USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 477 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: C 20 THR OG1 : rot 180:sc= 0.0668 USER MOD Set 1.2: C 22 THR OG1 : rot -64:sc= -0.911 USER MOD Single : C 9 THR OG1 : rot 18:sc= 0.616 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 111:sc= 0.893 USER MOD Single : C 18 SER OG : rot -21:sc= -0.382 USER MOD Single : C 25 SER OG : rot 180:sc= 0.0726 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : C 36 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.016) USER MOD Single : C 37 ASN : amide:sc= -3.24! C(o=-3.2!,f=-3.8!) USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.732 USER MOD Single : C 46 HIS : no HD1:sc= -7.11! C(o=-7.1!,f=-4.5!) USER MOD Single : C 47 SER OG : rot 180:sc= -0.173 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= -0.264 USER MOD Single : C 52 GLN : amide:sc= -1.05 K(o=-1,f=-2.2!) USER MOD Single : C 53 THR OG1 : rot 160:sc= -0.652 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot -85:sc= 0.0203 USER MOD Single : C 59 ASN : amide:sc= -13.1! C(o=-13!,f=-16!) USER MOD Single : C 60 TYR OH : rot 180:sc= 0 USER MOD Single : C 64 SER OG : rot -74:sc= 0.525 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.719 3.339 -24.826 1.00 0.00 N ATOM 2 CA THR C 9 4.439 3.862 -24.267 1.00 0.00 C ATOM 3 C THR C 9 3.833 2.822 -23.323 1.00 0.00 C ATOM 4 O THR C 9 3.411 1.762 -23.741 1.00 0.00 O ATOM 5 CB THR C 9 3.463 4.145 -25.410 1.00 0.00 C ATOM 6 OG1 THR C 9 4.187 4.588 -26.550 1.00 0.00 O ATOM 7 CG2 THR C 9 2.472 5.227 -24.981 1.00 0.00 C ATOM 0 HA THR C 9 4.631 4.783 -23.717 1.00 0.00 H new ATOM 0 HB THR C 9 2.918 3.234 -25.657 1.00 0.00 H new ATOM 0 HG1 THR C 9 5.132 4.348 -26.451 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.777 5.428 -25.796 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.917 4.886 -24.107 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.014 6.140 -24.733 1.00 0.00 H new ATOM 14 N PHE C 10 3.784 3.116 -22.053 1.00 0.00 N ATOM 15 CA PHE C 10 3.204 2.142 -21.085 1.00 0.00 C ATOM 16 C PHE C 10 1.863 2.671 -20.570 1.00 0.00 C ATOM 17 O PHE C 10 1.360 3.672 -21.040 1.00 0.00 O ATOM 18 CB PHE C 10 4.164 1.953 -19.908 1.00 0.00 C ATOM 19 CG PHE C 10 5.333 1.063 -20.338 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.044 1.342 -21.492 1.00 0.00 C ATOM 21 CD2 PHE C 10 5.691 -0.036 -19.578 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.095 0.537 -21.877 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.743 -0.840 -19.964 1.00 0.00 C ATOM 24 CZ PHE C 10 7.445 -0.555 -21.113 1.00 0.00 C ATOM 0 H PHE C 10 4.120 3.988 -21.644 1.00 0.00 H new ATOM 0 HA PHE C 10 3.051 1.185 -21.584 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.535 2.920 -19.569 1.00 0.00 H new ATOM 0 HB3 PHE C 10 3.639 1.501 -19.066 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.774 2.196 -22.095 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.143 -0.266 -18.676 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.645 0.763 -22.779 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.016 -1.695 -19.363 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.268 -1.186 -21.415 1.00 0.00 H new ATOM 34 N VAL C 11 1.285 2.010 -19.602 1.00 0.00 N ATOM 35 CA VAL C 11 -0.023 2.475 -19.059 1.00 0.00 C ATOM 36 C VAL C 11 -0.031 2.313 -17.538 1.00 0.00 C ATOM 37 O VAL C 11 0.235 1.248 -17.016 1.00 0.00 O ATOM 38 CB VAL C 11 -1.153 1.642 -19.667 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.488 2.359 -19.456 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.904 1.460 -21.165 1.00 0.00 C ATOM 0 H VAL C 11 1.662 1.169 -19.165 1.00 0.00 H new ATOM 0 HA VAL C 11 -0.169 3.525 -19.313 1.00 0.00 H new ATOM 0 HB VAL C 11 -1.185 0.666 -19.182 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.293 1.765 -19.889 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.667 2.488 -18.389 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.457 3.335 -19.939 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.709 0.866 -21.598 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.871 2.436 -21.650 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.046 0.948 -21.316 1.00 0.00 H new ATOM 50 N ALA C 12 -0.340 3.359 -16.824 1.00 0.00 N ATOM 51 CA ALA C 12 -0.365 3.267 -15.338 1.00 0.00 C ATOM 52 C ALA C 12 -1.474 2.310 -14.891 1.00 0.00 C ATOM 53 O ALA C 12 -2.618 2.695 -14.747 1.00 0.00 O ATOM 54 CB ALA C 12 -0.622 4.654 -14.747 1.00 0.00 C ATOM 0 H ALA C 12 -0.577 4.275 -17.206 1.00 0.00 H new ATOM 0 HA ALA C 12 0.596 2.890 -14.987 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.641 4.588 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.172 5.334 -15.056 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.581 5.030 -15.104 1.00 0.00 H new ATOM 60 N LEU C 13 -1.145 1.065 -14.672 1.00 0.00 N ATOM 61 CA LEU C 13 -2.178 0.084 -14.235 1.00 0.00 C ATOM 62 C LEU C 13 -2.919 0.633 -13.013 1.00 0.00 C ATOM 63 O LEU C 13 -4.008 0.202 -12.691 1.00 0.00 O ATOM 64 CB LEU C 13 -1.503 -1.238 -13.867 1.00 0.00 C ATOM 65 CG LEU C 13 -1.013 -1.931 -15.140 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.347 -3.259 -14.773 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.201 -2.196 -16.066 1.00 0.00 C ATOM 0 H LEU C 13 -0.204 0.685 -14.777 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.886 -0.082 -15.047 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -0.665 -1.056 -13.194 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.205 -1.882 -13.336 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.292 -1.290 -15.648 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.002 -3.754 -15.679 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.500 -3.071 -14.113 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -1.068 -3.900 -14.265 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.852 -2.690 -16.973 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.922 -2.837 -15.558 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.677 -1.251 -16.327 1.00 0.00 H new ATOM 79 N TYR C 14 -2.336 1.582 -12.330 1.00 0.00 N ATOM 80 CA TYR C 14 -3.013 2.153 -11.131 1.00 0.00 C ATOM 81 C TYR C 14 -2.702 3.647 -11.021 1.00 0.00 C ATOM 82 O TYR C 14 -1.740 4.133 -11.582 1.00 0.00 O ATOM 83 CB TYR C 14 -2.509 1.426 -9.889 1.00 0.00 C ATOM 84 CG TYR C 14 -2.574 -0.076 -10.153 1.00 0.00 C ATOM 85 CD1 TYR C 14 -1.560 -0.709 -10.839 1.00 0.00 C ATOM 86 CD2 TYR C 14 -3.663 -0.811 -9.742 1.00 0.00 C ATOM 87 CE1 TYR C 14 -1.634 -2.059 -11.110 1.00 0.00 C ATOM 88 CE2 TYR C 14 -3.740 -2.162 -10.010 1.00 0.00 C ATOM 89 CZ TYR C 14 -2.724 -2.797 -10.697 1.00 0.00 C ATOM 90 OH TYR C 14 -2.799 -4.149 -10.966 1.00 0.00 O ATOM 0 H TYR C 14 -1.425 1.984 -12.550 1.00 0.00 H new ATOM 0 HA TYR C 14 -4.092 2.026 -11.221 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.487 1.728 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -3.118 1.686 -9.023 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -0.701 -0.143 -11.167 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -4.464 -0.326 -9.205 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -0.833 -2.542 -11.650 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -4.600 -2.726 -9.681 1.00 0.00 H new ATOM 0 HH TYR C 14 -3.634 -4.509 -10.601 1.00 0.00 H new ATOM 100 N ASP C 15 -3.510 4.377 -10.301 1.00 0.00 N ATOM 101 CA ASP C 15 -3.263 5.840 -10.155 1.00 0.00 C ATOM 102 C ASP C 15 -2.127 6.076 -9.159 1.00 0.00 C ATOM 103 O ASP C 15 -2.217 5.717 -8.001 1.00 0.00 O ATOM 104 CB ASP C 15 -4.534 6.521 -9.643 1.00 0.00 C ATOM 105 CG ASP C 15 -5.725 6.096 -10.505 1.00 0.00 C ATOM 106 OD1 ASP C 15 -6.040 4.918 -10.507 1.00 0.00 O ATOM 107 OD2 ASP C 15 -6.303 6.958 -11.147 1.00 0.00 O ATOM 0 H ASP C 15 -4.330 4.024 -9.808 1.00 0.00 H new ATOM 0 HA ASP C 15 -2.987 6.257 -11.124 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.710 6.250 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.417 7.604 -9.675 1.00 0.00 H new ATOM 112 N TYR C 16 -1.059 6.680 -9.599 1.00 0.00 N ATOM 113 CA TYR C 16 0.081 6.941 -8.678 1.00 0.00 C ATOM 114 C TYR C 16 0.026 8.396 -8.213 1.00 0.00 C ATOM 115 O TYR C 16 0.061 9.313 -9.010 1.00 0.00 O ATOM 116 CB TYR C 16 1.400 6.686 -9.407 1.00 0.00 C ATOM 117 CG TYR C 16 2.565 6.882 -8.435 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.624 6.161 -7.260 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.573 7.780 -8.721 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.675 6.334 -6.383 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.625 7.956 -7.845 1.00 0.00 C ATOM 122 CZ TYR C 16 4.684 7.234 -6.668 1.00 0.00 C ATOM 123 OH TYR C 16 5.732 7.413 -5.787 1.00 0.00 O ATOM 0 H TYR C 16 -0.926 7.004 -10.557 1.00 0.00 H new ATOM 0 HA TYR C 16 0.014 6.277 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.415 5.674 -9.810 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.499 7.367 -10.252 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.841 5.455 -7.025 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.538 8.350 -9.638 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.709 5.762 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.407 8.662 -8.081 1.00 0.00 H new ATOM 0 HH TYR C 16 6.554 7.052 -6.179 1.00 0.00 H new ATOM 133 N GLU C 17 -0.063 8.616 -6.931 1.00 0.00 N ATOM 134 CA GLU C 17 -0.121 10.012 -6.417 1.00 0.00 C ATOM 135 C GLU C 17 1.260 10.442 -5.920 1.00 0.00 C ATOM 136 O GLU C 17 1.474 10.622 -4.738 1.00 0.00 O ATOM 137 CB GLU C 17 -1.123 10.084 -5.263 1.00 0.00 C ATOM 138 CG GLU C 17 -2.134 11.199 -5.533 1.00 0.00 C ATOM 139 CD GLU C 17 -3.544 10.694 -5.221 1.00 0.00 C ATOM 140 OE1 GLU C 17 -4.132 10.067 -6.086 1.00 0.00 O ATOM 141 OE2 GLU C 17 -4.011 10.945 -4.122 1.00 0.00 O ATOM 0 H GLU C 17 -0.098 7.889 -6.217 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.435 10.679 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.639 9.130 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -0.600 10.272 -4.325 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -1.904 12.070 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -2.072 11.517 -6.574 1.00 0.00 H new ATOM 148 N SER C 18 2.200 10.608 -6.811 1.00 0.00 N ATOM 149 CA SER C 18 3.560 11.026 -6.384 1.00 0.00 C ATOM 150 C SER C 18 3.439 12.242 -5.461 1.00 0.00 C ATOM 151 O SER C 18 2.357 12.739 -5.216 1.00 0.00 O ATOM 152 CB SER C 18 4.380 11.398 -7.618 1.00 0.00 C ATOM 153 OG SER C 18 4.179 10.422 -8.630 1.00 0.00 O ATOM 0 H SER C 18 2.082 10.472 -7.815 1.00 0.00 H new ATOM 0 HA SER C 18 4.053 10.211 -5.853 1.00 0.00 H new ATOM 0 HB2 SER C 18 4.084 12.382 -7.982 1.00 0.00 H new ATOM 0 HB3 SER C 18 5.437 11.459 -7.361 1.00 0.00 H new ATOM 0 HG SER C 18 3.860 9.590 -8.223 1.00 0.00 H new ATOM 159 N ARG C 19 4.535 12.727 -4.942 1.00 0.00 N ATOM 160 CA ARG C 19 4.467 13.911 -4.038 1.00 0.00 C ATOM 161 C ARG C 19 5.531 14.929 -4.445 1.00 0.00 C ATOM 162 O ARG C 19 5.293 16.122 -4.458 1.00 0.00 O ATOM 163 CB ARG C 19 4.707 13.471 -2.593 1.00 0.00 C ATOM 164 CG ARG C 19 3.489 13.831 -1.738 1.00 0.00 C ATOM 165 CD ARG C 19 3.718 15.191 -1.073 1.00 0.00 C ATOM 166 NE ARG C 19 2.665 15.425 -0.044 1.00 0.00 N ATOM 167 CZ ARG C 19 1.471 15.815 -0.402 1.00 0.00 C ATOM 168 NH1 ARG C 19 1.190 15.999 -1.664 1.00 0.00 N ATOM 169 NH2 ARG C 19 0.555 16.022 0.506 1.00 0.00 N ATOM 0 H ARG C 19 5.471 12.356 -5.104 1.00 0.00 H new ATOM 0 HA ARG C 19 3.480 14.367 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.886 12.397 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG C 19 5.599 13.958 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG C 19 2.593 13.863 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG C 19 3.325 13.066 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG C 19 4.705 15.221 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.692 15.983 -1.822 1.00 0.00 H new ATOM 0 HE ARG C 19 2.878 15.280 0.943 1.00 0.00 H new ATOM 0 HH11 ARG C 19 1.904 15.838 -2.374 1.00 0.00 H new ATOM 0 HH12 ARG C 19 0.256 16.304 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG C 19 0.773 15.879 1.492 1.00 0.00 H new ATOM 0 HH22 ARG C 19 -0.378 16.327 0.229 1.00 0.00 H new ATOM 183 N THR C 20 6.703 14.470 -4.776 1.00 0.00 N ATOM 184 CA THR C 20 7.783 15.411 -5.182 1.00 0.00 C ATOM 185 C THR C 20 7.858 15.469 -6.709 1.00 0.00 C ATOM 186 O THR C 20 7.657 14.481 -7.387 1.00 0.00 O ATOM 187 CB THR C 20 9.122 14.924 -4.623 1.00 0.00 C ATOM 188 OG1 THR C 20 9.037 13.534 -4.338 1.00 0.00 O ATOM 189 CG2 THR C 20 9.449 15.691 -3.341 1.00 0.00 C ATOM 0 H THR C 20 6.961 13.483 -4.783 1.00 0.00 H new ATOM 0 HA THR C 20 7.567 16.405 -4.790 1.00 0.00 H new ATOM 0 HB THR C 20 9.908 15.097 -5.358 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.894 13.220 -3.982 1.00 0.00 H new ATOM 0 HG21 THR C 20 10.403 15.344 -2.943 1.00 0.00 H new ATOM 0 HG22 THR C 20 9.514 16.757 -3.561 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.664 15.520 -2.604 1.00 0.00 H new ATOM 197 N GLU C 21 8.145 16.619 -7.256 1.00 0.00 N ATOM 198 CA GLU C 21 8.232 16.737 -8.733 1.00 0.00 C ATOM 199 C GLU C 21 9.130 15.626 -9.280 1.00 0.00 C ATOM 200 O GLU C 21 9.022 15.232 -10.424 1.00 0.00 O ATOM 201 CB GLU C 21 8.824 18.099 -9.091 1.00 0.00 C ATOM 202 CG GLU C 21 10.069 18.358 -8.239 1.00 0.00 C ATOM 203 CD GLU C 21 10.107 19.829 -7.826 1.00 0.00 C ATOM 204 OE1 GLU C 21 10.309 20.662 -8.693 1.00 0.00 O ATOM 205 OE2 GLU C 21 9.934 20.099 -6.648 1.00 0.00 O ATOM 0 H GLU C 21 8.323 17.481 -6.740 1.00 0.00 H new ATOM 0 HA GLU C 21 7.238 16.644 -9.171 1.00 0.00 H new ATOM 0 HB2 GLU C 21 9.083 18.127 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU C 21 8.086 18.883 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU C 21 10.056 17.721 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU C 21 10.967 18.104 -8.802 1.00 0.00 H new ATOM 212 N THR C 22 10.014 15.115 -8.468 1.00 0.00 N ATOM 213 CA THR C 22 10.918 14.027 -8.943 1.00 0.00 C ATOM 214 C THR C 22 10.078 12.909 -9.563 1.00 0.00 C ATOM 215 O THR C 22 10.349 12.448 -10.655 1.00 0.00 O ATOM 216 CB THR C 22 11.721 13.467 -7.764 1.00 0.00 C ATOM 217 OG1 THR C 22 11.547 14.301 -6.627 1.00 0.00 O ATOM 218 CG2 THR C 22 13.202 13.413 -8.135 1.00 0.00 C ATOM 0 H THR C 22 10.150 15.402 -7.499 1.00 0.00 H new ATOM 0 HA THR C 22 11.606 14.427 -9.687 1.00 0.00 H new ATOM 0 HB THR C 22 11.367 12.462 -7.532 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.922 15.188 -6.811 1.00 0.00 H new ATOM 0 HG21 THR C 22 13.773 13.015 -7.296 1.00 0.00 H new ATOM 0 HG22 THR C 22 13.336 12.769 -9.004 1.00 0.00 H new ATOM 0 HG23 THR C 22 13.555 14.417 -8.370 1.00 0.00 H new ATOM 226 N ASP C 23 9.062 12.469 -8.874 1.00 0.00 N ATOM 227 CA ASP C 23 8.204 11.380 -9.421 1.00 0.00 C ATOM 228 C ASP C 23 6.958 11.991 -10.065 1.00 0.00 C ATOM 229 O ASP C 23 6.338 12.883 -9.520 1.00 0.00 O ATOM 230 CB ASP C 23 7.785 10.442 -8.287 1.00 0.00 C ATOM 231 CG ASP C 23 9.033 9.834 -7.643 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.768 10.573 -7.008 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.232 8.641 -7.796 1.00 0.00 O ATOM 0 H ASP C 23 8.788 12.817 -7.955 1.00 0.00 H new ATOM 0 HA ASP C 23 8.762 10.817 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.208 10.990 -7.542 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.140 9.653 -8.673 1.00 0.00 H new ATOM 238 N LEU C 24 6.587 11.518 -11.222 1.00 0.00 N ATOM 239 CA LEU C 24 5.384 12.071 -11.902 1.00 0.00 C ATOM 240 C LEU C 24 4.145 11.279 -11.478 1.00 0.00 C ATOM 241 O LEU C 24 4.163 10.067 -11.411 1.00 0.00 O ATOM 242 CB LEU C 24 5.562 11.967 -13.417 1.00 0.00 C ATOM 243 CG LEU C 24 6.143 13.276 -13.953 1.00 0.00 C ATOM 244 CD1 LEU C 24 6.464 13.120 -15.441 1.00 0.00 C ATOM 245 CD2 LEU C 24 5.123 14.401 -13.765 1.00 0.00 C ATOM 0 H LEU C 24 7.066 10.772 -11.726 1.00 0.00 H new ATOM 0 HA LEU C 24 5.258 13.117 -11.621 1.00 0.00 H new ATOM 0 HB2 LEU C 24 6.225 11.136 -13.660 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.604 11.760 -13.893 1.00 0.00 H new ATOM 0 HG LEU C 24 7.056 13.519 -13.409 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.878 14.053 -15.824 1.00 0.00 H new ATOM 0 HD12 LEU C 24 7.191 12.319 -15.574 1.00 0.00 H new ATOM 0 HD13 LEU C 24 5.552 12.877 -15.986 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.536 15.334 -14.147 1.00 0.00 H new ATOM 0 HD22 LEU C 24 4.210 14.159 -14.309 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.895 14.512 -12.705 1.00 0.00 H new ATOM 257 N SER C 25 3.068 11.958 -11.192 1.00 0.00 N ATOM 258 CA SER C 25 1.829 11.246 -10.774 1.00 0.00 C ATOM 259 C SER C 25 0.951 10.997 -12.002 1.00 0.00 C ATOM 260 O SER C 25 0.890 11.806 -12.906 1.00 0.00 O ATOM 261 CB SER C 25 1.064 12.103 -9.764 1.00 0.00 C ATOM 262 OG SER C 25 1.785 13.301 -9.520 1.00 0.00 O ATOM 0 H SER C 25 2.993 12.975 -11.230 1.00 0.00 H new ATOM 0 HA SER C 25 2.092 10.294 -10.314 1.00 0.00 H new ATOM 0 HB2 SER C 25 0.070 12.335 -10.147 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.927 11.552 -8.833 1.00 0.00 H new ATOM 0 HG SER C 25 1.295 13.852 -8.874 1.00 0.00 H new ATOM 268 N PHE C 26 0.272 9.884 -12.043 1.00 0.00 N ATOM 269 CA PHE C 26 -0.599 9.589 -13.215 1.00 0.00 C ATOM 270 C PHE C 26 -1.901 8.944 -12.734 1.00 0.00 C ATOM 271 O PHE C 26 -2.049 8.613 -11.575 1.00 0.00 O ATOM 272 CB PHE C 26 0.127 8.632 -14.162 1.00 0.00 C ATOM 273 CG PHE C 26 0.948 7.632 -13.347 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.357 6.486 -12.855 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.290 7.859 -13.096 1.00 0.00 C ATOM 276 CE1 PHE C 26 1.093 5.579 -12.121 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.026 6.952 -12.362 1.00 0.00 C ATOM 278 CZ PHE C 26 2.428 5.812 -11.875 1.00 0.00 C ATOM 0 H PHE C 26 0.283 9.167 -11.317 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.827 10.516 -13.741 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.594 8.104 -14.785 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.778 9.192 -14.833 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.689 6.298 -13.046 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.764 8.752 -13.477 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.622 4.685 -11.739 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.073 7.137 -12.169 1.00 0.00 H new ATOM 0 HZ PHE C 26 3.004 5.102 -11.301 1.00 0.00 H new ATOM 288 N LYS C 27 -2.847 8.763 -13.616 1.00 0.00 N ATOM 289 CA LYS C 27 -4.136 8.139 -13.207 1.00 0.00 C ATOM 290 C LYS C 27 -4.219 6.719 -13.767 1.00 0.00 C ATOM 291 O LYS C 27 -3.265 6.198 -14.311 1.00 0.00 O ATOM 292 CB LYS C 27 -5.300 8.969 -13.752 1.00 0.00 C ATOM 293 CG LYS C 27 -6.116 9.532 -12.587 1.00 0.00 C ATOM 294 CD LYS C 27 -6.753 10.859 -13.003 1.00 0.00 C ATOM 295 CE LYS C 27 -8.264 10.674 -13.158 1.00 0.00 C ATOM 296 NZ LYS C 27 -8.933 12.005 -13.140 1.00 0.00 N ATOM 0 H LYS C 27 -2.782 9.020 -14.601 1.00 0.00 H new ATOM 0 HA LYS C 27 -4.191 8.103 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.922 9.782 -14.371 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.934 8.352 -14.389 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -6.889 8.822 -12.294 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.474 9.681 -11.719 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.545 11.625 -12.256 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -6.320 11.204 -13.942 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -8.484 10.158 -14.092 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -8.649 10.051 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -9.960 11.879 -13.245 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -8.734 12.482 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -8.573 12.585 -13.925 1.00 0.00 H new ATOM 310 N LYS C 28 -5.353 6.086 -13.639 1.00 0.00 N ATOM 311 CA LYS C 28 -5.497 4.700 -14.165 1.00 0.00 C ATOM 312 C LYS C 28 -5.841 4.751 -15.656 1.00 0.00 C ATOM 313 O LYS C 28 -6.918 5.159 -16.040 1.00 0.00 O ATOM 314 CB LYS C 28 -6.619 3.983 -13.409 1.00 0.00 C ATOM 315 CG LYS C 28 -6.738 2.545 -13.916 1.00 0.00 C ATOM 316 CD LYS C 28 -7.930 1.862 -13.240 1.00 0.00 C ATOM 317 CE LYS C 28 -7.551 0.428 -12.863 1.00 0.00 C ATOM 318 NZ LYS C 28 -7.928 -0.493 -13.971 1.00 0.00 N ATOM 0 H LYS C 28 -6.186 6.469 -13.193 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.560 4.161 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -6.411 3.987 -12.339 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.563 4.510 -13.552 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -6.868 2.539 -14.998 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.821 1.996 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -8.224 2.418 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -8.789 1.858 -13.911 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.480 0.362 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.059 0.136 -11.944 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.671 -1.468 -13.715 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -8.954 -0.437 -14.135 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -7.424 -0.218 -14.838 1.00 0.00 H new ATOM 332 N GLY C 29 -4.932 4.341 -16.497 1.00 0.00 N ATOM 333 CA GLY C 29 -5.208 4.368 -17.961 1.00 0.00 C ATOM 334 C GLY C 29 -4.460 5.538 -18.601 1.00 0.00 C ATOM 335 O GLY C 29 -4.721 5.913 -19.727 1.00 0.00 O ATOM 0 H GLY C 29 -4.011 3.989 -16.234 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -4.895 3.429 -18.418 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.279 4.467 -18.138 1.00 0.00 H new ATOM 339 N GLU C 30 -3.532 6.122 -17.892 1.00 0.00 N ATOM 340 CA GLU C 30 -2.770 7.268 -18.462 1.00 0.00 C ATOM 341 C GLU C 30 -1.535 6.742 -19.198 1.00 0.00 C ATOM 342 O GLU C 30 -0.701 6.068 -18.626 1.00 0.00 O ATOM 343 CB GLU C 30 -2.333 8.203 -17.333 1.00 0.00 C ATOM 344 CG GLU C 30 -1.309 9.207 -17.867 1.00 0.00 C ATOM 345 CD GLU C 30 -1.571 10.583 -17.251 1.00 0.00 C ATOM 346 OE1 GLU C 30 -1.529 10.683 -16.035 1.00 0.00 O ATOM 347 OE2 GLU C 30 -1.809 11.512 -18.004 1.00 0.00 O ATOM 0 H GLU C 30 -3.269 5.855 -16.943 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.404 7.815 -19.160 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.197 8.730 -16.928 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.900 7.626 -16.516 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.299 8.875 -17.625 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.374 9.265 -18.954 1.00 0.00 H new ATOM 354 N ARG C 31 -1.413 7.044 -20.462 1.00 0.00 N ATOM 355 CA ARG C 31 -0.233 6.562 -21.233 1.00 0.00 C ATOM 356 C ARG C 31 0.984 7.425 -20.893 1.00 0.00 C ATOM 357 O ARG C 31 0.906 8.637 -20.860 1.00 0.00 O ATOM 358 CB ARG C 31 -0.528 6.666 -22.732 1.00 0.00 C ATOM 359 CG ARG C 31 -1.770 5.836 -23.067 1.00 0.00 C ATOM 360 CD ARG C 31 -2.541 6.511 -24.204 1.00 0.00 C ATOM 361 NE ARG C 31 -1.794 6.341 -25.482 1.00 0.00 N ATOM 362 CZ ARG C 31 -1.786 5.183 -26.087 1.00 0.00 C ATOM 363 NH1 ARG C 31 -2.433 4.169 -25.576 1.00 0.00 N ATOM 364 NH2 ARG C 31 -1.130 5.040 -27.206 1.00 0.00 N ATOM 0 H ARG C 31 -2.080 7.604 -20.994 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.027 5.524 -20.973 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.688 7.708 -23.011 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.327 6.310 -23.307 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -1.479 4.827 -23.359 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.406 5.742 -22.187 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -3.536 6.075 -24.292 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.675 7.571 -23.987 1.00 0.00 H new ATOM 0 HE ARG C 31 -1.288 7.130 -25.885 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -2.947 4.280 -24.702 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.424 3.267 -26.051 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -0.625 5.831 -27.606 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -1.122 4.137 -27.681 1.00 0.00 H new ATOM 378 N LEU C 32 2.108 6.812 -20.638 1.00 0.00 N ATOM 379 CA LEU C 32 3.326 7.605 -20.301 1.00 0.00 C ATOM 380 C LEU C 32 4.482 7.175 -21.207 1.00 0.00 C ATOM 381 O LEU C 32 4.581 6.030 -21.600 1.00 0.00 O ATOM 382 CB LEU C 32 3.706 7.362 -18.838 1.00 0.00 C ATOM 383 CG LEU C 32 2.540 7.768 -17.934 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.052 6.546 -17.152 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.004 8.847 -16.955 1.00 0.00 C ATOM 0 H LEU C 32 2.236 5.800 -20.648 1.00 0.00 H new ATOM 0 HA LEU C 32 3.122 8.665 -20.451 1.00 0.00 H new ATOM 0 HB2 LEU C 32 3.950 6.311 -18.684 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.596 7.937 -18.582 1.00 0.00 H new ATOM 0 HG LEU C 32 1.726 8.158 -18.545 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.221 6.834 -16.508 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.720 5.777 -17.849 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.866 6.156 -16.541 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.173 9.136 -16.311 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.818 8.458 -16.344 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.352 9.718 -17.511 1.00 0.00 H new ATOM 397 N GLN C 33 5.355 8.086 -21.542 1.00 0.00 N ATOM 398 CA GLN C 33 6.503 7.725 -22.422 1.00 0.00 C ATOM 399 C GLN C 33 7.612 7.094 -21.579 1.00 0.00 C ATOM 400 O GLN C 33 8.580 7.737 -21.227 1.00 0.00 O ATOM 401 CB GLN C 33 7.038 8.984 -23.108 1.00 0.00 C ATOM 402 CG GLN C 33 7.803 8.589 -24.373 1.00 0.00 C ATOM 403 CD GLN C 33 8.209 9.849 -25.140 1.00 0.00 C ATOM 404 OE1 GLN C 33 8.399 10.896 -24.554 1.00 0.00 O ATOM 405 NE2 GLN C 33 8.349 9.791 -26.436 1.00 0.00 N ATOM 0 H GLN C 33 5.323 9.061 -21.246 1.00 0.00 H new ATOM 0 HA GLN C 33 6.171 7.014 -23.178 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.214 9.651 -23.362 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.693 9.530 -22.430 1.00 0.00 H new ATOM 0 HG2 GLN C 33 8.688 8.010 -24.109 1.00 0.00 H new ATOM 0 HG3 GLN C 33 7.181 7.952 -25.002 1.00 0.00 H new ATOM 0 HE21 GLN C 33 8.189 8.912 -26.927 1.00 0.00 H new ATOM 0 HE22 GLN C 33 8.618 10.625 -26.958 1.00 0.00 H new ATOM 414 N ILE C 34 7.478 5.838 -21.253 1.00 0.00 N ATOM 415 CA ILE C 34 8.523 5.165 -20.433 1.00 0.00 C ATOM 416 C ILE C 34 9.887 5.361 -21.096 1.00 0.00 C ATOM 417 O ILE C 34 9.992 5.491 -22.299 1.00 0.00 O ATOM 418 CB ILE C 34 8.208 3.671 -20.332 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.034 3.460 -19.375 1.00 0.00 C ATOM 420 CG2 ILE C 34 9.434 2.922 -19.802 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.333 4.146 -18.041 1.00 0.00 C ATOM 0 H ILE C 34 6.689 5.249 -21.519 1.00 0.00 H new ATOM 0 HA ILE C 34 8.540 5.597 -19.432 1.00 0.00 H new ATOM 0 HB ILE C 34 7.948 3.290 -21.320 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.120 3.867 -19.808 1.00 0.00 H new ATOM 0 HG13 ILE C 34 6.866 2.395 -19.218 1.00 0.00 H new ATOM 0 HG21 ILE C 34 9.208 1.858 -19.731 1.00 0.00 H new ATOM 0 HG22 ILE C 34 10.273 3.070 -20.482 1.00 0.00 H new ATOM 0 HG23 ILE C 34 9.695 3.304 -18.815 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.496 3.996 -17.359 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.237 3.719 -17.607 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.480 5.213 -18.206 1.00 0.00 H new ATOM 433 N VAL C 35 10.933 5.380 -20.319 1.00 0.00 N ATOM 434 CA VAL C 35 12.290 5.565 -20.902 1.00 0.00 C ATOM 435 C VAL C 35 13.020 4.224 -20.928 1.00 0.00 C ATOM 436 O VAL C 35 13.243 3.646 -21.973 1.00 0.00 O ATOM 437 CB VAL C 35 13.073 6.569 -20.053 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.552 6.526 -20.440 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.520 7.974 -20.303 1.00 0.00 C ATOM 0 H VAL C 35 10.907 5.275 -19.305 1.00 0.00 H new ATOM 0 HA VAL C 35 12.205 5.944 -21.920 1.00 0.00 H new ATOM 0 HB VAL C 35 12.971 6.315 -18.998 1.00 0.00 H new ATOM 0 HG11 VAL C 35 15.108 7.242 -19.834 1.00 0.00 H new ATOM 0 HG12 VAL C 35 14.944 5.524 -20.268 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.660 6.782 -21.494 1.00 0.00 H new ATOM 0 HG21 VAL C 35 13.073 8.695 -19.701 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.627 8.224 -21.358 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.466 8.004 -20.028 1.00 0.00 H new ATOM 449 N ASN C 36 13.392 3.724 -19.785 1.00 0.00 N ATOM 450 CA ASN C 36 14.108 2.418 -19.742 1.00 0.00 C ATOM 451 C ASN C 36 14.454 2.066 -18.294 1.00 0.00 C ATOM 452 O ASN C 36 14.928 2.893 -17.541 1.00 0.00 O ATOM 453 CB ASN C 36 15.395 2.514 -20.564 1.00 0.00 C ATOM 454 CG ASN C 36 15.941 1.109 -20.823 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.107 0.848 -20.606 1.00 0.00 O ATOM 456 ND2 ASN C 36 15.141 0.186 -21.282 1.00 0.00 N ATOM 0 H ASN C 36 13.232 4.162 -18.878 1.00 0.00 H new ATOM 0 HA ASN C 36 13.466 1.642 -20.158 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.198 3.019 -21.510 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.135 3.111 -20.032 1.00 0.00 H new ATOM 0 HD21 ASN C 36 15.495 -0.754 -21.458 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.162 0.405 -21.464 1.00 0.00 H new ATOM 463 N ASN C 37 14.219 0.844 -17.899 1.00 0.00 N ATOM 464 CA ASN C 37 14.532 0.434 -16.500 1.00 0.00 C ATOM 465 C ASN C 37 13.848 -0.897 -16.189 1.00 0.00 C ATOM 466 O ASN C 37 13.069 -1.000 -15.266 1.00 0.00 O ATOM 467 CB ASN C 37 14.038 1.505 -15.528 1.00 0.00 C ATOM 468 CG ASN C 37 15.225 2.344 -15.051 1.00 0.00 C ATOM 469 OD1 ASN C 37 15.278 3.535 -15.291 1.00 0.00 O ATOM 470 ND2 ASN C 37 16.185 1.770 -14.381 1.00 0.00 N ATOM 0 H ASN C 37 13.823 0.110 -18.486 1.00 0.00 H new ATOM 0 HA ASN C 37 15.610 0.319 -16.391 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.301 2.142 -16.016 1.00 0.00 H new ATOM 0 HB3 ASN C 37 13.543 1.038 -14.677 1.00 0.00 H new ATOM 0 HD21 ASN C 37 16.981 2.320 -14.058 1.00 0.00 H new ATOM 0 HD22 ASN C 37 16.140 0.771 -14.180 1.00 0.00 H new ATOM 477 N THR C 38 14.133 -1.919 -16.951 1.00 0.00 N ATOM 478 CA THR C 38 13.496 -3.244 -16.693 1.00 0.00 C ATOM 479 C THR C 38 13.489 -3.517 -15.190 1.00 0.00 C ATOM 480 O THR C 38 12.456 -3.506 -14.551 1.00 0.00 O ATOM 481 CB THR C 38 14.284 -4.345 -17.409 1.00 0.00 C ATOM 482 OG1 THR C 38 14.162 -5.559 -16.681 1.00 0.00 O ATOM 483 CG2 THR C 38 15.761 -3.952 -17.504 1.00 0.00 C ATOM 0 H THR C 38 14.779 -1.894 -17.740 1.00 0.00 H new ATOM 0 HA THR C 38 12.473 -3.233 -17.068 1.00 0.00 H new ATOM 0 HB THR C 38 13.885 -4.478 -18.415 1.00 0.00 H new ATOM 0 HG1 THR C 38 14.664 -6.266 -17.138 1.00 0.00 H new ATOM 0 HG21 THR C 38 16.315 -4.740 -18.014 1.00 0.00 H new ATOM 0 HG22 THR C 38 15.855 -3.021 -18.064 1.00 0.00 H new ATOM 0 HG23 THR C 38 16.166 -3.815 -16.501 1.00 0.00 H new ATOM 491 N GLU C 39 14.633 -3.764 -14.623 1.00 0.00 N ATOM 492 CA GLU C 39 14.701 -4.038 -13.159 1.00 0.00 C ATOM 493 C GLU C 39 15.141 -2.763 -12.435 1.00 0.00 C ATOM 494 O GLU C 39 16.061 -2.088 -12.853 1.00 0.00 O ATOM 495 CB GLU C 39 15.707 -5.164 -12.868 1.00 0.00 C ATOM 496 CG GLU C 39 16.347 -5.671 -14.167 1.00 0.00 C ATOM 497 CD GLU C 39 17.188 -6.914 -13.869 1.00 0.00 C ATOM 498 OE1 GLU C 39 18.111 -6.805 -13.078 1.00 0.00 O ATOM 499 OE2 GLU C 39 16.895 -7.953 -14.437 1.00 0.00 O ATOM 0 H GLU C 39 15.529 -3.789 -15.110 1.00 0.00 H new ATOM 0 HA GLU C 39 13.717 -4.350 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU C 39 16.482 -4.800 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU C 39 15.203 -5.986 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU C 39 15.574 -5.908 -14.898 1.00 0.00 H new ATOM 0 HG3 GLU C 39 16.972 -4.893 -14.605 1.00 0.00 H new ATOM 506 N GLY C 40 14.495 -2.426 -11.351 1.00 0.00 N ATOM 507 CA GLY C 40 14.885 -1.191 -10.610 1.00 0.00 C ATOM 508 C GLY C 40 13.748 -0.758 -9.679 1.00 0.00 C ATOM 509 O GLY C 40 13.960 -0.021 -8.737 1.00 0.00 O ATOM 0 H GLY C 40 13.718 -2.949 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.790 -1.375 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.114 -0.391 -11.314 1.00 0.00 H new ATOM 513 N ASP C 41 12.544 -1.202 -9.945 1.00 0.00 N ATOM 514 CA ASP C 41 11.382 -0.824 -9.083 1.00 0.00 C ATOM 515 C ASP C 41 10.831 0.536 -9.518 1.00 0.00 C ATOM 516 O ASP C 41 9.636 0.722 -9.631 1.00 0.00 O ATOM 517 CB ASP C 41 11.817 -0.752 -7.616 1.00 0.00 C ATOM 518 CG ASP C 41 12.762 -1.915 -7.306 1.00 0.00 C ATOM 519 OD1 ASP C 41 12.643 -2.938 -7.959 1.00 0.00 O ATOM 520 OD2 ASP C 41 13.588 -1.762 -6.421 1.00 0.00 O ATOM 0 H ASP C 41 12.315 -1.814 -10.728 1.00 0.00 H new ATOM 0 HA ASP C 41 10.605 -1.581 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP C 41 12.315 0.197 -7.420 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.944 -0.795 -6.964 1.00 0.00 H new ATOM 525 N TRP C 42 11.686 1.489 -9.764 1.00 0.00 N ATOM 526 CA TRP C 42 11.198 2.829 -10.190 1.00 0.00 C ATOM 527 C TRP C 42 11.784 3.183 -11.557 1.00 0.00 C ATOM 528 O TRP C 42 12.985 3.224 -11.739 1.00 0.00 O ATOM 529 CB TRP C 42 11.617 3.874 -9.155 1.00 0.00 C ATOM 530 CG TRP C 42 10.810 3.650 -7.874 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.166 2.828 -6.872 1.00 0.00 C ATOM 532 CD2 TRP C 42 9.630 4.203 -7.611 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.147 2.920 -6.015 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.146 3.753 -6.398 1.00 0.00 C ATOM 535 CE3 TRP C 42 8.896 5.102 -8.356 1.00 0.00 C ATOM 536 CZ2 TRP C 42 7.927 4.201 -5.934 1.00 0.00 C ATOM 537 CZ3 TRP C 42 7.678 5.550 -7.890 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.193 5.099 -6.680 1.00 0.00 C ATOM 0 H TRP C 42 12.699 1.398 -9.689 1.00 0.00 H new ATOM 0 HA TRP C 42 10.111 2.813 -10.266 1.00 0.00 H new ATOM 0 HB2 TRP C 42 12.684 3.793 -8.948 1.00 0.00 H new ATOM 0 HB3 TRP C 42 11.442 4.878 -9.541 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.064 2.234 -6.782 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.122 2.402 -5.137 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.275 5.455 -9.304 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.547 3.849 -4.986 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.103 6.255 -8.473 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.238 5.449 -6.317 1.00 0.00 H new ATOM 549 N TRP C 43 10.942 3.436 -12.520 1.00 0.00 N ATOM 550 CA TRP C 43 11.439 3.786 -13.880 1.00 0.00 C ATOM 551 C TRP C 43 11.316 5.293 -14.103 1.00 0.00 C ATOM 552 O TRP C 43 10.626 5.988 -13.381 1.00 0.00 O ATOM 553 CB TRP C 43 10.600 3.062 -14.931 1.00 0.00 C ATOM 554 CG TRP C 43 10.649 1.558 -14.672 1.00 0.00 C ATOM 555 CD1 TRP C 43 11.457 0.958 -13.784 1.00 0.00 C ATOM 556 CD2 TRP C 43 9.927 0.646 -15.318 1.00 0.00 C ATOM 557 NE1 TRP C 43 11.188 -0.337 -13.937 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.244 -0.623 -14.872 1.00 0.00 C ATOM 559 CE3 TRP C 43 8.976 0.813 -16.304 1.00 0.00 C ATOM 560 CZ2 TRP C 43 9.608 -1.722 -15.412 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.341 -0.287 -16.843 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.658 -1.554 -16.398 1.00 0.00 C ATOM 0 H TRP C 43 9.927 3.415 -12.423 1.00 0.00 H new ATOM 0 HA TRP C 43 12.483 3.486 -13.966 1.00 0.00 H new ATOM 0 HB2 TRP C 43 9.569 3.415 -14.895 1.00 0.00 H new ATOM 0 HB3 TRP C 43 10.978 3.283 -15.929 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.160 1.418 -13.105 1.00 0.00 H new ATOM 0 HE1 TRP C 43 11.656 -1.061 -13.392 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.729 1.804 -16.654 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 9.854 -2.714 -15.063 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.596 -0.156 -17.613 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.162 -2.415 -16.822 1.00 0.00 H new ATOM 573 N LEU C 44 11.974 5.799 -15.108 1.00 0.00 N ATOM 574 CA LEU C 44 11.904 7.257 -15.391 1.00 0.00 C ATOM 575 C LEU C 44 11.122 7.463 -16.686 1.00 0.00 C ATOM 576 O LEU C 44 11.585 7.141 -17.755 1.00 0.00 O ATOM 577 CB LEU C 44 13.321 7.813 -15.554 1.00 0.00 C ATOM 578 CG LEU C 44 13.251 9.287 -15.959 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.575 9.971 -15.616 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.000 9.395 -17.464 1.00 0.00 C ATOM 0 H LEU C 44 12.560 5.262 -15.748 1.00 0.00 H new ATOM 0 HA LEU C 44 11.409 7.775 -14.570 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.873 7.708 -14.620 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.861 7.243 -16.310 1.00 0.00 H new ATOM 0 HG LEU C 44 12.437 9.772 -15.420 1.00 0.00 H new ATOM 0 HD11 LEU C 44 14.527 11.021 -15.904 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.756 9.896 -14.544 1.00 0.00 H new ATOM 0 HD13 LEU C 44 15.387 9.484 -16.156 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.950 10.446 -17.750 1.00 0.00 H new ATOM 0 HD22 LEU C 44 13.813 8.910 -18.004 1.00 0.00 H new ATOM 0 HD23 LEU C 44 12.057 8.907 -17.712 1.00 0.00 H new ATOM 592 N ALA C 45 9.938 7.993 -16.603 1.00 0.00 N ATOM 593 CA ALA C 45 9.141 8.209 -17.840 1.00 0.00 C ATOM 594 C ALA C 45 8.920 9.705 -18.063 1.00 0.00 C ATOM 595 O ALA C 45 9.286 10.528 -17.247 1.00 0.00 O ATOM 596 CB ALA C 45 7.788 7.507 -17.704 1.00 0.00 C ATOM 0 H ALA C 45 9.487 8.286 -15.736 1.00 0.00 H new ATOM 0 HA ALA C 45 9.683 7.797 -18.691 1.00 0.00 H new ATOM 0 HB1 ALA C 45 7.203 7.665 -18.610 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.946 6.439 -17.555 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.250 7.917 -16.849 1.00 0.00 H new ATOM 602 N HIS C 46 8.322 10.060 -19.168 1.00 0.00 N ATOM 603 CA HIS C 46 8.072 11.500 -19.456 1.00 0.00 C ATOM 604 C HIS C 46 6.607 11.682 -19.868 1.00 0.00 C ATOM 605 O HIS C 46 6.145 11.096 -20.827 1.00 0.00 O ATOM 606 CB HIS C 46 8.994 11.955 -20.594 1.00 0.00 C ATOM 607 CG HIS C 46 8.468 13.258 -21.204 1.00 0.00 C ATOM 608 ND1 HIS C 46 8.695 14.421 -20.752 1.00 0.00 N ATOM 609 CD2 HIS C 46 7.670 13.459 -22.316 1.00 0.00 C ATOM 610 CE1 HIS C 46 8.120 15.307 -21.475 1.00 0.00 C ATOM 611 NE2 HIS C 46 7.452 14.772 -22.484 1.00 0.00 N ATOM 0 H HIS C 46 7.995 9.412 -19.885 1.00 0.00 H new ATOM 0 HA HIS C 46 8.275 12.099 -18.568 1.00 0.00 H new ATOM 0 HB2 HIS C 46 10.006 12.103 -20.217 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.049 11.181 -21.360 1.00 0.00 H new ATOM 0 HD2 HIS C 46 7.282 12.678 -22.952 1.00 0.00 H new ATOM 0 HE1 HIS C 46 8.174 16.369 -21.284 1.00 0.00 H new ATOM 0 HE2 HIS C 46 6.908 15.241 -23.208 1.00 0.00 H new ATOM 619 N SER C 47 5.876 12.489 -19.151 1.00 0.00 N ATOM 620 CA SER C 47 4.445 12.707 -19.503 1.00 0.00 C ATOM 621 C SER C 47 4.356 13.382 -20.872 1.00 0.00 C ATOM 622 O SER C 47 5.287 14.020 -21.322 1.00 0.00 O ATOM 623 CB SER C 47 3.790 13.602 -18.449 1.00 0.00 C ATOM 624 OG SER C 47 3.500 12.834 -17.290 1.00 0.00 O ATOM 0 H SER C 47 6.207 13.007 -18.337 1.00 0.00 H new ATOM 0 HA SER C 47 3.928 11.748 -19.535 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.454 14.428 -18.194 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.874 14.040 -18.847 1.00 0.00 H new ATOM 0 HG SER C 47 3.082 13.407 -16.614 1.00 0.00 H new ATOM 630 N LEU C 48 3.243 13.248 -21.540 1.00 0.00 N ATOM 631 CA LEU C 48 3.097 13.884 -22.879 1.00 0.00 C ATOM 632 C LEU C 48 2.074 15.018 -22.797 1.00 0.00 C ATOM 633 O LEU C 48 1.462 15.387 -23.780 1.00 0.00 O ATOM 634 CB LEU C 48 2.625 12.838 -23.891 1.00 0.00 C ATOM 635 CG LEU C 48 3.641 11.695 -23.953 1.00 0.00 C ATOM 636 CD1 LEU C 48 3.337 10.807 -25.161 1.00 0.00 C ATOM 637 CD2 LEU C 48 5.052 12.272 -24.086 1.00 0.00 C ATOM 0 H LEU C 48 2.429 12.726 -21.216 1.00 0.00 H new ATOM 0 HA LEU C 48 4.058 14.288 -23.197 1.00 0.00 H new ATOM 0 HB2 LEU C 48 1.646 12.454 -23.604 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.513 13.293 -24.875 1.00 0.00 H new ATOM 0 HG LEU C 48 3.576 11.102 -23.041 1.00 0.00 H new ATOM 0 HD11 LEU C 48 4.060 9.993 -25.205 1.00 0.00 H new ATOM 0 HD12 LEU C 48 2.332 10.395 -25.066 1.00 0.00 H new ATOM 0 HD13 LEU C 48 3.401 11.400 -26.074 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.775 11.458 -24.130 1.00 0.00 H new ATOM 0 HD22 LEU C 48 5.118 12.866 -24.998 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.269 12.904 -23.225 1.00 0.00 H new ATOM 649 N THR C 49 1.882 15.573 -21.631 1.00 0.00 N ATOM 650 CA THR C 49 0.899 16.683 -21.487 1.00 0.00 C ATOM 651 C THR C 49 1.636 17.966 -21.097 1.00 0.00 C ATOM 652 O THR C 49 1.650 18.934 -21.831 1.00 0.00 O ATOM 653 CB THR C 49 -0.118 16.328 -20.398 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.090 14.926 -20.167 1.00 0.00 O ATOM 655 CG2 THR C 49 -1.518 16.745 -20.850 1.00 0.00 C ATOM 0 H THR C 49 2.364 15.305 -20.773 1.00 0.00 H new ATOM 0 HA THR C 49 0.379 16.834 -22.433 1.00 0.00 H new ATOM 0 HB THR C 49 0.135 16.854 -19.477 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.739 14.696 -19.469 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.241 16.492 -20.075 1.00 0.00 H new ATOM 0 HG22 THR C 49 -1.538 17.820 -21.028 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.775 16.220 -21.770 1.00 0.00 H new ATOM 663 N THR C 50 2.253 17.981 -19.947 1.00 0.00 N ATOM 664 CA THR C 50 2.989 19.200 -19.511 1.00 0.00 C ATOM 665 C THR C 50 4.394 19.189 -20.116 1.00 0.00 C ATOM 666 O THR C 50 4.941 20.220 -20.457 1.00 0.00 O ATOM 667 CB THR C 50 3.093 19.216 -17.984 1.00 0.00 C ATOM 668 OG1 THR C 50 3.622 17.977 -17.534 1.00 0.00 O ATOM 669 CG2 THR C 50 1.705 19.430 -17.378 1.00 0.00 C ATOM 0 H THR C 50 2.279 17.201 -19.291 1.00 0.00 H new ATOM 0 HA THR C 50 2.453 20.087 -19.848 1.00 0.00 H new ATOM 0 HB THR C 50 3.751 20.027 -17.673 1.00 0.00 H new ATOM 0 HG1 THR C 50 3.691 17.986 -16.556 1.00 0.00 H new ATOM 0 HG21 THR C 50 1.780 19.441 -16.291 1.00 0.00 H new ATOM 0 HG22 THR C 50 1.300 20.381 -17.723 1.00 0.00 H new ATOM 0 HG23 THR C 50 1.044 18.620 -17.687 1.00 0.00 H new ATOM 677 N GLY C 51 4.982 18.032 -20.254 1.00 0.00 N ATOM 678 CA GLY C 51 6.351 17.957 -20.838 1.00 0.00 C ATOM 679 C GLY C 51 7.387 17.920 -19.711 1.00 0.00 C ATOM 680 O GLY C 51 8.232 18.786 -19.605 1.00 0.00 O ATOM 0 H GLY C 51 4.574 17.136 -19.988 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.444 17.067 -21.461 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.530 18.817 -21.483 1.00 0.00 H new ATOM 684 N GLN C 52 7.330 16.923 -18.871 1.00 0.00 N ATOM 685 CA GLN C 52 8.311 16.833 -17.753 1.00 0.00 C ATOM 686 C GLN C 52 8.586 15.362 -17.431 1.00 0.00 C ATOM 687 O GLN C 52 7.763 14.501 -17.666 1.00 0.00 O ATOM 688 CB GLN C 52 7.738 17.526 -16.514 1.00 0.00 C ATOM 689 CG GLN C 52 6.930 18.752 -16.942 1.00 0.00 C ATOM 690 CD GLN C 52 6.714 19.668 -15.736 1.00 0.00 C ATOM 691 OE1 GLN C 52 7.465 19.623 -14.782 1.00 0.00 O ATOM 692 NE2 GLN C 52 5.713 20.504 -15.739 1.00 0.00 N ATOM 0 H GLN C 52 6.646 16.167 -18.911 1.00 0.00 H new ATOM 0 HA GLN C 52 9.240 17.321 -18.047 1.00 0.00 H new ATOM 0 HB2 GLN C 52 7.104 16.835 -15.959 1.00 0.00 H new ATOM 0 HB3 GLN C 52 8.545 17.825 -15.845 1.00 0.00 H new ATOM 0 HG2 GLN C 52 7.456 19.290 -17.731 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.969 18.442 -17.353 1.00 0.00 H new ATOM 0 HE21 GLN C 52 5.083 20.542 -16.540 1.00 0.00 H new ATOM 0 HE22 GLN C 52 5.561 21.120 -14.940 1.00 0.00 H new ATOM 701 N THR C 53 9.740 15.070 -16.896 1.00 0.00 N ATOM 702 CA THR C 53 10.070 13.656 -16.558 1.00 0.00 C ATOM 703 C THR C 53 9.499 13.327 -15.175 1.00 0.00 C ATOM 704 O THR C 53 8.925 14.169 -14.512 1.00 0.00 O ATOM 705 CB THR C 53 11.605 13.474 -16.592 1.00 0.00 C ATOM 706 OG1 THR C 53 11.936 12.501 -17.571 1.00 0.00 O ATOM 707 CG2 THR C 53 12.149 13.019 -15.228 1.00 0.00 C ATOM 0 H THR C 53 10.469 15.750 -16.678 1.00 0.00 H new ATOM 0 HA THR C 53 9.628 12.973 -17.283 1.00 0.00 H new ATOM 0 HB THR C 53 12.057 14.435 -16.836 1.00 0.00 H new ATOM 0 HG1 THR C 53 12.876 12.603 -17.829 1.00 0.00 H new ATOM 0 HG21 THR C 53 13.231 12.901 -15.289 1.00 0.00 H new ATOM 0 HG22 THR C 53 11.907 13.766 -14.472 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.695 12.066 -14.955 1.00 0.00 H new ATOM 715 N GLY C 54 9.654 12.110 -14.733 1.00 0.00 N ATOM 716 CA GLY C 54 9.121 11.735 -13.395 1.00 0.00 C ATOM 717 C GLY C 54 9.333 10.240 -13.154 1.00 0.00 C ATOM 718 O GLY C 54 8.804 9.405 -13.863 1.00 0.00 O ATOM 0 H GLY C 54 10.126 11.361 -15.240 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.623 12.313 -12.619 1.00 0.00 H new ATOM 0 HA3 GLY C 54 8.060 11.975 -13.336 1.00 0.00 H new ATOM 722 N TYR C 55 10.110 9.894 -12.165 1.00 0.00 N ATOM 723 CA TYR C 55 10.352 8.457 -11.883 1.00 0.00 C ATOM 724 C TYR C 55 9.021 7.794 -11.529 1.00 0.00 C ATOM 725 O TYR C 55 8.619 7.762 -10.383 1.00 0.00 O ATOM 726 CB TYR C 55 11.318 8.331 -10.706 1.00 0.00 C ATOM 727 CG TYR C 55 12.517 9.255 -10.928 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.910 9.598 -12.206 1.00 0.00 C ATOM 729 CD2 TYR C 55 13.225 9.754 -9.854 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.994 10.429 -12.406 1.00 0.00 C ATOM 731 CE2 TYR C 55 14.308 10.585 -10.054 1.00 0.00 C ATOM 732 CZ TYR C 55 14.701 10.928 -11.331 1.00 0.00 C ATOM 733 OH TYR C 55 15.785 11.759 -11.531 1.00 0.00 O ATOM 0 H TYR C 55 10.586 10.546 -11.542 1.00 0.00 H new ATOM 0 HA TYR C 55 10.784 7.970 -12.757 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.812 8.592 -9.777 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.654 7.299 -10.607 1.00 0.00 H new ATOM 0 HD1 TYR C 55 12.365 9.213 -13.056 1.00 0.00 H new ATOM 0 HD2 TYR C 55 12.929 9.492 -8.849 1.00 0.00 H new ATOM 0 HE1 TYR C 55 14.291 10.690 -13.411 1.00 0.00 H new ATOM 0 HE2 TYR C 55 14.852 10.970 -9.204 1.00 0.00 H new ATOM 0 HH TYR C 55 16.163 12.017 -10.665 1.00 0.00 H new ATOM 743 N ILE C 56 8.333 7.266 -12.502 1.00 0.00 N ATOM 744 CA ILE C 56 7.029 6.608 -12.216 1.00 0.00 C ATOM 745 C ILE C 56 7.281 5.197 -11.675 1.00 0.00 C ATOM 746 O ILE C 56 8.166 4.509 -12.145 1.00 0.00 O ATOM 747 CB ILE C 56 6.206 6.523 -13.503 1.00 0.00 C ATOM 748 CG1 ILE C 56 7.032 5.838 -14.593 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.831 7.934 -13.958 1.00 0.00 C ATOM 750 CD1 ILE C 56 6.378 4.507 -14.968 1.00 0.00 C ATOM 0 H ILE C 56 8.617 7.262 -13.482 1.00 0.00 H new ATOM 0 HA ILE C 56 6.481 7.190 -11.475 1.00 0.00 H new ATOM 0 HB ILE C 56 5.300 5.946 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.101 6.481 -15.470 1.00 0.00 H new ATOM 0 HG13 ILE C 56 8.050 5.669 -14.241 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.244 7.877 -14.875 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.243 8.423 -13.181 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.738 8.510 -14.143 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.966 4.019 -15.745 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.332 3.864 -14.089 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.369 4.689 -15.338 1.00 0.00 H new ATOM 762 N PRO C 57 6.496 4.804 -10.704 1.00 0.00 N ATOM 763 CA PRO C 57 6.627 3.472 -10.092 1.00 0.00 C ATOM 764 C PRO C 57 6.325 2.395 -11.137 1.00 0.00 C ATOM 765 O PRO C 57 5.269 2.378 -11.736 1.00 0.00 O ATOM 766 CB PRO C 57 5.586 3.453 -8.964 1.00 0.00 C ATOM 767 CG PRO C 57 4.816 4.799 -9.012 1.00 0.00 C ATOM 768 CD PRO C 57 5.420 5.645 -10.145 1.00 0.00 C ATOM 0 HA PRO C 57 7.630 3.275 -9.714 1.00 0.00 H new ATOM 0 HB2 PRO C 57 4.900 2.615 -9.090 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.072 3.324 -7.997 1.00 0.00 H new ATOM 0 HG2 PRO C 57 3.754 4.626 -9.189 1.00 0.00 H new ATOM 0 HG3 PRO C 57 4.900 5.321 -8.059 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.673 5.887 -10.901 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.811 6.591 -9.769 1.00 0.00 H new ATOM 776 N SER C 58 7.248 1.501 -11.368 1.00 0.00 N ATOM 777 CA SER C 58 7.017 0.427 -12.374 1.00 0.00 C ATOM 778 C SER C 58 5.890 -0.497 -11.905 1.00 0.00 C ATOM 779 O SER C 58 5.202 -1.103 -12.702 1.00 0.00 O ATOM 780 CB SER C 58 8.301 -0.382 -12.546 1.00 0.00 C ATOM 781 OG SER C 58 8.334 -1.430 -11.588 1.00 0.00 O ATOM 0 H SER C 58 8.154 1.469 -10.901 1.00 0.00 H new ATOM 0 HA SER C 58 6.733 0.878 -13.325 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.351 -0.795 -13.554 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.170 0.265 -12.423 1.00 0.00 H new ATOM 0 HG SER C 58 8.708 -1.093 -10.747 1.00 0.00 H new ATOM 787 N ASN C 59 5.695 -0.610 -10.621 1.00 0.00 N ATOM 788 CA ASN C 59 4.616 -1.493 -10.105 1.00 0.00 C ATOM 789 C ASN C 59 3.247 -0.864 -10.385 1.00 0.00 C ATOM 790 O ASN C 59 2.219 -1.439 -10.085 1.00 0.00 O ATOM 791 CB ASN C 59 4.801 -1.667 -8.597 1.00 0.00 C ATOM 792 CG ASN C 59 4.413 -0.372 -7.882 1.00 0.00 C ATOM 793 OD1 ASN C 59 5.032 0.655 -8.080 1.00 0.00 O ATOM 794 ND2 ASN C 59 3.407 -0.377 -7.051 1.00 0.00 N ATOM 0 H ASN C 59 6.239 -0.127 -9.906 1.00 0.00 H new ATOM 0 HA ASN C 59 4.667 -2.462 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN C 59 4.186 -2.492 -8.237 1.00 0.00 H new ATOM 0 HB3 ASN C 59 5.837 -1.921 -8.374 1.00 0.00 H new ATOM 0 HD21 ASN C 59 3.140 0.481 -6.568 1.00 0.00 H new ATOM 0 HD22 ASN C 59 2.887 -1.239 -6.885 1.00 0.00 H new ATOM 801 N TYR C 60 3.224 0.310 -10.956 1.00 0.00 N ATOM 802 CA TYR C 60 1.918 0.967 -11.251 1.00 0.00 C ATOM 803 C TYR C 60 1.746 1.125 -12.765 1.00 0.00 C ATOM 804 O TYR C 60 0.786 1.710 -13.229 1.00 0.00 O ATOM 805 CB TYR C 60 1.884 2.345 -10.588 1.00 0.00 C ATOM 806 CG TYR C 60 1.228 2.234 -9.210 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.511 1.166 -8.384 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.345 3.200 -8.774 1.00 0.00 C ATOM 809 CE1 TYR C 60 0.921 1.065 -7.141 1.00 0.00 C ATOM 810 CE2 TYR C 60 -0.246 3.100 -7.531 1.00 0.00 C ATOM 811 CZ TYR C 60 0.037 2.031 -6.705 1.00 0.00 C ATOM 812 OH TYR C 60 -0.554 1.931 -5.462 1.00 0.00 O ATOM 0 H TYR C 60 4.050 0.841 -11.230 1.00 0.00 H new ATOM 0 HA TYR C 60 1.108 0.351 -10.861 1.00 0.00 H new ATOM 0 HB2 TYR C 60 2.896 2.738 -10.490 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.329 3.046 -11.211 1.00 0.00 H new ATOM 0 HD1 TYR C 60 2.200 0.402 -8.713 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.114 4.041 -9.411 1.00 0.00 H new ATOM 0 HE1 TYR C 60 1.153 0.224 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR C 60 -0.935 3.864 -7.202 1.00 0.00 H new ATOM 0 HH TYR C 60 -1.147 2.698 -5.319 1.00 0.00 H new ATOM 822 N VAL C 61 2.666 0.610 -13.536 1.00 0.00 N ATOM 823 CA VAL C 61 2.553 0.732 -15.020 1.00 0.00 C ATOM 824 C VAL C 61 2.818 -0.631 -15.665 1.00 0.00 C ATOM 825 O VAL C 61 2.784 -1.658 -15.016 1.00 0.00 O ATOM 826 CB VAL C 61 3.567 1.774 -15.525 1.00 0.00 C ATOM 827 CG1 VAL C 61 4.926 1.117 -15.798 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.045 2.424 -16.809 1.00 0.00 C ATOM 0 H VAL C 61 3.491 0.110 -13.203 1.00 0.00 H new ATOM 0 HA VAL C 61 1.549 1.058 -15.290 1.00 0.00 H new ATOM 0 HB VAL C 61 3.694 2.535 -14.755 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.629 1.870 -16.154 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.306 0.672 -14.879 1.00 0.00 H new ATOM 0 HG13 VAL C 61 4.810 0.342 -16.556 1.00 0.00 H new ATOM 0 HG21 VAL C 61 3.766 3.161 -17.163 1.00 0.00 H new ATOM 0 HG22 VAL C 61 2.904 1.659 -17.573 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.093 2.915 -16.607 1.00 0.00 H new ATOM 838 N ALA C 62 3.078 -0.641 -16.939 1.00 0.00 N ATOM 839 CA ALA C 62 3.346 -1.928 -17.640 1.00 0.00 C ATOM 840 C ALA C 62 3.353 -1.691 -19.154 1.00 0.00 C ATOM 841 O ALA C 62 2.593 -0.884 -19.654 1.00 0.00 O ATOM 842 CB ALA C 62 2.252 -2.939 -17.288 1.00 0.00 C ATOM 0 H ALA C 62 3.117 0.190 -17.530 1.00 0.00 H new ATOM 0 HA ALA C 62 4.315 -2.318 -17.327 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.448 -3.881 -17.801 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.245 -3.107 -16.211 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.283 -2.550 -17.601 1.00 0.00 H new ATOM 848 N PRO C 63 4.213 -2.401 -19.842 1.00 0.00 N ATOM 849 CA PRO C 63 4.336 -2.283 -21.306 1.00 0.00 C ATOM 850 C PRO C 63 3.030 -2.712 -21.982 1.00 0.00 C ATOM 851 O PRO C 63 2.855 -3.859 -22.343 1.00 0.00 O ATOM 852 CB PRO C 63 5.476 -3.238 -21.685 1.00 0.00 C ATOM 853 CG PRO C 63 5.965 -3.927 -20.385 1.00 0.00 C ATOM 854 CD PRO C 63 5.135 -3.369 -19.218 1.00 0.00 C ATOM 0 HA PRO C 63 4.537 -1.260 -21.624 1.00 0.00 H new ATOM 0 HB2 PRO C 63 5.130 -3.980 -22.404 1.00 0.00 H new ATOM 0 HB3 PRO C 63 6.292 -2.691 -22.158 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.845 -5.008 -20.457 1.00 0.00 H new ATOM 0 HG3 PRO C 63 7.026 -3.734 -20.226 1.00 0.00 H new ATOM 0 HD2 PRO C 63 4.590 -4.162 -18.706 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.771 -2.888 -18.475 1.00 0.00 H new ATOM 862 N SER C 64 2.112 -1.801 -22.158 1.00 0.00 N ATOM 863 CA SER C 64 0.822 -2.161 -22.811 1.00 0.00 C ATOM 864 C SER C 64 -0.145 -0.978 -22.719 1.00 0.00 C ATOM 865 O SER C 64 -1.023 -1.021 -21.874 1.00 0.00 O ATOM 866 CB SER C 64 0.212 -3.372 -22.103 1.00 0.00 C ATOM 867 OG SER C 64 -1.128 -3.550 -22.539 1.00 0.00 O ATOM 868 OXT SER C 64 0.010 -0.051 -23.497 1.00 0.00 O ATOM 0 H SER C 64 2.200 -0.824 -21.878 1.00 0.00 H new ATOM 0 HA SER C 64 1.002 -2.404 -23.858 1.00 0.00 H new ATOM 0 HB2 SER C 64 0.798 -4.266 -22.319 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.238 -3.227 -21.023 1.00 0.00 H new ATOM 0 HG SER C 64 -1.699 -2.866 -22.130 1.00 0.00 H new ATOM 875 N ARG R 71 14.059 2.337 -0.596 1.00 0.00 N ATOM 876 CA ARG R 71 12.778 2.715 -1.256 1.00 0.00 C ATOM 877 C ARG R 71 11.825 1.517 -1.246 1.00 0.00 C ATOM 878 O ARG R 71 12.216 0.401 -1.523 1.00 0.00 O ATOM 879 CB ARG R 71 13.054 3.135 -2.702 1.00 0.00 C ATOM 880 CG ARG R 71 12.129 4.293 -3.081 1.00 0.00 C ATOM 881 CD ARG R 71 12.940 5.587 -3.168 1.00 0.00 C ATOM 882 NE ARG R 71 12.027 6.756 -3.031 1.00 0.00 N ATOM 883 CZ ARG R 71 11.283 7.129 -4.037 1.00 0.00 C ATOM 884 NH1 ARG R 71 11.340 6.483 -5.171 1.00 0.00 N ATOM 885 NH2 ARG R 71 10.482 8.151 -3.911 1.00 0.00 N ATOM 0 HA ARG R 71 12.323 3.546 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.096 3.436 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.893 2.292 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.646 4.089 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.337 4.397 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG R 71 13.696 5.608 -2.383 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.468 5.634 -4.120 1.00 0.00 H new ATOM 0 HE ARG R 71 11.983 7.266 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG R 71 11.967 5.685 -5.272 1.00 0.00 H new ATOM 0 HH12 ARG R 71 10.758 6.777 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG R 71 10.437 8.658 -3.027 1.00 0.00 H new ATOM 0 HH22 ARG R 71 9.900 8.443 -4.696 1.00 0.00 H new ATOM 901 N ALA R 72 10.580 1.739 -0.929 1.00 0.00 N ATOM 902 CA ALA R 72 9.605 0.611 -0.902 1.00 0.00 C ATOM 903 C ALA R 72 8.559 0.816 -2.000 1.00 0.00 C ATOM 904 O ALA R 72 7.806 1.769 -1.983 1.00 0.00 O ATOM 905 CB ALA R 72 8.912 0.566 0.462 1.00 0.00 C ATOM 0 H ALA R 72 10.195 2.652 -0.687 1.00 0.00 H new ATOM 0 HA ALA R 72 10.131 -0.328 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA R 72 8.199 -0.259 0.481 1.00 0.00 H new ATOM 0 HB2 ALA R 72 9.657 0.420 1.244 1.00 0.00 H new ATOM 0 HB3 ALA R 72 8.385 1.505 0.634 1.00 0.00 H new ATOM 911 N LEU R 73 8.507 -0.073 -2.953 1.00 0.00 N ATOM 912 CA LEU R 73 7.512 0.068 -4.052 1.00 0.00 C ATOM 913 C LEU R 73 6.097 0.091 -3.465 1.00 0.00 C ATOM 914 O LEU R 73 5.828 -0.567 -2.481 1.00 0.00 O ATOM 915 CB LEU R 73 7.637 -1.120 -5.008 1.00 0.00 C ATOM 916 CG LEU R 73 8.905 -0.971 -5.850 1.00 0.00 C ATOM 917 CD1 LEU R 73 9.151 -2.265 -6.628 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.733 0.189 -6.831 1.00 0.00 C ATOM 0 H LEU R 73 9.112 -0.892 -3.018 1.00 0.00 H new ATOM 0 HA LEU R 73 7.700 0.997 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.671 -2.052 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.762 -1.172 -5.656 1.00 0.00 H new ATOM 0 HG LEU R 73 9.755 -0.770 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU R 73 10.054 -2.162 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU R 73 9.273 -3.092 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU R 73 8.301 -2.464 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.637 0.295 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.884 -0.011 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.555 1.111 -6.277 1.00 0.00 H new ATOM 930 N PRO R 74 5.233 0.851 -4.091 1.00 0.00 N ATOM 931 CA PRO R 74 3.835 0.972 -3.644 1.00 0.00 C ATOM 932 C PRO R 74 3.160 -0.408 -3.703 1.00 0.00 C ATOM 933 O PRO R 74 3.158 -1.044 -4.737 1.00 0.00 O ATOM 934 CB PRO R 74 3.190 1.948 -4.631 1.00 0.00 C ATOM 935 CG PRO R 74 4.277 2.378 -5.651 1.00 0.00 C ATOM 936 CD PRO R 74 5.577 1.645 -5.284 1.00 0.00 C ATOM 0 HA PRO R 74 3.743 1.328 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.351 1.476 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO R 74 2.794 2.817 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.970 2.127 -6.666 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.425 3.458 -5.620 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.916 1.007 -6.100 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.383 2.348 -5.073 1.00 0.00 H new ATOM 944 N PRO R 75 2.610 -0.833 -2.592 1.00 0.00 N ATOM 945 CA PRO R 75 1.930 -2.141 -2.504 1.00 0.00 C ATOM 946 C PRO R 75 0.777 -2.237 -3.510 1.00 0.00 C ATOM 947 O PRO R 75 -0.185 -1.498 -3.440 1.00 0.00 O ATOM 948 CB PRO R 75 1.399 -2.214 -1.066 1.00 0.00 C ATOM 949 CG PRO R 75 1.841 -0.919 -0.334 1.00 0.00 C ATOM 950 CD PRO R 75 2.609 -0.051 -1.342 1.00 0.00 C ATOM 0 HA PRO R 75 2.606 -2.963 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.313 -2.303 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.792 -3.094 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.974 -0.382 0.050 1.00 0.00 H new ATOM 0 HG3 PRO R 75 2.472 -1.160 0.522 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.125 0.916 -1.481 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.624 0.148 -0.999 1.00 0.00 H new ATOM 958 N LEU R 76 0.872 -3.145 -4.446 1.00 0.00 N ATOM 959 CA LEU R 76 -0.212 -3.298 -5.458 1.00 0.00 C ATOM 960 C LEU R 76 -1.409 -3.995 -4.804 1.00 0.00 C ATOM 961 O LEU R 76 -1.291 -4.517 -3.715 1.00 0.00 O ATOM 962 CB LEU R 76 0.294 -4.152 -6.623 1.00 0.00 C ATOM 963 CG LEU R 76 1.114 -3.281 -7.574 1.00 0.00 C ATOM 964 CD1 LEU R 76 1.903 -4.175 -8.534 1.00 0.00 C ATOM 965 CD2 LEU R 76 0.176 -2.376 -8.376 1.00 0.00 C ATOM 0 H LEU R 76 1.656 -3.788 -4.552 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.510 -2.317 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU R 76 0.904 -4.973 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -0.547 -4.597 -7.154 1.00 0.00 H new ATOM 0 HG LEU R 76 1.806 -2.667 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU R 76 2.488 -3.554 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU R 76 2.572 -4.819 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU R 76 1.211 -4.790 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU R 76 0.761 -1.755 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -0.517 -2.989 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -0.386 -1.738 -7.694 1.00 0.00 H new