USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 33 THR OG1 : rot 58:sc= 1.03 USER MOD Set 1.2: A 34 SER OG : rot 56:sc= 2.13 USER MOD Set 2.1: A 14 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 30 LYS NZ :NH3+ -104:sc= 0.0423 (180deg=-0.202) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.736 K(o=0.74,f=0.093) USER MOD Set 3.2: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 146:sc= -0.0403 (180deg=-0.122) USER MOD Single : A 5 TYR OH : rot 118:sc= 1.3 USER MOD Single : A 11 ASN : amide:sc= 1.41 K(o=1.4,f=-7.6!) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 25 THR OG1 : rot 83:sc= 1.48 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0.512 (180deg=-0.735) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.766 F(o=-2.1!,f=-0.77) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00847) USER MOD Single : A 43 HIS : no HD1:sc= -0.511 K(o=-0.51,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= 0.929 K(o=0.93,f=-0.65!) USER MOD Single : A 55 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.417 12.594 5.381 1.00 0.00 N ATOM 2 CA VAL A 1 6.058 11.282 4.789 1.00 0.00 C ATOM 3 C VAL A 1 5.046 10.558 5.628 1.00 0.00 C ATOM 4 O VAL A 1 4.712 10.965 6.742 1.00 0.00 O ATOM 5 CB VAL A 1 7.282 10.392 4.544 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.035 10.929 3.312 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.181 10.272 5.794 1.00 0.00 C ATOM 0 H1 VAL A 1 7.417 12.801 5.186 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.822 13.338 4.964 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.264 12.564 6.409 1.00 0.00 H new ATOM 0 HA VAL A 1 5.613 11.499 3.818 1.00 0.00 H new ATOM 0 HB VAL A 1 6.956 9.372 4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.910 10.308 3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.376 10.904 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.352 11.955 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.034 9.632 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.536 11.261 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.608 9.838 6.614 1.00 0.00 H new ATOM 19 N ARG A 2 4.519 9.458 5.057 1.00 0.00 N ATOM 20 CA ARG A 2 3.485 8.638 5.612 1.00 0.00 C ATOM 21 C ARG A 2 4.114 7.289 5.801 1.00 0.00 C ATOM 22 O ARG A 2 5.150 6.995 5.198 1.00 0.00 O ATOM 23 CB ARG A 2 2.321 8.442 4.606 1.00 0.00 C ATOM 24 CG ARG A 2 1.877 9.730 3.888 1.00 0.00 C ATOM 25 CD ARG A 2 1.183 9.440 2.547 1.00 0.00 C ATOM 26 NE ARG A 2 -0.235 9.008 2.780 1.00 0.00 N ATOM 27 CZ ARG A 2 -1.314 9.837 2.616 1.00 0.00 C ATOM 28 NH1 ARG A 2 -1.174 11.106 2.133 1.00 0.00 N ATOM 29 NH2 ARG A 2 -2.560 9.386 2.946 1.00 0.00 N ATOM 0 H ARG A 2 4.837 9.120 4.148 1.00 0.00 H new ATOM 0 HA ARG A 2 3.094 9.091 6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.623 7.709 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.466 8.023 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.198 10.287 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.746 10.365 3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.201 10.331 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.724 8.661 2.010 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.405 8.047 3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.249 11.458 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.994 11.702 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.680 8.441 3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.370 9.994 2.828 1.00 0.00 H new ATOM 43 N ASP A 3 3.469 6.414 6.600 1.00 0.00 N ATOM 44 CA ASP A 3 3.792 5.019 6.673 1.00 0.00 C ATOM 45 C ASP A 3 2.389 4.538 6.748 1.00 0.00 C ATOM 46 O ASP A 3 1.591 5.192 7.427 1.00 0.00 O ATOM 47 CB ASP A 3 4.519 4.566 7.966 1.00 0.00 C ATOM 48 CG ASP A 3 5.832 5.323 8.146 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.694 5.238 7.233 1.00 0.00 O ATOM 50 OD2 ASP A 3 5.993 5.999 9.199 1.00 0.00 O ATOM 0 H ASP A 3 2.700 6.686 7.213 1.00 0.00 H new ATOM 0 HA ASP A 3 4.459 4.679 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.875 4.736 8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.715 3.495 7.921 1.00 0.00 H new ATOM 55 N GLY A 4 2.011 3.474 6.018 1.00 0.00 N ATOM 56 CA GLY A 4 0.690 2.950 6.179 1.00 0.00 C ATOM 57 C GLY A 4 0.768 1.592 5.607 1.00 0.00 C ATOM 58 O GLY A 4 1.808 1.215 5.066 1.00 0.00 O ATOM 0 H GLY A 4 2.597 2.990 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.397 2.924 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.047 3.560 5.657 1.00 0.00 H new ATOM 62 N TYR A 5 -0.379 0.876 5.597 1.00 0.00 N ATOM 63 CA TYR A 5 -0.572 -0.219 4.689 1.00 0.00 C ATOM 64 C TYR A 5 -0.816 0.483 3.387 1.00 0.00 C ATOM 65 O TYR A 5 -1.604 1.424 3.346 1.00 0.00 O ATOM 66 CB TYR A 5 -1.803 -1.094 5.013 1.00 0.00 C ATOM 67 CG TYR A 5 -1.482 -2.102 6.071 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.664 -1.782 7.427 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.045 -3.392 5.724 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.446 -2.745 8.419 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.836 -4.360 6.714 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.057 -4.039 8.062 1.00 0.00 C ATOM 73 OH TYR A 5 -0.953 -5.023 9.066 1.00 0.00 O ATOM 0 H TYR A 5 -1.169 1.056 6.216 1.00 0.00 H new ATOM 0 HA TYR A 5 0.277 -0.902 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.626 -0.461 5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.139 -1.604 4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.974 -0.786 7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.869 -3.638 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.578 -2.488 9.460 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.506 -5.351 6.441 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.590 -5.745 8.884 1.00 0.00 H new ATOM 83 N ILE A 6 -0.119 0.085 2.309 1.00 0.00 N ATOM 84 CA ILE A 6 -0.223 0.737 1.040 1.00 0.00 C ATOM 85 C ILE A 6 -1.419 0.132 0.378 1.00 0.00 C ATOM 86 O ILE A 6 -1.668 -1.090 0.435 1.00 0.00 O ATOM 87 CB ILE A 6 1.020 0.749 0.141 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.795 1.564 -1.166 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.487 -0.687 -0.139 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.044 1.768 -2.026 1.00 0.00 C ATOM 0 H ILE A 6 0.528 -0.703 2.318 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.327 1.807 1.218 1.00 0.00 H new ATOM 0 HB ILE A 6 1.818 1.263 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.038 1.058 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.391 2.541 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.370 -0.664 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.733 -1.180 0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.691 -1.237 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.785 2.346 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.798 2.305 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.440 0.798 -2.328 1.00 0.00 H new ATOM 102 N ALA A 7 -2.180 1.086 -0.196 1.00 0.00 N ATOM 103 CA ALA A 7 -3.350 0.899 -0.990 1.00 0.00 C ATOM 104 C ALA A 7 -3.002 1.080 -2.429 1.00 0.00 C ATOM 105 O ALA A 7 -1.984 0.593 -2.905 1.00 0.00 O ATOM 106 CB ALA A 7 -4.458 1.900 -0.647 1.00 0.00 C ATOM 0 H ALA A 7 -1.950 2.074 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.717 -0.107 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.325 1.714 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.741 1.785 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.097 2.914 -0.816 1.00 0.00 H new ATOM 112 N GLN A 8 -3.875 1.802 -3.145 1.00 0.00 N ATOM 113 CA GLN A 8 -3.736 2.255 -4.487 1.00 0.00 C ATOM 114 C GLN A 8 -4.484 3.540 -4.302 1.00 0.00 C ATOM 115 O GLN A 8 -5.241 3.596 -3.325 1.00 0.00 O ATOM 116 CB GLN A 8 -4.518 1.396 -5.503 1.00 0.00 C ATOM 117 CG GLN A 8 -3.986 -0.039 -5.613 1.00 0.00 C ATOM 118 CD GLN A 8 -5.016 -0.844 -6.398 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.320 -0.501 -7.546 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.584 -1.910 -5.766 1.00 0.00 N ATOM 0 H GLN A 8 -4.765 2.096 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.714 2.271 -4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.568 1.367 -5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.471 1.871 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.020 -0.053 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.834 -0.470 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.298 -2.152 -4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.295 -2.466 -6.242 1.00 0.00 H new ATOM 129 N PRO A 9 -4.334 4.565 -5.130 1.00 0.00 N ATOM 130 CA PRO A 9 -5.128 5.774 -5.021 1.00 0.00 C ATOM 131 C PRO A 9 -6.552 5.452 -5.428 1.00 0.00 C ATOM 132 O PRO A 9 -6.742 4.646 -6.339 1.00 0.00 O ATOM 133 CB PRO A 9 -4.471 6.755 -6.007 1.00 0.00 C ATOM 134 CG PRO A 9 -3.730 5.867 -7.017 1.00 0.00 C ATOM 135 CD PRO A 9 -3.330 4.643 -6.190 1.00 0.00 C ATOM 0 HA PRO A 9 -5.164 6.191 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.217 7.377 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.784 7.428 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.370 5.593 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.859 6.373 -7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.326 3.739 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.327 4.755 -5.778 1.00 0.00 H new ATOM 143 N GLU A 10 -7.595 6.009 -4.779 1.00 0.00 N ATOM 144 CA GLU A 10 -7.565 7.046 -3.776 1.00 0.00 C ATOM 145 C GLU A 10 -7.579 6.382 -2.440 1.00 0.00 C ATOM 146 O GLU A 10 -6.998 6.880 -1.480 1.00 0.00 O ATOM 147 CB GLU A 10 -8.815 7.942 -3.878 1.00 0.00 C ATOM 148 CG GLU A 10 -8.749 8.923 -5.059 1.00 0.00 C ATOM 149 CD GLU A 10 -10.097 9.620 -5.210 1.00 0.00 C ATOM 150 OE1 GLU A 10 -11.089 8.915 -5.538 1.00 0.00 O ATOM 151 OE2 GLU A 10 -10.155 10.861 -5.006 1.00 0.00 O ATOM 0 H GLU A 10 -8.550 5.707 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.676 7.661 -3.918 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.699 7.314 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.931 8.504 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.963 9.659 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.497 8.390 -5.976 1.00 0.00 H new ATOM 158 N ASN A 11 -8.253 5.227 -2.356 1.00 0.00 N ATOM 159 CA ASN A 11 -8.375 4.461 -1.176 1.00 0.00 C ATOM 160 C ASN A 11 -8.483 3.171 -1.897 1.00 0.00 C ATOM 161 O ASN A 11 -9.005 3.164 -3.014 1.00 0.00 O ATOM 162 CB ASN A 11 -9.684 4.737 -0.402 1.00 0.00 C ATOM 163 CG ASN A 11 -9.692 3.998 0.932 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.724 3.331 1.316 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.804 4.188 1.703 1.00 0.00 N ATOM 0 H ASN A 11 -8.734 4.813 -3.154 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.605 4.599 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.791 5.808 -0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.539 4.424 -1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.857 3.772 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.581 4.745 1.349 1.00 0.00 H new ATOM 172 N CYS A 12 -7.968 2.103 -1.293 1.00 0.00 N ATOM 173 CA CYS A 12 -7.970 0.753 -1.799 1.00 0.00 C ATOM 174 C CYS A 12 -7.191 -0.035 -0.811 1.00 0.00 C ATOM 175 O CYS A 12 -7.002 0.421 0.311 1.00 0.00 O ATOM 176 CB CYS A 12 -7.432 0.570 -3.253 1.00 0.00 C ATOM 177 SG CYS A 12 -8.432 -0.512 -4.317 1.00 0.00 S ATOM 0 H CYS A 12 -7.513 2.172 -0.383 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.000 0.412 -1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.361 1.551 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.420 0.168 -3.201 1.00 0.00 H new ATOM 0 HG CYS A 12 -7.888 -0.584 -5.496 1.00 0.00 H new ATOM 182 N VAL A 13 -6.678 -1.208 -1.228 1.00 0.00 N ATOM 183 CA VAL A 13 -5.631 -1.925 -0.579 1.00 0.00 C ATOM 184 C VAL A 13 -4.795 -2.236 -1.787 1.00 0.00 C ATOM 185 O VAL A 13 -5.333 -2.211 -2.901 1.00 0.00 O ATOM 186 CB VAL A 13 -6.059 -3.198 0.128 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.674 -2.830 1.494 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.003 -4.037 -0.759 1.00 0.00 C ATOM 0 H VAL A 13 -7.016 -1.680 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.161 -1.370 0.233 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.192 -3.833 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.985 -3.739 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.933 -2.306 2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.540 -2.185 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.293 -4.943 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.893 -3.454 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.490 -4.307 -1.682 1.00 0.00 H new ATOM 198 N TYR A 14 -3.478 -2.513 -1.609 1.00 0.00 N ATOM 199 CA TYR A 14 -2.692 -3.187 -2.618 1.00 0.00 C ATOM 200 C TYR A 14 -2.877 -4.654 -2.354 1.00 0.00 C ATOM 201 O TYR A 14 -3.879 -5.062 -1.773 1.00 0.00 O ATOM 202 CB TYR A 14 -1.190 -2.749 -2.737 1.00 0.00 C ATOM 203 CG TYR A 14 -0.825 -2.247 -4.124 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.390 -2.795 -5.296 1.00 0.00 C ATOM 205 CD2 TYR A 14 0.080 -1.179 -4.264 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.174 -2.202 -6.545 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.323 -0.600 -5.516 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.344 -1.081 -6.653 1.00 0.00 C ATOM 209 OH TYR A 14 -0.213 -0.415 -7.891 1.00 0.00 O ATOM 0 H TYR A 14 -2.957 -2.270 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.052 -2.900 -3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.987 -1.964 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.550 -3.594 -2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.998 -3.685 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.595 -0.800 -3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.648 -2.610 -7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.024 0.217 -5.606 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.043 -0.510 -8.403 1.00 0.00 H new ATOM 219 N HIS A 15 -1.928 -5.506 -2.763 1.00 0.00 N ATOM 220 CA HIS A 15 -2.029 -6.906 -2.487 1.00 0.00 C ATOM 221 C HIS A 15 -0.617 -7.135 -2.136 1.00 0.00 C ATOM 222 O HIS A 15 0.240 -6.331 -2.507 1.00 0.00 O ATOM 223 CB HIS A 15 -2.480 -7.797 -3.663 1.00 0.00 C ATOM 224 CG HIS A 15 -3.967 -7.696 -3.885 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.554 -6.686 -4.601 1.00 0.00 N ATOM 226 CD2 HIS A 15 -4.968 -8.441 -3.357 1.00 0.00 C ATOM 227 CE1 HIS A 15 -5.871 -6.815 -4.504 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.148 -7.872 -3.754 1.00 0.00 N ATOM 0 H HIS A 15 -1.094 -5.232 -3.282 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.789 -7.159 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.953 -7.500 -4.570 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.209 -8.834 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.856 -9.319 -2.739 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.600 -6.163 -4.963 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.082 -8.205 -3.514 1.00 0.00 H new ATOM 237 N CYS A 16 -0.349 -8.172 -1.331 1.00 0.00 N ATOM 238 CA CYS A 16 0.863 -8.234 -0.580 1.00 0.00 C ATOM 239 C CYS A 16 1.841 -9.051 -1.335 1.00 0.00 C ATOM 240 O CYS A 16 1.540 -9.616 -2.385 1.00 0.00 O ATOM 241 CB CYS A 16 0.651 -8.841 0.817 1.00 0.00 C ATOM 242 SG CYS A 16 1.728 -8.132 2.080 1.00 0.00 S ATOM 0 H CYS A 16 -0.971 -8.969 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 16 1.231 -7.218 -0.436 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.388 -8.696 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.822 -9.916 0.767 1.00 0.00 H new ATOM 247 N PHE A 17 3.061 -9.113 -0.792 1.00 0.00 N ATOM 248 CA PHE A 17 4.151 -9.760 -1.411 1.00 0.00 C ATOM 249 C PHE A 17 4.751 -10.676 -0.378 1.00 0.00 C ATOM 250 O PHE A 17 5.698 -10.290 0.300 1.00 0.00 O ATOM 251 CB PHE A 17 5.154 -8.729 -2.010 1.00 0.00 C ATOM 252 CG PHE A 17 5.804 -7.712 -1.087 1.00 0.00 C ATOM 253 CD1 PHE A 17 5.103 -6.833 -0.236 1.00 0.00 C ATOM 254 CD2 PHE A 17 7.198 -7.573 -1.174 1.00 0.00 C ATOM 255 CE1 PHE A 17 5.793 -5.874 0.515 1.00 0.00 C ATOM 256 CE2 PHE A 17 7.890 -6.624 -0.418 1.00 0.00 C ATOM 257 CZ PHE A 17 7.183 -5.770 0.432 1.00 0.00 C ATOM 0 H PHE A 17 3.291 -8.696 0.110 1.00 0.00 H new ATOM 0 HA PHE A 17 3.838 -10.354 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.952 -9.290 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.631 -8.177 -2.792 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.028 -6.900 -0.163 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.750 -8.217 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.245 -5.208 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.965 -6.551 -0.490 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.709 -5.033 1.022 1.00 0.00 H new ATOM 267 N PRO A 18 4.257 -11.905 -0.205 1.00 0.00 N ATOM 268 CA PRO A 18 4.970 -12.927 0.546 1.00 0.00 C ATOM 269 C PRO A 18 6.067 -13.509 -0.307 1.00 0.00 C ATOM 270 O PRO A 18 6.825 -14.338 0.188 1.00 0.00 O ATOM 271 CB PRO A 18 3.909 -13.997 0.862 1.00 0.00 C ATOM 272 CG PRO A 18 2.800 -13.775 -0.174 1.00 0.00 C ATOM 273 CD PRO A 18 2.849 -12.267 -0.399 1.00 0.00 C ATOM 0 HA PRO A 18 5.435 -12.536 1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.326 -15.001 0.785 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.528 -13.887 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.989 -14.328 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.828 -14.098 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.508 -12.005 -1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.205 -11.741 0.305 1.00 0.00 H new ATOM 281 N GLY A 19 6.168 -13.101 -1.587 1.00 0.00 N ATOM 282 CA GLY A 19 7.220 -13.469 -2.480 1.00 0.00 C ATOM 283 C GLY A 19 7.353 -12.151 -3.148 1.00 0.00 C ATOM 284 O GLY A 19 6.338 -11.474 -3.320 1.00 0.00 O ATOM 0 H GLY A 19 5.480 -12.484 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.129 -13.785 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.943 -14.272 -3.163 1.00 0.00 H new ATOM 288 N SER A 20 8.597 -11.733 -3.450 1.00 0.00 N ATOM 289 CA SER A 20 8.993 -10.357 -3.568 1.00 0.00 C ATOM 290 C SER A 20 8.417 -9.593 -4.734 1.00 0.00 C ATOM 291 O SER A 20 7.825 -8.527 -4.543 1.00 0.00 O ATOM 292 CB SER A 20 10.536 -10.303 -3.628 1.00 0.00 C ATOM 293 OG SER A 20 11.069 -11.217 -2.670 1.00 0.00 O ATOM 0 H SER A 20 9.364 -12.383 -3.620 1.00 0.00 H new ATOM 0 HA SER A 20 8.583 -9.857 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.883 -10.561 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.886 -9.292 -3.420 1.00 0.00 H new ATOM 0 HG SER A 20 12.048 -11.191 -2.702 1.00 0.00 H new ATOM 299 N SER A 21 8.613 -10.118 -5.966 1.00 0.00 N ATOM 300 CA SER A 21 8.614 -9.420 -7.233 1.00 0.00 C ATOM 301 C SER A 21 7.335 -8.752 -7.684 1.00 0.00 C ATOM 302 O SER A 21 7.262 -8.258 -8.807 1.00 0.00 O ATOM 303 CB SER A 21 9.002 -10.426 -8.343 1.00 0.00 C ATOM 304 OG SER A 21 9.961 -11.361 -7.842 1.00 0.00 O ATOM 0 H SER A 21 8.786 -11.116 -6.088 1.00 0.00 H new ATOM 0 HA SER A 21 9.318 -8.604 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.115 -10.954 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.414 -9.893 -9.200 1.00 0.00 H new ATOM 0 HG SER A 21 10.200 -11.995 -8.550 1.00 0.00 H new ATOM 310 N GLY A 22 6.292 -8.732 -6.835 1.00 0.00 N ATOM 311 CA GLY A 22 5.103 -7.953 -7.063 1.00 0.00 C ATOM 312 C GLY A 22 5.288 -6.613 -6.420 1.00 0.00 C ATOM 313 O GLY A 22 5.830 -5.672 -7.012 1.00 0.00 O ATOM 0 H GLY A 22 6.269 -9.268 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.923 -7.840 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.232 -8.458 -6.645 1.00 0.00 H new ATOM 317 N CYS A 23 4.816 -6.513 -5.151 1.00 0.00 N ATOM 318 CA CYS A 23 4.621 -5.266 -4.445 1.00 0.00 C ATOM 319 C CYS A 23 5.930 -4.641 -4.054 1.00 0.00 C ATOM 320 O CYS A 23 5.945 -3.444 -3.799 1.00 0.00 O ATOM 321 CB CYS A 23 3.681 -5.353 -3.188 1.00 0.00 C ATOM 322 SG CYS A 23 3.198 -3.743 -2.433 1.00 0.00 S ATOM 0 H CYS A 23 4.561 -7.330 -4.596 1.00 0.00 H new ATOM 0 HA CYS A 23 4.106 -4.633 -5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.774 -5.886 -3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.178 -5.955 -2.427 1.00 0.00 H new ATOM 327 N ASP A 24 7.075 -5.370 -4.029 1.00 0.00 N ATOM 328 CA ASP A 24 8.350 -4.758 -3.678 1.00 0.00 C ATOM 329 C ASP A 24 8.692 -3.684 -4.692 1.00 0.00 C ATOM 330 O ASP A 24 8.961 -2.526 -4.363 1.00 0.00 O ATOM 331 CB ASP A 24 9.502 -5.802 -3.629 1.00 0.00 C ATOM 332 CG ASP A 24 10.742 -5.294 -2.880 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.677 -4.205 -2.252 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.772 -6.019 -2.917 1.00 0.00 O ATOM 0 H ASP A 24 7.126 -6.365 -4.246 1.00 0.00 H new ATOM 0 HA ASP A 24 8.247 -4.324 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.141 -6.711 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.784 -6.071 -4.647 1.00 0.00 H new ATOM 339 N THR A 25 8.598 -4.071 -5.974 1.00 0.00 N ATOM 340 CA THR A 25 8.726 -3.238 -7.135 1.00 0.00 C ATOM 341 C THR A 25 7.703 -2.121 -7.144 1.00 0.00 C ATOM 342 O THR A 25 8.051 -0.969 -7.398 1.00 0.00 O ATOM 343 CB THR A 25 8.586 -4.102 -8.381 1.00 0.00 C ATOM 344 OG1 THR A 25 8.261 -5.452 -8.029 1.00 0.00 O ATOM 345 CG2 THR A 25 9.941 -4.109 -9.119 1.00 0.00 C ATOM 0 H THR A 25 8.418 -5.044 -6.221 1.00 0.00 H new ATOM 0 HA THR A 25 9.709 -2.767 -7.118 1.00 0.00 H new ATOM 0 HB THR A 25 7.791 -3.696 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.295 -5.529 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.863 -4.723 -10.016 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.208 -3.090 -9.399 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.710 -4.519 -8.464 1.00 0.00 H new ATOM 353 N LEU A 26 6.417 -2.436 -6.843 1.00 0.00 N ATOM 354 CA LEU A 26 5.337 -1.465 -6.853 1.00 0.00 C ATOM 355 C LEU A 26 5.539 -0.423 -5.784 1.00 0.00 C ATOM 356 O LEU A 26 5.385 0.776 -6.010 1.00 0.00 O ATOM 357 CB LEU A 26 3.946 -2.097 -6.610 1.00 0.00 C ATOM 358 CG LEU A 26 3.524 -3.145 -7.666 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.205 -3.835 -7.271 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.412 -2.543 -9.080 1.00 0.00 C ATOM 0 H LEU A 26 6.119 -3.378 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 26 5.361 -1.025 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.942 -2.568 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.199 -1.303 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 26 4.316 -3.894 -7.692 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.935 -4.566 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.331 -4.339 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.415 -3.089 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.113 -3.320 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.666 -1.748 -9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.377 -2.135 -9.379 1.00 0.00 H new ATOM 372 N CYS A 27 5.924 -0.873 -4.571 1.00 0.00 N ATOM 373 CA CYS A 27 6.227 -0.035 -3.426 1.00 0.00 C ATOM 374 C CYS A 27 7.343 0.907 -3.789 1.00 0.00 C ATOM 375 O CYS A 27 7.260 2.107 -3.528 1.00 0.00 O ATOM 376 CB CYS A 27 6.642 -0.865 -2.171 1.00 0.00 C ATOM 377 SG CYS A 27 6.725 0.070 -0.616 1.00 0.00 S ATOM 0 H CYS A 27 6.032 -1.867 -4.371 1.00 0.00 H new ATOM 0 HA CYS A 27 5.321 0.514 -3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.933 -1.684 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.617 -1.314 -2.359 1.00 0.00 H new ATOM 382 N LYS A 28 8.382 0.375 -4.471 1.00 0.00 N ATOM 383 CA LYS A 28 9.548 1.118 -4.875 1.00 0.00 C ATOM 384 C LYS A 28 9.184 2.236 -5.819 1.00 0.00 C ATOM 385 O LYS A 28 9.512 3.393 -5.563 1.00 0.00 O ATOM 386 CB LYS A 28 10.613 0.205 -5.541 1.00 0.00 C ATOM 387 CG LYS A 28 12.043 0.778 -5.547 1.00 0.00 C ATOM 388 CD LYS A 28 12.973 0.258 -4.428 1.00 0.00 C ATOM 389 CE LYS A 28 12.628 0.712 -2.997 1.00 0.00 C ATOM 390 NZ LYS A 28 11.541 -0.098 -2.395 1.00 0.00 N ATOM 0 H LYS A 28 8.413 -0.605 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 28 9.976 1.543 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.623 -0.754 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.311 0.009 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.502 0.553 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.981 1.863 -5.469 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.965 -0.832 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.991 0.575 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.518 0.643 -2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.330 1.760 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.715 0.508 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.275 -0.862 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.870 -0.508 -1.498 1.00 0.00 H new ATOM 404 N GLU A 29 8.464 1.926 -6.925 1.00 0.00 N ATOM 405 CA GLU A 29 8.145 2.910 -7.945 1.00 0.00 C ATOM 406 C GLU A 29 7.194 3.975 -7.444 1.00 0.00 C ATOM 407 O GLU A 29 7.213 5.098 -7.943 1.00 0.00 O ATOM 408 CB GLU A 29 7.583 2.299 -9.255 1.00 0.00 C ATOM 409 CG GLU A 29 6.316 1.451 -9.073 1.00 0.00 C ATOM 410 CD GLU A 29 5.910 0.817 -10.401 1.00 0.00 C ATOM 411 OE1 GLU A 29 5.492 1.579 -11.315 1.00 0.00 O ATOM 412 OE2 GLU A 29 6.008 -0.433 -10.518 1.00 0.00 O ATOM 0 H GLU A 29 8.100 0.993 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 29 9.106 3.368 -8.180 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.366 3.107 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.355 1.681 -9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.494 0.674 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.504 2.073 -8.696 1.00 0.00 H new ATOM 419 N LYS A 30 6.359 3.648 -6.428 1.00 0.00 N ATOM 420 CA LYS A 30 5.439 4.588 -5.817 1.00 0.00 C ATOM 421 C LYS A 30 6.162 5.468 -4.829 1.00 0.00 C ATOM 422 O LYS A 30 5.628 6.494 -4.406 1.00 0.00 O ATOM 423 CB LYS A 30 4.281 3.882 -5.068 1.00 0.00 C ATOM 424 CG LYS A 30 3.265 3.189 -5.997 1.00 0.00 C ATOM 425 CD LYS A 30 2.341 4.157 -6.756 1.00 0.00 C ATOM 426 CE LYS A 30 1.276 3.450 -7.610 1.00 0.00 C ATOM 427 NZ LYS A 30 0.320 2.688 -6.772 1.00 0.00 N ATOM 0 H LYS A 30 6.319 2.714 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 30 5.022 5.179 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.700 3.141 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.757 4.616 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.808 2.580 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.652 2.510 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.844 4.810 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.947 4.794 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.734 4.188 -8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.763 2.774 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.539 1.673 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.398 3.002 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.649 2.854 -7.112 1.00 0.00 H new ATOM 441 N GLY A 31 7.408 5.101 -4.461 1.00 0.00 N ATOM 442 CA GLY A 31 8.273 5.950 -3.686 1.00 0.00 C ATOM 443 C GLY A 31 8.303 5.512 -2.262 1.00 0.00 C ATOM 444 O GLY A 31 8.612 6.311 -1.384 1.00 0.00 O ATOM 0 H GLY A 31 7.823 4.201 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.281 5.926 -4.100 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.928 6.982 -3.747 1.00 0.00 H new ATOM 448 N GLY A 32 7.996 4.225 -1.984 1.00 0.00 N ATOM 449 CA GLY A 32 8.179 3.648 -0.681 1.00 0.00 C ATOM 450 C GLY A 32 9.522 3.013 -0.723 1.00 0.00 C ATOM 451 O GLY A 32 9.776 2.124 -1.534 1.00 0.00 O ATOM 0 H GLY A 32 7.616 3.577 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.127 4.409 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.403 2.915 -0.462 1.00 0.00 H new ATOM 455 N THR A 33 10.438 3.460 0.159 1.00 0.00 N ATOM 456 CA THR A 33 11.820 3.061 0.133 1.00 0.00 C ATOM 457 C THR A 33 11.988 1.740 0.824 1.00 0.00 C ATOM 458 O THR A 33 13.054 1.127 0.796 1.00 0.00 O ATOM 459 CB THR A 33 12.645 4.093 0.882 1.00 0.00 C ATOM 460 OG1 THR A 33 11.995 4.476 2.095 1.00 0.00 O ATOM 461 CG2 THR A 33 12.765 5.342 -0.015 1.00 0.00 C ATOM 0 H THR A 33 10.216 4.114 0.909 1.00 0.00 H new ATOM 0 HA THR A 33 12.146 2.980 -0.904 1.00 0.00 H new ATOM 0 HB THR A 33 13.621 3.671 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.847 3.683 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.354 6.103 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.256 5.072 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.771 5.735 -0.227 1.00 0.00 H new ATOM 469 N SER A 34 10.928 1.326 1.526 1.00 0.00 N ATOM 470 CA SER A 34 11.008 0.354 2.551 1.00 0.00 C ATOM 471 C SER A 34 9.572 -0.035 2.566 1.00 0.00 C ATOM 472 O SER A 34 8.717 0.796 2.253 1.00 0.00 O ATOM 473 CB SER A 34 11.453 0.991 3.902 1.00 0.00 C ATOM 474 OG SER A 34 11.347 2.423 3.890 1.00 0.00 O ATOM 0 H SER A 34 9.984 1.682 1.373 1.00 0.00 H new ATOM 0 HA SER A 34 11.723 -0.456 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.840 0.590 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.484 0.707 4.113 1.00 0.00 H new ATOM 0 HG SER A 34 10.430 2.681 3.661 1.00 0.00 H new ATOM 480 N GLY A 35 9.263 -1.295 2.895 1.00 0.00 N ATOM 481 CA GLY A 35 7.930 -1.789 2.903 1.00 0.00 C ATOM 482 C GLY A 35 8.214 -3.135 3.437 1.00 0.00 C ATOM 483 O GLY A 35 9.387 -3.463 3.635 1.00 0.00 O ATOM 0 H GLY A 35 9.960 -1.990 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.265 -1.209 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.478 -1.811 1.911 1.00 0.00 H new ATOM 487 N HIS A 36 7.175 -3.939 3.695 1.00 0.00 N ATOM 488 CA HIS A 36 7.321 -5.264 4.200 1.00 0.00 C ATOM 489 C HIS A 36 5.942 -5.744 3.936 1.00 0.00 C ATOM 490 O HIS A 36 5.076 -4.931 3.593 1.00 0.00 O ATOM 491 CB HIS A 36 7.670 -5.388 5.711 1.00 0.00 C ATOM 492 CG HIS A 36 6.893 -4.489 6.639 1.00 0.00 C ATOM 493 ND1 HIS A 36 5.770 -4.736 7.353 1.00 0.00 N flip ATOM 494 CD2 HIS A 36 7.290 -3.213 6.943 1.00 0.00 C flip ATOM 495 CE1 HIS A 36 5.500 -3.610 8.085 1.00 0.00 C flip ATOM 496 NE2 HIS A 36 6.435 -2.707 7.822 1.00 0.00 N flip ATOM 0 H HIS A 36 6.205 -3.661 3.549 1.00 0.00 H new ATOM 0 HA HIS A 36 8.152 -5.806 3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.510 -6.422 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.732 -5.179 5.838 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.152 -2.706 6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.668 -3.480 8.761 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.488 -1.774 8.230 1.00 0.00 H new ATOM 505 N CYS A 37 5.706 -7.061 4.058 1.00 0.00 N ATOM 506 CA CYS A 37 4.393 -7.614 3.879 1.00 0.00 C ATOM 507 C CYS A 37 3.880 -7.820 5.279 1.00 0.00 C ATOM 508 O CYS A 37 4.637 -7.713 6.242 1.00 0.00 O ATOM 509 CB CYS A 37 4.434 -8.900 3.007 1.00 0.00 C ATOM 510 SG CYS A 37 2.836 -9.699 2.699 1.00 0.00 S ATOM 0 H CYS A 37 6.425 -7.749 4.281 1.00 0.00 H new ATOM 0 HA CYS A 37 3.718 -6.963 3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.885 -8.650 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.092 -9.622 3.490 1.00 0.00 H new ATOM 515 N GLY A 38 2.567 -8.061 5.424 1.00 0.00 N ATOM 516 CA GLY A 38 1.878 -8.141 6.669 1.00 0.00 C ATOM 517 C GLY A 38 0.528 -8.466 6.131 1.00 0.00 C ATOM 518 O GLY A 38 0.423 -8.737 4.934 1.00 0.00 O ATOM 0 H GLY A 38 1.952 -8.208 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.273 -8.916 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.900 -7.206 7.229 1.00 0.00 H new ATOM 522 N PHE A 39 -0.528 -8.445 6.966 1.00 0.00 N ATOM 523 CA PHE A 39 -1.859 -8.759 6.537 1.00 0.00 C ATOM 524 C PHE A 39 -2.616 -7.649 7.187 1.00 0.00 C ATOM 525 O PHE A 39 -2.148 -7.106 8.190 1.00 0.00 O ATOM 526 CB PHE A 39 -2.352 -10.137 7.068 1.00 0.00 C ATOM 527 CG PHE A 39 -3.650 -10.562 6.426 1.00 0.00 C ATOM 528 CD1 PHE A 39 -3.676 -10.910 5.067 1.00 0.00 C ATOM 529 CD2 PHE A 39 -4.846 -10.623 7.162 1.00 0.00 C ATOM 530 CE1 PHE A 39 -4.872 -11.284 4.444 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.043 -11.011 6.546 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.058 -11.337 5.187 1.00 0.00 C ATOM 0 H PHE A 39 -0.458 -8.206 7.955 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.964 -8.837 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.590 -10.892 6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.483 -10.083 8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.761 -10.889 4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.842 -10.369 8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.880 -11.531 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.955 -11.058 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.982 -11.629 4.711 1.00 0.00 H new ATOM 542 N LYS A 40 -3.775 -7.288 6.621 1.00 0.00 N ATOM 543 CA LYS A 40 -4.723 -6.364 7.151 1.00 0.00 C ATOM 544 C LYS A 40 -5.894 -7.028 6.510 1.00 0.00 C ATOM 545 O LYS A 40 -5.702 -7.645 5.458 1.00 0.00 O ATOM 546 CB LYS A 40 -4.581 -4.913 6.615 1.00 0.00 C ATOM 547 CG LYS A 40 -5.606 -3.902 7.166 1.00 0.00 C ATOM 548 CD LYS A 40 -5.487 -2.512 6.516 1.00 0.00 C ATOM 549 CE LYS A 40 -6.486 -1.478 7.059 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.887 -1.846 6.741 1.00 0.00 N ATOM 0 H LYS A 40 -4.072 -7.672 5.724 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.696 -6.214 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.579 -4.553 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.666 -4.935 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.612 -4.288 7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.471 -3.806 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.475 -2.137 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.633 -2.612 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.369 -1.392 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.262 -0.499 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.527 -1.099 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.993 -1.953 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.125 -2.744 7.209 1.00 0.00 H new ATOM 564 N VAL A 41 -7.088 -6.959 7.130 1.00 0.00 N ATOM 565 CA VAL A 41 -8.289 -7.539 6.591 1.00 0.00 C ATOM 566 C VAL A 41 -9.012 -6.367 5.965 1.00 0.00 C ATOM 567 O VAL A 41 -8.396 -5.428 5.463 1.00 0.00 O ATOM 568 CB VAL A 41 -9.128 -8.276 7.645 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.836 -9.473 6.969 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.229 -8.754 8.813 1.00 0.00 C ATOM 0 H VAL A 41 -7.225 -6.491 8.026 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.076 -8.323 5.864 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.877 -7.601 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.436 -10.005 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.483 -9.110 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.090 -10.149 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.838 -9.274 9.552 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.465 -9.431 8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.750 -7.893 9.279 1.00 0.00 H new ATOM 580 N GLY A 42 -10.356 -6.378 5.979 1.00 0.00 N ATOM 581 CA GLY A 42 -11.154 -5.243 5.586 1.00 0.00 C ATOM 582 C GLY A 42 -11.515 -5.403 4.152 1.00 0.00 C ATOM 583 O GLY A 42 -12.664 -5.684 3.825 1.00 0.00 O ATOM 0 H GLY A 42 -10.906 -7.187 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.053 -5.180 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.599 -4.317 5.737 1.00 0.00 H new ATOM 587 N HIS A 43 -10.525 -5.234 3.253 1.00 0.00 N ATOM 588 CA HIS A 43 -10.767 -5.356 1.833 1.00 0.00 C ATOM 589 C HIS A 43 -10.327 -6.716 1.378 1.00 0.00 C ATOM 590 O HIS A 43 -11.009 -7.356 0.581 1.00 0.00 O ATOM 591 CB HIS A 43 -10.019 -4.309 0.985 1.00 0.00 C ATOM 592 CG HIS A 43 -10.499 -2.894 1.176 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.878 -1.835 0.572 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.540 -2.395 1.880 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.513 -0.725 0.910 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.532 -1.037 1.699 1.00 0.00 N ATOM 0 H HIS A 43 -9.560 -5.014 3.500 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.835 -5.195 1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.957 -4.355 1.227 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.118 -4.574 -0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.244 -2.960 2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.245 0.273 0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.197 -0.378 2.103 1.00 0.00 H new ATOM 605 N GLY A 44 -9.166 -7.211 1.851 1.00 0.00 N ATOM 606 CA GLY A 44 -8.748 -8.511 1.404 1.00 0.00 C ATOM 607 C GLY A 44 -7.409 -8.802 1.971 1.00 0.00 C ATOM 608 O GLY A 44 -7.251 -9.655 2.836 1.00 0.00 O ATOM 0 H GLY A 44 -8.543 -6.742 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.465 -9.268 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.712 -8.542 0.315 1.00 0.00 H new ATOM 612 N LEU A 45 -6.393 -8.094 1.464 1.00 0.00 N ATOM 613 CA LEU A 45 -5.002 -8.330 1.704 1.00 0.00 C ATOM 614 C LEU A 45 -4.555 -6.946 1.337 1.00 0.00 C ATOM 615 O LEU A 45 -5.355 -6.238 0.726 1.00 0.00 O ATOM 616 CB LEU A 45 -4.486 -9.445 0.747 1.00 0.00 C ATOM 617 CG LEU A 45 -2.967 -9.692 0.615 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.360 -10.298 1.887 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.658 -10.603 -0.592 1.00 0.00 C ATOM 0 H LEU A 45 -6.550 -7.301 0.843 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.676 -8.684 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.943 -10.383 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.868 -9.223 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.509 -8.716 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.291 -10.452 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.519 -9.619 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.839 -11.254 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.582 -10.761 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.158 -11.563 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.016 -10.129 -1.506 1.00 0.00 H new ATOM 631 N ALA A 46 -3.344 -6.493 1.725 1.00 0.00 N ATOM 632 CA ALA A 46 -2.923 -5.130 1.553 1.00 0.00 C ATOM 633 C ALA A 46 -1.447 -5.287 1.659 1.00 0.00 C ATOM 634 O ALA A 46 -1.035 -6.398 1.982 1.00 0.00 O ATOM 635 CB ALA A 46 -3.426 -4.200 2.670 1.00 0.00 C ATOM 0 H ALA A 46 -2.642 -7.086 2.168 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.296 -4.679 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.075 -3.185 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.516 -4.210 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.044 -4.545 3.631 1.00 0.00 H new ATOM 641 N CYS A 47 -0.625 -4.233 1.409 1.00 0.00 N ATOM 642 CA CYS A 47 0.828 -4.388 1.414 1.00 0.00 C ATOM 643 C CYS A 47 1.230 -3.280 2.339 1.00 0.00 C ATOM 644 O CYS A 47 0.357 -2.473 2.632 1.00 0.00 O ATOM 645 CB CYS A 47 1.354 -4.250 -0.051 1.00 0.00 C ATOM 646 SG CYS A 47 3.123 -4.013 -0.400 1.00 0.00 S ATOM 0 H CYS A 47 -0.951 -3.288 1.206 1.00 0.00 H new ATOM 0 HA CYS A 47 1.228 -5.346 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.041 -5.146 -0.587 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.826 -3.409 -0.501 1.00 0.00 H new ATOM 651 N TRP A 48 2.487 -3.175 2.857 1.00 0.00 N ATOM 652 CA TRP A 48 2.885 -2.049 3.688 1.00 0.00 C ATOM 653 C TRP A 48 3.963 -1.373 2.904 1.00 0.00 C ATOM 654 O TRP A 48 4.741 -2.051 2.231 1.00 0.00 O ATOM 655 CB TRP A 48 3.406 -2.448 5.109 1.00 0.00 C ATOM 656 CG TRP A 48 3.858 -1.323 6.043 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.053 -0.654 6.053 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.097 -0.787 7.145 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.078 0.277 7.065 1.00 0.00 N ATOM 660 CE2 TRP A 48 3.884 0.225 7.739 1.00 0.00 C ATOM 661 CE3 TRP A 48 1.838 -1.099 7.645 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.416 0.954 8.826 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.365 -0.362 8.743 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.140 0.655 9.320 1.00 0.00 C ATOM 0 H TRP A 48 3.224 -3.863 2.703 1.00 0.00 H new ATOM 0 HA TRP A 48 2.024 -1.413 3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.615 -3.004 5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.244 -3.133 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.863 -0.833 5.362 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.855 0.902 7.279 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.242 -1.884 7.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.019 1.729 9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.389 -0.582 9.150 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.748 1.215 10.156 1.00 0.00 H new ATOM 675 N CYS A 49 4.040 -0.022 2.983 1.00 0.00 N ATOM 676 CA CYS A 49 5.140 0.727 2.436 1.00 0.00 C ATOM 677 C CYS A 49 5.449 1.659 3.554 1.00 0.00 C ATOM 678 O CYS A 49 4.536 2.082 4.265 1.00 0.00 O ATOM 679 CB CYS A 49 4.829 1.570 1.185 1.00 0.00 C ATOM 680 SG CYS A 49 4.786 0.542 -0.301 1.00 0.00 S ATOM 0 H CYS A 49 3.329 0.556 3.432 1.00 0.00 H new ATOM 0 HA CYS A 49 5.927 0.050 2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.870 2.072 1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.584 2.348 1.071 1.00 0.00 H new ATOM 685 N ASN A 50 6.746 1.958 3.754 1.00 0.00 N ATOM 686 CA ASN A 50 7.210 2.714 4.877 1.00 0.00 C ATOM 687 C ASN A 50 8.015 3.797 4.238 1.00 0.00 C ATOM 688 O ASN A 50 8.956 3.476 3.510 1.00 0.00 O ATOM 689 CB ASN A 50 8.132 1.861 5.785 1.00 0.00 C ATOM 690 CG ASN A 50 8.041 2.337 7.233 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.064 1.973 7.900 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.045 3.118 7.719 1.00 0.00 N ATOM 0 H ASN A 50 7.490 1.667 3.120 1.00 0.00 H new ATOM 0 HA ASN A 50 6.395 3.069 5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.845 0.811 5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.162 1.931 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.019 3.438 8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.823 3.383 7.115 1.00 0.00 H new ATOM 699 N ALA A 51 7.638 5.069 4.498 1.00 0.00 N ATOM 700 CA ALA A 51 8.209 6.287 3.978 1.00 0.00 C ATOM 701 C ALA A 51 7.639 6.522 2.616 1.00 0.00 C ATOM 702 O ALA A 51 8.346 6.472 1.614 1.00 0.00 O ATOM 703 CB ALA A 51 9.747 6.389 3.968 1.00 0.00 C ATOM 0 H ALA A 51 6.862 5.263 5.131 1.00 0.00 H new ATOM 0 HA ALA A 51 7.930 7.072 4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.045 7.352 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.124 6.300 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.161 5.587 3.357 1.00 0.00 H new ATOM 709 N LEU A 52 6.316 6.784 2.577 1.00 0.00 N ATOM 710 CA LEU A 52 5.600 7.131 1.373 1.00 0.00 C ATOM 711 C LEU A 52 5.440 8.627 1.359 1.00 0.00 C ATOM 712 O LEU A 52 5.086 9.163 2.410 1.00 0.00 O ATOM 713 CB LEU A 52 4.214 6.430 1.277 1.00 0.00 C ATOM 714 CG LEU A 52 3.856 5.745 -0.065 1.00 0.00 C ATOM 715 CD1 LEU A 52 4.964 4.911 -0.716 1.00 0.00 C ATOM 716 CD2 LEU A 52 2.557 4.927 0.063 1.00 0.00 C ATOM 0 H LEU A 52 5.722 6.755 3.406 1.00 0.00 H new ATOM 0 HA LEU A 52 6.167 6.787 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.161 5.678 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.445 7.172 1.493 1.00 0.00 H new ATOM 0 HG LEU A 52 3.710 6.577 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.596 4.482 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.824 5.548 -0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.261 4.109 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.328 4.456 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.685 4.158 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.738 5.587 0.348 1.00 0.00 H new ATOM 728 N PRO A 53 5.658 9.359 0.268 1.00 0.00 N ATOM 729 CA PRO A 53 5.431 10.793 0.234 1.00 0.00 C ATOM 730 C PRO A 53 3.973 11.152 0.343 1.00 0.00 C ATOM 731 O PRO A 53 3.114 10.292 0.156 1.00 0.00 O ATOM 732 CB PRO A 53 5.973 11.221 -1.136 1.00 0.00 C ATOM 733 CG PRO A 53 7.078 10.208 -1.436 1.00 0.00 C ATOM 734 CD PRO A 53 6.492 8.922 -0.858 1.00 0.00 C ATOM 0 HA PRO A 53 5.915 11.289 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.194 11.197 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.362 12.239 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.275 10.123 -2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.020 10.478 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.902 8.387 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.278 8.243 -0.527 1.00 0.00 H new ATOM 742 N ASP A 54 3.683 12.436 0.613 1.00 0.00 N ATOM 743 CA ASP A 54 2.351 12.932 0.869 1.00 0.00 C ATOM 744 C ASP A 54 1.484 12.920 -0.365 1.00 0.00 C ATOM 745 O ASP A 54 0.270 13.066 -0.270 1.00 0.00 O ATOM 746 CB ASP A 54 2.370 14.384 1.400 1.00 0.00 C ATOM 747 CG ASP A 54 2.986 14.440 2.801 1.00 0.00 C ATOM 748 OD1 ASP A 54 4.218 14.204 2.928 1.00 0.00 O ATOM 749 OD2 ASP A 54 2.227 14.722 3.767 1.00 0.00 O ATOM 0 H ASP A 54 4.397 13.163 0.657 1.00 0.00 H new ATOM 0 HA ASP A 54 1.938 12.257 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.941 15.017 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.355 14.780 1.428 1.00 0.00 H new ATOM 754 N ASN A 55 2.090 12.747 -1.560 1.00 0.00 N ATOM 755 CA ASN A 55 1.386 12.724 -2.826 1.00 0.00 C ATOM 756 C ASN A 55 0.989 11.320 -3.197 1.00 0.00 C ATOM 757 O ASN A 55 0.485 11.099 -4.298 1.00 0.00 O ATOM 758 CB ASN A 55 2.218 13.313 -4.002 1.00 0.00 C ATOM 759 CG ASN A 55 3.594 12.636 -4.125 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.476 12.940 -3.313 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.766 11.718 -5.116 1.00 0.00 N ATOM 0 H ASN A 55 3.097 12.619 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 55 0.506 13.350 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.667 13.189 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.352 14.384 -3.851 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.661 11.239 -5.218 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.000 11.509 -5.756 1.00 0.00 H new ATOM 768 N VAL A 56 1.215 10.334 -2.306 1.00 0.00 N ATOM 769 CA VAL A 56 0.808 8.969 -2.526 1.00 0.00 C ATOM 770 C VAL A 56 -0.335 8.812 -1.554 1.00 0.00 C ATOM 771 O VAL A 56 -0.732 9.792 -0.928 1.00 0.00 O ATOM 772 CB VAL A 56 1.947 7.972 -2.332 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.710 6.709 -3.189 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.282 8.643 -2.738 1.00 0.00 C ATOM 0 H VAL A 56 1.689 10.483 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 56 0.507 8.758 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 56 1.989 7.674 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.531 6.008 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.773 6.238 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.659 6.988 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.101 7.936 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.234 8.945 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.453 9.520 -2.114 1.00 0.00 H new ATOM 784 N GLY A 57 -0.926 7.612 -1.390 1.00 0.00 N ATOM 785 CA GLY A 57 -2.134 7.470 -0.631 1.00 0.00 C ATOM 786 C GLY A 57 -2.080 6.043 -0.236 1.00 0.00 C ATOM 787 O GLY A 57 -1.221 5.313 -0.734 1.00 0.00 O ATOM 0 H GLY A 57 -0.568 6.741 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.153 8.133 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.019 7.696 -1.226 1.00 0.00 H new ATOM 791 N ILE A 58 -2.964 5.618 0.683 1.00 0.00 N ATOM 792 CA ILE A 58 -2.801 4.402 1.418 1.00 0.00 C ATOM 793 C ILE A 58 -4.210 4.078 1.784 1.00 0.00 C ATOM 794 O ILE A 58 -5.119 4.700 1.233 1.00 0.00 O ATOM 795 CB ILE A 58 -1.933 4.544 2.667 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.327 5.762 3.527 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.441 4.589 2.265 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.571 5.765 4.853 1.00 0.00 C ATOM 0 H ILE A 58 -3.813 6.131 0.921 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.284 3.637 0.839 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.104 3.669 3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.114 6.681 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.400 5.746 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.174 4.690 3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.176 3.668 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.267 5.440 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.868 6.635 5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.805 4.856 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.499 5.806 4.661 1.00 0.00 H new ATOM 810 N ILE A 59 -4.430 3.090 2.696 1.00 0.00 N ATOM 811 CA ILE A 59 -5.756 2.674 3.099 1.00 0.00 C ATOM 812 C ILE A 59 -6.306 3.794 3.920 1.00 0.00 C ATOM 813 O ILE A 59 -5.636 4.289 4.824 1.00 0.00 O ATOM 814 CB ILE A 59 -5.874 1.417 3.974 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.720 0.405 3.836 1.00 0.00 C ATOM 816 CG2 ILE A 59 -7.255 0.770 3.717 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.478 -0.155 2.442 1.00 0.00 C ATOM 0 H ILE A 59 -3.679 2.576 3.157 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.276 2.432 2.172 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.789 1.740 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.802 0.884 4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.913 -0.429 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.357 -0.125 4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.042 1.478 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.340 0.500 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.643 -0.855 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.373 -0.673 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.245 0.661 1.758 1.00 0.00 H new ATOM 829 N VAL A 60 -7.533 4.219 3.621 1.00 0.00 N ATOM 830 CA VAL A 60 -8.204 5.225 4.379 1.00 0.00 C ATOM 831 C VAL A 60 -9.305 4.424 5.016 1.00 0.00 C ATOM 832 O VAL A 60 -10.200 3.923 4.329 1.00 0.00 O ATOM 833 CB VAL A 60 -8.652 6.361 3.477 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.595 7.317 4.218 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.386 7.076 2.948 1.00 0.00 C ATOM 0 H VAL A 60 -8.077 3.860 2.836 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.609 5.748 5.128 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.224 5.974 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.899 8.120 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.477 6.771 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.080 7.740 5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.679 7.899 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.811 7.466 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.776 6.368 2.388 1.00 0.00 H new