 -4.552 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.535 -8.288 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.251 -6.481 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 15 -14.602 -8.451 -3.431 1.00 0.00 H new ATOM 204 N GLY A 16 -11.811 -0.640 -0.162 1.00 0.00 N ATOM 205 CA GLY A 16 -11.752 0.601 0.590 1.00 0.00 C ATOM 206 C GLY A 16 -10.328 1.055 0.850 1.00 0.00 C ATOM 207 O GLY A 16 -9.889 2.076 0.330 1.00 0.00 O ATOM 0 H GLY A 16 -12.065 -0.533 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.284 1.379 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.268 0.471 1.541 1.00 0.00 H new ATOM 211 N TYR A 17 -9.612 0.287 1.659 1.00 0.00 N ATOM 212 CA TYR A 17 -8.227 0.585 2.004 1.00 0.00 C ATOM 213 C TYR A 17 -7.545 -0.623 2.648 1.00 0.00 C ATOM 214 O TYR A 17 -6.551 -0.480 3.362 1.00 0.00 O ATOM 215 CB TYR A 17 -8.137 1.813 2.927 1.00 0.00 C ATOM 216 CG TYR A 17 -9.189 1.872 4.022 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.210 0.945 5.058 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.154 2.872 4.022 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.161 1.011 6.058 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.110 2.944 5.018 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.109 2.011 6.035 1.00 0.00 C ATOM 222 OH TYR A 17 -12.056 2.084 7.033 1.00 0.00 O ATOM 0 H TYR A 17 -9.974 -0.561 2.095 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.701 0.817 1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.151 1.829 3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.217 2.713 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.470 0.159 5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.157 3.606 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.161 0.282 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.854 3.727 5.000 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.648 2.847 6.867 1.00 0.00 H new ATOM 231 N ILE A 18 -8.074 -1.815 2.386 1.00 0.00 N ATOM 232 CA ILE A 18 -7.505 -3.036 2.938 1.00 0.00 C ATOM 233 C ILE A 18 -7.067 -3.968 1.816 1.00 0.00 C ATOM 234 O ILE A 18 -7.840 -4.263 0.904 1.00 0.00 O ATOM 235 CB ILE A 18 -8.487 -3.778 3.874 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.797 -4.108 3.150 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.762 -2.945 5.118 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.772 -4.906 3.989 1.00 0.00 C ATOM 0 H ILE A 18 -8.894 -1.959 1.796 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.642 -2.740 3.535 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.024 -4.717 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.274 -3.179 2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.569 -4.668 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.455 -3.479 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.828 -2.768 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.201 -1.990 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.675 -5.101 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.314 -5.852 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.030 -4.340 4.884 1.00 0.00 H new ATOM 249 N LEU A 19 -5.822 -4.405 1.882 1.00 0.00 N ATOM 250 CA LEU A 19 -5.259 -5.293 0.876 1.00 0.00 C ATOM 251 C LEU A 19 -4.978 -6.652 1.471 1.00 0.00 C ATOM 252 O LEU A 19 -4.203 -6.774 2.409 1.00 0.00 O ATOM 253 CB LEU A 19 -3.962 -4.713 0.322 1.00 0.00 C ATOM 254 CG LEU A 19 -3.986 -4.330 -1.155 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.693 -3.624 -1.522 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.189 -5.563 -2.023 1.00 0.00 C ATOM 0 H LEU A 19 -5.174 -4.157 2.630 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.985 -5.394 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.704 -3.828 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.165 -5.440 0.477 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.821 -3.652 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.714 -3.352 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.586 -2.723 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.850 -4.289 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.203 -5.270 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.373 -6.266 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.136 -6.037 -1.765 1.00 0.00 H new ATOM 267 N ARG A 20 -5.603 -7.667 0.932 1.00 0.00 N ATOM 268 CA ARG A 20 -5.394 -9.011 1.420 1.00 0.00 C ATOM 269 C ARG A 20 -4.857 -9.879 0.298 1.00 0.00 C ATOM 270 O ARG A 20 -5.314 -9.773 -0.836 1.00 0.00 O ATOM 271 CB ARG A 20 -6.698 -9.585 1.956 1.00 0.00 C ATOM 272 CG ARG A 20 -6.539 -10.938 2.618 1.00 0.00 C ATOM 273 CD ARG A 20 -7.547 -11.925 2.060 1.00 0.00 C ATOM 274 NE ARG A 20 -7.726 -13.089 2.919 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.777 -13.901 2.843 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.711 -13.697 1.916 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.894 -14.920 3.686 1.00 0.00 N ATOM 0 H ARG A 20 -6.261 -7.592 0.156 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.668 -8.989 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.124 -8.886 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.411 -9.673 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.528 -11.312 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.675 -10.841 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.506 -11.424 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.221 -12.253 1.073 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.008 -13.291 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.621 -12.918 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.517 -14.320 1.858 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.177 -15.081 4.394 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.701 -15.541 3.626 1.00 0.00 H new ATOM 288 N GLY A 21 -3.885 -10.717 0.606 1.00 0.00 N ATOM 289 CA GLY A 21 -3.315 -11.577 -0.409 1.00 0.00 C ATOM 290 C GLY A 21 -2.505 -12.707 0.179 1.00 0.00 C ATOM 291 O GLY A 21 -2.312 -12.771 1.394 1.00 0.00 O ATOM 0 H GLY A 21 -3.480 -10.819 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.116 -11.989 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.681 -10.984 -1.068 1.00 0.00 H new ATOM 295 N ASP A 22 -2.032 -13.596 -0.679 1.00 0.00 N ATOM 296 CA ASP A 22 -1.235 -14.732 -0.248 1.00 0.00 C ATOM 297 C ASP A 22 0.238 -14.470 -0.511 1.00 0.00 C ATOM 298 O ASP A 22 0.685 -14.515 -1.656 1.00 0.00 O ATOM 299 CB ASP A 22 -1.652 -16.010 -0.987 1.00 0.00 C ATOM 300 CG ASP A 22 -3.063 -16.460 -0.665 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.279 -17.043 0.418 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.961 -16.256 -1.511 1.00 0.00 O ATOM 0 H ASP A 22 -2.188 -13.551 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.403 -14.868 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.568 -15.843 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.957 -16.810 -0.733 1.00 0.00 H new ATOM 306 N CYS A 23 0.995 -14.218 0.542 1.00 0.00 N ATOM 307 CA CYS A 23 2.419 -13.960 0.403 1.00 0.00 C ATOM 308 C CYS A 23 3.201 -15.182 0.868 1.00 0.00 C ATOM 309 O CYS A 23 2.937 -15.728 1.937 1.00 0.00 O ATOM 310 CB CYS A 23 2.835 -12.736 1.227 1.00 0.00 C ATOM 311 SG CYS A 23 2.646 -11.114 0.398 1.00 0.00 S ATOM 0 H CYS A 23 0.649 -14.186 1.501 1.00 0.00 H new ATOM 0 HA CYS A 23 2.637 -13.758 -0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.248 -12.724 2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.879 -12.855 1.517 1.00 0.00 H new ATOM 315 N ILE A 24 4.171 -15.598 0.069 1.00 0.00 N ATOM 316 CA ILE A 24 4.974 -16.775 0.384 1.00 0.00 C ATOM 317 C ILE A 24 5.853 -16.541 1.608 1.00 0.00 C ATOM 318 O ILE A 24 6.494 -15.500 1.738 1.00 0.00 O ATOM 319 CB ILE A 24 5.854 -17.186 -0.816 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.971 -17.462 -2.038 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.697 -18.401 -0.476 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.730 -17.948 -3.255 1.00 0.00 C ATOM 0 H ILE A 24 4.424 -15.138 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 24 4.279 -17.584 0.606 1.00 0.00 H new ATOM 0 HB ILE A 24 6.532 -16.365 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.221 -18.207 -1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.435 -16.549 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.309 -18.672 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.344 -18.170 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.045 -19.235 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.032 -18.120 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.461 -17.196 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.244 -18.879 -3.015 1.00 0.00 H new ATOM 333 N ASN A 25 5.869 -17.517 2.505 1.00 0.00 N ATOM 334 CA ASN A 25 6.665 -17.421 3.720 1.00 0.00 C ATOM 335 C ASN A 25 7.926 -18.269 3.599 1.00 0.00 C ATOM 336 O ASN A 25 8.224 -18.785 2.524 1.00 0.00 O ATOM 337 CB ASN A 25 5.840 -17.857 4.941 1.00 0.00 C ATOM 338 CG ASN A 25 5.737 -19.361 5.103 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.512 -19.971 5.835 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.791 -19.968 4.417 1.00 0.00 N ATOM 0 H ASN A 25 5.340 -18.384 2.414 1.00 0.00 H new ATOM 0 HA ASN A 25 6.960 -16.381 3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.287 -17.434 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.836 -17.440 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.683 -20.980 4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.167 -19.426 3.820 1.00 0.00 H new ATOM 346 N GLU A 26 8.650 -18.408 4.704 1.00 0.00 N ATOM 347 CA GLU A 26 9.884 -19.189 4.748 1.00 0.00 C ATOM 348 C GLU A 26 9.690 -20.593 4.172 1.00 0.00 C ATOM 349 O GLU A 26 10.537 -21.100 3.435 1.00 0.00 O ATOM 350 CB GLU A 26 10.357 -19.289 6.200 1.00 0.00 C ATOM 351 CG GLU A 26 11.632 -20.089 6.394 1.00 0.00 C ATOM 352 CD GLU A 26 12.845 -19.410 5.799 1.00 0.00 C ATOM 353 OE1 GLU A 26 13.269 -18.367 6.342 1.00 0.00 O ATOM 354 OE2 GLU A 26 13.392 -19.925 4.801 1.00 0.00 O ATOM 0 H GLU A 26 8.399 -17.982 5.596 1.00 0.00 H new ATOM 0 HA GLU A 26 10.631 -18.683 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.512 -18.282 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.565 -19.742 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.797 -20.249 7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.512 -21.072 5.939 1.00 0.00 H new ATOM 359 N ASP A 27 8.562 -21.205 4.505 1.00 0.00 N ATOM 360 CA ASP A 27 8.237 -22.555 4.048 1.00 0.00 C ATOM 361 C ASP A 27 8.179 -22.658 2.530 1.00 0.00 C ATOM 362 O ASP A 27 8.444 -23.718 1.963 1.00 0.00 O ATOM 363 CB ASP A 27 6.897 -22.992 4.631 1.00 0.00 C ATOM 364 CG ASP A 27 6.512 -24.401 4.228 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.026 -25.364 4.838 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.689 -24.557 3.305 1.00 0.00 O ATOM 0 H ASP A 27 7.846 -20.784 5.098 1.00 0.00 H new ATOM 0 HA ASP A 27 9.036 -23.210 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.941 -22.929 5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.121 -22.300 4.303 1.00 0.00 H new ATOM 370 N GLY A 28 7.860 -21.555 1.872 1.00 0.00 N ATOM 371 CA GLY A 28 7.752 -21.575 0.428 1.00 0.00 C ATOM 372 C GLY A 28 6.307 -21.628 -0.018 1.00 0.00 C ATOM 373 O GLY A 28 6.011 -21.636 -1.211 1.00 0.00 O ATOM 0 H GLY A 28 7.675 -20.652 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.230 -20.687 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.288 -22.438 0.034 1.00 0.00 H new ATOM 377 N HIS A 29 5.408 -21.653 0.952 1.00 0.00 N ATOM 378 CA HIS A 29 3.984 -21.693 0.671 1.00 0.00 C ATOM 379 C HIS A 29 3.339 -20.342 0.938 1.00 0.00 C ATOM 380 O HIS A 29 3.665 -19.651 1.907 1.00 0.00 O ATOM 381 CB HIS A 29 3.312 -22.806 1.492 1.00 0.00 C ATOM 382 CG HIS A 29 1.846 -22.624 1.779 1.00 0.00 C ATOM 383 ND1 HIS A 29 0.854 -22.965 0.887 1.00 0.00 N ATOM 384 CD2 HIS A 29 1.208 -22.157 2.882 1.00 0.00 C ATOM 385 CE1 HIS A 29 -0.326 -22.715 1.423 1.00 0.00 C ATOM 386 NE2 HIS A 29 -0.139 -22.225 2.632 1.00 0.00 N ATOM 0 H HIS A 29 5.641 -21.646 1.945 1.00 0.00 H new ATOM 0 HA HIS A 29 3.844 -21.918 -0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.443 -23.750 0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.839 -22.897 2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.674 -21.799 3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.283 -22.883 0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.876 -21.942 3.277 1.00 0.00 H new ATOM 394 N PRO A 30 2.443 -19.955 0.036 1.00 0.00 N ATOM 395 CA PRO A 30 1.683 -18.702 0.113 1.00 0.00 C ATOM 396 C PRO A 30 0.818 -18.633 1.370 1.00 0.00 C ATOM 397 O PRO A 30 -0.043 -19.482 1.594 1.00 0.00 O ATOM 398 CB PRO A 30 0.798 -18.761 -1.141 1.00 0.00 C ATOM 399 CG PRO A 30 0.757 -20.207 -1.498 1.00 0.00 C ATOM 400 CD PRO A 30 2.111 -20.719 -1.169 1.00 0.00 C ATOM 0 HA PRO A 30 2.329 -17.826 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.201 -18.373 -0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.216 -18.163 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.012 -20.732 -0.932 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.527 -20.347 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.107 -21.793 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.822 -20.538 -1.975 1.00 0.00 H new ATOM 405 N HIS A 31 1.050 -17.619 2.183 1.00 0.00 N ATOM 406 CA HIS A 31 0.304 -17.431 3.416 1.00 0.00 C ATOM 407 C HIS A 31 -0.575 -16.195 3.307 1.00 0.00 C ATOM 408 O HIS A 31 -0.093 -15.111 2.979 1.00 0.00 O ATOM 409 CB HIS A 31 1.264 -17.293 4.601 1.00 0.00 C ATOM 410 CG HIS A 31 0.584 -17.029 5.914 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.584 -15.795 6.529 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.114 -17.852 6.729 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.085 -15.872 7.663 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.517 -17.110 7.812 1.00 0.00 N ATOM 0 H HIS A 31 1.757 -16.905 2.010 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.329 -18.303 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.853 -18.206 4.686 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.963 -16.482 4.396 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.031 -14.954 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.317 -18.899 6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.251 -15.059 8.354 1.00 0.00 H new ATOM 422 N ALA A 32 -1.857 -16.371 3.580 1.00 0.00 N ATOM 423 CA ALA A 32 -2.813 -15.276 3.517 1.00 0.00 C ATOM 424 C ALA A 32 -2.509 -14.224 4.576 1.00 0.00 C ATOM 425 O ALA A 32 -2.370 -14.536 5.760 1.00 0.00 O ATOM 426 CB ALA A 32 -4.229 -15.798 3.681 1.00 0.00 C ATOM 0 H ALA A 32 -2.263 -17.267 3.849 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.725 -14.806 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.931 -14.966 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.450 -16.507 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.324 -16.296 4.646 1.00 0.00 H new ATOM 432 N THR A 33 -2.391 -12.990 4.128 1.00 0.00 N ATOM 433 CA THR A 33 -2.103 -11.866 4.997 1.00 0.00 C ATOM 434 C THR A 33 -2.874 -10.647 4.517 1.00 0.00 C ATOM 435 O THR A 33 -3.312 -10.593 3.365 1.00 0.00 O ATOM 436 CB THR A 33 -0.591 -11.555 5.018 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.309 -10.472 5.915 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.100 -11.203 3.621 1.00 0.00 C ATOM 0 H THR A 33 -2.493 -12.737 3.145 1.00 0.00 H new ATOM 0 HA THR A 33 -2.411 -12.122 6.011 1.00 0.00 H new ATOM 0 HB THR A 33 -0.068 -12.446 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.247 -9.806 5.459 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.968 -10.987 3.654 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.279 -12.043 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.636 -10.327 3.257 1.00 0.00 H new ATOM 446 N SER A 34 -3.049 -9.680 5.391 1.00 0.00 N ATOM 447 CA SER A 34 -3.763 -8.475 5.040 1.00 0.00 C ATOM 448 C SER A 34 -3.002 -7.249 5.506 1.00 0.00 C ATOM 449 O SER A 34 -2.292 -7.293 6.509 1.00 0.00 O ATOM 450 CB SER A 34 -5.157 -8.499 5.652 1.00 0.00 C ATOM 451 OG SER A 34 -5.099 -8.574 7.071 1.00 0.00 O ATOM 0 H SER A 34 -2.706 -9.706 6.351 1.00 0.00 H new ATOM 0 HA SER A 34 -3.855 -8.427 3.955 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.702 -7.603 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.712 -9.353 5.263 1.00 0.00 H new ATOM 0 HG SER A 34 -6.009 -8.586 7.435 1.00 0.00 H new ATOM 456 N ILE A 35 -3.129 -6.169 4.762 1.00 0.00 N ATOM 457 CA ILE A 35 -2.463 -4.932 5.102 1.00 0.00 C ATOM 458 C ILE A 35 -3.441 -3.774 4.983 1.00 0.00 C ATOM 459 O ILE A 35 -4.302 -3.766 4.102 1.00 0.00 O ATOM 460 CB ILE A 35 -1.246 -4.631 4.188 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.378 -5.871 3.970 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.404 -3.508 4.773 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.760 -6.678 2.745 1.00 0.00 C ATOM 0 H ILE A 35 -3.692 -6.125 3.912 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.101 -5.045 6.124 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.638 -4.321 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.664 -5.563 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.446 -6.510 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.445 -3.311 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.011 -2.607 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.042 -3.800 5.759 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.100 -7.541 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.791 -7.018 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.664 -6.056 1.855 1.00 0.00 H new ATOM 474 N ASN A 36 -3.316 -2.803 5.866 1.00 0.00 N ATOM 475 CA ASN A 36 -4.189 -1.645 5.833 1.00 0.00 C ATOM 476 C ASN A 36 -3.437 -0.466 5.236 1.00 0.00 C ATOM 477 O ASN A 36 -2.711 0.240 5.935 1.00 0.00 O ATOM 478 CB ASN A 36 -4.701 -1.302 7.232 1.00 0.00 C ATOM 479 CG ASN A 36 -5.917 -0.402 7.194 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.134 0.412 8.073 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.725 -0.548 6.174 1.00 0.00 N ATOM 0 H ASN A 36 -2.621 -2.792 6.613 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.055 -1.874 5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.949 -2.222 7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.907 -0.813 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.563 0.029 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.516 -1.239 5.453 1.00 0.00 H new ATOM 487 N LEU A 37 -3.631 -0.255 3.937 1.00 0.00 N ATOM 488 CA LEU A 37 -2.957 0.820 3.205 1.00 0.00 C ATOM 489 C LEU A 37 -3.295 2.173 3.798 1.00 0.00 C ATOM 490 O LEU A 37 -2.559 3.140 3.626 1.00 0.00 O ATOM 491 CB LEU A 37 -3.352 0.829 1.721 1.00 0.00 C ATOM 492 CG LEU A 37 -3.079 -0.449 0.926 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.745 -1.068 1.318 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.216 -1.435 1.107 1.00 0.00 C ATOM 0 H LEU A 37 -4.256 -0.820 3.362 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.887 0.632 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.417 1.049 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.826 1.650 1.235 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.018 -0.188 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.579 -1.975 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.942 -0.358 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.757 -1.315 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.008 -2.339 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.314 -1.687 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.145 -0.988 0.753 1.00 0.00 H new ATOM 505 N ASN A 38 -4.415 2.227 4.502 1.00 0.00 N ATOM 506 CA ASN A 38 -4.883 3.457 5.122 1.00 0.00 C ATOM 507 C ASN A 38 -3.822 4.070 6.038 1.00 0.00 C ATOM 508 O ASN A 38 -3.739 5.285 6.164 1.00 0.00 O ATOM 509 CB ASN A 38 -6.166 3.185 5.917 1.00 0.00 C ATOM 510 CG ASN A 38 -6.751 4.432 6.556 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.371 4.817 7.657 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.704 5.059 5.879 1.00 0.00 N ATOM 0 H ASN A 38 -5.023 1.423 4.659 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.089 4.173 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.909 2.742 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.955 2.451 6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.146 5.890 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.995 4.710 4.966 1.00 0.00 H new ATOM 518 N TYR A 39 -2.999 3.233 6.654 1.00 0.00 N ATOM 519 CA TYR A 39 -1.964 3.731 7.555 1.00 0.00 C ATOM 520 C TYR A 39 -0.588 3.713 6.899 1.00 0.00 C ATOM 521 O TYR A 39 0.419 3.945 7.570 1.00 0.00 O ATOM 522 CB TYR A 39 -1.908 2.894 8.836 1.00 0.00 C ATOM 523 CG TYR A 39 -3.194 2.868 9.627 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.640 3.988 10.319 1.00 0.00 C ATOM 525 CD2 TYR A 39 -3.955 1.711 9.695 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.811 3.951 11.052 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.126 1.668 10.421 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.552 2.789 11.099 1.00 0.00 C ATOM 529 OH TYR A 39 -6.713 2.742 11.837 1.00 0.00 O ATOM 0 H TYR A 39 -3.025 2.219 6.550 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.227 4.761 7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.637 1.871 8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.113 3.281 9.473 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.063 4.900 10.283 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.624 0.827 9.170 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.144 4.829 11.586 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.707 0.759 10.458 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.113 1.850 11.762 1.00 0.00 H new ATOM 538 N TYR A 40 -0.533 3.442 5.599 1.00 0.00 N ATOM 539 CA TYR A 40 0.753 3.380 4.910 1.00 0.00 C ATOM 540 C TYR A 40 0.810 4.281 3.687 1.00 0.00 C ATOM 541 O TYR A 40 1.891 4.670 3.262 1.00 0.00 O ATOM 542 CB TYR A 40 1.091 1.934 4.543 1.00 0.00 C ATOM 543 CG TYR A 40 1.170 1.032 5.754 1.00 0.00 C ATOM 544 CD1 TYR A 40 2.062 1.305 6.783 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.337 -0.071 5.884 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.127 0.504 7.903 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.393 -0.877 7.006 1.00 0.00 C ATOM 548 CZ TYR A 40 1.290 -0.586 8.012 1.00 0.00 C ATOM 549 OH TYR A 40 1.346 -1.379 9.134 1.00 0.00 O ATOM 0 H TYR A 40 -1.346 3.265 5.010 1.00 0.00 H new ATOM 0 HA TYR A 40 1.506 3.755 5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.335 1.551 3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.043 1.910 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.717 2.160 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.365 -0.303 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.830 0.729 8.691 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.263 -1.731 7.094 1.00 0.00 H new ATOM 0 HH TYR A 40 0.549 -1.948 9.172 1.00 0.00 H new ATOM 558 N ILE A 41 -0.340 4.620 3.133 1.00 0.00 N ATOM 559 CA ILE A 41 -0.395 5.494 1.970 1.00 0.00 C ATOM 560 C ILE A 41 -1.069 6.807 2.340 1.00 0.00 C ATOM 561 O ILE A 41 -2.057 6.822 3.081 1.00 0.00 O ATOM 562 CB ILE A 41 -1.158 4.845 0.795 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.295 3.809 0.077 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.635 5.900 -0.192 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.155 2.513 0.831 1.00 0.00 C ATOM 0 H ILE A 41 -1.250 4.304 3.468 1.00 0.00 H new ATOM 0 HA ILE A 41 0.631 5.674 1.649 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.027 4.337 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.727 3.605 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.696 4.229 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.169 5.417 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.301 6.598 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.776 6.442 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.471 1.826 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.306 2.704 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.140 2.070 0.978 1.00 0.00 H new ATOM 576 N GLY A 42 -0.530 7.906 1.833 1.00 0.00 N ATOM 577 CA GLY A 42 -1.095 9.201 2.128 1.00 0.00 C ATOM 578 C GLY A 42 -1.718 9.854 0.919 1.00 0.00 C ATOM 579 O GLY A 42 -1.550 9.386 -0.210 1.00 0.00 O ATOM 0 H GLY A 42 0.288 7.921 1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.849 9.095 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.315 9.851 2.526 1.00 0.00 H new ATOM 583 N ASN A 43 -2.429 10.941 1.159 1.00 0.00 N ATOM 584 CA ASN A 43 -3.097 11.672 0.092 1.00 0.00 C ATOM 585 C ASN A 43 -2.504 13.064 -0.056 1.00 0.00 C ATOM 586 O ASN A 43 -2.726 13.939 0.783 1.00 0.00 O ATOM 587 CB ASN A 43 -4.602 11.775 0.368 1.00 0.00 C ATOM 588 CG ASN A 43 -5.326 12.635 -0.654 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.937 12.708 -1.817 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.378 13.309 -0.219 1.00 0.00 N ATOM 0 H ASN A 43 -2.560 11.341 2.088 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.946 11.124 -0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.037 10.775 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.757 12.191 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.895 13.914 -0.857 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.672 13.223 0.754 1.00 0.00 H new ATOM 596 N ASP A 44 -1.751 13.264 -1.124 1.00 0.00 N ATOM 597 CA ASP A 44 -1.135 14.554 -1.381 1.00 0.00 C ATOM 598 C ASP A 44 -1.847 15.253 -2.529 1.00 0.00 C ATOM 599 O ASP A 44 -1.708 14.863 -3.690 1.00 0.00 O ATOM 600 CB ASP A 44 0.350 14.386 -1.699 1.00 0.00 C ATOM 601 CG ASP A 44 1.027 15.709 -1.980 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.281 16.463 -1.020 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.305 16.003 -3.162 1.00 0.00 O ATOM 0 H ASP A 44 -1.552 12.551 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.226 15.168 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.846 13.897 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.463 13.731 -2.563 1.00 0.00 H new ATOM 607 N ASN A 45 -2.630 16.272 -2.185 1.00 0.00 N ATOM 608 CA ASN A 45 -3.393 17.053 -3.160 1.00 0.00 C ATOM 609 C ASN A 45 -4.211 16.167 -4.095 1.00 0.00 C ATOM 610 O ASN A 45 -4.265 16.403 -5.299 1.00 0.00 O ATOM 611 CB ASN A 45 -2.472 17.973 -3.969 1.00 0.00 C ATOM 612 CG ASN A 45 -2.497 19.403 -3.463 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.723 19.657 -2.279 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.259 20.349 -4.358 1.00 0.00 N ATOM 0 H ASN A 45 -2.755 16.582 -1.221 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.093 17.667 -2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.452 17.592 -3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.773 17.955 -5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.258 21.329 -4.076 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.076 20.098 -5.329 1.00 0.00 H new ATOM 620 N GLY A 46 -4.840 15.142 -3.539 1.00 0.00 N ATOM 621 CA GLY A 46 -5.666 14.260 -4.340 1.00 0.00 C ATOM 622 C GLY A 46 -4.878 13.187 -5.066 1.00 0.00 C ATOM 623 O GLY A 46 -5.394 12.553 -5.985 1.00 0.00 O ATOM 0 H GLY A 46 -4.794 14.905 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.405 13.784 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.215 14.854 -5.071 1.00 0.00 H new ATOM 627 N ARG A 47 -3.634 12.979 -4.663 1.00 0.00 N ATOM 628 CA ARG A 47 -2.789 11.972 -5.292 1.00 0.00 C ATOM 629 C ARG A 47 -2.266 10.982 -4.266 1.00 0.00 C ATOM 630 O ARG A 47 -1.992 11.336 -3.120 1.00 0.00 O ATOM 631 CB ARG A 47 -1.613 12.629 -6.014 1.00 0.00 C ATOM 632 CG ARG A 47 -1.715 12.579 -7.530 1.00 0.00 C ATOM 633 CD ARG A 47 -3.004 13.215 -8.033 1.00 0.00 C ATOM 634 NE ARG A 47 -3.121 14.609 -7.601 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.385 15.627 -8.417 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.600 15.414 -9.707 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.434 16.860 -7.935 1.00 0.00 N ATOM 0 H ARG A 47 -3.186 13.493 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.400 11.436 -6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.541 13.670 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.690 12.138 -5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.861 13.094 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.667 11.542 -7.863 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.033 13.167 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.858 12.647 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.992 14.813 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.564 14.465 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.802 16.199 -10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.270 17.026 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.636 17.643 -8.557 1.00 0.00 H new ATOM 648 N LEU A 48 -2.127 9.742 -4.698 1.00 0.00 N ATOM 649 CA LEU A 48 -1.641 8.675 -3.842 1.00 0.00 C ATOM 650 C LEU A 48 -0.139 8.802 -3.634 1.00 0.00 C ATOM 651 O LEU A 48 0.635 8.707 -4.584 1.00 0.00 O ATOM 652 CB LEU A 48 -1.966 7.319 -4.470 1.00 0.00 C ATOM 653 CG LEU A 48 -3.408 7.154 -4.937 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.659 5.735 -5.400 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.369 7.536 -3.831 1.00 0.00 C ATOM 0 H LEU A 48 -2.347 9.447 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.134 8.752 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.304 7.162 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.743 6.537 -3.744 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.576 7.821 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.693 5.637 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.991 5.499 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.474 5.045 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.394 7.413 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.201 6.895 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.205 8.576 -3.549 1.00 0.00 H new ATOM 666 N GLU A 49 0.261 9.030 -2.397 1.00 0.00 N ATOM 667 CA GLU A 49 1.667 9.163 -2.056 1.00 0.00 C ATOM 668 C GLU A 49 2.126 7.924 -1.297 1.00 0.00 C ATOM 669 O GLU A 49 1.428 7.475 -0.387 1.00 0.00 O ATOM 670 CB GLU A 49 1.877 10.420 -1.214 1.00 0.00 C ATOM 671 CG GLU A 49 3.309 10.640 -0.763 1.00 0.00 C ATOM 672 CD GLU A 49 3.432 11.797 0.206 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.437 12.960 -0.245 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.516 11.545 1.425 1.00 0.00 O ATOM 0 H GLU A 49 -0.374 9.128 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 49 2.259 9.254 -2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.553 11.287 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.236 10.364 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.683 9.732 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.937 10.829 -1.633 1.00 0.00 H new ATOM 679 N TYR A 50 3.271 7.361 -1.706 1.00 0.00 N ATOM 680 CA TYR A 50 3.827 6.159 -1.086 1.00 0.00 C ATOM 681 C TYR A 50 3.689 6.110 0.337 1.00 0.00 C ATOM 682 O TYR A 50 2.965 5.231 0.806 1.00 0.00 O ATOM 683 CB TYR A 50 5.255 5.802 -1.510 1.00 0.00 C ATOM 684 CG TYR A 50 6.130 6.931 -2.039 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.810 7.620 -3.203 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.299 7.288 -1.375 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.622 8.630 -3.683 1.00 0.00 C ATOM 688 CE2 TYR A 50 8.111 8.298 -1.845 1.00 0.00 C ATOM 689 CZ TYR A 50 7.771 8.966 -2.997 1.00 0.00 C ATOM 690 OH TYR A 50 8.583 9.974 -3.465 1.00 0.00 O ATOM 0 H TYR A 50 3.834 7.728 -2.474 1.00 0.00 H new ATOM 0 HA TYR A 50 3.187 5.380 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.760 5.357 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.196 5.032 -2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.911 7.361 -3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.576 6.763 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.359 9.153 -4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.011 8.563 -1.310 1.00 0.00 H new ATOM 0 HH TYR A 50 9.349 10.083 -2.863 1.00 0.00 H new ATOM 699 N PRO A 51 4.292 6.926 1.115 1.00 0.00 N ATOM 700 CA PRO A 51 4.062 6.694 2.420 1.00 0.00 C ATOM 701 C PRO A 51 3.271 7.777 3.085 1.00 0.00 C ATOM 702 O PRO A 51 3.683 8.934 3.185 1.00 0.00 O ATOM 703 CB PRO A 51 5.437 6.598 2.900 1.00 0.00 C ATOM 704 CG PRO A 51 6.154 7.704 2.164 1.00 0.00 C ATOM 705 CD PRO A 51 5.320 7.946 0.923 1.00 0.00 C ATOM 0 HA PRO A 51 3.446 5.819 2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.494 6.734 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.871 5.623 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.225 8.604 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.172 7.412 1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.907 8.954 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.887 7.800 0.003 1.00 0.00 H new ATOM 710 N GLY A 52 2.162 7.378 3.572 1.00 0.00 N ATOM 711 CA GLY A 52 1.279 8.312 4.186 1.00 0.00 C ATOM 712 C GLY A 52 0.360 7.697 5.204 1.00 0.00 C ATOM 713 O GLY A 52 0.579 6.572 5.654 1.00 0.00 O ATOM 0 H GLY A 52 1.835 6.412 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.868 9.093 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.680 8.794 3.413 1.00 0.00 H new ATOM 717 N GLU A 53 -0.681 8.440 5.549 1.00 0.00 N ATOM 718 CA GLU A 53 -1.665 7.996 6.527 1.00 0.00 C ATOM 719 C GLU A 53 -3.017 8.653 6.270 1.00 0.00 C ATOM 720 O GLU A 53 -3.089 9.817 5.873 1.00 0.00 O ATOM 721 CB GLU A 53 -1.202 8.333 7.951 1.00 0.00 C ATOM 722 CG GLU A 53 -0.040 7.486 8.443 1.00 0.00 C ATOM 723 CD GLU A 53 0.518 7.965 9.765 1.00 0.00 C ATOM 724 OE1 GLU A 53 0.034 7.500 10.820 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.443 8.804 9.757 1.00 0.00 O ATOM 0 H GLU A 53 -0.868 9.365 5.161 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.768 6.915 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.913 9.383 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.043 8.209 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.369 6.452 8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.753 7.495 7.695 1.00 0.00 H new ATOM 730 N SER A 54 -4.073 7.877 6.470 1.00 0.00 N ATOM 731 CA SER A 54 -5.448 8.342 6.325 1.00 0.00 C ATOM 732 C SER A 54 -5.743 8.882 4.917 1.00 0.00 C ATOM 733 O SER A 54 -6.352 9.942 4.771 1.00 0.00 O ATOM 734 CB SER A 54 -5.732 9.417 7.381 1.00 0.00 C ATOM 735 OG SER A 54 -7.076 9.367 7.829 1.00 0.00 O ATOM 0 H SER A 54 -4.000 6.896 6.740 1.00 0.00 H new ATOM 0 HA SER A 54 -6.107 7.487 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.060 9.282 8.229 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.524 10.402 6.963 1.00 0.00 H new ATOM 0 HG SER A 54 -7.679 9.378 7.057 1.00 0.00 H new ATOM 740 N PHE A 55 -5.317 8.162 3.880 1.00 0.00 N ATOM 741 CA PHE A 55 -5.574 8.599 2.509 1.00 0.00 C ATOM 742 C PHE A 55 -7.033 8.339 2.131 1.00 0.00 C ATOM 743 O PHE A 55 -7.682 9.175 1.509 1.00 0.00 O ATOM 744 CB PHE A 55 -4.635 7.896 1.511 1.00 0.00 C ATOM 745 CG PHE A 55 -5.026 6.482 1.165 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.753 5.436 2.032 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.675 6.203 -0.030 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.117 4.142 1.714 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.042 4.910 -0.349 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.764 3.879 0.524 1.00 0.00 C ATOM 0 H PHE A 55 -4.800 7.286 3.960 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.379 9.670 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.598 8.483 0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.627 7.888 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.250 5.635 2.967 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.895 7.006 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.895 3.336 2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.547 4.706 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.052 2.868 0.277 1.00 0.00 H new ATOM 759 N GLY A 56 -7.557 7.195 2.583 1.00 0.00 N ATOM 760 CA GLY A 56 -8.925 6.797 2.268 1.00 0.00 C ATOM 761 C GLY A 56 -9.948 7.802 2.738 1.00 0.00 C ATOM 762 O GLY A 56 -11.083 7.810 2.273 1.00 0.00 O ATOM 0 H GLY A 56 -7.051 6.531 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.021 6.664 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.133 5.831 2.728 1.00 0.00 H new ATOM 766 N SER A 57 -9.531 8.652 3.661 1.00 0.00 N ATOM 767 CA SER A 57 -10.378 9.689 4.213 1.00 0.00 C ATOM 768 C SER A 57 -10.875 10.649 3.127 1.00 0.00 C ATOM 769 O SER A 57 -11.852 11.372 3.321 1.00 0.00 O ATOM 770 CB SER A 57 -9.579 10.448 5.264 1.00 0.00 C ATOM 771 OG SER A 57 -9.283 9.615 6.368 1.00 0.00 O ATOM 0 H SER A 57 -8.588 8.640 4.049 1.00 0.00 H new ATOM 0 HA SER A 57 -11.259 9.230 4.662 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.653 10.820 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.145 11.317 5.600 1.00 0.00 H new ATOM 0 HG SER A 57 -9.377 10.127 7.198 1.00 0.00 H new ATOM 776 N SER A 58 -10.190 10.668 1.992 1.00 0.00 N ATOM 777 CA SER A 58 -10.570 11.529 0.883 1.00 0.00 C ATOM 778 C SER A 58 -10.300 10.839 -0.452 1.00 0.00 C ATOM 779 O SER A 58 -10.099 11.503 -1.471 1.00 0.00 O ATOM 780 CB SER A 58 -9.796 12.849 0.963 1.00 0.00 C ATOM 781 OG SER A 58 -9.987 13.475 2.222 1.00 0.00 O ATOM 0 H SER A 58 -9.365 10.094 1.816 1.00 0.00 H new ATOM 0 HA SER A 58 -11.638 11.736 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.734 12.662 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.126 13.517 0.167 1.00 0.00 H new ATOM 0 HG SER A 58 -9.482 14.315 2.250 1.00 0.00 H new ATOM 786 N CYS A 59 -10.306 9.508 -0.448 1.00 0.00 N ATOM 787 CA CYS A 59 -10.048 8.745 -1.659 1.00 0.00 C ATOM 788 C CYS A 59 -11.142 7.718 -1.919 1.00 0.00 C ATOM 789 O CYS A 59 -11.696 7.127 -0.992 1.00 0.00 O ATOM 790 CB CYS A 59 -8.705 8.024 -1.570 1.00 0.00 C ATOM 791 SG CYS A 59 -7.273 9.121 -1.343 1.00 0.00 S ATOM 0 H CYS A 59 -10.487 8.940 0.380 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.029 9.457 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.741 7.318 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.559 7.441 -2.479 1.00 0.00 H new ATOM 795 N VAL A 60 -11.434 7.516 -3.190 1.00 0.00 N ATOM 796 CA VAL A 60 -12.438 6.557 -3.627 1.00 0.00 C ATOM 797 C VAL A 60 -11.909 5.778 -4.824 1.00 0.00 C ATOM 798 O VAL A 60 -10.842 6.103 -5.347 1.00 0.00 O ATOM 799 CB VAL A 60 -13.768 7.236 -4.021 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.448 7.855 -2.808 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.534 8.287 -5.097 1.00 0.00 C ATOM 0 H VAL A 60 -10.980 8.015 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.637 5.892 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.430 6.470 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.382 8.326 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.658 7.078 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.792 8.605 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.483 8.754 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.848 9.046 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.104 7.814 -5.980 1.00 0.00 H new ATOM 811 N LYS A 61 -12.654 4.757 -5.250 1.00 0.00 N ATOM 812 CA LYS A 61 -12.264 3.930 -6.396 1.00 0.00 C ATOM 813 C LYS A 61 -10.955 3.196 -6.126 1.00 0.00 C ATOM 814 O LYS A 61 -10.129 3.040 -7.022 1.00 0.00 O ATOM 815 CB LYS A 61 -12.134 4.769 -7.678 1.00 0.00 C ATOM 816 CG LYS A 61 -13.431 4.948 -8.457 1.00 0.00 C ATOM 817 CD LYS A 61 -14.469 5.745 -7.683 1.00 0.00 C ATOM 818 CE LYS A 61 -15.733 5.944 -8.506 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.796 6.644 -7.739 1.00 0.00 N ATOM 0 H LYS A 61 -13.535 4.481 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.056 3.195 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.746 5.753 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.397 4.300 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.218 5.453 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.840 3.969 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.713 5.226 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.055 6.715 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.495 6.518 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.105 4.975 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.638 6.758 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.043 6.085 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.452 7.580 -7.444 1.00 0.00 H new ATOM 829 N THR A 62 -10.775 2.742 -4.893 1.00 0.00 N ATOM 830 CA THR A 62 -9.565 2.027 -4.514 1.00 0.00 C ATOM 831 C THR A 62 -9.496 0.658 -5.188 1.00 0.00 C ATOM 832 O THR A 62 -10.397 -0.171 -5.042 1.00 0.00 O ATOM 833 CB THR A 62 -9.469 1.861 -2.985 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.775 1.663 -2.431 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.820 3.070 -2.334 1.00 0.00 C ATOM 0 H THR A 62 -11.452 2.856 -4.139 1.00 0.00 H new ATOM 0 HA THR A 62 -8.720 2.626 -4.853 1.00 0.00 H new ATOM 0 HB THR A 62 -8.846 0.989 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.769 1.911 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.769 2.919 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.813 3.200 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.412 3.960 -2.548 1.00 0.00 H new ATOM 843 N ALA A 63 -8.428 0.434 -5.938 1.00 0.00 N ATOM 844 CA ALA A 63 -8.226 -0.823 -6.641 1.00 0.00 C ATOM 845 C ALA A 63 -6.741 -1.069 -6.842 1.00 0.00 C ATOM 846 O ALA A 63 -5.950 -0.126 -6.879 1.00 0.00 O ATOM 847 CB ALA A 63 -8.947 -0.814 -7.979 1.00 0.00 C ATOM 0 H ALA A 63 -7.681 1.114 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.642 -1.630 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.782 -1.764 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.015 -0.670 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.562 -0.001 -8.595 1.00 0.00 H new ATOM 853 N LEU A 64 -6.364 -2.327 -6.975 1.00 0.00 N ATOM 854 CA LEU A 64 -4.969 -2.696 -7.159 1.00 0.00 C ATOM 855 C LEU A 64 -4.722 -3.200 -8.575 1.00 0.00 C ATOM 856 O LEU A 64 -5.281 -4.218 -8.986 1.00 0.00 O ATOM 857 CB LEU A 64 -4.577 -3.772 -6.137 1.00 0.00 C ATOM 858 CG LEU A 64 -3.511 -3.361 -5.118 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.146 -3.288 -5.770 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.854 -2.023 -4.493 1.00 0.00 C ATOM 0 H LEU A 64 -7.008 -3.117 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.353 -1.810 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.473 -4.077 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.218 -4.648 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.487 -4.119 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.404 -2.994 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.885 -4.265 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.166 -2.553 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.083 -1.750 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.909 -1.262 -5.271 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.816 -2.094 -3.986 1.00 0.00 H new ATOM 871 N ASN A 65 -3.888 -2.486 -9.323 1.00 0.00 N ATOM 872 CA ASN A 65 -3.568 -2.880 -10.687 1.00 0.00 C ATOM 873 C ASN A 65 -2.457 -3.906 -10.685 1.00 0.00 C ATOM 874 O ASN A 65 -1.364 -3.649 -10.165 1.00 0.00 O ATOM 875 CB ASN A 65 -3.166 -1.671 -11.534 1.00 0.00 C ATOM 876 CG ASN A 65 -4.322 -1.128 -12.356 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.555 -1.568 -13.481 1.00 0.00 O ATOM 878 ND2 ASN A 65 -5.053 -0.169 -11.810 1.00 0.00 N ATOM 0 H ASN A 65 -3.423 -1.634 -9.008 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.462 -3.320 -11.129 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.787 -0.884 -10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.351 -1.953 -12.201 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.838 0.229 -12.325 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.831 0.172 -10.875 1.00 0.00 H new ATOM 884 N ASP A 66 -2.778 -5.091 -11.211 1.00 0.00 N ATOM 885 CA ASP A 66 -1.834 -6.209 -11.318 1.00 0.00 C ATOM 886 C ASP A 66 -1.415 -6.734 -9.936 1.00 0.00 C ATOM 887 O ASP A 66 -0.676 -7.713 -9.821 1.00 0.00 O ATOM 888 CB ASP A 66 -0.617 -5.776 -12.143 1.00 0.00 C ATOM 889 CG ASP A 66 0.328 -6.920 -12.459 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.048 -7.810 -13.246 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.453 -6.930 -11.917 1.00 0.00 O ATOM 0 H ASP A 66 -3.706 -5.304 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.331 -7.034 -11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.959 -5.328 -13.076 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.073 -5.004 -11.599 1.00 0.00 H new ATOM 895 N GLY A 67 -1.920 -6.094 -8.889 1.00 0.00 N ATOM 896 CA GLY A 67 -1.601 -6.502 -7.538 1.00 0.00 C ATOM 897 C GLY A 67 -0.287 -5.934 -7.042 1.00 0.00 C ATOM 898 O GLY A 67 0.374 -6.542 -6.207 1.00 0.00 O ATOM 0 H GLY A 67 -2.549 -5.294 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.402 -6.186 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.560 -7.590 -7.493 1.00 0.00 H new ATOM 902 N HIS A 68 0.093 -4.763 -7.543 1.00 0.00 N ATOM 903 CA HIS A 68 1.342 -4.133 -7.113 1.00 0.00 C ATOM 904 C HIS A 68 1.187 -2.617 -7.032 1.00 0.00 C ATOM 905 O HIS A 68 1.831 -1.965 -6.220 1.00 0.00 O ATOM 906 CB HIS A 68 2.515 -4.505 -8.043 1.00 0.00 C ATOM 907 CG HIS A 68 2.498 -3.841 -9.392 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.427 -2.902 -9.779 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.669 -3.999 -10.451 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.173 -2.514 -11.012 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.110 -3.162 -11.446 1.00 0.00 N ATOM 0 H HIS A 68 -0.435 -4.235 -8.238 1.00 0.00 H new ATOM 0 HA HIS A 68 1.572 -4.513 -6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.449 -4.251 -7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.515 -5.585 -8.188 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.194 -2.559 -9.200 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.818 -4.661 -10.503 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.741 -1.787 -11.573 1.00 0.00 H new ATOM 919 N THR A 69 0.318 -2.069 -7.865 1.00 0.00 N ATOM 920 CA THR A 69 0.085 -0.637 -7.896 1.00 0.00 C ATOM 921 C THR A 69 -1.326 -0.293 -7.425 1.00 0.00 C ATOM 922 O THR A 69 -2.299 -0.878 -7.890 1.00 0.00 O ATOM 923 CB THR A 69 0.286 -0.111 -9.325 1.00 0.00 C ATOM 924 OG1 THR A 69 1.681 -0.114 -9.665 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.299 1.283 -9.500 1.00 0.00 C ATOM 0 H THR A 69 -0.241 -2.600 -8.533 1.00 0.00 H new ATOM 0 HA THR A 69 0.798 -0.165 -7.220 1.00 0.00 H new ATOM 0 HB THR A 69 -0.247 -0.779 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.200 -0.465 -8.912 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.137 1.620 -10.524 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.369 1.257 -9.292 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.189 1.972 -8.810 1.00 0.00 H new ATOM 933 N LEU A 70 -1.428 0.650 -6.504 1.00 0.00 N ATOM 934 CA LEU A 70 -2.716 1.086 -5.992 1.00 0.00 C ATOM 935 C LEU A 70 -3.229 2.251 -6.818 1.00 0.00 C ATOM 936 O LEU A 70 -2.504 3.204 -7.080 1.00 0.00 O ATOM 937 CB LEU A 70 -2.601 1.486 -4.515 1.00 0.00 C ATOM 938 CG LEU A 70 -3.718 2.384 -3.964 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.060 1.668 -3.979 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.378 2.840 -2.553 1.00 0.00 C ATOM 0 H LEU A 70 -0.628 1.131 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.423 0.260 -6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.567 0.576 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.649 1.998 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.797 3.258 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.830 2.330 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.312 1.389 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.001 0.771 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.178 3.476 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.268 1.970 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.444 3.401 -2.567 1.00 0.00 H new ATOM 951 N THR A 71 -4.465 2.147 -7.246 1.00 0.00 N ATOM 952 CA THR A 71 -5.098 3.186 -8.029 1.00 0.00 C ATOM 953 C THR A 71 -6.341 3.682 -7.318 1.00 0.00 C ATOM 954 O THR A 71 -7.165 2.882 -6.874 1.00 0.00 O ATOM 955 CB THR A 71 -5.476 2.676 -9.431 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.535 1.240 -9.426 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.473 3.155 -10.468 1.00 0.00 C ATOM 0 H THR A 71 -5.062 1.340 -7.062 1.00 0.00 H new ATOM 0 HA THR A 71 -4.386 4.004 -8.142 1.00 0.00 H new ATOM 0 HB THR A 71 -6.455 3.076 -9.694 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.380 0.946 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.760 2.782 -11.451 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.458 4.245 -10.483 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.481 2.782 -10.214 1.00 0.00 H new ATOM 965 N ALA A 72 -6.454 4.992 -7.176 1.00 0.00 N ATOM 966 CA ALA A 72 -7.605 5.589 -6.520 1.00 0.00 C ATOM 967 C ALA A 72 -7.735 7.058 -6.886 1.00 0.00 C ATOM 968 O ALA A 72 -6.792 7.676 -7.377 1.00 0.00 O ATOM 969 CB ALA A 72 -7.502 5.429 -5.009 1.00 0.00 C ATOM 0 H ALA A 72 -5.761 5.663 -7.507 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.498 5.069 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.373 5.882 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.462 4.369 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.597 5.921 -4.652 1.00 0.00 H new ATOM 975 N SER A 73 -8.908 7.608 -6.645 1.00 0.00 N ATOM 976 CA SER A 73 -9.176 9.001 -6.936 1.00 0.00 C ATOM 977 C SER A 73 -9.335 9.741 -5.621 1.00 0.00 C ATOM 978 O SER A 73 -10.178 9.377 -4.796 1.00 0.00 O ATOM 979 CB SER A 73 -10.438 9.129 -7.790 1.00 0.00 C ATOM 980 OG SER A 73 -10.590 10.444 -8.296 1.00 0.00 O ATOM 0 H SER A 73 -9.699 7.104 -6.244 1.00 0.00 H new ATOM 0 HA SER A 73 -8.350 9.434 -7.500 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.392 8.422 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.311 8.864 -7.193 1.00 0.00 H new ATOM 0 HG SER A 73 -11.455 10.806 -8.012 1.00 0.00 H new ATOM 985 N CYS A 74 -8.526 10.760 -5.410 1.00 0.00 N ATOM 986 CA CYS A 74 -8.578 11.496 -4.163 1.00 0.00 C ATOM 987 C CYS A 74 -8.841 12.973 -4.373 1.00 0.00 C ATOM 988 O CYS A 74 -8.468 13.555 -5.392 1.00 0.00 O ATOM 989 CB CYS A 74 -7.265 11.320 -3.414 1.00 0.00 C ATOM 990 SG CYS A 74 -6.742 9.591 -3.236 1.00 0.00 S ATOM 0 H CYS A 74 -7.832 11.095 -6.078 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.408 11.094 -3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.484 11.873 -3.936 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.362 11.763 -2.423 1.00 0.00 H new ATOM 994 N LYS A 75 -9.511 13.564 -3.400 1.00 0.00 N ATOM 995 CA LYS A 75 -9.816 14.981 -3.417 1.00 0.00 C ATOM 996 C LYS A 75 -8.807 15.723 -2.544 1.00 0.00 C ATOM 997 O LYS A 75 -8.392 15.211 -1.502 1.00 0.00 O ATOM 998 CB LYS A 75 -11.259 15.221 -2.933 1.00 0.00 C ATOM 999 CG LYS A 75 -11.579 16.675 -2.607 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.317 16.979 -1.141 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.143 18.465 -0.896 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.850 18.757 0.533 1.00 0.00 N ATOM 0 H LYS A 75 -9.859 13.074 -2.576 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.742 15.362 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.950 14.873 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.437 14.614 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.974 17.332 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.623 16.883 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.145 16.606 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.422 16.450 -0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.332 18.844 -1.518 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.049 18.992 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.737 19.783 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.635 18.418 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.972 18.275 0.813 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.400 16.915 -2.971 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.450 17.684 -2.184 1.00 0.00 C ATOM 1014 C GLY A 76 -6.692 18.722 -2.989 1.00 0.00 C ATOM 1015 O GLY A 76 -6.204 19.704 -2.434 1.00 0.00 O ATOM 0 H GLY A 76 -8.706 17.359 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.982 18.183 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.736 17.001 -1.724 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.579 18.499 -4.291 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.873 19.427 -5.171 1.00 0.00 C ATOM 1021 C ALA A 77 -6.532 20.804 -5.190 1.00 0.00 C ATOM 1022 O ALA A 77 -5.852 21.829 -5.217 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.805 18.857 -6.577 1.00 0.00 C ATOM 0 H ALA A 77 -6.967 17.683 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.863 19.553 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.277 19.555 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.274 17.905 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.815 18.701 -6.956 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.859 20.815 -5.166 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.624 22.063 -5.191 1.00 0.00 C ATOM 1031 C ASP A 78 -10.102 21.757 -4.994 1.00 0.00 C ATOM 1032 O ASP A 78 -10.938 22.089 -5.828 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.409 22.798 -6.523 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.033 24.182 -6.540 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.498 25.088 -5.874 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.051 24.377 -7.241 1.00 0.00 O ATOM 0 H ASP A 78 -8.433 19.972 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.278 22.708 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.340 22.884 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.832 22.204 -7.333 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.414 21.071 -3.900 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.793 20.701 -3.612 1.00 0.00 C ATOM 1042 C GLY A 79 -12.314 19.653 -4.578 1.00 0.00 C ATOM 1043 O GLY A 79 -13.439 19.175 -4.455 1.00 0.00 O ATOM 0 H GLY A 79 -9.736 20.762 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.861 20.320 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.425 21.588 -3.664 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.467 19.277 -5.517 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.814 18.304 -6.532 1.00 0.00 C ATOM 1049 C GLN A 80 -10.988 17.042 -6.359 1.00 0.00 C ATOM 1050 O GLN A 80 -9.988 17.038 -5.633 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.569 18.887 -7.927 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.117 19.276 -8.174 1.00 0.00 C ATOM 1053 CD GLN A 80 -9.835 19.614 -9.627 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.472 19.078 -10.532 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -8.874 20.493 -9.859 1.00 0.00 N ATOM 0 H GLN A 80 -10.517 19.639 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.870 18.056 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -11.874 18.157 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.201 19.765 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.865 20.134 -7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.469 18.456 -7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.370 20.915 -9.079 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.638 20.749 -10.818 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.407 15.984 -7.036 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.717 14.710 -6.973 1.00 0.00 C ATOM 1064 C TYR A 81 -9.950 14.461 -8.267 1.00 0.00 C ATOM 1065 O TYR A 81 -10.127 15.184 -9.252 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.716 13.578 -6.709 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.796 13.447 -7.760 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -13.978 14.175 -7.674 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -12.636 12.589 -8.837 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -14.965 14.049 -8.633 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -13.615 12.456 -9.797 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.779 13.187 -9.692 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.762 13.056 -10.648 1.00 0.00 O ATOM 0 H TYR A 81 -12.229 15.986 -7.640 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.003 14.737 -6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.172 12.636 -6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.186 13.742 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.127 14.850 -6.844 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.726 12.014 -8.925 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -15.877 14.623 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.471 11.782 -10.628 1.00 0.00 H new ATOM 0 HH TYR A 81 -15.474 12.410 -11.327 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.096 13.450 -8.259 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.296 13.102 -9.421 1.00 0.00 C ATOM 1084 C HIS A 82 -7.769 11.683 -9.278 1.00 0.00 C ATOM 1085 O HIS A 82 -7.269 11.305 -8.218 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.129 14.080 -9.582 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.136 14.810 -10.892 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -8.076 15.765 -11.214 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.306 14.727 -11.960 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.824 16.239 -12.420 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -6.755 15.629 -12.894 1.00 0.00 N ATOM 0 H HIS A 82 -8.939 12.850 -7.450 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.925 13.164 -10.309 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.160 14.807 -8.770 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.191 13.533 -9.485 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -8.846 16.060 -10.614 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.451 14.074 -12.059 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.397 16.998 -12.932 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.898 10.898 -10.336 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.430 9.518 -10.321 1.00 0.00 C ATOM 1101 C ASP A 83 -5.913 9.474 -10.387 1.00 0.00 C ATOM 1102 O ASP A 83 -5.303 10.020 -11.308 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.026 8.715 -11.481 1.00 0.00 C ATOM 1104 CG ASP A 83 -9.513 8.471 -11.321 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -10.317 9.335 -11.739 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -9.891 7.412 -10.779 1.00 0.00 O ATOM 0 H ASP A 83 -8.322 11.191 -11.216 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.762 9.065 -9.387 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.848 9.248 -12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.511 7.757 -11.557 1.00 0.00 H new ATOM 1110 N SER A 84 -5.313 8.834 -9.402 1.00 0.00 N ATOM 1111 CA SER A 84 -3.870 8.716 -9.331 1.00 0.00 C ATOM 1112 C SER A 84 -3.477 7.290 -8.972 1.00 0.00 C ATOM 1113 O SER A 84 -4.341 6.457 -8.679 1.00 0.00 O ATOM 1114 CB SER A 84 -3.316 9.700 -8.304 1.00 0.00 C ATOM 1115 OG SER A 84 -3.968 9.567 -7.053 1.00 0.00 O ATOM 0 H SER A 84 -5.809 8.384 -8.633 1.00 0.00 H new ATOM 0 HA SER A 84 -3.445 8.955 -10.306 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.246 9.532 -8.178 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.437 10.719 -8.672 1.00 0.00 H new ATOM 0 HG SER A 84 -4.745 10.163 -7.024 1.00 0.00 H new ATOM 1120 N SER A 85 -2.185 7.002 -8.995 1.00 0.00 N ATOM 1121 CA SER A 85 -1.718 5.668 -8.664 1.00 0.00 C ATOM 1122 C SER A 85 -0.444 5.720 -7.838 1.00 0.00 C ATOM 1123 O SER A 85 0.322 6.685 -7.898 1.00 0.00 O ATOM 1124 CB SER A 85 -1.453 4.844 -9.917 1.00 0.00 C ATOM 1125 OG SER A 85 -2.125 5.371 -11.050 1.00 0.00 O ATOM 0 H SER A 85 -1.450 7.666 -9.237 1.00 0.00 H new ATOM 0 HA SER A 85 -2.510 5.196 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.381 4.815 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.775 3.816 -9.750 1.00 0.00 H new ATOM 0 HG SER A 85 -1.929 4.816 -11.834 1.00 0.00 H new ATOM 1130 N MET A 86 -0.226 4.667 -7.081 1.00 0.00 N ATOM 1131 CA MET A 86 0.945 4.543 -6.249 1.00 0.00 C ATOM 1132 C MET A 86 1.437 3.111 -6.280 1.00 0.00 C ATOM 1133 O MET A 86 0.729 2.196 -5.854 1.00 0.00 O ATOM 1134 CB MET A 86 0.623 4.971 -4.821 1.00 0.00 C ATOM 1135 CG MET A 86 1.759 4.732 -3.837 1.00 0.00 C ATOM 1136 SD MET A 86 3.372 5.219 -4.499 1.00 0.00 S ATOM 1137 CE MET A 86 3.049 6.901 -5.031 1.00 0.00 C ATOM 0 H MET A 86 -0.861 3.870 -7.027 1.00 0.00 H new ATOM 0 HA MET A 86 1.731 5.195 -6.630 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.369 6.031 -4.818 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.260 4.431 -4.480 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.564 5.289 -2.921 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.785 3.676 -3.568 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.973 7.351 -5.395 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.309 6.894 -5.831 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.669 7.482 -4.191 1.00 0.00 H new ATOM 1145 N ASP A 87 2.627 2.912 -6.817 1.00 0.00 N ATOM 1146 CA ASP A 87 3.202 1.584 -6.891 1.00 0.00 C ATOM 1147 C ASP A 87 3.628 1.139 -5.502 1.00 0.00 C ATOM 1148 O ASP A 87 4.604 1.632 -4.941 1.00 0.00 O ATOM 1149 CB ASP A 87 4.381 1.552 -7.862 1.00 0.00 C ATOM 1150 CG ASP A 87 4.821 0.140 -8.184 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.009 -0.795 -8.008 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.970 -0.035 -8.636 1.00 0.00 O ATOM 0 H ASP A 87 3.212 3.651 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 87 2.450 0.892 -7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.104 2.063 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.218 2.102 -7.432 1.00 0.00 H new ATOM 1156 N LEU A 88 2.880 0.200 -4.957 1.00 0.00 N ATOM 1157 CA LEU A 88 3.121 -0.315 -3.619 1.00 0.00 C ATOM 1158 C LEU A 88 4.285 -1.291 -3.614 1.00 0.00 C ATOM 1159 O LEU A 88 4.728 -1.734 -2.554 1.00 0.00 O ATOM 1160 CB LEU A 88 1.870 -1.005 -3.089 1.00 0.00 C ATOM 1161 CG LEU A 88 0.549 -0.291 -3.379 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.609 -1.080 -2.793 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.569 1.123 -2.812 1.00 0.00 C ATOM 0 H LEU A 88 2.085 -0.230 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 88 3.371 0.526 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.822 -2.007 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.970 -1.121 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 88 0.419 -0.225 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.545 -0.564 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.634 -2.074 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.480 -1.169 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.379 1.615 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.718 1.080 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.383 1.687 -3.269 1.00 0.00 H new ATOM 1174 N ASN A 89 4.752 -1.646 -4.804 1.00 0.00 N ATOM 1175 CA ASN A 89 5.873 -2.567 -4.964 1.00 0.00 C ATOM 1176 C ASN A 89 7.068 -2.133 -4.112 1.00 0.00 C ATOM 1177 O ASN A 89 7.864 -2.968 -3.674 1.00 0.00 O ATOM 1178 CB ASN A 89 6.254 -2.655 -6.447 1.00 0.00 C ATOM 1179 CG ASN A 89 7.405 -3.603 -6.726 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.559 -3.188 -6.792 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.095 -4.882 -6.912 1.00 0.00 N ATOM 0 H ASN A 89 4.366 -1.305 -5.685 1.00 0.00 H new ATOM 0 HA ASN A 89 5.572 -3.556 -4.617 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.383 -2.977 -7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.520 -1.660 -6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.829 -5.560 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.123 -5.186 -6.848 1.00 0.00 H new ATOM 1187 N TYR A 90 7.163 -0.835 -3.828 1.00 0.00 N ATOM 1188 CA TYR A 90 8.256 -0.327 -3.018 1.00 0.00 C ATOM 1189 C TYR A 90 7.742 0.279 -1.717 1.00 0.00 C ATOM 1190 O TYR A 90 8.481 0.970 -1.018 1.00 0.00 O ATOM 1191 CB TYR A 90 9.112 0.681 -3.802 1.00 0.00 C ATOM 1192 CG TYR A 90 8.377 1.909 -4.297 1.00 0.00 C ATOM 1193 CD1 TYR A 90 7.771 1.923 -5.546 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.310 3.061 -3.522 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.118 3.048 -6.008 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.656 4.188 -3.977 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.061 4.176 -5.219 1.00 0.00 C ATOM 1198 OH TYR A 90 6.412 5.299 -5.680 1.00 0.00 O ATOM 0 H TYR A 90 6.501 -0.127 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 90 8.896 -1.171 -2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.937 1.003 -3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.551 0.170 -4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.811 1.040 -6.166 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.777 3.074 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.654 3.044 -6.983 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.611 5.075 -3.362 1.00 0.00 H new ATOM 0 HH TYR A 90 5.492 5.306 -5.343 1.00 0.00 H new ATOM 1207 N VAL A 91 6.478 0.011 -1.382 1.00 0.00 N ATOM 1208 CA VAL A 91 5.904 0.533 -0.145 1.00 0.00 C ATOM 1209 C VAL A 91 5.388 -0.602 0.746 1.00 0.00 C ATOM 1210 O VAL A 91 5.016 -0.388 1.901 1.00 0.00 O ATOM 1211 CB VAL A 91 4.799 1.595 -0.393 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.164 2.481 -1.553 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.427 1.000 -0.604 1.00 0.00 C ATOM 0 H VAL A 91 5.842 -0.556 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 91 6.712 1.043 0.379 1.00 0.00 H new ATOM 0 HB VAL A 91 4.743 2.189 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.376 3.218 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.102 2.993 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.278 1.875 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.705 1.800 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.446 0.341 -1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.138 0.430 0.279 1.00 0.00 H new ATOM 1223 N VAL A 92 5.371 -1.814 0.202 1.00 0.00 N ATOM 1224 CA VAL A 92 4.945 -2.990 0.959 1.00 0.00 C ATOM 1225 C VAL A 92 5.936 -4.120 0.745 1.00 0.00 C ATOM 1226 O VAL A 92 6.400 -4.342 -0.377 1.00 0.00 O ATOM 1227 CB VAL A 92 3.554 -3.529 0.551 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.958 -4.374 1.667 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.609 -2.420 0.155 1.00 0.00 C ATOM 0 H VAL A 92 5.647 -2.010 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 92 4.895 -2.665 1.998 1.00 0.00 H new ATOM 0 HB VAL A 92 3.695 -4.159 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.980 -4.744 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.616 -5.218 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.851 -3.767 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.645 -2.846 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.476 -1.738 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.023 -1.874 -0.693 1.00 0.00 H new ATOM 1239 N GLY A 93 6.273 -4.820 1.812 1.00 0.00 N ATOM 1240 CA GLY A 93 7.183 -5.936 1.699 1.00 0.00 C ATOM 1241 C GLY A 93 6.613 -7.204 2.297 1.00 0.00 C ATOM 1242 O GLY A 93 5.660 -7.160 3.079 1.00 0.00 O ATOM 0 H GLY A 93 5.933 -4.636 2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.417 -6.106 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.120 -5.690 2.199 1.00 0.00 H new ATOM 1246 N ASN A 94 7.188 -8.334 1.915 1.00 0.00 N ATOM 1247 CA ASN A 94 6.750 -9.630 2.411 1.00 0.00 C ATOM 1248 C ASN A 94 7.842 -10.274 3.249 1.00 0.00 C ATOM 1249 O ASN A 94 9.001 -10.340 2.835 1.00 0.00 O ATOM 1250 CB ASN A 94 6.389 -10.548 1.243 1.00 0.00 C ATOM 1251 CG ASN A 94 6.178 -11.993 1.668 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.672 -12.278 2.756 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.590 -12.916 0.818 1.00 0.00 N ATOM 0 H ASN A 94 7.966 -8.379 1.257 1.00 0.00 H new ATOM 0 HA ASN A 94 5.868 -9.480 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.482 -10.179 0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.182 -10.506 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.495 -13.904 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.004 -12.641 -0.073 1.00 0.00 H new ATOM 1259 N SER A 95 7.472 -10.717 4.434 1.00 0.00 N ATOM 1260 CA SER A 95 8.395 -11.373 5.333 1.00 0.00 C ATOM 1261 C SER A 95 7.682 -12.483 6.089 1.00 0.00 C ATOM 1262 O SER A 95 6.786 -12.213 6.888 1.00 0.00 O ATOM 1263 CB SER A 95 8.966 -10.358 6.310 1.00 0.00 C ATOM 1264 OG SER A 95 9.777 -9.403 5.643 1.00 0.00 O ATOM 0 H SER A 95 6.523 -10.632 4.799 1.00 0.00 H new ATOM 0 HA SER A 95 9.210 -11.809 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.152 -9.850 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.555 -10.872 7.070 1.00 0.00 H new ATOM 0 HG SER A 95 10.130 -8.762 6.294 1.00 0.00 H new ATOM 1269 N TYR A 96 8.070 -13.729 5.815 1.00 0.00 N ATOM 1270 CA TYR A 96 7.467 -14.892 6.462 1.00 0.00 C ATOM 1271 C TYR A 96 5.953 -14.917 6.254 1.00 0.00 C ATOM 1272 O TYR A 96 5.201 -15.325 7.138 1.00 0.00 O ATOM 1273 CB TYR A 96 7.802 -14.923 7.960 1.00 0.00 C ATOM 1274 CG TYR A 96 9.230 -15.327 8.258 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.261 -14.394 8.256 1.00 0.00 C ATOM 1276 CD2 TYR A 96 9.547 -16.649 8.536 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.563 -14.770 8.524 1.00 0.00 C ATOM 1278 CE2 TYR A 96 10.845 -17.032 8.804 1.00 0.00 C ATOM 1279 CZ TYR A 96 11.849 -16.090 8.796 1.00 0.00 C ATOM 1280 OH TYR A 96 13.145 -16.473 9.062 1.00 0.00 O ATOM 0 H TYR A 96 8.804 -13.958 5.145 1.00 0.00 H new ATOM 0 HA TYR A 96 7.889 -15.783 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.617 -13.936 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.126 -15.617 8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.040 -13.359 8.041 1.00 0.00 H new ATOM 0 HD2 TYR A 96 8.763 -17.392 8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.353 -14.033 8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.072 -18.066 9.019 1.00 0.00 H new ATOM 0 HH TYR A 96 13.172 -17.437 9.234 1.00 0.00 H new ATOM 1289 N GLY A 97 5.520 -14.496 5.065 1.00 0.00 N ATOM 1290 CA GLY A 97 4.104 -14.468 4.743 1.00 0.00 C ATOM 1291 C GLY A 97 3.318 -13.526 5.633 1.00 0.00 C ATOM 1292 O GLY A 97 2.105 -13.676 5.786 1.00 0.00 O ATOM 0 H GLY A 97 6.131 -14.172 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.978 -14.167 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.695 -15.474 4.836 1.00 0.00 H new ATOM 1296 N TYR A 98 4.007 -12.563 6.227 1.00 0.00 N ATOM 1297 CA TYR A 98 3.364 -11.605 7.107 1.00 0.00 C ATOM 1298 C TYR A 98 3.524 -10.193 6.559 1.00 0.00 C ATOM 1299 O TYR A 98 4.534 -9.871 5.927 1.00 0.00 O ATOM 1300 CB TYR A 98 3.957 -11.706 8.517 1.00 0.00 C ATOM 1301 CG TYR A 98 3.224 -10.870 9.546 1.00 0.00 C ATOM 1302 CD1 TYR A 98 1.922 -11.183 9.919 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.833 -9.773 10.147 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.248 -10.428 10.860 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.164 -9.013 11.088 1.00 0.00 C ATOM 1306 CZ TYR A 98 1.872 -9.344 11.442 1.00 0.00 C ATOM 1307 OH TYR A 98 1.202 -8.594 12.382 1.00 0.00 O ATOM 0 H TYR A 98 5.011 -12.426 6.114 1.00 0.00 H new ATOM 0 HA TYR A 98 2.300 -11.834 7.160 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.944 -12.749 8.833 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.001 -11.395 8.486 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.429 -12.030 9.466 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.845 -9.511 9.874 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.237 -10.686 11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.651 -8.164 11.544 1.00 0.00 H new ATOM 0 HH TYR A 98 1.781 -7.868 12.695 1.00 0.00 H new ATOM 1316 N MET A 99 2.503 -9.372 6.785 1.00 0.00 N ATOM 1317 CA MET A 99 2.495 -7.981 6.336 1.00 0.00 C ATOM 1318 C MET A 99 3.669 -7.192 6.913 1.00 0.00 C ATOM 1319 O MET A 99 3.722 -6.928 8.112 1.00 0.00 O ATOM 1320 CB MET A 99 1.179 -7.300 6.738 1.00 0.00 C ATOM 1321 CG MET A 99 0.845 -7.430 8.221 1.00 0.00 C ATOM 1322 SD MET A 99 -0.462 -6.306 8.752 1.00 0.00 S ATOM 1323 CE MET A 99 0.341 -4.722 8.520 1.00 0.00 C ATOM 0 H MET A 99 1.658 -9.650 7.284 1.00 0.00 H new ATOM 0 HA MET A 99 2.590 -7.991 5.250 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.234 -6.243 6.479 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.365 -7.729 6.153 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.541 -8.456 8.431 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.743 -7.237 8.808 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.454 -4.227 9.484 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.323 -4.874 8.073 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.265 -4.100 7.861 1.00 0.00 H new ATOM 1331 N GLU A 100 4.609 -6.822 6.053 1.00 0.00 N ATOM 1332 CA GLU A 100 5.772 -6.046 6.466 1.00 0.00 C ATOM 1333 C GLU A 100 6.039 -4.910 5.481 1.00 0.00 C ATOM 1334 O GLU A 100 6.967 -4.973 4.677 1.00 0.00 O ATOM 1335 CB GLU A 100 7.001 -6.946 6.593 1.00 0.00 C ATOM 1336 CG GLU A 100 7.050 -7.713 7.904 1.00 0.00 C ATOM 1337 CD GLU A 100 7.392 -6.826 9.080 1.00 0.00 C ATOM 1338 OE1 GLU A 100 6.476 -6.213 9.664 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.587 -6.734 9.432 1.00 0.00 O ATOM 0 H GLU A 100 4.588 -7.048 5.059 1.00 0.00 H new ATOM 0 HA GLU A 100 5.563 -5.610 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.011 -7.654 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.900 -6.337 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.085 -8.188 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.789 -8.511 7.827 1.00 0.00 H new ATOM 1344 N PRO A 101 5.218 -3.854 5.533 1.00 0.00 N ATOM 1345 CA PRO A 101 5.355 -2.700 4.642 1.00 0.00 C ATOM 1346 C PRO A 101 6.580 -1.852 4.966 1.00 0.00 C ATOM 1347 O PRO A 101 7.018 -1.774 6.119 1.00 0.00 O ATOM 1348 CB PRO A 101 4.069 -1.909 4.884 1.00 0.00 C ATOM 1349 CG PRO A 101 3.648 -2.280 6.260 1.00 0.00 C ATOM 1350 CD PRO A 101 4.101 -3.697 6.477 1.00 0.00 C ATOM 0 HA PRO A 101 5.494 -3.003 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.243 -0.836 4.799 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.303 -2.167 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.096 -1.612 6.996 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.567 -2.197 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.420 -3.862 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.301 -4.409 6.273 1.00 0.00 H new ATOM 1355 N CYS A 102 7.122 -1.212 3.945 1.00 0.00 N ATOM 1356 CA CYS A 102 8.294 -0.374 4.100 1.00 0.00 C ATOM 1357 C CYS A 102 8.110 0.918 3.323 1.00 0.00 C ATOM 1358 O CYS A 102 7.504 0.917 2.258 1.00 0.00 O ATOM 1359 CB CYS A 102 9.535 -1.107 3.590 1.00 0.00 C ATOM 1360 SG CYS A 102 9.445 -1.572 1.828 1.00 0.00 S ATOM 0 H CYS A 102 6.763 -1.259 2.991 1.00 0.00 H new ATOM 0 HA CYS A 102 8.425 -0.144 5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.409 -0.474 3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.684 -2.007 4.186 1.00 0.00 H new