USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 501 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 Single : A 51 ASN : amide:sc= 0.0427 X(o=0.043,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 86:sc= 0.965 USER MOD Single : A 58 SER OG : rot 91:sc= 0.343 USER MOD Single : A 63 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0044) USER MOD Single : A 73 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.2) USER MOD Single : A 74 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.058) USER MOD Single : A 77 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.42) USER MOD Single : A 78 ASN : amide:sc= -0.384 K(o=-0.38,f=-5.6!) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.091) USER MOD Single : A 82 ASN : amide:sc= -0.199 K(o=-0.2,f=-4.7!) USER MOD Single : A 85 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.75) USER MOD Single : A 87 ASN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.623 X(o=-0.62,f=-0.75) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 165:sc= -0.207 USER MOD Single : A 96 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.032) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.13) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 144:sc= 0.873 (180deg=-0.681) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 47 -3.023 14.005 -3.563 1.00 0.00 N ATOM 2 CA GLY A 47 -1.569 13.792 -3.562 1.00 0.00 C ATOM 3 C GLY A 47 -1.159 12.451 -4.138 1.00 0.00 C ATOM 4 O GLY A 47 -1.893 11.465 -4.038 1.00 0.00 O ATOM 0 HA2 GLY A 47 -1.092 14.587 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.198 13.869 -2.540 1.00 0.00 H new ATOM 8 N GLU A 48 0.044 12.407 -4.717 1.00 0.00 N ATOM 9 CA GLU A 48 0.644 11.228 -5.340 1.00 0.00 C ATOM 10 C GLU A 48 0.811 10.105 -4.336 1.00 0.00 C ATOM 11 O GLU A 48 0.339 9.001 -4.579 1.00 0.00 O ATOM 12 CB GLU A 48 2.017 11.603 -5.896 1.00 0.00 C ATOM 13 CG GLU A 48 2.850 10.413 -6.391 1.00 0.00 C ATOM 14 CD GLU A 48 2.445 9.966 -7.798 1.00 0.00 C ATOM 15 OE1 GLU A 48 2.594 10.746 -8.768 1.00 0.00 O ATOM 16 OE2 GLU A 48 2.040 8.790 -7.963 1.00 0.00 O ATOM 0 H GLU A 48 0.650 13.226 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.015 10.886 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.882 12.304 -6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.578 12.126 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.906 10.685 -6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.734 9.578 -5.700 1.00 0.00 H new ATOM 23 N VAL A 49 1.482 10.385 -3.219 1.00 0.00 N ATOM 24 CA VAL A 49 1.723 9.406 -2.172 1.00 0.00 C ATOM 25 C VAL A 49 0.401 8.748 -1.775 1.00 0.00 C ATOM 26 O VAL A 49 0.318 7.528 -1.725 1.00 0.00 O ATOM 27 CB VAL A 49 2.539 10.021 -1.029 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.965 11.350 -0.539 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.734 9.022 0.112 1.00 0.00 C ATOM 0 H VAL A 49 1.874 11.305 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 49 2.352 8.592 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 49 3.524 10.254 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.584 11.737 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.952 12.066 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.949 11.196 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.316 9.487 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.762 8.721 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.263 8.144 -0.259 1.00 0.00 H new ATOM 39 N ARG A 50 -0.658 9.525 -1.540 1.00 0.00 N ATOM 40 CA ARG A 50 -1.946 8.931 -1.190 1.00 0.00 C ATOM 41 C ARG A 50 -2.462 8.049 -2.333 1.00 0.00 C ATOM 42 O ARG A 50 -2.995 6.978 -2.054 1.00 0.00 O ATOM 43 CB ARG A 50 -2.979 9.992 -0.815 1.00 0.00 C ATOM 44 CG ARG A 50 -2.752 10.521 0.610 1.00 0.00 C ATOM 45 CD ARG A 50 -4.013 11.255 1.060 1.00 0.00 C ATOM 46 NE ARG A 50 -4.060 11.485 2.513 1.00 0.00 N ATOM 47 CZ ARG A 50 -5.131 11.286 3.289 1.00 0.00 C ATOM 48 NH1 ARG A 50 -6.316 10.974 2.770 1.00 0.00 N ATOM 49 NH2 ARG A 50 -4.999 11.407 4.601 1.00 0.00 N ATOM 0 H ARG A 50 -0.650 10.544 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.790 8.306 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.927 10.819 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.981 9.569 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.530 9.698 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.894 11.193 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.072 12.214 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.888 10.678 0.761 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.209 11.823 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.422 10.882 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.118 10.827 3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.093 11.648 5.002 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.804 11.259 5.210 1.00 0.00 H new ATOM 63 N ASN A 51 -2.286 8.470 -3.593 1.00 0.00 N ATOM 64 CA ASN A 51 -2.741 7.697 -4.749 1.00 0.00 C ATOM 65 C ASN A 51 -2.051 6.337 -4.799 1.00 0.00 C ATOM 66 O ASN A 51 -2.735 5.316 -4.851 1.00 0.00 O ATOM 67 CB ASN A 51 -2.498 8.423 -6.085 1.00 0.00 C ATOM 68 CG ASN A 51 -3.740 9.088 -6.633 1.00 0.00 C ATOM 69 OD1 ASN A 51 -4.361 8.597 -7.571 1.00 0.00 O ATOM 70 ND2 ASN A 51 -4.116 10.236 -6.100 1.00 0.00 N ATOM 0 H ASN A 51 -1.828 9.349 -3.835 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.816 7.570 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.721 9.175 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.123 7.708 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.932 10.726 -6.467 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.591 10.633 -5.321 1.00 0.00 H new ATOM 77 N ILE A 52 -0.713 6.319 -4.782 1.00 0.00 N ATOM 78 CA ILE A 52 0.074 5.090 -4.842 1.00 0.00 C ATOM 79 C ILE A 52 -0.205 4.211 -3.628 1.00 0.00 C ATOM 80 O ILE A 52 -0.234 2.993 -3.772 1.00 0.00 O ATOM 81 CB ILE A 52 1.585 5.383 -5.004 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.377 4.110 -5.322 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.208 5.997 -3.754 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.598 4.427 -6.182 1.00 0.00 C ATOM 0 H ILE A 52 -0.146 7.165 -4.726 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.235 4.539 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 52 1.644 6.094 -5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.695 3.634 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.736 3.399 -5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.268 6.180 -3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.710 6.939 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.091 5.311 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.143 3.507 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.275 4.881 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.249 5.120 -5.648 1.00 0.00 H new ATOM 96 N VAL A 53 -0.413 4.810 -2.452 1.00 0.00 N ATOM 97 CA VAL A 53 -0.694 4.107 -1.216 1.00 0.00 C ATOM 98 C VAL A 53 -1.976 3.316 -1.423 1.00 0.00 C ATOM 99 O VAL A 53 -1.957 2.098 -1.287 1.00 0.00 O ATOM 100 CB VAL A 53 -0.760 5.116 -0.044 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.592 4.622 1.143 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.641 5.508 0.450 1.00 0.00 C ATOM 0 H VAL A 53 -0.388 5.824 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 53 0.095 3.403 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.261 5.992 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.594 5.380 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.615 4.434 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.160 3.700 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.551 6.217 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.168 4.618 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.199 5.967 -0.366 1.00 0.00 H new ATOM 112 N ASP A 54 -3.067 4.002 -1.749 1.00 0.00 N ATOM 113 CA ASP A 54 -4.378 3.415 -1.985 1.00 0.00 C ATOM 114 C ASP A 54 -4.327 2.339 -3.078 1.00 0.00 C ATOM 115 O ASP A 54 -4.770 1.212 -2.851 1.00 0.00 O ATOM 116 CB ASP A 54 -5.333 4.565 -2.320 1.00 0.00 C ATOM 117 CG ASP A 54 -6.633 4.100 -2.963 1.00 0.00 C ATOM 118 OD1 ASP A 54 -6.622 3.894 -4.194 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.638 4.002 -2.225 1.00 0.00 O ATOM 0 H ASP A 54 -3.061 5.016 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.736 2.893 -1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.563 5.114 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.831 5.261 -2.993 1.00 0.00 H new ATOM 124 N LYS A 55 -3.715 2.637 -4.227 1.00 0.00 N ATOM 125 CA LYS A 55 -3.624 1.697 -5.340 1.00 0.00 C ATOM 126 C LYS A 55 -2.839 0.458 -4.946 1.00 0.00 C ATOM 127 O LYS A 55 -3.291 -0.656 -5.226 1.00 0.00 O ATOM 128 CB LYS A 55 -3.053 2.412 -6.566 1.00 0.00 C ATOM 129 CG LYS A 55 -4.175 3.241 -7.211 1.00 0.00 C ATOM 130 CD LYS A 55 -3.707 4.179 -8.337 1.00 0.00 C ATOM 131 CE LYS A 55 -3.189 3.465 -9.593 1.00 0.00 C ATOM 132 NZ LYS A 55 -4.257 2.853 -10.414 1.00 0.00 N ATOM 0 H LYS A 55 -3.270 3.537 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.620 1.342 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.223 3.057 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.660 1.687 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.928 2.562 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.661 3.836 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.537 4.827 -8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.917 4.823 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.637 4.179 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.484 2.690 -9.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.835 2.390 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.770 2.148 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.919 3.591 -10.729 1.00 0.00 H new ATOM 146 N THR A 56 -1.685 0.633 -4.305 1.00 0.00 N ATOM 147 CA THR A 56 -0.887 -0.498 -3.862 1.00 0.00 C ATOM 148 C THR A 56 -1.649 -1.300 -2.803 1.00 0.00 C ATOM 149 O THR A 56 -1.652 -2.533 -2.860 1.00 0.00 O ATOM 150 CB THR A 56 0.455 0.025 -3.333 1.00 0.00 C ATOM 151 OG1 THR A 56 1.095 0.673 -4.411 1.00 0.00 O ATOM 152 CG2 THR A 56 1.359 -1.085 -2.781 1.00 0.00 C ATOM 0 H THR A 56 -1.287 1.545 -4.084 1.00 0.00 H new ATOM 0 HA THR A 56 -0.691 -1.175 -4.694 1.00 0.00 H new ATOM 0 HB THR A 56 0.268 0.700 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.787 1.602 -4.464 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.292 -0.650 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.854 -1.589 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.574 -1.805 -3.570 1.00 0.00 H new ATOM 160 N ALA A 57 -2.312 -0.609 -1.867 1.00 0.00 N ATOM 161 CA ALA A 57 -3.061 -1.233 -0.787 1.00 0.00 C ATOM 162 C ALA A 57 -4.161 -2.124 -1.335 1.00 0.00 C ATOM 163 O ALA A 57 -4.366 -3.188 -0.768 1.00 0.00 O ATOM 164 CB ALA A 57 -3.635 -0.188 0.164 1.00 0.00 C ATOM 0 H ALA A 57 -2.339 0.410 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.369 -1.856 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.189 -0.686 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.822 0.395 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.304 0.475 -0.385 1.00 0.00 H new ATOM 170 N SER A 58 -4.812 -1.729 -2.433 1.00 0.00 N ATOM 171 CA SER A 58 -5.863 -2.488 -3.085 1.00 0.00 C ATOM 172 C SER A 58 -5.335 -3.886 -3.382 1.00 0.00 C ATOM 173 O SER A 58 -5.814 -4.860 -2.825 1.00 0.00 O ATOM 174 CB SER A 58 -6.295 -1.782 -4.378 1.00 0.00 C ATOM 175 OG SER A 58 -7.323 -2.494 -5.042 1.00 0.00 O ATOM 0 H SER A 58 -4.610 -0.845 -2.900 1.00 0.00 H new ATOM 0 HA SER A 58 -6.735 -2.560 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.641 -0.775 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.436 -1.679 -5.041 1.00 0.00 H new ATOM 0 HG SER A 58 -8.196 -2.176 -4.729 1.00 0.00 H new ATOM 181 N PHE A 59 -4.298 -4.007 -4.204 1.00 0.00 N ATOM 182 CA PHE A 59 -3.718 -5.286 -4.584 1.00 0.00 C ATOM 183 C PHE A 59 -3.361 -6.141 -3.373 1.00 0.00 C ATOM 184 O PHE A 59 -3.774 -7.299 -3.307 1.00 0.00 O ATOM 185 CB PHE A 59 -2.489 -4.991 -5.448 1.00 0.00 C ATOM 186 CG PHE A 59 -2.162 -5.950 -6.576 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.098 -6.192 -7.596 1.00 0.00 C ATOM 188 CD2 PHE A 59 -0.883 -6.532 -6.662 1.00 0.00 C ATOM 189 CE1 PHE A 59 -2.772 -7.043 -8.667 1.00 0.00 C ATOM 190 CE2 PHE A 59 -0.560 -7.391 -7.727 1.00 0.00 C ATOM 191 CZ PHE A 59 -1.510 -7.652 -8.728 1.00 0.00 C ATOM 0 H PHE A 59 -3.831 -3.206 -4.630 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.447 -5.870 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.616 -3.999 -5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.622 -4.943 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.070 -5.723 -7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.144 -6.317 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.497 -7.228 -9.446 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.417 -7.849 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.270 -8.320 -9.542 1.00 0.00 H new ATOM 201 N VAL A 60 -2.634 -5.573 -2.411 1.00 0.00 N ATOM 202 CA VAL A 60 -2.225 -6.288 -1.211 1.00 0.00 C ATOM 203 C VAL A 60 -3.461 -6.732 -0.419 1.00 0.00 C ATOM 204 O VAL A 60 -3.473 -7.811 0.164 1.00 0.00 O ATOM 205 CB VAL A 60 -1.269 -5.390 -0.407 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.844 -6.020 0.919 1.00 0.00 C ATOM 207 CG2 VAL A 60 0.005 -5.120 -1.225 1.00 0.00 C ATOM 0 H VAL A 60 -2.314 -4.605 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.684 -7.201 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.813 -4.469 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.170 -5.343 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.725 -6.204 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.333 -6.963 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.678 -4.484 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.501 -6.065 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.260 -4.620 -2.157 1.00 0.00 H new ATOM 217 N ALA A 61 -4.510 -5.917 -0.374 1.00 0.00 N ATOM 218 CA ALA A 61 -5.742 -6.228 0.315 1.00 0.00 C ATOM 219 C ALA A 61 -6.422 -7.383 -0.412 1.00 0.00 C ATOM 220 O ALA A 61 -6.896 -8.312 0.244 1.00 0.00 O ATOM 221 CB ALA A 61 -6.633 -4.975 0.333 1.00 0.00 C ATOM 0 H ALA A 61 -4.520 -5.004 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.552 -6.526 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.566 -5.199 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.115 -4.168 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.851 -4.669 -0.690 1.00 0.00 H new ATOM 227 N ARG A 62 -6.440 -7.337 -1.748 1.00 0.00 N ATOM 228 CA ARG A 62 -7.065 -8.341 -2.591 1.00 0.00 C ATOM 229 C ARG A 62 -6.405 -9.705 -2.462 1.00 0.00 C ATOM 230 O ARG A 62 -7.093 -10.687 -2.196 1.00 0.00 O ATOM 231 CB ARG A 62 -7.079 -7.857 -4.057 1.00 0.00 C ATOM 232 CG ARG A 62 -8.073 -6.704 -4.207 1.00 0.00 C ATOM 233 CD ARG A 62 -8.356 -6.290 -5.652 1.00 0.00 C ATOM 234 NE ARG A 62 -9.323 -5.174 -5.709 1.00 0.00 N ATOM 235 CZ ARG A 62 -10.638 -5.271 -5.460 1.00 0.00 C ATOM 236 NH1 ARG A 62 -11.165 -6.451 -5.135 1.00 0.00 N ATOM 237 NH2 ARG A 62 -11.433 -4.210 -5.541 1.00 0.00 N ATOM 0 H ARG A 62 -6.008 -6.580 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.092 -8.471 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.082 -7.531 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.356 -8.678 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.013 -6.988 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.691 -5.840 -3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.426 -5.994 -6.137 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.747 -7.142 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.961 -4.254 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.569 -7.277 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.164 -6.528 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.046 -3.301 -5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.430 -4.304 -5.348 1.00 0.00 H new ATOM 251 N ASN A 63 -5.095 -9.762 -2.674 1.00 0.00 N ATOM 252 CA ASN A 63 -4.315 -10.998 -2.633 1.00 0.00 C ATOM 253 C ASN A 63 -3.972 -11.469 -1.222 1.00 0.00 C ATOM 254 O ASN A 63 -4.081 -12.662 -0.940 1.00 0.00 O ATOM 255 CB ASN A 63 -3.002 -10.822 -3.406 1.00 0.00 C ATOM 256 CG ASN A 63 -3.214 -10.559 -4.890 1.00 0.00 C ATOM 257 OD1 ASN A 63 -3.205 -11.475 -5.701 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.439 -9.314 -5.272 1.00 0.00 N ATOM 0 H ASN A 63 -4.533 -8.937 -2.883 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.952 -11.756 -3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.440 -9.994 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.393 -11.718 -3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.609 -9.105 -6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.443 -8.562 -4.583 1.00 0.00 H new ATOM 265 N GLY A 64 -3.543 -10.566 -0.342 1.00 0.00 N ATOM 266 CA GLY A 64 -3.165 -10.857 1.034 1.00 0.00 C ATOM 267 C GLY A 64 -1.885 -10.109 1.425 1.00 0.00 C ATOM 268 O GLY A 64 -1.144 -9.643 0.552 1.00 0.00 O ATOM 0 H GLY A 64 -3.447 -9.578 -0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.976 -10.572 1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.014 -11.930 1.154 1.00 0.00 H new ATOM 272 N PRO A 65 -1.575 -10.017 2.733 1.00 0.00 N ATOM 273 CA PRO A 65 -0.391 -9.321 3.234 1.00 0.00 C ATOM 274 C PRO A 65 0.925 -9.938 2.760 1.00 0.00 C ATOM 275 O PRO A 65 1.957 -9.281 2.878 1.00 0.00 O ATOM 276 CB PRO A 65 -0.513 -9.287 4.757 1.00 0.00 C ATOM 277 CG PRO A 65 -1.459 -10.442 5.063 1.00 0.00 C ATOM 278 CD PRO A 65 -2.362 -10.537 3.836 1.00 0.00 C ATOM 0 HA PRO A 65 -0.357 -8.310 2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.455 -9.422 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.914 -8.336 5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.911 -11.370 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -2.038 -10.252 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.664 -11.568 3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.274 -9.957 3.975 1.00 0.00 H new ATOM 286 N GLU A 66 0.919 -11.145 2.186 1.00 0.00 N ATOM 287 CA GLU A 66 2.143 -11.763 1.682 1.00 0.00 C ATOM 288 C GLU A 66 2.777 -10.858 0.617 1.00 0.00 C ATOM 289 O GLU A 66 4.001 -10.798 0.474 1.00 0.00 O ATOM 290 CB GLU A 66 1.863 -13.179 1.155 1.00 0.00 C ATOM 291 CG GLU A 66 1.066 -13.340 -0.154 1.00 0.00 C ATOM 292 CD GLU A 66 1.936 -13.776 -1.347 1.00 0.00 C ATOM 293 OE1 GLU A 66 2.820 -14.656 -1.216 1.00 0.00 O ATOM 294 OE2 GLU A 66 1.732 -13.279 -2.469 1.00 0.00 O ATOM 0 H GLU A 66 0.080 -11.711 2.060 1.00 0.00 H new ATOM 0 HA GLU A 66 2.858 -11.871 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.823 -13.677 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.329 -13.722 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.276 -14.075 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.580 -12.394 -0.394 1.00 0.00 H new ATOM 301 N PHE A 67 1.935 -10.118 -0.111 1.00 0.00 N ATOM 302 CA PHE A 67 2.380 -9.205 -1.139 1.00 0.00 C ATOM 303 C PHE A 67 2.980 -7.947 -0.547 1.00 0.00 C ATOM 304 O PHE A 67 3.790 -7.310 -1.208 1.00 0.00 O ATOM 305 CB PHE A 67 1.230 -8.801 -2.040 1.00 0.00 C ATOM 306 CG PHE A 67 1.133 -9.644 -3.274 1.00 0.00 C ATOM 307 CD1 PHE A 67 0.325 -10.788 -3.272 1.00 0.00 C ATOM 308 CD2 PHE A 67 1.771 -9.209 -4.451 1.00 0.00 C ATOM 309 CE1 PHE A 67 0.075 -11.440 -4.490 1.00 0.00 C ATOM 310 CE2 PHE A 67 1.539 -9.881 -5.660 1.00 0.00 C ATOM 311 CZ PHE A 67 0.664 -10.978 -5.679 1.00 0.00 C ATOM 0 H PHE A 67 0.922 -10.144 0.006 1.00 0.00 H new ATOM 0 HA PHE A 67 3.140 -9.733 -1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.296 -8.873 -1.483 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.350 -7.757 -2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.098 -11.162 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.438 -8.360 -4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.574 -12.303 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.029 -9.558 -6.567 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.442 -11.471 -6.614 1.00 0.00 H new ATOM 321 N GLU A 68 2.555 -7.539 0.648 1.00 0.00 N ATOM 322 CA GLU A 68 3.085 -6.349 1.290 1.00 0.00 C ATOM 323 C GLU A 68 4.590 -6.543 1.454 1.00 0.00 C ATOM 324 O GLU A 68 5.356 -5.624 1.183 1.00 0.00 O ATOM 325 CB GLU A 68 2.417 -6.178 2.662 1.00 0.00 C ATOM 326 CG GLU A 68 2.759 -4.878 3.408 1.00 0.00 C ATOM 327 CD GLU A 68 2.180 -4.877 4.834 1.00 0.00 C ATOM 328 OE1 GLU A 68 1.890 -5.966 5.391 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.089 -3.788 5.447 1.00 0.00 O ATOM 0 H GLU A 68 1.839 -8.023 1.190 1.00 0.00 H new ATOM 0 HA GLU A 68 2.887 -5.458 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.336 -6.226 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.699 -7.022 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.841 -4.757 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.366 -4.025 2.854 1.00 0.00 H new ATOM 336 N ALA A 69 4.992 -7.737 1.905 1.00 0.00 N ATOM 337 CA ALA A 69 6.386 -8.077 2.118 1.00 0.00 C ATOM 338 C ALA A 69 7.114 -8.225 0.781 1.00 0.00 C ATOM 339 O ALA A 69 8.228 -7.720 0.641 1.00 0.00 O ATOM 340 CB ALA A 69 6.467 -9.367 2.931 1.00 0.00 C ATOM 0 H ALA A 69 4.347 -8.494 2.131 1.00 0.00 H new ATOM 0 HA ALA A 69 6.875 -7.276 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.512 -9.629 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.974 -9.223 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.973 -10.172 2.387 1.00 0.00 H new ATOM 346 N ARG A 70 6.493 -8.906 -0.196 1.00 0.00 N ATOM 347 CA ARG A 70 7.074 -9.108 -1.522 1.00 0.00 C ATOM 348 C ARG A 70 7.397 -7.761 -2.151 1.00 0.00 C ATOM 349 O ARG A 70 8.554 -7.484 -2.449 1.00 0.00 O ATOM 350 CB ARG A 70 6.097 -9.861 -2.429 1.00 0.00 C ATOM 351 CG ARG A 70 6.150 -11.387 -2.293 1.00 0.00 C ATOM 352 CD ARG A 70 4.821 -11.942 -2.823 1.00 0.00 C ATOM 353 NE ARG A 70 4.807 -13.404 -3.014 1.00 0.00 N ATOM 354 CZ ARG A 70 5.386 -14.071 -4.021 1.00 0.00 C ATOM 355 NH1 ARG A 70 6.143 -13.443 -4.913 1.00 0.00 N ATOM 356 NH2 ARG A 70 5.207 -15.375 -4.162 1.00 0.00 N ATOM 0 H ARG A 70 5.572 -9.330 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 70 7.985 -9.696 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.084 -9.524 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.304 -9.594 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.988 -11.794 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.298 -11.675 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.025 -11.670 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.593 -11.461 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 70 4.311 -13.958 -2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.291 -12.437 -4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.576 -13.967 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.622 -15.884 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.654 -15.871 -4.933 1.00 0.00 H new ATOM 370 N ILE A 71 6.370 -6.936 -2.351 1.00 0.00 N ATOM 371 CA ILE A 71 6.481 -5.624 -2.968 1.00 0.00 C ATOM 372 C ILE A 71 7.485 -4.768 -2.200 1.00 0.00 C ATOM 373 O ILE A 71 8.373 -4.193 -2.831 1.00 0.00 O ATOM 374 CB ILE A 71 5.086 -4.970 -3.081 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.108 -5.789 -3.958 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.228 -3.564 -3.678 1.00 0.00 C ATOM 377 CD1 ILE A 71 2.646 -5.386 -3.716 1.00 0.00 C ATOM 0 H ILE A 71 5.415 -7.172 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 71 6.864 -5.721 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 71 4.671 -4.929 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.355 -5.644 -5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.232 -6.851 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.244 -3.102 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.863 -2.957 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.678 -3.633 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.994 -5.985 -4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.390 -5.556 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.515 -4.330 -3.954 1.00 0.00 H new ATOM 389 N ARG A 72 7.369 -4.687 -0.867 1.00 0.00 N ATOM 390 CA ARG A 72 8.289 -3.881 -0.076 1.00 0.00 C ATOM 391 C ARG A 72 9.720 -4.293 -0.342 1.00 0.00 C ATOM 392 O ARG A 72 10.552 -3.433 -0.598 1.00 0.00 O ATOM 393 CB ARG A 72 7.970 -3.971 1.421 1.00 0.00 C ATOM 394 CG ARG A 72 8.711 -2.878 2.191 1.00 0.00 C ATOM 395 CD ARG A 72 8.238 -2.835 3.642 1.00 0.00 C ATOM 396 NE ARG A 72 9.071 -3.666 4.513 1.00 0.00 N ATOM 397 CZ ARG A 72 8.803 -3.924 5.793 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.720 -3.399 6.368 1.00 0.00 N ATOM 399 NH2 ARG A 72 9.622 -4.710 6.482 1.00 0.00 N ATOM 0 H ARG A 72 6.651 -5.168 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 72 8.164 -2.841 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.896 -3.870 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.257 -4.951 1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.784 -3.064 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.540 -1.911 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.255 -1.805 3.999 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.204 -3.175 3.697 1.00 0.00 H new ATOM 0 HE ARG A 72 9.915 -4.076 4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.096 -2.799 5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.516 -3.597 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.445 -5.109 6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.428 -4.915 7.462 1.00 0.00 H new ATOM 413 N GLN A 73 10.007 -5.590 -0.278 1.00 0.00 N ATOM 414 CA GLN A 73 11.346 -6.082 -0.502 1.00 0.00 C ATOM 415 C GLN A 73 11.830 -5.810 -1.923 1.00 0.00 C ATOM 416 O GLN A 73 12.963 -5.360 -2.098 1.00 0.00 O ATOM 417 CB GLN A 73 11.404 -7.581 -0.193 1.00 0.00 C ATOM 418 CG GLN A 73 12.839 -8.062 0.019 1.00 0.00 C ATOM 419 CD GLN A 73 13.460 -7.443 1.260 1.00 0.00 C ATOM 420 OE1 GLN A 73 13.179 -7.849 2.383 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.307 -6.439 1.099 1.00 0.00 N ATOM 0 H GLN A 73 9.321 -6.316 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 73 12.015 -5.544 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.815 -7.791 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.951 -8.139 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.849 -9.148 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.441 -7.809 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.534 -6.109 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.733 -5.995 1.913 1.00 0.00 H new ATOM 430 N ASN A 74 10.989 -6.068 -2.927 1.00 0.00 N ATOM 431 CA ASN A 74 11.330 -5.887 -4.336 1.00 0.00 C ATOM 432 C ASN A 74 11.720 -4.462 -4.697 1.00 0.00 C ATOM 433 O ASN A 74 12.528 -4.272 -5.605 1.00 0.00 O ATOM 434 CB ASN A 74 10.161 -6.288 -5.257 1.00 0.00 C ATOM 435 CG ASN A 74 10.067 -7.790 -5.446 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.036 -8.429 -5.853 1.00 0.00 O ATOM 437 ND2 ASN A 74 8.913 -8.375 -5.192 1.00 0.00 N ATOM 0 H ASN A 74 10.040 -6.413 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 74 12.193 -6.536 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.226 -5.918 -4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.285 -5.809 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.809 -9.380 -5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.124 -7.823 -4.855 1.00 0.00 H new ATOM 444 N GLU A 75 11.205 -3.457 -3.993 1.00 0.00 N ATOM 445 CA GLU A 75 11.487 -2.053 -4.277 1.00 0.00 C ATOM 446 C GLU A 75 11.957 -1.299 -3.032 1.00 0.00 C ATOM 447 O GLU A 75 11.807 -0.082 -2.926 1.00 0.00 O ATOM 448 CB GLU A 75 10.228 -1.448 -4.907 1.00 0.00 C ATOM 449 CG GLU A 75 9.906 -2.016 -6.300 1.00 0.00 C ATOM 450 CD GLU A 75 10.842 -1.504 -7.406 1.00 0.00 C ATOM 451 OE1 GLU A 75 11.811 -0.748 -7.155 1.00 0.00 O ATOM 452 OE2 GLU A 75 10.579 -1.807 -8.591 1.00 0.00 O ATOM 0 H GLU A 75 10.575 -3.596 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 75 12.317 -1.966 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.380 -1.625 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.353 -0.368 -4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.964 -3.104 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.878 -1.760 -6.558 1.00 0.00 H new ATOM 459 N ILE A 76 12.589 -2.003 -2.096 1.00 0.00 N ATOM 460 CA ILE A 76 13.098 -1.464 -0.838 1.00 0.00 C ATOM 461 C ILE A 76 14.094 -0.307 -1.021 1.00 0.00 C ATOM 462 O ILE A 76 14.262 0.531 -0.136 1.00 0.00 O ATOM 463 CB ILE A 76 13.707 -2.638 -0.040 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.052 -2.291 1.417 1.00 0.00 C ATOM 465 CG2 ILE A 76 14.940 -3.235 -0.744 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.858 -1.720 2.189 1.00 0.00 C ATOM 0 H ILE A 76 12.767 -3.002 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 76 12.272 -1.015 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 76 12.916 -3.388 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.412 -3.186 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.867 -1.568 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.336 -4.057 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.653 -3.605 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.704 -2.466 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.160 -1.494 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.513 -0.808 1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.050 -2.452 2.203 1.00 0.00 H new ATOM 478 N ASN A 77 14.759 -0.248 -2.174 1.00 0.00 N ATOM 479 CA ASN A 77 15.752 0.764 -2.527 1.00 0.00 C ATOM 480 C ASN A 77 15.155 1.814 -3.471 1.00 0.00 C ATOM 481 O ASN A 77 15.854 2.376 -4.316 1.00 0.00 O ATOM 482 CB ASN A 77 16.973 0.050 -3.123 1.00 0.00 C ATOM 483 CG ASN A 77 17.643 -0.876 -2.116 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.719 -0.584 -0.926 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.112 -2.034 -2.546 1.00 0.00 N ATOM 0 H ASN A 77 14.614 -0.932 -2.917 1.00 0.00 H new ATOM 0 HA ASN A 77 16.070 1.314 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.665 -0.526 -3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.693 0.792 -3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.538 -2.687 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.048 -2.275 -3.535 1.00 0.00 H new ATOM 492 N ASN A 78 13.847 2.055 -3.369 1.00 0.00 N ATOM 493 CA ASN A 78 13.110 3.002 -4.192 1.00 0.00 C ATOM 494 C ASN A 78 12.099 3.753 -3.322 1.00 0.00 C ATOM 495 O ASN A 78 11.277 3.128 -2.644 1.00 0.00 O ATOM 496 CB ASN A 78 12.369 2.198 -5.258 1.00 0.00 C ATOM 497 CG ASN A 78 11.938 2.934 -6.512 1.00 0.00 C ATOM 498 OD1 ASN A 78 12.119 4.136 -6.680 1.00 0.00 O ATOM 499 ND2 ASN A 78 11.289 2.204 -7.398 1.00 0.00 N ATOM 0 H ASN A 78 13.257 1.578 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 78 13.784 3.726 -4.651 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.007 1.367 -5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.480 1.767 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.924 2.637 -8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.152 1.207 -7.235 1.00 0.00 H new ATOM 506 N PRO A 79 12.076 5.086 -3.367 1.00 0.00 N ATOM 507 CA PRO A 79 11.163 5.899 -2.582 1.00 0.00 C ATOM 508 C PRO A 79 9.715 5.696 -3.031 1.00 0.00 C ATOM 509 O PRO A 79 8.792 5.909 -2.248 1.00 0.00 O ATOM 510 CB PRO A 79 11.675 7.328 -2.719 1.00 0.00 C ATOM 511 CG PRO A 79 12.489 7.321 -4.007 1.00 0.00 C ATOM 512 CD PRO A 79 12.986 5.899 -4.126 1.00 0.00 C ATOM 0 HA PRO A 79 11.143 5.619 -1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.852 8.041 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.288 7.614 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.878 7.602 -4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.316 8.029 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.012 5.583 -5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.001 5.809 -3.740 1.00 0.00 H new ATOM 520 N LYS A 80 9.486 5.204 -4.254 1.00 0.00 N ATOM 521 CA LYS A 80 8.153 4.926 -4.787 1.00 0.00 C ATOM 522 C LYS A 80 7.398 3.876 -3.957 1.00 0.00 C ATOM 523 O LYS A 80 6.200 3.715 -4.174 1.00 0.00 O ATOM 524 CB LYS A 80 8.301 4.426 -6.238 1.00 0.00 C ATOM 525 CG LYS A 80 8.417 5.561 -7.264 1.00 0.00 C ATOM 526 CD LYS A 80 7.066 5.936 -7.884 1.00 0.00 C ATOM 527 CE LYS A 80 6.604 4.834 -8.845 1.00 0.00 C ATOM 528 NZ LYS A 80 5.287 5.112 -9.444 1.00 0.00 N ATOM 0 H LYS A 80 10.236 4.985 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 80 7.571 5.847 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.184 3.791 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.442 3.805 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.847 6.439 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.105 5.262 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.324 6.079 -7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.152 6.882 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.342 4.718 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.561 3.886 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.911 4.243 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.633 5.444 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.386 5.845 -10.175 1.00 0.00 H new ATOM 542 N PHE A 81 8.058 3.187 -3.019 1.00 0.00 N ATOM 543 CA PHE A 81 7.472 2.142 -2.182 1.00 0.00 C ATOM 544 C PHE A 81 7.825 2.308 -0.700 1.00 0.00 C ATOM 545 O PHE A 81 7.490 1.436 0.103 1.00 0.00 O ATOM 546 CB PHE A 81 7.955 0.783 -2.723 1.00 0.00 C ATOM 547 CG PHE A 81 7.620 0.489 -4.185 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.281 1.160 -5.235 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.649 -0.472 -4.507 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.897 0.959 -6.570 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.270 -0.692 -5.841 1.00 0.00 C ATOM 552 CZ PHE A 81 6.867 0.054 -6.870 1.00 0.00 C ATOM 0 H PHE A 81 9.045 3.349 -2.818 1.00 0.00 H new ATOM 0 HA PHE A 81 6.385 2.210 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.037 0.729 -2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.524 -0.006 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.092 1.836 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.188 -1.049 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.392 1.499 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.521 -1.434 -6.075 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.534 -0.068 -7.890 1.00 0.00 H new ATOM 562 N ASN A 82 8.488 3.401 -0.300 1.00 0.00 N ATOM 563 CA ASN A 82 8.879 3.646 1.096 1.00 0.00 C ATOM 564 C ASN A 82 7.704 3.643 2.081 1.00 0.00 C ATOM 565 O ASN A 82 7.898 3.322 3.252 1.00 0.00 O ATOM 566 CB ASN A 82 9.686 4.951 1.232 1.00 0.00 C ATOM 567 CG ASN A 82 8.931 6.236 0.883 1.00 0.00 C ATOM 568 OD1 ASN A 82 7.741 6.237 0.568 1.00 0.00 O ATOM 569 ND2 ASN A 82 9.633 7.354 0.834 1.00 0.00 N ATOM 0 H ASN A 82 8.770 4.145 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 82 9.512 2.801 1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.045 5.029 2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.565 4.882 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.189 8.222 0.534 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.619 7.349 1.096 1.00 0.00 H new ATOM 576 N PHE A 83 6.482 3.915 1.615 1.00 0.00 N ATOM 577 CA PHE A 83 5.285 3.960 2.448 1.00 0.00 C ATOM 578 C PHE A 83 4.955 2.604 3.080 1.00 0.00 C ATOM 579 O PHE A 83 4.177 2.537 4.033 1.00 0.00 O ATOM 580 CB PHE A 83 4.117 4.565 1.653 1.00 0.00 C ATOM 581 CG PHE A 83 3.685 3.778 0.431 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.877 2.635 0.586 1.00 0.00 C ATOM 583 CD2 PHE A 83 4.086 4.160 -0.867 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.457 1.906 -0.536 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.706 3.398 -1.968 1.00 0.00 C ATOM 586 CZ PHE A 83 2.837 2.314 -1.818 1.00 0.00 C ATOM 0 H PHE A 83 6.297 4.113 0.632 1.00 0.00 H new ATOM 0 HA PHE A 83 5.480 4.616 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.261 4.668 2.320 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.397 5.570 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.579 2.318 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.689 5.045 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.840 1.029 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.086 3.647 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.461 1.795 -2.687 1.00 0.00 H new ATOM 596 N LEU A 84 5.530 1.516 2.561 1.00 0.00 N ATOM 597 CA LEU A 84 5.315 0.169 3.070 1.00 0.00 C ATOM 598 C LEU A 84 6.067 -0.077 4.382 1.00 0.00 C ATOM 599 O LEU A 84 5.762 -1.038 5.095 1.00 0.00 O ATOM 600 CB LEU A 84 5.742 -0.838 1.997 1.00 0.00 C ATOM 601 CG LEU A 84 4.761 -0.938 0.823 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.314 -1.948 -0.176 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.373 -1.402 1.256 1.00 0.00 C ATOM 0 H LEU A 84 6.166 1.552 1.764 1.00 0.00 H new ATOM 0 HA LEU A 84 4.255 0.045 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.724 -0.556 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.848 -1.821 2.455 1.00 0.00 H new ATOM 0 HG LEU A 84 4.658 0.056 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.631 -2.035 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.289 -1.613 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.418 -2.919 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.719 -1.455 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.446 -2.388 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.961 -0.695 1.976 1.00 0.00 H new ATOM 615 N ASN A 85 7.065 0.747 4.700 1.00 0.00 N ATOM 616 CA ASN A 85 7.853 0.658 5.931 1.00 0.00 C ATOM 617 C ASN A 85 7.279 1.600 6.986 1.00 0.00 C ATOM 618 O ASN A 85 6.676 2.612 6.643 1.00 0.00 O ATOM 619 CB ASN A 85 9.310 1.029 5.664 1.00 0.00 C ATOM 620 CG ASN A 85 10.077 -0.187 5.198 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.364 -1.084 5.992 1.00 0.00 O ATOM 622 ND2 ASN A 85 10.378 -0.278 3.920 1.00 0.00 N ATOM 0 H ASN A 85 7.356 1.514 4.094 1.00 0.00 H new ATOM 0 HA ASN A 85 7.808 -0.369 6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.361 1.813 4.908 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.764 1.430 6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.860 -1.105 3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.130 0.478 3.282 1.00 0.00 H new ATOM 629 N PRO A 86 7.510 1.330 8.281 1.00 0.00 N ATOM 630 CA PRO A 86 7.002 2.151 9.381 1.00 0.00 C ATOM 631 C PRO A 86 7.695 3.505 9.488 1.00 0.00 C ATOM 632 O PRO A 86 7.212 4.404 10.182 1.00 0.00 O ATOM 633 CB PRO A 86 7.233 1.318 10.642 1.00 0.00 C ATOM 634 CG PRO A 86 8.453 0.480 10.275 1.00 0.00 C ATOM 635 CD PRO A 86 8.228 0.180 8.798 1.00 0.00 C ATOM 0 HA PRO A 86 5.951 2.391 9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.421 1.946 11.513 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.371 0.695 10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.382 1.026 10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.510 -0.432 10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.175 0.040 8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.652 -0.736 8.666 1.00 0.00 H new ATOM 643 N ASN A 87 8.842 3.650 8.825 1.00 0.00 N ATOM 644 CA ASN A 87 9.613 4.879 8.828 1.00 0.00 C ATOM 645 C ASN A 87 8.902 5.969 8.036 1.00 0.00 C ATOM 646 O ASN A 87 9.348 7.114 8.048 1.00 0.00 O ATOM 647 CB ASN A 87 11.022 4.621 8.282 1.00 0.00 C ATOM 648 CG ASN A 87 11.831 3.638 9.120 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.663 2.911 8.598 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.609 3.533 10.421 1.00 0.00 N ATOM 0 H ASN A 87 9.261 2.906 8.267 1.00 0.00 H new ATOM 0 HA ASN A 87 9.705 5.230 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.944 4.239 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.560 5.567 8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.129 2.852 10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.918 4.133 10.870 1.00 0.00 H new ATOM 657 N ASP A 88 7.823 5.638 7.327 1.00 0.00 N ATOM 658 CA ASP A 88 7.066 6.588 6.534 1.00 0.00 C ATOM 659 C ASP A 88 5.882 7.134 7.321 1.00 0.00 C ATOM 660 O ASP A 88 5.208 6.388 8.040 1.00 0.00 O ATOM 661 CB ASP A 88 6.534 5.909 5.273 1.00 0.00 C ATOM 662 CG ASP A 88 6.775 6.807 4.081 1.00 0.00 C ATOM 663 OD1 ASP A 88 7.956 6.961 3.712 1.00 0.00 O ATOM 664 OD2 ASP A 88 5.779 7.403 3.608 1.00 0.00 O ATOM 0 H ASP A 88 7.451 4.689 7.291 1.00 0.00 H new ATOM 0 HA ASP A 88 7.734 7.408 6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.030 4.950 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.469 5.704 5.379 1.00 0.00 H new ATOM 669 N PRO A 89 5.575 8.426 7.171 1.00 0.00 N ATOM 670 CA PRO A 89 4.458 9.046 7.848 1.00 0.00 C ATOM 671 C PRO A 89 3.137 8.500 7.297 1.00 0.00 C ATOM 672 O PRO A 89 2.158 8.452 8.041 1.00 0.00 O ATOM 673 CB PRO A 89 4.616 10.545 7.598 1.00 0.00 C ATOM 674 CG PRO A 89 5.479 10.648 6.347 1.00 0.00 C ATOM 675 CD PRO A 89 6.292 9.379 6.352 1.00 0.00 C ATOM 0 HA PRO A 89 4.443 8.835 8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.648 11.025 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.090 11.039 8.446 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.868 10.726 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.118 11.530 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.420 8.998 5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.289 9.560 6.753 1.00 0.00 H new ATOM 683 N TYR A 90 3.111 8.061 6.032 1.00 0.00 N ATOM 684 CA TYR A 90 1.944 7.517 5.343 1.00 0.00 C ATOM 685 C TYR A 90 1.698 6.053 5.652 1.00 0.00 C ATOM 686 O TYR A 90 0.652 5.533 5.263 1.00 0.00 O ATOM 687 CB TYR A 90 2.112 7.678 3.833 1.00 0.00 C ATOM 688 CG TYR A 90 1.966 9.118 3.424 1.00 0.00 C ATOM 689 CD1 TYR A 90 3.064 9.993 3.506 1.00 0.00 C ATOM 690 CD2 TYR A 90 0.693 9.599 3.084 1.00 0.00 C ATOM 691 CE1 TYR A 90 2.881 11.364 3.269 1.00 0.00 C ATOM 692 CE2 TYR A 90 0.513 10.959 2.813 1.00 0.00 C ATOM 693 CZ TYR A 90 1.603 11.852 2.915 1.00 0.00 C ATOM 694 OH TYR A 90 1.411 13.176 2.664 1.00 0.00 O ATOM 0 H TYR A 90 3.941 8.078 5.439 1.00 0.00 H new ATOM 0 HA TYR A 90 1.083 8.079 5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.092 7.308 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.369 7.072 3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.044 9.611 3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.146 8.921 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.715 12.045 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.461 11.327 2.525 1.00 0.00 H new ATOM 0 HH TYR A 90 0.471 13.333 2.434 1.00 0.00 H new ATOM 704 N HIS A 91 2.624 5.400 6.356 1.00 0.00 N ATOM 705 CA HIS A 91 2.487 3.997 6.694 1.00 0.00 C ATOM 706 C HIS A 91 1.138 3.711 7.347 1.00 0.00 C ATOM 707 O HIS A 91 0.394 2.879 6.848 1.00 0.00 O ATOM 708 CB HIS A 91 3.654 3.565 7.571 1.00 0.00 C ATOM 709 CG HIS A 91 3.650 2.089 7.865 1.00 0.00 C ATOM 710 ND1 HIS A 91 3.998 1.106 6.972 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.310 1.485 9.046 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.925 -0.070 7.618 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.525 0.108 8.897 1.00 0.00 N ATOM 0 H HIS A 91 3.481 5.832 6.702 1.00 0.00 H new ATOM 0 HA HIS A 91 2.514 3.407 5.778 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.590 3.830 7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.620 4.118 8.510 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.263 1.243 5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.942 1.980 9.932 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.155 -1.028 7.175 1.00 0.00 H new ATOM 721 N ALA A 92 0.772 4.415 8.422 1.00 0.00 N ATOM 722 CA ALA A 92 -0.500 4.194 9.107 1.00 0.00 C ATOM 723 C ALA A 92 -1.711 4.307 8.176 1.00 0.00 C ATOM 724 O ALA A 92 -2.668 3.546 8.340 1.00 0.00 O ATOM 725 CB ALA A 92 -0.624 5.175 10.268 1.00 0.00 C ATOM 0 H ALA A 92 1.346 5.149 8.838 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.498 3.169 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.572 5.013 10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.198 5.018 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.587 6.196 9.887 1.00 0.00 H new ATOM 731 N TYR A 93 -1.690 5.241 7.229 1.00 0.00 N ATOM 732 CA TYR A 93 -2.770 5.430 6.274 1.00 0.00 C ATOM 733 C TYR A 93 -2.778 4.232 5.330 1.00 0.00 C ATOM 734 O TYR A 93 -3.842 3.681 5.064 1.00 0.00 O ATOM 735 CB TYR A 93 -2.608 6.767 5.546 1.00 0.00 C ATOM 736 CG TYR A 93 -3.549 6.988 4.380 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.927 7.161 4.594 1.00 0.00 C ATOM 738 CD2 TYR A 93 -3.040 7.002 3.074 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.795 7.401 3.512 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.901 7.231 1.983 1.00 0.00 C ATOM 741 CZ TYR A 93 -5.277 7.469 2.199 1.00 0.00 C ATOM 742 OH TYR A 93 -6.096 7.721 1.139 1.00 0.00 O ATOM 0 H TYR A 93 -0.915 5.892 7.105 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.737 5.478 6.776 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.752 7.573 6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.583 6.842 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.324 7.109 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.986 6.837 2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.853 7.533 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.508 7.225 0.977 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.568 7.733 0.313 1.00 0.00 H new ATOM 752 N TYR A 94 -1.616 3.790 4.842 1.00 0.00 N ATOM 753 CA TYR A 94 -1.534 2.635 3.959 1.00 0.00 C ATOM 754 C TYR A 94 -2.106 1.414 4.678 1.00 0.00 C ATOM 755 O TYR A 94 -2.883 0.651 4.099 1.00 0.00 O ATOM 756 CB TYR A 94 -0.083 2.381 3.509 1.00 0.00 C ATOM 757 CG TYR A 94 0.061 1.078 2.746 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.142 1.038 1.357 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.324 -0.119 3.439 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.123 -0.184 0.672 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.344 -1.348 2.759 1.00 0.00 C ATOM 762 CZ TYR A 94 0.099 -1.382 1.373 1.00 0.00 C ATOM 763 OH TYR A 94 0.128 -2.561 0.705 1.00 0.00 O ATOM 0 H TYR A 94 -0.715 4.222 5.049 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.119 2.831 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.250 3.207 2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.568 2.362 4.383 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.314 1.955 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.512 -0.092 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.279 -0.206 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.546 -2.262 3.297 1.00 0.00 H new ATOM 0 HH TYR A 94 0.523 -3.252 1.277 1.00 0.00 H new ATOM 773 N ARG A 95 -1.726 1.229 5.946 1.00 0.00 N ATOM 774 CA ARG A 95 -2.200 0.109 6.758 1.00 0.00 C ATOM 775 C ARG A 95 -3.728 0.151 6.768 1.00 0.00 C ATOM 776 O ARG A 95 -4.367 -0.884 6.551 1.00 0.00 O ATOM 777 CB ARG A 95 -1.602 0.136 8.177 1.00 0.00 C ATOM 778 CG ARG A 95 -0.068 -0.021 8.261 1.00 0.00 C ATOM 779 CD ARG A 95 0.471 -1.410 7.909 1.00 0.00 C ATOM 780 NE ARG A 95 0.166 -2.380 8.970 1.00 0.00 N ATOM 781 CZ ARG A 95 0.107 -3.710 8.836 1.00 0.00 C ATOM 782 NH1 ARG A 95 0.460 -4.330 7.711 1.00 0.00 N ATOM 783 NH2 ARG A 95 -0.312 -4.424 9.872 1.00 0.00 N ATOM 0 H ARG A 95 -1.083 1.851 6.436 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.866 -0.834 6.325 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.879 1.078 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.063 -0.661 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.392 0.708 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.251 0.228 9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.034 -1.746 6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.549 -1.358 7.759 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.019 -2.002 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.790 -3.788 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.401 -5.346 7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.578 -3.957 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.368 -5.440 9.802 1.00 0.00 H new ATOM 797 N HIS A 96 -4.304 1.340 6.980 1.00 0.00 N ATOM 798 CA HIS A 96 -5.745 1.528 6.990 1.00 0.00 C ATOM 799 C HIS A 96 -6.313 1.177 5.623 1.00 0.00 C ATOM 800 O HIS A 96 -7.293 0.437 5.602 1.00 0.00 O ATOM 801 CB HIS A 96 -6.104 2.966 7.421 1.00 0.00 C ATOM 802 CG HIS A 96 -7.585 3.260 7.458 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.346 3.407 8.597 1.00 0.00 N ATOM 804 CD2 HIS A 96 -8.406 3.453 6.377 1.00 0.00 C ATOM 805 CE1 HIS A 96 -9.611 3.645 8.212 1.00 0.00 C ATOM 806 NE2 HIS A 96 -9.703 3.658 6.869 1.00 0.00 N ATOM 0 H HIS A 96 -3.776 2.196 7.149 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.196 0.859 7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.686 3.150 8.411 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.625 3.667 6.737 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.109 3.448 5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.439 3.804 8.887 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.550 3.791 6.317 1.00 0.00 H new ATOM 814 N LYS A 97 -5.732 1.646 4.509 1.00 0.00 N ATOM 815 CA LYS A 97 -6.223 1.345 3.167 1.00 0.00 C ATOM 816 C LYS A 97 -6.322 -0.162 2.963 1.00 0.00 C ATOM 817 O LYS A 97 -7.355 -0.603 2.475 1.00 0.00 O ATOM 818 CB LYS A 97 -5.331 1.979 2.088 1.00 0.00 C ATOM 819 CG LYS A 97 -5.372 3.516 2.028 1.00 0.00 C ATOM 820 CD LYS A 97 -6.781 4.112 1.916 1.00 0.00 C ATOM 821 CE LYS A 97 -7.505 3.541 0.698 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.806 4.184 0.435 1.00 0.00 N ATOM 0 H LYS A 97 -4.907 2.246 4.519 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.219 1.778 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.301 1.665 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.627 1.585 1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.893 3.915 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.782 3.849 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.349 3.893 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.718 5.197 1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.868 3.654 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.659 2.472 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.221 3.786 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.447 4.012 1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.669 5.208 0.315 1.00 0.00 H new ATOM 836 N VAL A 98 -5.322 -0.953 3.360 1.00 0.00 N ATOM 837 CA VAL A 98 -5.370 -2.410 3.197 1.00 0.00 C ATOM 838 C VAL A 98 -6.629 -2.939 3.890 1.00 0.00 C ATOM 839 O VAL A 98 -7.467 -3.576 3.255 1.00 0.00 O ATOM 840 CB VAL A 98 -4.085 -3.068 3.734 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.147 -4.604 3.667 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.865 -2.607 2.930 1.00 0.00 C ATOM 0 H VAL A 98 -4.467 -0.609 3.798 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.422 -2.666 2.139 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.996 -2.761 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.219 -5.023 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.985 -4.961 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.281 -4.918 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.968 -3.083 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.993 -2.885 1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.766 -1.524 3.008 1.00 0.00 H new ATOM 852 N SER A 99 -6.776 -2.632 5.178 1.00 0.00 N ATOM 853 CA SER A 99 -7.908 -3.020 6.007 1.00 0.00 C ATOM 854 C SER A 99 -9.227 -2.390 5.515 1.00 0.00 C ATOM 855 O SER A 99 -10.286 -2.714 6.032 1.00 0.00 O ATOM 856 CB SER A 99 -7.592 -2.592 7.446 1.00 0.00 C ATOM 857 OG SER A 99 -6.530 -3.353 8.005 1.00 0.00 O ATOM 0 H SER A 99 -6.082 -2.086 5.688 1.00 0.00 H new ATOM 0 HA SER A 99 -8.053 -4.099 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.327 -1.535 7.460 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.484 -2.706 8.063 1.00 0.00 H new ATOM 0 HG SER A 99 -6.357 -3.050 8.921 1.00 0.00 H new ATOM 863 N GLU A 100 -9.207 -1.454 4.570 1.00 0.00 N ATOM 864 CA GLU A 100 -10.382 -0.799 4.001 1.00 0.00 C ATOM 865 C GLU A 100 -10.845 -1.559 2.762 1.00 0.00 C ATOM 866 O GLU A 100 -12.009 -1.955 2.659 1.00 0.00 O ATOM 867 CB GLU A 100 -10.007 0.642 3.629 1.00 0.00 C ATOM 868 CG GLU A 100 -11.068 1.669 4.026 1.00 0.00 C ATOM 869 CD GLU A 100 -10.821 3.066 3.448 1.00 0.00 C ATOM 870 OE1 GLU A 100 -9.744 3.316 2.870 1.00 0.00 O ATOM 871 OE2 GLU A 100 -11.721 3.936 3.546 1.00 0.00 O ATOM 0 H GLU A 100 -8.335 -1.117 4.162 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.195 -0.791 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.064 0.900 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.841 0.700 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.044 1.316 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.106 1.737 5.113 1.00 0.00 H new ATOM 878 N PHE A 101 -9.923 -1.761 1.817 1.00 0.00 N ATOM 879 CA PHE A 101 -10.184 -2.470 0.575 1.00 0.00 C ATOM 880 C PHE A 101 -10.576 -3.912 0.876 1.00 0.00 C ATOM 881 O PHE A 101 -11.393 -4.493 0.168 1.00 0.00 O ATOM 882 CB PHE A 101 -8.929 -2.458 -0.313 1.00 0.00 C ATOM 883 CG PHE A 101 -8.753 -1.251 -1.214 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.257 -1.284 -2.526 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.966 -0.158 -0.809 1.00 0.00 C ATOM 886 CE1 PHE A 101 -8.966 -0.238 -3.416 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.706 0.897 -1.696 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.217 0.871 -2.999 1.00 0.00 C ATOM 0 H PHE A 101 -8.962 -1.429 1.901 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.000 -1.972 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.053 -2.534 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.943 -3.351 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.868 -2.114 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.559 -0.131 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.323 -0.288 -4.434 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.107 1.735 -1.371 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.037 1.695 -3.674 1.00 0.00 H new ATOM 898 N LYS A 102 -10.021 -4.493 1.942 1.00 0.00 N ATOM 899 CA LYS A 102 -10.312 -5.874 2.312 1.00 0.00 C ATOM 900 C LYS A 102 -11.764 -6.102 2.659 1.00 0.00 C ATOM 901 O LYS A 102 -12.346 -7.107 2.256 1.00 0.00 O ATOM 902 CB LYS A 102 -9.434 -6.267 3.497 1.00 0.00 C ATOM 903 CG LYS A 102 -8.298 -7.110 2.946 1.00 0.00 C ATOM 904 CD LYS A 102 -7.179 -7.367 3.944 1.00 0.00 C ATOM 905 CE LYS A 102 -6.768 -8.846 4.023 1.00 0.00 C ATOM 906 NZ LYS A 102 -6.820 -9.621 2.751 1.00 0.00 N ATOM 0 H LYS A 102 -9.364 -4.023 2.565 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.096 -6.495 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.048 -5.381 4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.009 -6.828 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.699 -8.067 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.882 -6.613 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.310 -6.769 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.497 -7.031 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.751 -8.897 4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.412 -9.340 4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.035 -10.303 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.724 -10.132 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.737 -8.970 1.944 1.00 0.00 H new ATOM 920 N GLU A 103 -12.315 -5.178 3.431 1.00 0.00 N ATOM 921 CA GLU A 103 -13.694 -5.229 3.881 1.00 0.00 C ATOM 922 C GLU A 103 -14.610 -4.923 2.697 1.00 0.00 C ATOM 923 O GLU A 103 -15.774 -5.300 2.713 1.00 0.00 O ATOM 924 CB GLU A 103 -13.903 -4.213 5.002 1.00 0.00 C ATOM 925 CG GLU A 103 -12.812 -4.231 6.078 1.00 0.00 C ATOM 926 CD GLU A 103 -13.045 -5.103 7.305 1.00 0.00 C ATOM 927 OE1 GLU A 103 -12.924 -6.347 7.206 1.00 0.00 O ATOM 928 OE2 GLU A 103 -13.129 -4.516 8.407 1.00 0.00 O ATOM 0 H GLU A 103 -11.807 -4.360 3.767 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.929 -6.221 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.953 -3.215 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.867 -4.403 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.883 -4.553 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.659 -3.207 6.418 1.00 0.00 H new ATOM 935 N GLY A 104 -14.084 -4.257 1.662 1.00 0.00 N ATOM 936 CA GLY A 104 -14.814 -3.908 0.452 1.00 0.00 C ATOM 937 C GLY A 104 -15.584 -2.604 0.599 1.00 0.00 C ATOM 938 O GLY A 104 -16.654 -2.448 0.010 1.00 0.00 O ATOM 0 H GLY A 104 -13.114 -3.941 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.115 -3.823 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.508 -4.711 0.204 1.00 0.00 H new ATOM 942 N LYS A 105 -15.095 -1.676 1.425 1.00 0.00 N ATOM 943 CA LYS A 105 -15.731 -0.378 1.667 1.00 0.00 C ATOM 944 C LYS A 105 -14.912 0.789 1.129 1.00 0.00 C ATOM 945 O LYS A 105 -15.418 1.911 1.104 1.00 0.00 O ATOM 946 CB LYS A 105 -15.981 -0.209 3.172 1.00 0.00 C ATOM 947 CG LYS A 105 -14.667 -0.193 3.961 1.00 0.00 C ATOM 948 CD LYS A 105 -14.841 0.188 5.426 1.00 0.00 C ATOM 949 CE LYS A 105 -13.562 -0.222 6.158 1.00 0.00 C ATOM 950 NZ LYS A 105 -13.563 0.213 7.561 1.00 0.00 N ATOM 0 H LYS A 105 -14.232 -1.807 1.953 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.677 -0.367 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -16.525 0.719 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -16.612 -1.022 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.206 -1.179 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -13.979 0.509 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.014 1.259 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.707 -0.317 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.452 -1.306 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.700 0.206 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.678 -0.086 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.641 1.249 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.370 -0.216 8.057 1.00 0.00 H new ATOM 964 N ALA A 106 -13.644 0.556 0.790 1.00 0.00 N ATOM 965 CA ALA A 106 -12.788 1.607 0.275 1.00 0.00 C ATOM 966 C ALA A 106 -13.328 2.095 -1.059 1.00 0.00 C ATOM 967 O ALA A 106 -13.949 1.331 -1.801 1.00 0.00 O ATOM 968 CB ALA A 106 -11.371 1.096 0.036 1.00 0.00 C ATOM 0 H ALA A 106 -13.193 -0.356 0.866 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.770 2.409 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.752 1.906 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.951 0.735 0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.395 0.281 -0.688 1.00 0.00 H new ATOM 974 N GLN A 107 -13.000 3.336 -1.388 1.00 0.00 N ATOM 975 CA GLN A 107 -13.416 3.973 -2.619 1.00 0.00 C ATOM 976 C GLN A 107 -12.203 3.984 -3.537 1.00 0.00 C ATOM 977 O GLN A 107 -11.341 4.861 -3.449 1.00 0.00 O ATOM 978 CB GLN A 107 -13.999 5.354 -2.312 1.00 0.00 C ATOM 979 CG GLN A 107 -15.150 5.231 -1.302 1.00 0.00 C ATOM 980 CD GLN A 107 -15.915 6.539 -1.197 1.00 0.00 C ATOM 981 OE1 GLN A 107 -16.652 6.923 -2.108 1.00 0.00 O ATOM 982 NE2 GLN A 107 -15.732 7.275 -0.120 1.00 0.00 N ATOM 0 H GLN A 107 -12.427 3.935 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.217 3.438 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.221 6.004 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.359 5.817 -3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.826 4.433 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.754 4.956 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.119 6.944 0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.203 8.175 -0.032 1.00 0.00 H new ATOM 991 N GLU A 108 -12.086 2.927 -4.336 1.00 0.00 N ATOM 992 CA GLU A 108 -10.994 2.741 -5.280 1.00 0.00 C ATOM 993 C GLU A 108 -11.133 3.700 -6.474 1.00 0.00 C ATOM 994 O GLU A 108 -12.262 4.052 -6.838 1.00 0.00 O ATOM 995 CB GLU A 108 -10.977 1.266 -5.723 1.00 0.00 C ATOM 996 CG GLU A 108 -12.110 0.842 -6.664 1.00 0.00 C ATOM 997 CD GLU A 108 -12.088 -0.646 -7.033 1.00 0.00 C ATOM 998 OE1 GLU A 108 -11.567 -1.494 -6.267 1.00 0.00 O ATOM 999 OE2 GLU A 108 -12.683 -0.988 -8.084 1.00 0.00 O ATOM 0 H GLU A 108 -12.762 2.163 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.043 2.977 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.026 1.065 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.014 0.638 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.066 1.076 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -12.051 1.434 -7.578 1.00 0.00 H new ATOM 1006 N PRO A 109 -10.029 4.114 -7.115 1.00 0.00 N ATOM 1007 CA PRO A 109 -10.054 5.006 -8.267 1.00 0.00 C ATOM 1008 C PRO A 109 -10.484 4.235 -9.525 1.00 0.00 C ATOM 1009 O PRO A 109 -10.766 3.033 -9.485 1.00 0.00 O ATOM 1010 CB PRO A 109 -8.630 5.555 -8.372 1.00 0.00 C ATOM 1011 CG PRO A 109 -7.786 4.399 -7.847 1.00 0.00 C ATOM 1012 CD PRO A 109 -8.661 3.771 -6.767 1.00 0.00 C ATOM 0 HA PRO A 109 -10.773 5.818 -8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.370 5.813 -9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.498 6.457 -7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.550 3.685 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.837 4.749 -7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.526 2.690 -6.734 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.401 4.155 -5.781 1.00 0.00 H new ATOM 1020 N SER A 110 -10.559 4.929 -10.658 1.00 0.00 N ATOM 1021 CA SER A 110 -10.950 4.352 -11.936 1.00 0.00 C ATOM 1022 C SER A 110 -10.298 5.205 -12.998 1.00 0.00 C ATOM 1023 O SER A 110 -9.205 4.812 -13.456 1.00 0.00 O ATOM 1024 CB SER A 110 -12.482 4.295 -12.024 1.00 0.00 C ATOM 1025 OG SER A 110 -12.916 3.244 -12.863 1.00 0.00 O ATOM 0 H SER A 110 -10.346 5.925 -10.712 1.00 0.00 H new ATOM 0 HA SER A 110 -10.619 3.322 -12.067 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.900 4.161 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.861 5.244 -12.403 1.00 0.00 H new ATOM 0 HG SER A 110 -13.895 3.235 -12.896 1.00 0.00 H new TER 1031 SER A 110