USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 623 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 624 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.41) USER MOD Set 2.1: A 618 LYS NZ :NH3+ -179:sc= 0.948 (180deg=0.941) USER MOD Set 2.2: A 659 MET CE :methyl -178:sc= -0.391 (180deg=-0.433) USER MOD Set 3.1: A 605 LYS NZ :NH3+ 151:sc= 0.913 (180deg=0.038) USER MOD Set 3.2: A 620 ASN : amide:sc= -0.0189 K(o=0.89,f=-3.9) USER MOD Single : A 602 SER OG : rot 180:sc= 0 USER MOD Single : A 609 GLN : amide:sc= 0.675 K(o=0.68,f=-0.91) USER MOD Single : A 610 MET CE :methyl 170:sc= 0 (180deg=-0.0564) USER MOD Single : A 615 ASN : amide:sc= 0.633 K(o=0.63,f=-0.17) USER MOD Single : A 616 SER OG : rot 77:sc= 0.76 USER MOD Single : A 629 SER OG : rot 180:sc= 0 USER MOD Single : A 633 HIS : no HE2:sc= 0.782 K(o=0.78,f=-4.7!) USER MOD Single : A 634 TYR OH : rot 72:sc= 1.25 USER MOD Single : A 638 TYR OH : rot 43:sc= 0.921 USER MOD Single : A 642 SER OG : rot 121:sc= 0.684 USER MOD Single : A 643 SER OG : rot 3:sc= 0.595 USER MOD Single : A 646 LYS NZ :NH3+ -120:sc= 0.718 (180deg=-0.494!) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -84:sc= 0.657 USER MOD Single : A 657 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0.0099) USER MOD Single : A 661 LYS NZ :NH3+ 175:sc= 0.956 (180deg=0.936) USER MOD Single : A 662 SER OG : rot -58:sc= 0.0866 USER MOD Single : A 666 ASN : amide:sc= 0.301 K(o=0.3,f=-3.4!) USER MOD Single : A 669 TYR OH : rot 59:sc= 0.196 USER MOD Single : A 672 TYR OH : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.398 K(o=-0.4,f=-10!) USER MOD Single : A 678 GLN : amide:sc=-0.00115 X(o=-0.0011,f=-0.47) USER MOD Single : A 679 GLN : amide:sc= -0.688 K(o=-0.69,f=0) USER MOD Single : A 681 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.03) USER MOD Single : A 682 SER OG : rot 81:sc= 0.903 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 HIS : no HD1:sc=-0.00255 X(o=-0.0025,f=0) USER MOD Single : A 691 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 692 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 51 N VAL A 598 0.521 -2.934 -3.663 1.00 25.00 N ATOM 52 CA VAL A 598 -0.249 -2.257 -4.708 1.00 25.00 C ATOM 53 C VAL A 598 0.555 -2.247 -6.007 1.00 25.00 C ATOM 54 O VAL A 598 1.701 -1.815 -6.053 1.00 25.00 O ATOM 55 CB VAL A 598 -0.710 -0.817 -4.255 1.00 25.00 C ATOM 56 CG1 VAL A 598 0.189 -0.256 -3.144 1.00 25.00 C ATOM 57 CG2 VAL A 598 -0.778 0.158 -5.441 1.00 25.00 C ATOM 0 HA VAL A 598 -1.170 -2.810 -4.890 1.00 25.00 H new ATOM 0 HB VAL A 598 -1.717 -0.923 -3.850 1.00 25.00 H new ATOM 0 HG11 VAL A 598 -0.161 0.736 -2.859 1.00 25.00 H new ATOM 0 HG12 VAL A 598 0.152 -0.916 -2.277 1.00 25.00 H new ATOM 0 HG13 VAL A 598 1.215 -0.189 -3.505 1.00 25.00 H new ATOM 0 HG21 VAL A 598 -1.099 1.138 -5.088 1.00 25.00 H new ATOM 0 HG22 VAL A 598 0.207 0.242 -5.900 1.00 25.00 H new ATOM 0 HG23 VAL A 598 -1.490 -0.214 -6.177 1.00 25.00 H new ATOM 67 N ARG A 599 -0.075 -2.756 -7.059 1.00 25.00 N ATOM 68 CA ARG A 599 0.547 -2.862 -8.382 1.00 25.00 C ATOM 69 C ARG A 599 0.385 -1.584 -9.200 1.00 25.00 C ATOM 70 O ARG A 599 -0.421 -0.709 -8.861 1.00 25.00 O ATOM 71 CB ARG A 599 -0.095 -4.028 -9.153 1.00 25.00 C ATOM 72 CG ARG A 599 -1.581 -3.798 -9.474 1.00 25.00 C ATOM 73 CD ARG A 599 -2.178 -4.905 -10.322 1.00 25.00 C ATOM 74 NE ARG A 599 -2.320 -6.164 -9.569 1.00 25.00 N ATOM 75 CZ ARG A 599 -2.985 -7.233 -9.990 1.00 25.00 C ATOM 76 NH1 ARG A 599 -3.602 -7.263 -11.146 1.00 25.00 N ATOM 77 NH2 ARG A 599 -3.038 -8.290 -9.227 1.00 25.00 N ATOM 0 H ARG A 599 -1.032 -3.108 -7.023 1.00 25.00 H new ATOM 0 HA ARG A 599 1.613 -3.033 -8.231 1.00 25.00 H new ATOM 0 HB2 ARG A 599 0.451 -4.184 -10.083 1.00 25.00 H new ATOM 0 HB3 ARG A 599 0.006 -4.942 -8.567 1.00 25.00 H new ATOM 0 HG2 ARG A 599 -2.141 -3.718 -8.542 1.00 25.00 H new ATOM 0 HG3 ARG A 599 -1.692 -2.847 -9.995 1.00 25.00 H new ATOM 0 HD2 ARG A 599 -3.154 -4.592 -10.691 1.00 25.00 H new ATOM 0 HD3 ARG A 599 -1.546 -5.074 -11.194 1.00 25.00 H new ATOM 0 HE ARG A 599 -1.873 -6.218 -8.654 1.00 25.00 H new ATOM 0 HH11 ARG A 599 -3.581 -6.446 -11.756 1.00 25.00 H new ATOM 0 HH12 ARG A 599 -4.103 -8.103 -11.435 1.00 25.00 H new ATOM 0 HH21 ARG A 599 -2.572 -8.288 -8.320 1.00 25.00 H new ATOM 0 HH22 ARG A 599 -3.545 -9.118 -9.538 1.00 25.00 H new ATOM 91 N GLU A 600 1.134 -1.506 -10.288 1.00 25.00 N ATOM 92 CA GLU A 600 1.025 -0.403 -11.241 1.00 25.00 C ATOM 93 C GLU A 600 -0.279 -0.579 -12.039 1.00 25.00 C ATOM 94 O GLU A 600 -0.807 -1.695 -12.129 1.00 25.00 O ATOM 95 CB GLU A 600 2.228 -0.421 -12.189 1.00 25.00 C ATOM 96 CG GLU A 600 3.535 -0.078 -11.497 1.00 25.00 C ATOM 97 CD GLU A 600 4.688 0.080 -12.481 1.00 25.00 C ATOM 98 OE1 GLU A 600 5.076 -0.928 -13.107 1.00 25.00 O ATOM 99 OE2 GLU A 600 5.213 1.213 -12.614 1.00 25.00 O ATOM 0 H GLU A 600 1.835 -2.203 -10.539 1.00 25.00 H new ATOM 0 HA GLU A 600 1.011 0.551 -10.715 1.00 25.00 H new ATOM 0 HB2 GLU A 600 2.312 -1.409 -12.642 1.00 25.00 H new ATOM 0 HB3 GLU A 600 2.056 0.288 -12.999 1.00 25.00 H new ATOM 0 HG2 GLU A 600 3.413 0.847 -10.933 1.00 25.00 H new ATOM 0 HG3 GLU A 600 3.779 -0.860 -10.778 1.00 25.00 H new ATOM 106 N PRO A 601 -0.826 0.512 -12.609 1.00 25.00 N ATOM 107 CA PRO A 601 -2.095 0.368 -13.336 1.00 25.00 C ATOM 108 C PRO A 601 -2.022 -0.283 -14.721 1.00 25.00 C ATOM 109 O PRO A 601 -0.956 -0.424 -15.324 1.00 25.00 O ATOM 110 CB PRO A 601 -2.594 1.807 -13.439 1.00 25.00 C ATOM 111 CG PRO A 601 -1.375 2.640 -13.417 1.00 25.00 C ATOM 112 CD PRO A 601 -0.353 1.911 -12.604 1.00 25.00 C ATOM 0 HA PRO A 601 -2.749 -0.321 -12.802 1.00 25.00 H new ATOM 0 HB2 PRO A 601 -3.161 1.963 -14.357 1.00 25.00 H new ATOM 0 HB3 PRO A 601 -3.256 2.055 -12.609 1.00 25.00 H new ATOM 0 HG2 PRO A 601 -1.009 2.813 -14.429 1.00 25.00 H new ATOM 0 HG3 PRO A 601 -1.585 3.618 -12.983 1.00 25.00 H new ATOM 0 HD2 PRO A 601 0.642 1.998 -13.042 1.00 25.00 H new ATOM 0 HD3 PRO A 601 -0.291 2.308 -11.591 1.00 25.00 H new ATOM 120 N SER A 602 -3.188 -0.665 -15.216 1.00 25.00 N ATOM 121 CA SER A 602 -3.338 -1.303 -16.518 1.00 25.00 C ATOM 122 C SER A 602 -3.207 -0.268 -17.627 1.00 25.00 C ATOM 123 O SER A 602 -3.436 0.919 -17.413 1.00 25.00 O ATOM 124 CB SER A 602 -4.705 -1.988 -16.617 1.00 25.00 C ATOM 125 OG SER A 602 -5.742 -1.031 -16.555 1.00 25.00 O ATOM 0 H SER A 602 -4.070 -0.540 -14.720 1.00 25.00 H new ATOM 0 HA SER A 602 -2.553 -2.051 -16.630 1.00 25.00 H new ATOM 0 HB2 SER A 602 -4.772 -2.546 -17.551 1.00 25.00 H new ATOM 0 HB3 SER A 602 -4.817 -2.708 -15.806 1.00 25.00 H new ATOM 0 HG SER A 602 -6.609 -1.483 -16.621 1.00 25.00 H new ATOM 131 N ALA A 603 -2.821 -0.722 -18.812 1.00 25.00 N ATOM 132 CA ALA A 603 -2.701 0.170 -19.958 1.00 25.00 C ATOM 133 C ALA A 603 -4.065 0.843 -20.215 1.00 25.00 C ATOM 134 O ALA A 603 -5.112 0.199 -20.080 1.00 25.00 O ATOM 135 CB ALA A 603 -2.258 -0.626 -21.197 1.00 25.00 C ATOM 0 H ALA A 603 -2.587 -1.696 -19.005 1.00 25.00 H new ATOM 0 HA ALA A 603 -1.952 0.935 -19.753 1.00 25.00 H new ATOM 0 HB1 ALA A 603 -2.170 0.047 -22.050 1.00 25.00 H new ATOM 0 HB2 ALA A 603 -1.293 -1.094 -21.003 1.00 25.00 H new ATOM 0 HB3 ALA A 603 -2.997 -1.397 -21.418 1.00 25.00 H new ATOM 141 N PRO A 604 -4.066 2.133 -20.597 1.00 25.00 N ATOM 142 CA PRO A 604 -5.355 2.787 -20.843 1.00 25.00 C ATOM 143 C PRO A 604 -6.095 2.208 -22.038 1.00 25.00 C ATOM 144 O PRO A 604 -5.499 1.608 -22.936 1.00 25.00 O ATOM 145 CB PRO A 604 -4.961 4.247 -21.077 1.00 25.00 C ATOM 146 CG PRO A 604 -3.594 4.172 -21.579 1.00 25.00 C ATOM 147 CD PRO A 604 -2.949 3.065 -20.824 1.00 25.00 C ATOM 0 HA PRO A 604 -6.052 2.651 -20.016 1.00 25.00 H new ATOM 0 HB2 PRO A 604 -5.624 4.728 -21.796 1.00 25.00 H new ATOM 0 HB3 PRO A 604 -5.016 4.827 -20.156 1.00 25.00 H new ATOM 0 HG2 PRO A 604 -3.581 3.975 -22.651 1.00 25.00 H new ATOM 0 HG3 PRO A 604 -3.067 5.113 -21.421 1.00 25.00 H new ATOM 0 HD2 PRO A 604 -2.144 2.601 -21.394 1.00 25.00 H new ATOM 0 HD3 PRO A 604 -2.515 3.413 -19.887 1.00 25.00 H new ATOM 155 N LYS A 605 -7.409 2.384 -22.036 1.00 25.00 N ATOM 156 CA LYS A 605 -8.248 1.859 -23.118 1.00 25.00 C ATOM 157 C LYS A 605 -8.024 2.746 -24.326 1.00 25.00 C ATOM 158 O LYS A 605 -7.585 3.880 -24.183 1.00 25.00 O ATOM 159 CB LYS A 605 -9.745 1.926 -22.771 1.00 25.00 C ATOM 160 CG LYS A 605 -10.267 0.930 -21.721 1.00 25.00 C ATOM 161 CD LYS A 605 -10.042 1.343 -20.251 1.00 25.00 C ATOM 162 CE LYS A 605 -10.538 2.763 -19.905 1.00 25.00 C ATOM 163 NZ LYS A 605 -11.940 3.125 -20.357 1.00 25.00 N ATOM 0 H LYS A 605 -7.919 2.881 -21.306 1.00 25.00 H new ATOM 0 HA LYS A 605 -7.981 0.817 -23.294 1.00 25.00 H new ATOM 0 HB2 LYS A 605 -9.966 2.934 -22.420 1.00 25.00 H new ATOM 0 HB3 LYS A 605 -10.312 1.777 -23.690 1.00 25.00 H new ATOM 0 HG2 LYS A 605 -11.335 0.785 -21.881 1.00 25.00 H new ATOM 0 HG3 LYS A 605 -9.786 -0.034 -21.888 1.00 25.00 H new ATOM 0 HD2 LYS A 605 -10.548 0.627 -19.604 1.00 25.00 H new ATOM 0 HD3 LYS A 605 -8.977 1.279 -20.027 1.00 25.00 H new ATOM 0 HE2 LYS A 605 -10.487 2.887 -18.823 1.00 25.00 H new ATOM 0 HE3 LYS A 605 -9.844 3.481 -20.341 1.00 25.00 H new ATOM 0 HZ1 LYS A 605 -12.345 3.827 -19.705 1.00 25.00 H new ATOM 0 HZ2 LYS A 605 -11.903 3.525 -21.316 1.00 25.00 H new ATOM 0 HZ3 LYS A 605 -12.535 2.272 -20.360 1.00 25.00 H new ATOM 177 N LEU A 606 -8.360 2.260 -25.508 1.00 25.00 N ATOM 178 CA LEU A 606 -8.314 3.094 -26.695 1.00 25.00 C ATOM 179 C LEU A 606 -9.414 2.657 -27.644 1.00 25.00 C ATOM 180 O LEU A 606 -9.557 1.480 -27.933 1.00 25.00 O ATOM 181 CB LEU A 606 -6.931 3.017 -27.370 1.00 25.00 C ATOM 182 CG LEU A 606 -6.624 4.019 -28.507 1.00 25.00 C ATOM 183 CD1 LEU A 606 -7.123 3.519 -29.866 1.00 25.00 C ATOM 184 CD2 LEU A 606 -7.201 5.420 -28.208 1.00 25.00 C ATOM 0 H LEU A 606 -8.665 1.300 -25.671 1.00 25.00 H new ATOM 0 HA LEU A 606 -8.475 4.135 -26.415 1.00 25.00 H new ATOM 0 HB2 LEU A 606 -6.174 3.146 -26.597 1.00 25.00 H new ATOM 0 HB3 LEU A 606 -6.810 2.010 -27.770 1.00 25.00 H new ATOM 0 HG LEU A 606 -5.538 4.100 -28.557 1.00 25.00 H new ATOM 0 HD11 LEU A 606 -6.885 4.255 -30.634 1.00 25.00 H new ATOM 0 HD12 LEU A 606 -6.637 2.574 -30.107 1.00 25.00 H new ATOM 0 HD13 LEU A 606 -8.202 3.372 -29.826 1.00 25.00 H new ATOM 0 HD21 LEU A 606 -6.964 6.094 -29.031 1.00 25.00 H new ATOM 0 HD22 LEU A 606 -8.283 5.351 -28.096 1.00 25.00 H new ATOM 0 HD23 LEU A 606 -6.764 5.804 -27.286 1.00 25.00 H new ATOM 196 N GLU A 607 -10.188 3.627 -28.109 1.00 25.00 N ATOM 197 CA GLU A 607 -11.262 3.386 -29.077 1.00 25.00 C ATOM 198 C GLU A 607 -11.020 4.180 -30.362 1.00 25.00 C ATOM 199 O GLU A 607 -11.471 3.790 -31.422 1.00 25.00 O ATOM 200 CB GLU A 607 -12.598 3.803 -28.473 1.00 25.00 C ATOM 201 CG GLU A 607 -13.068 2.898 -27.346 1.00 25.00 C ATOM 202 CD GLU A 607 -14.359 3.399 -26.725 1.00 25.00 C ATOM 203 OE1 GLU A 607 -14.811 2.810 -25.724 1.00 25.00 O ATOM 204 OE2 GLU A 607 -14.909 4.404 -27.229 1.00 25.00 O ATOM 0 H GLU A 607 -10.094 4.604 -27.830 1.00 25.00 H new ATOM 0 HA GLU A 607 -11.278 2.323 -29.318 1.00 25.00 H new ATOM 0 HB2 GLU A 607 -12.514 4.823 -28.097 1.00 25.00 H new ATOM 0 HB3 GLU A 607 -13.354 3.814 -29.258 1.00 25.00 H new ATOM 0 HG2 GLU A 607 -13.216 1.888 -27.728 1.00 25.00 H new ATOM 0 HG3 GLU A 607 -12.295 2.839 -26.580 1.00 25.00 H new ATOM 211 N GLY A 608 -10.296 5.291 -30.255 1.00 25.00 N ATOM 212 CA GLY A 608 -10.000 6.109 -31.426 1.00 25.00 C ATOM 213 C GLY A 608 -11.252 6.739 -32.004 1.00 25.00 C ATOM 214 O GLY A 608 -11.506 6.647 -33.199 1.00 25.00 O ATOM 0 H GLY A 608 -9.908 5.642 -29.380 1.00 25.00 H new ATOM 0 HA2 GLY A 608 -9.292 6.892 -31.153 1.00 25.00 H new ATOM 0 HA3 GLY A 608 -9.518 5.494 -32.186 1.00 25.00 H new ATOM 218 N GLN A 609 -12.045 7.372 -31.150 1.00 25.00 N ATOM 219 CA GLN A 609 -13.310 7.956 -31.582 1.00 25.00 C ATOM 220 C GLN A 609 -12.975 9.199 -32.386 1.00 25.00 C ATOM 221 O GLN A 609 -12.360 10.139 -31.870 1.00 25.00 O ATOM 222 CB GLN A 609 -14.191 8.317 -30.382 1.00 25.00 C ATOM 223 CG GLN A 609 -14.739 7.120 -29.591 1.00 25.00 C ATOM 224 CD GLN A 609 -15.719 6.287 -30.364 1.00 25.00 C ATOM 225 OE1 GLN A 609 -16.265 6.692 -31.377 1.00 25.00 O ATOM 226 NE2 GLN A 609 -15.949 5.118 -29.874 1.00 25.00 N ATOM 0 H GLN A 609 -11.837 7.495 -30.159 1.00 25.00 H new ATOM 0 HA GLN A 609 -13.871 7.240 -32.183 1.00 25.00 H new ATOM 0 HB2 GLN A 609 -13.614 8.947 -29.704 1.00 25.00 H new ATOM 0 HB3 GLN A 609 -15.031 8.915 -30.735 1.00 25.00 H new ATOM 0 HG2 GLN A 609 -13.906 6.490 -29.278 1.00 25.00 H new ATOM 0 HG3 GLN A 609 -15.221 7.485 -28.684 1.00 25.00 H new ATOM 0 HE21 GLN A 609 -15.471 4.818 -29.024 1.00 25.00 H new ATOM 0 HE22 GLN A 609 -16.609 4.492 -30.336 1.00 25.00 H new ATOM 235 N MET A 610 -13.358 9.182 -33.653 1.00 25.00 N ATOM 236 CA MET A 610 -13.002 10.233 -34.598 1.00 25.00 C ATOM 237 C MET A 610 -13.387 11.624 -34.122 1.00 25.00 C ATOM 238 O MET A 610 -14.496 11.858 -33.637 1.00 25.00 O ATOM 239 CB MET A 610 -13.674 9.979 -35.953 1.00 25.00 C ATOM 240 CG MET A 610 -13.396 8.598 -36.553 1.00 25.00 C ATOM 241 SD MET A 610 -14.500 7.297 -35.928 1.00 25.00 S ATOM 242 CE MET A 610 -16.062 7.688 -36.770 1.00 25.00 C ATOM 0 H MET A 610 -13.926 8.438 -34.058 1.00 25.00 H new ATOM 0 HA MET A 610 -11.916 10.200 -34.689 1.00 25.00 H new ATOM 0 HB2 MET A 610 -14.751 10.101 -35.838 1.00 25.00 H new ATOM 0 HB3 MET A 610 -13.341 10.741 -36.658 1.00 25.00 H new ATOM 0 HG2 MET A 610 -13.494 8.656 -37.637 1.00 25.00 H new ATOM 0 HG3 MET A 610 -12.364 8.320 -36.340 1.00 25.00 H new ATOM 0 HE1 MET A 610 -16.771 6.874 -36.619 1.00 25.00 H new ATOM 0 HE2 MET A 610 -16.475 8.610 -36.360 1.00 25.00 H new ATOM 0 HE3 MET A 610 -15.878 7.816 -37.837 1.00 25.00 H new ATOM 252 N GLY A 611 -12.460 12.554 -34.278 1.00 25.00 N ATOM 253 CA GLY A 611 -12.723 13.932 -33.932 1.00 25.00 C ATOM 254 C GLY A 611 -13.324 14.661 -35.107 1.00 25.00 C ATOM 255 O GLY A 611 -12.630 15.369 -35.833 1.00 25.00 O ATOM 0 H GLY A 611 -11.523 12.377 -34.641 1.00 25.00 H new ATOM 0 HA2 GLY A 611 -13.403 13.977 -33.081 1.00 25.00 H new ATOM 0 HA3 GLY A 611 -11.798 14.420 -33.627 1.00 25.00 H new ATOM 259 N GLU A 612 -14.624 14.487 -35.287 1.00 25.00 N ATOM 260 CA GLU A 612 -15.376 15.151 -36.357 1.00 25.00 C ATOM 261 C GLU A 612 -15.390 16.669 -36.111 1.00 25.00 C ATOM 262 O GLU A 612 -15.732 17.459 -36.978 1.00 25.00 O ATOM 263 CB GLU A 612 -16.796 14.574 -36.395 1.00 25.00 C ATOM 264 CG GLU A 612 -17.558 14.849 -37.686 1.00 25.00 C ATOM 265 CD GLU A 612 -18.836 14.026 -37.776 1.00 25.00 C ATOM 266 OE1 GLU A 612 -19.935 14.618 -37.819 1.00 25.00 O ATOM 267 OE2 GLU A 612 -18.734 12.778 -37.794 1.00 25.00 O ATOM 0 H GLU A 612 -15.195 13.881 -34.697 1.00 25.00 H new ATOM 0 HA GLU A 612 -14.904 14.974 -37.323 1.00 25.00 H new ATOM 0 HB2 GLU A 612 -16.740 13.496 -36.244 1.00 25.00 H new ATOM 0 HB3 GLU A 612 -17.363 14.984 -35.559 1.00 25.00 H new ATOM 0 HG2 GLU A 612 -17.804 15.909 -37.744 1.00 25.00 H new ATOM 0 HG3 GLU A 612 -16.919 14.623 -38.540 1.00 25.00 H new ATOM 274 N ASP A 613 -14.967 17.047 -34.910 1.00 25.00 N ATOM 275 CA ASP A 613 -14.810 18.444 -34.503 1.00 25.00 C ATOM 276 C ASP A 613 -13.778 19.148 -35.388 1.00 25.00 C ATOM 277 O ASP A 613 -13.780 20.369 -35.520 1.00 25.00 O ATOM 278 CB ASP A 613 -14.287 18.514 -33.056 1.00 25.00 C ATOM 279 CG ASP A 613 -14.743 17.343 -32.197 1.00 25.00 C ATOM 280 OD1 ASP A 613 -14.122 16.255 -32.300 1.00 25.00 O ATOM 281 OD2 ASP A 613 -15.698 17.481 -31.408 1.00 25.00 O ATOM 0 H ASP A 613 -14.719 16.382 -34.177 1.00 25.00 H new ATOM 0 HA ASP A 613 -15.783 18.926 -34.592 1.00 25.00 H new ATOM 0 HB2 ASP A 613 -13.197 18.543 -33.071 1.00 25.00 H new ATOM 0 HB3 ASP A 613 -14.624 19.444 -32.599 1.00 25.00 H new ATOM 286 N GLY A 614 -12.887 18.354 -35.972 1.00 25.00 N ATOM 287 CA GLY A 614 -11.810 18.878 -36.793 1.00 25.00 C ATOM 288 C GLY A 614 -10.621 19.286 -35.943 1.00 25.00 C ATOM 289 O GLY A 614 -10.784 19.827 -34.847 1.00 25.00 O ATOM 0 H GLY A 614 -12.893 17.337 -35.889 1.00 25.00 H new ATOM 0 HA2 GLY A 614 -11.501 18.124 -37.517 1.00 25.00 H new ATOM 0 HA3 GLY A 614 -12.167 19.738 -37.360 1.00 25.00 H new ATOM 293 N ASN A 615 -9.414 19.013 -36.444 1.00 25.00 N ATOM 294 CA ASN A 615 -8.158 19.372 -35.760 1.00 25.00 C ATOM 295 C ASN A 615 -8.101 18.791 -34.325 1.00 25.00 C ATOM 296 O ASN A 615 -7.369 19.300 -33.466 1.00 25.00 O ATOM 297 CB ASN A 615 -8.032 20.914 -35.748 1.00 25.00 C ATOM 298 CG ASN A 615 -6.608 21.399 -35.882 1.00 25.00 C ATOM 299 OD1 ASN A 615 -6.236 21.978 -36.885 1.00 25.00 O ATOM 300 ND2 ASN A 615 -5.820 21.180 -34.879 1.00 25.00 N ATOM 0 H ASN A 615 -9.274 18.537 -37.335 1.00 25.00 H new ATOM 0 HA ASN A 615 -7.316 18.938 -36.300 1.00 25.00 H new ATOM 0 HB2 ASN A 615 -8.627 21.326 -36.563 1.00 25.00 H new ATOM 0 HB3 ASN A 615 -8.453 21.299 -34.819 1.00 25.00 H new ATOM 0 HD21 ASN A 615 -4.851 21.497 -34.913 1.00 25.00 H new ATOM 0 HD22 ASN A 615 -6.168 20.691 -34.054 1.00 25.00 H new ATOM 307 N SER A 616 -8.892 17.748 -34.076 1.00 25.00 N ATOM 308 CA SER A 616 -9.051 17.163 -32.743 1.00 25.00 C ATOM 309 C SER A 616 -9.373 15.663 -32.799 1.00 25.00 C ATOM 310 O SER A 616 -9.661 15.146 -33.872 1.00 25.00 O ATOM 311 CB SER A 616 -10.217 17.874 -32.049 1.00 25.00 C ATOM 312 OG SER A 616 -10.087 19.285 -32.124 1.00 25.00 O ATOM 0 H SER A 616 -9.444 17.282 -34.796 1.00 25.00 H new ATOM 0 HA SER A 616 -8.111 17.287 -32.205 1.00 25.00 H new ATOM 0 HB2 SER A 616 -11.156 17.569 -32.511 1.00 25.00 H new ATOM 0 HB3 SER A 616 -10.261 17.567 -31.004 1.00 25.00 H new ATOM 0 HG SER A 616 -10.335 19.589 -33.022 1.00 25.00 H new ATOM 318 N ILE A 617 -9.343 14.983 -31.650 1.00 25.00 N ATOM 319 CA ILE A 617 -9.765 13.567 -31.536 1.00 25.00 C ATOM 320 C ILE A 617 -10.093 13.222 -30.070 1.00 25.00 C ATOM 321 O ILE A 617 -9.593 13.875 -29.149 1.00 25.00 O ATOM 322 CB ILE A 617 -8.679 12.580 -32.094 1.00 25.00 C ATOM 323 CG1 ILE A 617 -9.276 11.165 -32.252 1.00 25.00 C ATOM 324 CG2 ILE A 617 -7.416 12.553 -31.204 1.00 25.00 C ATOM 325 CD1 ILE A 617 -8.726 10.374 -33.394 1.00 25.00 C ATOM 0 H ILE A 617 -9.028 15.389 -30.769 1.00 25.00 H new ATOM 0 HA ILE A 617 -10.661 13.446 -32.145 1.00 25.00 H new ATOM 0 HB ILE A 617 -8.370 12.941 -33.075 1.00 25.00 H new ATOM 0 HG12 ILE A 617 -9.106 10.610 -31.329 1.00 25.00 H new ATOM 0 HG13 ILE A 617 -10.355 11.254 -32.377 1.00 25.00 H new ATOM 0 HG21 ILE A 617 -6.689 11.858 -31.625 1.00 25.00 H new ATOM 0 HG22 ILE A 617 -6.980 13.551 -31.160 1.00 25.00 H new ATOM 0 HG23 ILE A 617 -7.686 12.231 -30.198 1.00 25.00 H new ATOM 0 HD11 ILE A 617 -9.206 9.396 -33.423 1.00 25.00 H new ATOM 0 HD12 ILE A 617 -8.919 10.901 -34.328 1.00 25.00 H new ATOM 0 HD13 ILE A 617 -7.651 10.247 -33.265 1.00 25.00 H new ATOM 337 N LYS A 618 -10.916 12.197 -29.852 1.00 25.00 N ATOM 338 CA LYS A 618 -11.267 11.742 -28.502 1.00 25.00 C ATOM 339 C LYS A 618 -10.583 10.393 -28.255 1.00 25.00 C ATOM 340 O LYS A 618 -10.756 9.459 -29.038 1.00 25.00 O ATOM 341 CB LYS A 618 -12.789 11.544 -28.361 1.00 25.00 C ATOM 342 CG LYS A 618 -13.684 12.711 -28.813 1.00 25.00 C ATOM 343 CD LYS A 618 -14.172 12.554 -30.270 1.00 25.00 C ATOM 344 CE LYS A 618 -15.515 13.259 -30.522 1.00 25.00 C ATOM 345 NZ LYS A 618 -15.464 14.748 -30.326 1.00 25.00 N ATOM 0 H LYS A 618 -11.357 11.660 -30.599 1.00 25.00 H new ATOM 0 HA LYS A 618 -10.942 12.494 -27.783 1.00 25.00 H new ATOM 0 HB2 LYS A 618 -13.071 10.659 -28.931 1.00 25.00 H new ATOM 0 HB3 LYS A 618 -13.009 11.333 -27.315 1.00 25.00 H new ATOM 0 HG2 LYS A 618 -14.546 12.781 -28.150 1.00 25.00 H new ATOM 0 HG3 LYS A 618 -13.132 13.646 -28.717 1.00 25.00 H new ATOM 0 HD2 LYS A 618 -13.420 12.960 -30.947 1.00 25.00 H new ATOM 0 HD3 LYS A 618 -14.273 11.494 -30.504 1.00 25.00 H new ATOM 0 HE2 LYS A 618 -15.841 13.047 -31.540 1.00 25.00 H new ATOM 0 HE3 LYS A 618 -16.266 12.839 -29.853 1.00 25.00 H new ATOM 0 HZ1 LYS A 618 -16.407 15.153 -30.496 1.00 25.00 H new ATOM 0 HZ2 LYS A 618 -15.167 14.960 -29.352 1.00 25.00 H new ATOM 0 HZ3 LYS A 618 -14.783 15.163 -30.994 1.00 25.00 H new ATOM 359 N VAL A 619 -9.822 10.272 -27.176 1.00 25.00 N ATOM 360 CA VAL A 619 -9.171 8.994 -26.840 1.00 25.00 C ATOM 361 C VAL A 619 -9.639 8.586 -25.438 1.00 25.00 C ATOM 362 O VAL A 619 -9.849 9.427 -24.565 1.00 25.00 O ATOM 363 CB VAL A 619 -7.589 9.045 -27.019 1.00 25.00 C ATOM 364 CG1 VAL A 619 -7.105 10.474 -27.331 1.00 25.00 C ATOM 365 CG2 VAL A 619 -6.839 8.477 -25.799 1.00 25.00 C ATOM 0 H VAL A 619 -9.636 11.029 -26.519 1.00 25.00 H new ATOM 0 HA VAL A 619 -9.472 8.218 -27.543 1.00 25.00 H new ATOM 0 HB VAL A 619 -7.356 8.406 -27.871 1.00 25.00 H new ATOM 0 HG11 VAL A 619 -6.021 10.474 -27.447 1.00 25.00 H new ATOM 0 HG12 VAL A 619 -7.569 10.822 -28.254 1.00 25.00 H new ATOM 0 HG13 VAL A 619 -7.382 11.139 -26.513 1.00 25.00 H new ATOM 0 HG21 VAL A 619 -5.765 8.535 -25.973 1.00 25.00 H new ATOM 0 HG22 VAL A 619 -7.095 9.057 -24.912 1.00 25.00 H new ATOM 0 HG23 VAL A 619 -7.126 7.436 -25.648 1.00 25.00 H new ATOM 375 N ASN A 620 -9.833 7.286 -25.260 1.00 25.00 N ATOM 376 CA ASN A 620 -10.356 6.708 -24.025 1.00 25.00 C ATOM 377 C ASN A 620 -9.408 6.775 -22.828 1.00 25.00 C ATOM 378 O ASN A 620 -8.205 6.588 -22.970 1.00 25.00 O ATOM 379 CB ASN A 620 -10.636 5.242 -24.290 1.00 25.00 C ATOM 380 CG ASN A 620 -12.036 4.869 -24.000 1.00 25.00 C ATOM 381 OD1 ASN A 620 -12.325 4.229 -22.998 1.00 25.00 O ATOM 382 ND2 ASN A 620 -12.913 5.251 -24.870 1.00 25.00 N ATOM 0 H ASN A 620 -9.629 6.592 -25.979 1.00 25.00 H new ATOM 0 HA ASN A 620 -11.237 7.293 -23.762 1.00 25.00 H new ATOM 0 HB2 ASN A 620 -10.412 5.016 -25.333 1.00 25.00 H new ATOM 0 HB3 ASN A 620 -9.968 4.633 -23.681 1.00 25.00 H new ATOM 0 HD21 ASN A 620 -13.898 5.020 -24.737 1.00 25.00 H new ATOM 0 HD22 ASN A 620 -12.620 5.783 -25.689 1.00 25.00 H new ATOM 389 N LEU A 621 -9.964 7.035 -21.652 1.00 25.00 N ATOM 390 CA LEU A 621 -9.197 7.088 -20.413 1.00 25.00 C ATOM 391 C LEU A 621 -9.726 6.175 -19.297 1.00 25.00 C ATOM 392 O LEU A 621 -10.906 5.835 -19.245 1.00 25.00 O ATOM 393 CB LEU A 621 -9.048 8.526 -19.944 1.00 25.00 C ATOM 394 CG LEU A 621 -7.665 8.890 -19.397 1.00 25.00 C ATOM 395 CD1 LEU A 621 -6.540 8.739 -20.426 1.00 25.00 C ATOM 396 CD2 LEU A 621 -7.734 10.343 -18.945 1.00 25.00 C ATOM 0 H LEU A 621 -10.960 7.215 -21.529 1.00 25.00 H new ATOM 0 HA LEU A 621 -8.212 6.686 -20.650 1.00 25.00 H new ATOM 0 HB2 LEU A 621 -9.278 9.190 -20.778 1.00 25.00 H new ATOM 0 HB3 LEU A 621 -9.790 8.718 -19.169 1.00 25.00 H new ATOM 0 HG LEU A 621 -7.427 8.204 -18.584 1.00 25.00 H new ATOM 0 HD11 LEU A 621 -5.589 9.014 -19.969 1.00 25.00 H new ATOM 0 HD12 LEU A 621 -6.494 7.704 -20.765 1.00 25.00 H new ATOM 0 HD13 LEU A 621 -6.735 9.391 -21.277 1.00 25.00 H new ATOM 0 HD21 LEU A 621 -6.766 10.646 -18.546 1.00 25.00 H new ATOM 0 HD22 LEU A 621 -7.991 10.976 -19.794 1.00 25.00 H new ATOM 0 HD23 LEU A 621 -8.494 10.448 -18.171 1.00 25.00 H new ATOM 408 N ILE A 622 -8.824 5.754 -18.424 1.00 25.00 N ATOM 409 CA ILE A 622 -9.167 4.945 -17.249 1.00 25.00 C ATOM 410 C ILE A 622 -10.128 5.741 -16.354 1.00 25.00 C ATOM 411 O ILE A 622 -9.917 6.912 -16.110 1.00 25.00 O ATOM 412 CB ILE A 622 -7.871 4.628 -16.473 1.00 25.00 C ATOM 413 CG1 ILE A 622 -7.062 3.559 -17.215 1.00 25.00 C ATOM 414 CG2 ILE A 622 -8.129 4.156 -15.059 1.00 25.00 C ATOM 415 CD1 ILE A 622 -5.640 3.924 -17.381 1.00 25.00 C ATOM 0 H ILE A 622 -7.828 5.961 -18.505 1.00 25.00 H new ATOM 0 HA ILE A 622 -9.648 4.016 -17.555 1.00 25.00 H new ATOM 0 HB ILE A 622 -7.311 5.561 -16.412 1.00 25.00 H new ATOM 0 HG12 ILE A 622 -7.129 2.617 -16.670 1.00 25.00 H new ATOM 0 HG13 ILE A 622 -7.506 3.391 -18.196 1.00 25.00 H new ATOM 0 HG21 ILE A 622 -7.179 3.949 -14.565 1.00 25.00 H new ATOM 0 HG22 ILE A 622 -8.663 4.931 -14.509 1.00 25.00 H new ATOM 0 HG23 ILE A 622 -8.731 3.248 -15.083 1.00 25.00 H new ATOM 0 HD11 ILE A 622 -5.120 3.128 -17.913 1.00 25.00 H new ATOM 0 HD12 ILE A 622 -5.566 4.850 -17.951 1.00 25.00 H new ATOM 0 HD13 ILE A 622 -5.183 4.064 -16.401 1.00 25.00 H new ATOM 427 N LYS A 623 -11.183 5.093 -15.867 1.00 25.00 N ATOM 428 CA LYS A 623 -12.150 5.745 -14.970 1.00 25.00 C ATOM 429 C LYS A 623 -12.325 5.063 -13.605 1.00 25.00 C ATOM 430 O LYS A 623 -13.280 5.337 -12.885 1.00 25.00 O ATOM 431 CB LYS A 623 -13.491 5.981 -15.693 1.00 25.00 C ATOM 432 CG LYS A 623 -14.189 4.739 -16.278 1.00 25.00 C ATOM 433 CD LYS A 623 -14.992 3.978 -15.244 1.00 25.00 C ATOM 434 CE LYS A 623 -15.685 2.808 -15.888 1.00 25.00 C ATOM 435 NZ LYS A 623 -16.175 1.858 -14.840 1.00 25.00 N ATOM 0 H LYS A 623 -11.395 4.117 -16.075 1.00 25.00 H new ATOM 0 HA LYS A 623 -11.719 6.714 -14.719 1.00 25.00 H new ATOM 0 HB2 LYS A 623 -14.176 6.458 -14.992 1.00 25.00 H new ATOM 0 HB3 LYS A 623 -13.320 6.689 -16.504 1.00 25.00 H new ATOM 0 HG2 LYS A 623 -14.848 5.047 -17.090 1.00 25.00 H new ATOM 0 HG3 LYS A 623 -13.439 4.076 -16.710 1.00 25.00 H new ATOM 0 HD2 LYS A 623 -14.336 3.628 -14.447 1.00 25.00 H new ATOM 0 HD3 LYS A 623 -15.727 4.639 -14.785 1.00 25.00 H new ATOM 0 HE2 LYS A 623 -16.522 3.159 -16.492 1.00 25.00 H new ATOM 0 HE3 LYS A 623 -14.999 2.295 -16.562 1.00 25.00 H new ATOM 0 HZ1 LYS A 623 -16.652 1.054 -15.296 1.00 25.00 H new ATOM 0 HZ2 LYS A 623 -15.369 1.511 -14.282 1.00 25.00 H new ATOM 0 HZ3 LYS A 623 -16.845 2.348 -14.213 1.00 25.00 H new ATOM 449 N GLN A 624 -11.424 4.155 -13.265 1.00 25.00 N ATOM 450 CA GLN A 624 -11.512 3.389 -12.019 1.00 25.00 C ATOM 451 C GLN A 624 -10.098 3.031 -11.586 1.00 25.00 C ATOM 452 O GLN A 624 -9.156 3.327 -12.302 1.00 25.00 O ATOM 453 CB GLN A 624 -12.343 2.105 -12.223 1.00 25.00 C ATOM 454 CG GLN A 624 -11.712 1.047 -13.155 1.00 25.00 C ATOM 455 CD GLN A 624 -11.820 1.399 -14.620 1.00 25.00 C ATOM 456 OE1 GLN A 624 -12.906 1.421 -15.192 1.00 25.00 O ATOM 457 NE2 GLN A 624 -10.709 1.678 -15.239 1.00 25.00 N ATOM 0 H GLN A 624 -10.612 3.924 -13.838 1.00 25.00 H new ATOM 0 HA GLN A 624 -12.007 3.987 -11.253 1.00 25.00 H new ATOM 0 HB2 GLN A 624 -12.519 1.648 -11.249 1.00 25.00 H new ATOM 0 HB3 GLN A 624 -13.317 2.383 -12.625 1.00 25.00 H new ATOM 0 HG2 GLN A 624 -10.661 0.925 -12.895 1.00 25.00 H new ATOM 0 HG3 GLN A 624 -12.197 0.086 -12.983 1.00 25.00 H new ATOM 0 HE21 GLN A 624 -9.823 1.650 -14.734 1.00 25.00 H new ATOM 0 HE22 GLN A 624 -10.725 1.924 -16.229 1.00 25.00 H new ATOM 466 N ASP A 625 -9.938 2.387 -10.444 1.00 25.00 N ATOM 467 CA ASP A 625 -8.625 1.910 -10.035 1.00 25.00 C ATOM 468 C ASP A 625 -8.368 0.615 -10.808 1.00 25.00 C ATOM 469 O ASP A 625 -9.263 -0.199 -10.987 1.00 25.00 O ATOM 470 CB ASP A 625 -8.565 1.665 -8.523 1.00 25.00 C ATOM 471 CG ASP A 625 -9.589 0.653 -8.046 1.00 25.00 C ATOM 472 OD1 ASP A 625 -10.809 0.912 -8.186 1.00 25.00 O ATOM 473 OD2 ASP A 625 -9.169 -0.392 -7.514 1.00 25.00 O ATOM 0 H ASP A 625 -10.691 2.183 -9.787 1.00 25.00 H new ATOM 0 HA ASP A 625 -7.861 2.656 -10.255 1.00 25.00 H new ATOM 0 HB2 ASP A 625 -7.567 1.317 -8.256 1.00 25.00 H new ATOM 0 HB3 ASP A 625 -8.724 2.609 -8.001 1.00 25.00 H new ATOM 478 N ASP A 626 -7.145 0.442 -11.286 1.00 25.00 N ATOM 479 CA ASP A 626 -6.798 -0.727 -12.104 1.00 25.00 C ATOM 480 C ASP A 626 -5.939 -1.717 -11.333 1.00 25.00 C ATOM 481 O ASP A 626 -5.375 -2.657 -11.902 1.00 25.00 O ATOM 482 CB ASP A 626 -5.990 -0.294 -13.315 1.00 25.00 C ATOM 483 CG ASP A 626 -6.713 0.711 -14.182 1.00 25.00 C ATOM 484 OD1 ASP A 626 -6.040 1.682 -14.561 1.00 25.00 O ATOM 485 OD2 ASP A 626 -7.916 0.548 -14.497 1.00 25.00 O ATOM 0 H ASP A 626 -6.373 1.090 -11.126 1.00 25.00 H new ATOM 0 HA ASP A 626 -7.738 -1.197 -12.395 1.00 25.00 H new ATOM 0 HB2 ASP A 626 -5.047 0.137 -12.980 1.00 25.00 H new ATOM 0 HB3 ASP A 626 -5.745 -1.171 -13.913 1.00 25.00 H new ATOM 490 N GLY A 627 -5.805 -1.496 -10.039 1.00 25.00 N ATOM 491 CA GLY A 627 -4.936 -2.349 -9.251 1.00 25.00 C ATOM 492 C GLY A 627 -5.086 -2.227 -7.754 1.00 25.00 C ATOM 493 O GLY A 627 -6.076 -2.647 -7.191 1.00 25.00 O ATOM 0 H GLY A 627 -6.274 -0.753 -9.521 1.00 25.00 H new ATOM 0 HA2 GLY A 627 -5.120 -3.385 -9.533 1.00 25.00 H new ATOM 0 HA3 GLY A 627 -3.902 -2.126 -9.514 1.00 25.00 H new ATOM 497 N GLY A 628 -4.073 -1.667 -7.108 1.00 25.00 N ATOM 498 CA GLY A 628 -4.085 -1.560 -5.654 1.00 25.00 C ATOM 499 C GLY A 628 -4.351 -0.165 -5.121 1.00 25.00 C ATOM 500 O GLY A 628 -4.407 0.036 -3.914 1.00 25.00 O ATOM 0 H GLY A 628 -3.242 -1.284 -7.559 1.00 25.00 H new ATOM 0 HA2 GLY A 628 -4.845 -2.235 -5.260 1.00 25.00 H new ATOM 0 HA3 GLY A 628 -3.124 -1.903 -5.271 1.00 25.00 H new ATOM 504 N SER A 629 -4.500 0.804 -6.012 1.00 25.00 N ATOM 505 CA SER A 629 -4.777 2.181 -5.616 1.00 25.00 C ATOM 506 C SER A 629 -5.351 2.899 -6.823 1.00 25.00 C ATOM 507 O SER A 629 -5.094 2.482 -7.964 1.00 25.00 O ATOM 508 CB SER A 629 -3.492 2.899 -5.177 1.00 25.00 C ATOM 509 OG SER A 629 -2.607 3.085 -6.274 1.00 25.00 O ATOM 0 H SER A 629 -4.434 0.663 -7.020 1.00 25.00 H new ATOM 0 HA SER A 629 -5.473 2.184 -4.777 1.00 25.00 H new ATOM 0 HB2 SER A 629 -3.743 3.866 -4.741 1.00 25.00 H new ATOM 0 HB3 SER A 629 -2.995 2.318 -4.400 1.00 25.00 H new ATOM 0 HG SER A 629 -1.798 3.545 -5.967 1.00 25.00 H new ATOM 515 N PRO A 630 -6.107 3.989 -6.608 1.00 25.00 N ATOM 516 CA PRO A 630 -6.568 4.713 -7.793 1.00 25.00 C ATOM 517 C PRO A 630 -5.423 5.431 -8.490 1.00 25.00 C ATOM 518 O PRO A 630 -4.324 5.589 -7.935 1.00 25.00 O ATOM 519 CB PRO A 630 -7.576 5.709 -7.212 1.00 25.00 C ATOM 520 CG PRO A 630 -7.064 5.983 -5.853 1.00 25.00 C ATOM 521 CD PRO A 630 -6.572 4.643 -5.368 1.00 25.00 C ATOM 0 HA PRO A 630 -6.995 4.060 -8.554 1.00 25.00 H new ATOM 0 HB2 PRO A 630 -7.628 6.619 -7.810 1.00 25.00 H new ATOM 0 HB3 PRO A 630 -8.581 5.289 -7.183 1.00 25.00 H new ATOM 0 HG2 PRO A 630 -6.261 6.720 -5.871 1.00 25.00 H new ATOM 0 HG3 PRO A 630 -7.846 6.379 -5.205 1.00 25.00 H new ATOM 0 HD2 PRO A 630 -5.767 4.748 -4.641 1.00 25.00 H new ATOM 0 HD3 PRO A 630 -7.365 4.073 -4.885 1.00 25.00 H new ATOM 529 N ILE A 631 -5.684 5.852 -9.715 1.00 25.00 N ATOM 530 CA ILE A 631 -4.716 6.596 -10.510 1.00 25.00 C ATOM 531 C ILE A 631 -4.560 7.956 -9.810 1.00 25.00 C ATOM 532 O ILE A 631 -5.475 8.413 -9.131 1.00 25.00 O ATOM 533 CB ILE A 631 -5.229 6.732 -12.005 1.00 25.00 C ATOM 534 CG1 ILE A 631 -4.854 5.485 -12.846 1.00 25.00 C ATOM 535 CG2 ILE A 631 -4.608 7.945 -12.709 1.00 25.00 C ATOM 536 CD1 ILE A 631 -5.350 4.157 -12.340 1.00 25.00 C ATOM 0 H ILE A 631 -6.572 5.689 -10.189 1.00 25.00 H new ATOM 0 HA ILE A 631 -3.750 6.095 -10.574 1.00 25.00 H new ATOM 0 HB ILE A 631 -6.311 6.843 -11.939 1.00 25.00 H new ATOM 0 HG12 ILE A 631 -5.236 5.628 -13.857 1.00 25.00 H new ATOM 0 HG13 ILE A 631 -3.767 5.438 -12.919 1.00 25.00 H new ATOM 0 HG21 ILE A 631 -4.984 8.004 -13.731 1.00 25.00 H new ATOM 0 HG22 ILE A 631 -4.875 8.854 -12.171 1.00 25.00 H new ATOM 0 HG23 ILE A 631 -3.523 7.839 -12.727 1.00 25.00 H new ATOM 0 HD11 ILE A 631 -5.022 3.365 -13.014 1.00 25.00 H new ATOM 0 HD12 ILE A 631 -4.948 3.974 -11.343 1.00 25.00 H new ATOM 0 HD13 ILE A 631 -6.439 4.168 -12.296 1.00 25.00 H new ATOM 548 N ARG A 632 -3.407 8.593 -9.972 1.00 25.00 N ATOM 549 CA ARG A 632 -3.168 9.931 -9.441 1.00 25.00 C ATOM 550 C ARG A 632 -3.286 10.936 -10.593 1.00 25.00 C ATOM 551 O ARG A 632 -4.019 11.917 -10.483 1.00 25.00 O ATOM 552 CB ARG A 632 -1.772 10.031 -8.811 1.00 25.00 C ATOM 553 CG ARG A 632 -1.720 9.723 -7.297 1.00 25.00 C ATOM 554 CD ARG A 632 -0.412 10.229 -6.686 1.00 25.00 C ATOM 555 NE ARG A 632 -0.275 11.693 -6.800 1.00 25.00 N ATOM 556 CZ ARG A 632 0.657 12.426 -6.203 1.00 25.00 C ATOM 557 NH1 ARG A 632 1.564 11.906 -5.413 1.00 25.00 N ATOM 558 NH2 ARG A 632 0.675 13.712 -6.412 1.00 25.00 N ATOM 0 H ARG A 632 -2.612 8.198 -10.474 1.00 25.00 H new ATOM 0 HA ARG A 632 -3.903 10.147 -8.666 1.00 25.00 H new ATOM 0 HB2 ARG A 632 -1.104 9.344 -9.330 1.00 25.00 H new ATOM 0 HB3 ARG A 632 -1.385 11.037 -8.976 1.00 25.00 H new ATOM 0 HG2 ARG A 632 -2.567 10.193 -6.796 1.00 25.00 H new ATOM 0 HG3 ARG A 632 -1.810 8.649 -7.136 1.00 25.00 H new ATOM 0 HD2 ARG A 632 -0.369 9.942 -5.635 1.00 25.00 H new ATOM 0 HD3 ARG A 632 0.430 9.747 -7.183 1.00 25.00 H new ATOM 0 HE ARG A 632 -0.952 12.182 -7.386 1.00 25.00 H new ATOM 0 HH11 ARG A 632 1.571 10.901 -5.237 1.00 25.00 H new ATOM 0 HH12 ARG A 632 2.263 12.506 -4.974 1.00 25.00 H new ATOM 0 HH21 ARG A 632 -0.019 14.139 -7.025 1.00 25.00 H new ATOM 0 HH22 ARG A 632 1.383 14.292 -5.962 1.00 25.00 H new ATOM 572 N HIS A 633 -2.574 10.687 -11.688 1.00 25.00 N ATOM 573 CA HIS A 633 -2.567 11.596 -12.847 1.00 25.00 C ATOM 574 C HIS A 633 -2.555 10.824 -14.173 1.00 25.00 C ATOM 575 O HIS A 633 -2.246 9.634 -14.199 1.00 25.00 O ATOM 576 CB HIS A 633 -1.300 12.476 -12.842 1.00 25.00 C ATOM 577 CG HIS A 633 -0.843 12.902 -11.478 1.00 25.00 C ATOM 578 ND1 HIS A 633 0.402 12.628 -10.972 1.00 25.00 N ATOM 579 CD2 HIS A 633 -1.473 13.609 -10.497 1.00 25.00 C ATOM 580 CE1 HIS A 633 0.488 13.151 -9.759 1.00 25.00 C ATOM 581 NE2 HIS A 633 -0.632 13.754 -9.406 1.00 25.00 N ATOM 0 H HIS A 633 -1.989 9.860 -11.804 1.00 25.00 H new ATOM 0 HA HIS A 633 -3.471 12.199 -12.766 1.00 25.00 H new ATOM 0 HB2 HIS A 633 -0.492 11.929 -13.328 1.00 25.00 H new ATOM 0 HB3 HIS A 633 -1.489 13.366 -13.442 1.00 25.00 H new ATOM 0 HD1 HIS A 633 1.138 12.108 -11.450 1.00 25.00 H new ATOM 0 HD2 HIS A 633 -2.478 13.998 -10.561 1.00 25.00 H new ATOM 0 HE1 HIS A 633 1.367 13.092 -9.134 1.00 25.00 H new ATOM 589 N TYR A 634 -2.850 11.512 -15.268 1.00 25.00 N ATOM 590 CA TYR A 634 -2.722 10.945 -16.615 1.00 25.00 C ATOM 591 C TYR A 634 -1.779 11.816 -17.406 1.00 25.00 C ATOM 592 O TYR A 634 -1.784 13.038 -17.244 1.00 25.00 O ATOM 593 CB TYR A 634 -4.058 10.904 -17.340 1.00 25.00 C ATOM 594 CG TYR A 634 -5.025 9.970 -16.693 1.00 25.00 C ATOM 595 CD1 TYR A 634 -6.147 10.462 -16.008 1.00 25.00 C ATOM 596 CD2 TYR A 634 -4.827 8.580 -16.754 1.00 25.00 C ATOM 597 CE1 TYR A 634 -7.047 9.581 -15.378 1.00 25.00 C ATOM 598 CE2 TYR A 634 -5.717 7.700 -16.107 1.00 25.00 C ATOM 599 CZ TYR A 634 -6.813 8.217 -15.410 1.00 25.00 C ATOM 600 OH TYR A 634 -7.659 7.388 -14.739 1.00 25.00 O ATOM 0 H TYR A 634 -3.184 12.476 -15.254 1.00 25.00 H new ATOM 0 HA TYR A 634 -2.351 9.924 -16.524 1.00 25.00 H new ATOM 0 HB2 TYR A 634 -4.486 11.906 -17.365 1.00 25.00 H new ATOM 0 HB3 TYR A 634 -3.898 10.599 -18.374 1.00 25.00 H new ATOM 0 HD1 TYR A 634 -6.322 11.527 -15.964 1.00 25.00 H new ATOM 0 HD2 TYR A 634 -3.985 8.183 -17.302 1.00 25.00 H new ATOM 0 HE1 TYR A 634 -7.918 9.969 -14.871 1.00 25.00 H new ATOM 0 HE2 TYR A 634 -5.554 6.633 -16.149 1.00 25.00 H new ATOM 0 HH TYR A 634 -8.517 7.344 -15.211 1.00 25.00 H new ATOM 610 N LEU A 635 -0.974 11.184 -18.246 1.00 25.00 N ATOM 611 CA LEU A 635 -0.002 11.888 -19.066 1.00 25.00 C ATOM 612 C LEU A 635 -0.173 11.428 -20.515 1.00 25.00 C ATOM 613 O LEU A 635 -0.145 10.226 -20.795 1.00 25.00 O ATOM 614 CB LEU A 635 1.432 11.591 -18.580 1.00 25.00 C ATOM 615 CG LEU A 635 1.776 11.900 -17.103 1.00 25.00 C ATOM 616 CD1 LEU A 635 1.589 10.664 -16.190 1.00 25.00 C ATOM 617 CD2 LEU A 635 3.226 12.363 -16.999 1.00 25.00 C ATOM 0 H LEU A 635 -0.976 10.173 -18.378 1.00 25.00 H new ATOM 0 HA LEU A 635 -0.166 12.963 -18.991 1.00 25.00 H new ATOM 0 HB2 LEU A 635 1.632 10.534 -18.756 1.00 25.00 H new ATOM 0 HB3 LEU A 635 2.121 12.155 -19.209 1.00 25.00 H new ATOM 0 HG LEU A 635 1.093 12.681 -16.770 1.00 25.00 H new ATOM 0 HD11 LEU A 635 1.842 10.928 -15.163 1.00 25.00 H new ATOM 0 HD12 LEU A 635 0.552 10.333 -16.234 1.00 25.00 H new ATOM 0 HD13 LEU A 635 2.242 9.859 -16.529 1.00 25.00 H new ATOM 0 HD21 LEU A 635 3.465 12.580 -15.958 1.00 25.00 H new ATOM 0 HD22 LEU A 635 3.886 11.577 -17.367 1.00 25.00 H new ATOM 0 HD23 LEU A 635 3.364 13.263 -17.598 1.00 25.00 H new ATOM 629 N VAL A 636 -0.359 12.370 -21.432 1.00 25.00 N ATOM 630 CA VAL A 636 -0.509 12.048 -22.861 1.00 25.00 C ATOM 631 C VAL A 636 0.587 12.749 -23.654 1.00 25.00 C ATOM 632 O VAL A 636 0.809 13.938 -23.464 1.00 25.00 O ATOM 633 CB VAL A 636 -1.893 12.513 -23.407 1.00 25.00 C ATOM 634 CG1 VAL A 636 -2.149 11.933 -24.803 1.00 25.00 C ATOM 635 CG2 VAL A 636 -3.023 12.093 -22.452 1.00 25.00 C ATOM 0 H VAL A 636 -0.411 13.366 -21.219 1.00 25.00 H new ATOM 0 HA VAL A 636 -0.435 10.966 -22.971 1.00 25.00 H new ATOM 0 HB VAL A 636 -1.877 13.601 -23.477 1.00 25.00 H new ATOM 0 HG11 VAL A 636 -3.120 12.270 -25.165 1.00 25.00 H new ATOM 0 HG12 VAL A 636 -1.370 12.271 -25.486 1.00 25.00 H new ATOM 0 HG13 VAL A 636 -2.139 10.844 -24.752 1.00 25.00 H new ATOM 0 HG21 VAL A 636 -3.980 12.427 -22.852 1.00 25.00 H new ATOM 0 HG22 VAL A 636 -3.031 11.008 -22.352 1.00 25.00 H new ATOM 0 HG23 VAL A 636 -2.860 12.546 -21.474 1.00 25.00 H new ATOM 645 N ARG A 637 1.260 12.025 -24.544 1.00 25.00 N ATOM 646 CA ARG A 637 2.347 12.579 -25.352 1.00 25.00 C ATOM 647 C ARG A 637 1.978 12.297 -26.799 1.00 25.00 C ATOM 648 O ARG A 637 1.658 11.164 -27.122 1.00 25.00 O ATOM 649 CB ARG A 637 3.663 11.873 -24.988 1.00 25.00 C ATOM 650 CG ARG A 637 4.918 12.569 -25.500 1.00 25.00 C ATOM 651 CD ARG A 637 6.153 11.671 -25.429 1.00 25.00 C ATOM 652 NE ARG A 637 6.167 10.659 -26.506 1.00 25.00 N ATOM 653 CZ ARG A 637 5.943 9.358 -26.361 1.00 25.00 C ATOM 654 NH1 ARG A 637 5.685 8.809 -25.199 1.00 25.00 N ATOM 655 NH2 ARG A 637 5.979 8.590 -27.414 1.00 25.00 N ATOM 0 H ARG A 637 1.069 11.040 -24.727 1.00 25.00 H new ATOM 0 HA ARG A 637 2.482 13.647 -25.182 1.00 25.00 H new ATOM 0 HB2 ARG A 637 3.727 11.789 -23.903 1.00 25.00 H new ATOM 0 HB3 ARG A 637 3.638 10.858 -25.386 1.00 25.00 H new ATOM 0 HG2 ARG A 637 4.760 12.884 -26.531 1.00 25.00 H new ATOM 0 HG3 ARG A 637 5.094 13.471 -24.914 1.00 25.00 H new ATOM 0 HD2 ARG A 637 7.051 12.285 -25.497 1.00 25.00 H new ATOM 0 HD3 ARG A 637 6.182 11.170 -24.461 1.00 25.00 H new ATOM 0 HE ARG A 637 6.368 10.991 -27.449 1.00 25.00 H new ATOM 0 HH11 ARG A 637 5.650 9.386 -24.359 1.00 25.00 H new ATOM 0 HH12 ARG A 637 5.519 7.805 -25.135 1.00 25.00 H new ATOM 0 HH21 ARG A 637 6.177 8.991 -28.331 1.00 25.00 H new ATOM 0 HH22 ARG A 637 5.809 7.589 -27.321 1.00 25.00 H new ATOM 669 N TYR A 638 2.000 13.290 -27.670 1.00 25.00 N ATOM 670 CA TYR A 638 1.611 13.064 -29.067 1.00 25.00 C ATOM 671 C TYR A 638 2.441 13.923 -30.001 1.00 25.00 C ATOM 672 O TYR A 638 2.942 14.965 -29.598 1.00 25.00 O ATOM 673 CB TYR A 638 0.102 13.295 -29.271 1.00 25.00 C ATOM 674 CG TYR A 638 -0.383 14.716 -29.080 1.00 25.00 C ATOM 675 CD1 TYR A 638 -0.842 15.472 -30.182 1.00 25.00 C ATOM 676 CD2 TYR A 638 -0.406 15.315 -27.803 1.00 25.00 C ATOM 677 CE1 TYR A 638 -1.327 16.796 -30.004 1.00 25.00 C ATOM 678 CE2 TYR A 638 -0.874 16.637 -27.633 1.00 25.00 C ATOM 679 CZ TYR A 638 -1.337 17.361 -28.731 1.00 25.00 C ATOM 680 OH TYR A 638 -1.803 18.636 -28.555 1.00 25.00 O ATOM 0 H TYR A 638 2.276 14.247 -27.449 1.00 25.00 H new ATOM 0 HA TYR A 638 1.812 12.021 -29.311 1.00 25.00 H new ATOM 0 HB2 TYR A 638 -0.162 12.974 -30.279 1.00 25.00 H new ATOM 0 HB3 TYR A 638 -0.441 12.651 -28.579 1.00 25.00 H new ATOM 0 HD1 TYR A 638 -0.824 15.039 -31.171 1.00 25.00 H new ATOM 0 HD2 TYR A 638 -0.062 14.756 -26.945 1.00 25.00 H new ATOM 0 HE1 TYR A 638 -1.686 17.361 -30.851 1.00 25.00 H new ATOM 0 HE2 TYR A 638 -0.873 17.087 -26.651 1.00 25.00 H new ATOM 0 HH TYR A 638 -2.620 18.761 -29.081 1.00 25.00 H new ATOM 690 N ARG A 639 2.602 13.465 -31.233 1.00 25.00 N ATOM 691 CA ARG A 639 3.445 14.128 -32.235 1.00 25.00 C ATOM 692 C ARG A 639 2.707 14.017 -33.548 1.00 25.00 C ATOM 693 O ARG A 639 2.029 13.024 -33.780 1.00 25.00 O ATOM 694 CB ARG A 639 4.811 13.424 -32.284 1.00 25.00 C ATOM 695 CG ARG A 639 5.655 13.629 -33.533 1.00 25.00 C ATOM 696 CD ARG A 639 5.529 12.432 -34.452 1.00 25.00 C ATOM 697 NE ARG A 639 5.504 12.827 -35.865 1.00 25.00 N ATOM 698 CZ ARG A 639 5.411 11.989 -36.891 1.00 25.00 C ATOM 699 NH1 ARG A 639 5.335 10.690 -36.739 1.00 25.00 N ATOM 700 NH2 ARG A 639 5.387 12.478 -38.096 1.00 25.00 N ATOM 0 H ARG A 639 2.151 12.617 -31.575 1.00 25.00 H new ATOM 0 HA ARG A 639 3.631 15.176 -32.002 1.00 25.00 H new ATOM 0 HB2 ARG A 639 5.393 13.757 -31.425 1.00 25.00 H new ATOM 0 HB3 ARG A 639 4.644 12.354 -32.161 1.00 25.00 H new ATOM 0 HG2 ARG A 639 5.334 14.531 -34.053 1.00 25.00 H new ATOM 0 HG3 ARG A 639 6.699 13.775 -33.255 1.00 25.00 H new ATOM 0 HD2 ARG A 639 6.364 11.753 -34.280 1.00 25.00 H new ATOM 0 HD3 ARG A 639 4.618 11.884 -34.212 1.00 25.00 H new ATOM 0 HE ARG A 639 5.563 13.823 -36.076 1.00 25.00 H new ATOM 0 HH11 ARG A 639 5.346 10.285 -35.803 1.00 25.00 H new ATOM 0 HH12 ARG A 639 5.265 10.084 -37.557 1.00 25.00 H new ATOM 0 HH21 ARG A 639 5.439 13.487 -38.238 1.00 25.00 H new ATOM 0 HH22 ARG A 639 5.316 11.853 -38.899 1.00 25.00 H new ATOM 714 N ALA A 640 2.825 15.029 -34.390 1.00 25.00 N ATOM 715 CA ALA A 640 2.111 15.074 -35.654 1.00 25.00 C ATOM 716 C ALA A 640 3.099 15.221 -36.810 1.00 25.00 C ATOM 717 O ALA A 640 4.297 15.362 -36.590 1.00 25.00 O ATOM 718 CB ALA A 640 1.112 16.235 -35.621 1.00 25.00 C ATOM 0 H ALA A 640 3.417 15.841 -34.217 1.00 25.00 H new ATOM 0 HA ALA A 640 1.562 14.145 -35.807 1.00 25.00 H new ATOM 0 HB1 ALA A 640 0.571 16.277 -36.566 1.00 25.00 H new ATOM 0 HB2 ALA A 640 0.405 16.084 -34.805 1.00 25.00 H new ATOM 0 HB3 ALA A 640 1.648 17.172 -35.468 1.00 25.00 H new ATOM 724 N LEU A 641 2.606 15.193 -38.037 1.00 25.00 N ATOM 725 CA LEU A 641 3.469 15.365 -39.203 1.00 25.00 C ATOM 726 C LEU A 641 4.104 16.758 -39.171 1.00 25.00 C ATOM 727 O LEU A 641 5.284 16.918 -39.468 1.00 25.00 O ATOM 728 CB LEU A 641 2.650 15.175 -40.485 1.00 25.00 C ATOM 729 CG LEU A 641 3.472 15.191 -41.783 1.00 25.00 C ATOM 730 CD1 LEU A 641 3.059 14.029 -42.690 1.00 25.00 C ATOM 731 CD2 LEU A 641 3.292 16.517 -42.524 1.00 25.00 C ATOM 0 H LEU A 641 1.619 15.054 -38.255 1.00 25.00 H new ATOM 0 HA LEU A 641 4.263 14.618 -39.184 1.00 25.00 H new ATOM 0 HB2 LEU A 641 2.116 14.227 -40.421 1.00 25.00 H new ATOM 0 HB3 LEU A 641 1.897 15.962 -40.538 1.00 25.00 H new ATOM 0 HG LEU A 641 4.524 15.080 -41.518 1.00 25.00 H new ATOM 0 HD11 LEU A 641 3.650 14.054 -43.605 1.00 25.00 H new ATOM 0 HD12 LEU A 641 3.231 13.085 -42.173 1.00 25.00 H new ATOM 0 HD13 LEU A 641 2.002 14.119 -42.939 1.00 25.00 H new ATOM 0 HD21 LEU A 641 3.883 16.505 -43.440 1.00 25.00 H new ATOM 0 HD22 LEU A 641 2.240 16.655 -42.773 1.00 25.00 H new ATOM 0 HD23 LEU A 641 3.625 17.337 -41.888 1.00 25.00 H new ATOM 743 N SER A 642 3.307 17.747 -38.797 1.00 25.00 N ATOM 744 CA SER A 642 3.745 19.140 -38.739 1.00 25.00 C ATOM 745 C SER A 642 4.171 19.627 -37.351 1.00 25.00 C ATOM 746 O SER A 642 4.490 20.803 -37.190 1.00 25.00 O ATOM 747 CB SER A 642 2.591 20.029 -39.210 1.00 25.00 C ATOM 748 OG SER A 642 1.970 19.481 -40.361 1.00 25.00 O ATOM 0 H SER A 642 2.334 17.609 -38.523 1.00 25.00 H new ATOM 0 HA SER A 642 4.628 19.202 -39.375 1.00 25.00 H new ATOM 0 HB2 SER A 642 1.857 20.134 -38.411 1.00 25.00 H new ATOM 0 HB3 SER A 642 2.964 21.029 -39.434 1.00 25.00 H new ATOM 0 HG SER A 642 1.024 19.309 -40.172 1.00 25.00 H new ATOM 754 N SER A 643 4.165 18.757 -36.345 1.00 25.00 N ATOM 755 CA SER A 643 4.508 19.187 -34.982 1.00 25.00 C ATOM 756 C SER A 643 5.266 18.140 -34.175 1.00 25.00 C ATOM 757 O SER A 643 5.073 16.944 -34.337 1.00 25.00 O ATOM 758 CB SER A 643 3.241 19.582 -34.222 1.00 25.00 C ATOM 759 OG SER A 643 3.542 20.391 -33.093 1.00 25.00 O ATOM 0 H SER A 643 3.932 17.768 -36.438 1.00 25.00 H new ATOM 0 HA SER A 643 5.176 20.040 -35.099 1.00 25.00 H new ATOM 0 HB2 SER A 643 2.569 20.122 -34.889 1.00 25.00 H new ATOM 0 HB3 SER A 643 2.715 18.684 -33.898 1.00 25.00 H new ATOM 0 HG SER A 643 4.507 20.560 -33.060 1.00 25.00 H new ATOM 765 N GLU A 644 6.135 18.620 -33.302 1.00 25.00 N ATOM 766 CA GLU A 644 6.992 17.772 -32.465 1.00 25.00 C ATOM 767 C GLU A 644 6.208 17.091 -31.336 1.00 25.00 C ATOM 768 O GLU A 644 5.005 17.302 -31.180 1.00 25.00 O ATOM 769 CB GLU A 644 8.147 18.598 -31.843 1.00 25.00 C ATOM 770 CG GLU A 644 8.197 20.088 -32.220 1.00 25.00 C ATOM 771 CD GLU A 644 7.065 20.881 -31.584 1.00 25.00 C ATOM 772 OE1 GLU A 644 7.061 21.064 -30.352 1.00 25.00 O ATOM 773 OE2 GLU A 644 6.149 21.310 -32.326 1.00 25.00 O ATOM 0 H GLU A 644 6.273 19.619 -33.147 1.00 25.00 H new ATOM 0 HA GLU A 644 7.397 17.001 -33.121 1.00 25.00 H new ATOM 0 HB2 GLU A 644 8.077 18.522 -30.758 1.00 25.00 H new ATOM 0 HB3 GLU A 644 9.092 18.139 -32.135 1.00 25.00 H new ATOM 0 HG2 GLU A 644 9.153 20.508 -31.907 1.00 25.00 H new ATOM 0 HG3 GLU A 644 8.144 20.189 -33.304 1.00 25.00 H new ATOM 780 N TRP A 645 6.899 16.283 -30.542 1.00 25.00 N ATOM 781 CA TRP A 645 6.280 15.607 -29.405 1.00 25.00 C ATOM 782 C TRP A 645 5.838 16.598 -28.336 1.00 25.00 C ATOM 783 O TRP A 645 6.664 17.168 -27.623 1.00 25.00 O ATOM 784 CB TRP A 645 7.261 14.623 -28.754 1.00 25.00 C ATOM 785 CG TRP A 645 7.456 13.347 -29.519 1.00 25.00 C ATOM 786 CD1 TRP A 645 8.548 12.965 -30.228 1.00 25.00 C ATOM 787 CD2 TRP A 645 6.522 12.257 -29.643 1.00 25.00 C ATOM 788 NE1 TRP A 645 8.382 11.729 -30.782 1.00 25.00 N ATOM 789 CE2 TRP A 645 7.148 11.254 -30.441 1.00 25.00 C ATOM 790 CE3 TRP A 645 5.212 12.030 -29.177 1.00 25.00 C ATOM 791 CZ2 TRP A 645 6.510 10.043 -30.763 1.00 25.00 C ATOM 792 CZ3 TRP A 645 4.568 10.810 -29.493 1.00 25.00 C ATOM 793 CH2 TRP A 645 5.230 9.829 -30.284 1.00 25.00 C ATOM 0 H TRP A 645 7.891 16.078 -30.664 1.00 25.00 H new ATOM 0 HA TRP A 645 5.412 15.077 -29.795 1.00 25.00 H new ATOM 0 HB2 TRP A 645 8.227 15.115 -28.638 1.00 25.00 H new ATOM 0 HB3 TRP A 645 6.904 14.382 -27.753 1.00 25.00 H new ATOM 0 HD1 TRP A 645 9.439 13.565 -30.340 1.00 25.00 H new ATOM 0 HE1 TRP A 645 9.068 11.240 -31.357 1.00 25.00 H new ATOM 0 HE3 TRP A 645 4.705 12.778 -28.586 1.00 25.00 H new ATOM 0 HZ2 TRP A 645 7.006 9.299 -31.369 1.00 25.00 H new ATOM 0 HZ3 TRP A 645 3.568 10.622 -29.132 1.00 25.00 H new ATOM 0 HH2 TRP A 645 4.725 8.903 -30.514 1.00 25.00 H new ATOM 804 N LYS A 646 4.535 16.783 -28.202 1.00 25.00 N ATOM 805 CA LYS A 646 3.991 17.605 -27.126 1.00 25.00 C ATOM 806 C LYS A 646 4.269 16.761 -25.885 1.00 25.00 C ATOM 807 O LYS A 646 3.980 15.565 -25.888 1.00 25.00 O ATOM 808 CB LYS A 646 2.491 17.844 -27.320 1.00 25.00 C ATOM 809 CG LYS A 646 2.116 18.506 -28.661 1.00 25.00 C ATOM 810 CD LYS A 646 2.672 19.922 -28.825 1.00 25.00 C ATOM 811 CE LYS A 646 3.781 19.956 -29.873 1.00 25.00 C ATOM 812 NZ LYS A 646 4.234 21.349 -30.168 1.00 25.00 N ATOM 0 H LYS A 646 3.833 16.378 -28.822 1.00 25.00 H new ATOM 0 HA LYS A 646 4.431 18.601 -27.073 1.00 25.00 H new ATOM 0 HB2 LYS A 646 1.971 16.889 -27.243 1.00 25.00 H new ATOM 0 HB3 LYS A 646 2.128 18.471 -26.506 1.00 25.00 H new ATOM 0 HG2 LYS A 646 2.483 17.884 -29.478 1.00 25.00 H new ATOM 0 HG3 LYS A 646 1.030 18.539 -28.748 1.00 25.00 H new ATOM 0 HD2 LYS A 646 1.870 20.600 -29.117 1.00 25.00 H new ATOM 0 HD3 LYS A 646 3.058 20.278 -27.870 1.00 25.00 H new ATOM 0 HE2 LYS A 646 4.628 19.366 -29.523 1.00 25.00 H new ATOM 0 HE3 LYS A 646 3.426 19.489 -30.791 1.00 25.00 H new ATOM 0 HZ1 LYS A 646 4.081 21.558 -31.175 1.00 25.00 H new ATOM 0 HZ2 LYS A 646 3.691 22.021 -29.588 1.00 25.00 H new ATOM 0 HZ3 LYS A 646 5.246 21.439 -29.946 1.00 25.00 H new ATOM 826 N PRO A 647 4.864 17.349 -24.831 1.00 25.00 N ATOM 827 CA PRO A 647 5.328 16.492 -23.731 1.00 25.00 C ATOM 828 C PRO A 647 4.261 15.851 -22.846 1.00 25.00 C ATOM 829 O PRO A 647 4.346 14.662 -22.548 1.00 25.00 O ATOM 830 CB PRO A 647 6.214 17.443 -22.917 1.00 25.00 C ATOM 831 CG PRO A 647 5.633 18.794 -23.157 1.00 25.00 C ATOM 832 CD PRO A 647 5.204 18.767 -24.604 1.00 25.00 C ATOM 0 HA PRO A 647 5.820 15.609 -24.139 1.00 25.00 H new ATOM 0 HB2 PRO A 647 6.201 17.188 -21.857 1.00 25.00 H new ATOM 0 HB3 PRO A 647 7.253 17.394 -23.243 1.00 25.00 H new ATOM 0 HG2 PRO A 647 4.788 18.986 -22.496 1.00 25.00 H new ATOM 0 HG3 PRO A 647 6.366 19.580 -22.975 1.00 25.00 H new ATOM 0 HD2 PRO A 647 4.349 19.419 -24.782 1.00 25.00 H new ATOM 0 HD3 PRO A 647 6.003 19.100 -25.267 1.00 25.00 H new ATOM 840 N GLU A 648 3.273 16.622 -22.413 1.00 25.00 N ATOM 841 CA GLU A 648 2.244 16.107 -21.520 1.00 25.00 C ATOM 842 C GLU A 648 0.943 16.880 -21.664 1.00 25.00 C ATOM 843 O GLU A 648 0.934 18.111 -21.602 1.00 25.00 O ATOM 844 CB GLU A 648 2.699 16.250 -20.056 1.00 25.00 C ATOM 845 CG GLU A 648 1.720 15.646 -19.036 1.00 25.00 C ATOM 846 CD GLU A 648 1.945 16.173 -17.627 1.00 25.00 C ATOM 847 OE1 GLU A 648 3.044 15.965 -17.074 1.00 25.00 O ATOM 848 OE2 GLU A 648 1.013 16.809 -17.075 1.00 25.00 O ATOM 0 H GLU A 648 3.162 17.604 -22.665 1.00 25.00 H new ATOM 0 HA GLU A 648 2.084 15.062 -21.786 1.00 25.00 H new ATOM 0 HB2 GLU A 648 3.671 15.770 -19.940 1.00 25.00 H new ATOM 0 HB3 GLU A 648 2.836 17.308 -19.830 1.00 25.00 H new ATOM 0 HG2 GLU A 648 0.698 15.867 -19.344 1.00 25.00 H new ATOM 0 HG3 GLU A 648 1.825 14.561 -19.035 1.00 25.00 H new ATOM 855 N ILE A 649 -0.157 16.160 -21.805 1.00 25.00 N ATOM 856 CA ILE A 649 -1.469 16.748 -21.629 1.00 25.00 C ATOM 857 C ILE A 649 -1.893 16.164 -20.294 1.00 25.00 C ATOM 858 O ILE A 649 -2.077 14.953 -20.159 1.00 25.00 O ATOM 859 CB ILE A 649 -2.475 16.386 -22.751 1.00 25.00 C ATOM 860 CG1 ILE A 649 -1.926 16.828 -24.123 1.00 25.00 C ATOM 861 CG2 ILE A 649 -3.856 17.028 -22.471 1.00 25.00 C ATOM 862 CD1 ILE A 649 -1.643 18.345 -24.269 1.00 25.00 C ATOM 0 H ILE A 649 -0.165 15.168 -22.041 1.00 25.00 H new ATOM 0 HA ILE A 649 -1.445 17.837 -21.665 1.00 25.00 H new ATOM 0 HB ILE A 649 -2.606 15.304 -22.769 1.00 25.00 H new ATOM 0 HG12 ILE A 649 -1.002 16.283 -24.318 1.00 25.00 H new ATOM 0 HG13 ILE A 649 -2.639 16.533 -24.893 1.00 25.00 H new ATOM 0 HG21 ILE A 649 -4.549 16.763 -23.269 1.00 25.00 H new ATOM 0 HG22 ILE A 649 -4.241 16.662 -21.519 1.00 25.00 H new ATOM 0 HG23 ILE A 649 -3.751 18.112 -22.427 1.00 25.00 H new ATOM 0 HD11 ILE A 649 -1.261 18.549 -25.269 1.00 25.00 H new ATOM 0 HD12 ILE A 649 -2.565 18.904 -24.112 1.00 25.00 H new ATOM 0 HD13 ILE A 649 -0.903 18.650 -23.529 1.00 25.00 H new ATOM 874 N ARG A 650 -2.016 17.041 -19.315 1.00 25.00 N ATOM 875 CA ARG A 650 -2.401 16.679 -17.955 1.00 25.00 C ATOM 876 C ARG A 650 -3.808 16.221 -17.940 1.00 25.00 C ATOM 877 O ARG A 650 -4.576 16.783 -18.669 1.00 25.00 O ATOM 878 CB ARG A 650 -2.363 17.919 -17.041 1.00 25.00 C ATOM 879 CG ARG A 650 -3.589 18.925 -17.253 1.00 25.00 C ATOM 880 CD ARG A 650 -3.394 20.222 -16.484 1.00 25.00 C ATOM 881 NE ARG A 650 -3.193 19.982 -15.045 1.00 25.00 N ATOM 882 CZ ARG A 650 -2.934 20.920 -14.141 1.00 25.00 C ATOM 883 NH1 ARG A 650 -2.843 22.191 -14.453 1.00 25.00 N ATOM 884 NH2 ARG A 650 -2.762 20.572 -12.896 1.00 25.00 N ATOM 0 H ARG A 650 -1.850 18.040 -19.439 1.00 25.00 H new ATOM 0 HA ARG A 650 -1.712 15.906 -17.613 1.00 25.00 H new ATOM 0 HB2 ARG A 650 -2.352 17.591 -16.002 1.00 25.00 H new ATOM 0 HB3 ARG A 650 -1.431 18.457 -17.215 1.00 25.00 H new ATOM 0 HG2 ARG A 650 -3.699 19.145 -18.315 1.00 25.00 H new ATOM 0 HG3 ARG A 650 -4.513 18.446 -16.929 1.00 25.00 H new ATOM 0 HD2 ARG A 650 -2.534 20.757 -16.887 1.00 25.00 H new ATOM 0 HD3 ARG A 650 -4.264 20.863 -16.627 1.00 25.00 H new ATOM 0 HE ARG A 650 -3.258 19.019 -14.716 1.00 25.00 H new ATOM 0 HH11 ARG A 650 -2.973 22.489 -15.420 1.00 25.00 H new ATOM 0 HH12 ARG A 650 -2.643 22.881 -13.729 1.00 25.00 H new ATOM 0 HH21 ARG A 650 -2.827 19.590 -12.627 1.00 25.00 H new ATOM 0 HH22 ARG A 650 -2.562 21.282 -12.191 1.00 25.00 H new ATOM 898 N LEU A 651 -4.163 15.233 -17.135 1.00 25.00 N ATOM 899 CA LEU A 651 -5.577 15.050 -16.766 1.00 25.00 C ATOM 900 C LEU A 651 -5.706 14.438 -15.365 1.00 25.00 C ATOM 901 O LEU A 651 -4.836 13.668 -14.946 1.00 25.00 O ATOM 902 CB LEU A 651 -6.407 14.316 -17.837 1.00 25.00 C ATOM 903 CG LEU A 651 -7.249 15.199 -18.820 1.00 25.00 C ATOM 904 CD1 LEU A 651 -7.576 16.709 -18.334 1.00 25.00 C ATOM 905 CD2 LEU A 651 -6.589 15.275 -20.214 1.00 25.00 C ATOM 0 H LEU A 651 -3.518 14.556 -16.728 1.00 25.00 H new ATOM 0 HA LEU A 651 -6.023 16.043 -16.723 1.00 25.00 H new ATOM 0 HB2 LEU A 651 -5.727 13.704 -18.430 1.00 25.00 H new ATOM 0 HB3 LEU A 651 -7.088 13.634 -17.328 1.00 25.00 H new ATOM 0 HG LEU A 651 -8.205 14.675 -18.851 1.00 25.00 H new ATOM 0 HD11 LEU A 651 -8.163 17.218 -19.098 1.00 25.00 H new ATOM 0 HD12 LEU A 651 -8.142 16.677 -17.403 1.00 25.00 H new ATOM 0 HD13 LEU A 651 -6.643 17.249 -18.173 1.00 25.00 H new ATOM 0 HD21 LEU A 651 -7.198 15.895 -20.872 1.00 25.00 H new ATOM 0 HD22 LEU A 651 -5.594 15.712 -20.122 1.00 25.00 H new ATOM 0 HD23 LEU A 651 -6.508 14.272 -20.633 1.00 25.00 H new ATOM 917 N PRO A 652 -6.778 14.786 -14.615 1.00 25.00 N ATOM 918 CA PRO A 652 -6.909 14.216 -13.272 1.00 25.00 C ATOM 919 C PRO A 652 -7.416 12.785 -13.317 1.00 25.00 C ATOM 920 O PRO A 652 -7.961 12.351 -14.324 1.00 25.00 O ATOM 921 CB PRO A 652 -7.949 15.127 -12.619 1.00 25.00 C ATOM 922 CG PRO A 652 -8.838 15.489 -13.739 1.00 25.00 C ATOM 923 CD PRO A 652 -7.909 15.690 -14.912 1.00 25.00 C ATOM 0 HA PRO A 652 -5.959 14.172 -12.739 1.00 25.00 H new ATOM 0 HB2 PRO A 652 -8.491 14.613 -11.825 1.00 25.00 H new ATOM 0 HB3 PRO A 652 -7.488 16.007 -12.172 1.00 25.00 H new ATOM 0 HG2 PRO A 652 -9.565 14.702 -13.939 1.00 25.00 H new ATOM 0 HG3 PRO A 652 -9.402 16.395 -13.520 1.00 25.00 H new ATOM 0 HD2 PRO A 652 -8.392 15.433 -15.855 1.00 25.00 H new ATOM 0 HD3 PRO A 652 -7.583 16.727 -14.993 1.00 25.00 H new ATOM 931 N SER A 653 -7.248 12.068 -12.219 1.00 25.00 N ATOM 932 CA SER A 653 -7.629 10.659 -12.118 1.00 25.00 C ATOM 933 C SER A 653 -9.082 10.325 -12.463 1.00 25.00 C ATOM 934 O SER A 653 -9.376 9.206 -12.862 1.00 25.00 O ATOM 935 CB SER A 653 -7.361 10.208 -10.696 1.00 25.00 C ATOM 936 OG SER A 653 -7.977 11.088 -9.772 1.00 25.00 O ATOM 0 H SER A 653 -6.841 12.445 -11.363 1.00 25.00 H new ATOM 0 HA SER A 653 -7.033 10.138 -12.867 1.00 25.00 H new ATOM 0 HB2 SER A 653 -7.740 9.196 -10.552 1.00 25.00 H new ATOM 0 HB3 SER A 653 -6.287 10.175 -10.515 1.00 25.00 H new ATOM 0 HG SER A 653 -7.796 10.782 -8.859 1.00 25.00 H new ATOM 942 N GLY A 654 -9.981 11.289 -12.309 1.00 25.00 N ATOM 943 CA GLY A 654 -11.392 11.057 -12.587 1.00 25.00 C ATOM 944 C GLY A 654 -11.833 11.358 -14.010 1.00 25.00 C ATOM 945 O GLY A 654 -13.025 11.340 -14.289 1.00 25.00 O ATOM 0 H GLY A 654 -9.760 12.234 -11.995 1.00 25.00 H new ATOM 0 HA2 GLY A 654 -11.622 10.015 -12.366 1.00 25.00 H new ATOM 0 HA3 GLY A 654 -11.985 11.666 -11.904 1.00 25.00 H new ATOM 949 N SER A 655 -10.901 11.646 -14.908 1.00 25.00 N ATOM 950 CA SER A 655 -11.260 11.952 -16.297 1.00 25.00 C ATOM 951 C SER A 655 -11.473 10.630 -17.041 1.00 25.00 C ATOM 952 O SER A 655 -10.597 9.780 -17.035 1.00 25.00 O ATOM 953 CB SER A 655 -10.152 12.776 -16.958 1.00 25.00 C ATOM 954 OG SER A 655 -10.601 13.408 -18.146 1.00 25.00 O ATOM 0 H SER A 655 -9.901 11.676 -14.709 1.00 25.00 H new ATOM 0 HA SER A 655 -12.176 12.541 -16.330 1.00 25.00 H new ATOM 0 HB2 SER A 655 -9.794 13.531 -16.258 1.00 25.00 H new ATOM 0 HB3 SER A 655 -9.306 12.128 -17.189 1.00 25.00 H new ATOM 0 HG SER A 655 -10.529 12.782 -18.897 1.00 25.00 H new ATOM 960 N ASP A 656 -12.631 10.454 -17.664 1.00 25.00 N ATOM 961 CA ASP A 656 -12.969 9.201 -18.362 1.00 25.00 C ATOM 962 C ASP A 656 -12.505 9.178 -19.818 1.00 25.00 C ATOM 963 O ASP A 656 -12.428 8.121 -20.450 1.00 25.00 O ATOM 964 CB ASP A 656 -14.485 8.988 -18.342 1.00 25.00 C ATOM 965 CG ASP A 656 -15.224 9.982 -19.227 1.00 25.00 C ATOM 966 OD1 ASP A 656 -16.064 9.546 -20.036 1.00 25.00 O ATOM 967 OD2 ASP A 656 -14.953 11.201 -19.118 1.00 25.00 O ATOM 0 H ASP A 656 -13.363 11.163 -17.705 1.00 25.00 H new ATOM 0 HA ASP A 656 -12.447 8.406 -17.830 1.00 25.00 H new ATOM 0 HB2 ASP A 656 -14.711 7.974 -18.672 1.00 25.00 H new ATOM 0 HB3 ASP A 656 -14.848 9.078 -17.318 1.00 25.00 H new ATOM 972 N HIS A 657 -12.181 10.345 -20.350 1.00 25.00 N ATOM 973 CA HIS A 657 -11.673 10.454 -21.709 1.00 25.00 C ATOM 974 C HIS A 657 -10.754 11.661 -21.759 1.00 25.00 C ATOM 975 O HIS A 657 -10.708 12.450 -20.814 1.00 25.00 O ATOM 976 CB HIS A 657 -12.823 10.611 -22.715 1.00 25.00 C ATOM 977 CG HIS A 657 -13.352 12.010 -22.818 1.00 25.00 C ATOM 978 ND1 HIS A 657 -13.102 12.851 -23.876 1.00 25.00 N ATOM 979 CD2 HIS A 657 -14.140 12.732 -21.972 1.00 25.00 C ATOM 980 CE1 HIS A 657 -13.714 14.006 -23.643 1.00 25.00 C ATOM 981 NE2 HIS A 657 -14.356 13.995 -22.495 1.00 25.00 N ATOM 0 H HIS A 657 -12.261 11.235 -19.859 1.00 25.00 H new ATOM 0 HA HIS A 657 -11.131 9.548 -21.980 1.00 25.00 H new ATOM 0 HB2 HIS A 657 -12.479 10.290 -23.698 1.00 25.00 H new ATOM 0 HB3 HIS A 657 -13.637 9.945 -22.428 1.00 25.00 H new ATOM 0 HD2 HIS A 657 -14.536 12.372 -21.034 1.00 25.00 H new ATOM 0 HE1 HIS A 657 -13.688 14.852 -24.314 1.00 25.00 H new ATOM 0 HE2 HIS A 657 -14.897 14.754 -22.080 1.00 25.00 H new ATOM 989 N VAL A 658 -10.034 11.814 -22.858 1.00 25.00 N ATOM 990 CA VAL A 658 -9.197 12.990 -23.067 1.00 25.00 C ATOM 991 C VAL A 658 -9.466 13.509 -24.474 1.00 25.00 C ATOM 992 O VAL A 658 -9.410 12.765 -25.460 1.00 25.00 O ATOM 993 CB VAL A 658 -7.672 12.690 -22.830 1.00 25.00 C ATOM 994 CG1 VAL A 658 -7.288 11.310 -23.344 1.00 25.00 C ATOM 995 CG2 VAL A 658 -6.780 13.763 -23.491 1.00 25.00 C ATOM 0 H VAL A 658 -10.011 11.139 -23.622 1.00 25.00 H new ATOM 0 HA VAL A 658 -9.453 13.755 -22.334 1.00 25.00 H new ATOM 0 HB VAL A 658 -7.508 12.715 -21.753 1.00 25.00 H new ATOM 0 HG11 VAL A 658 -6.227 11.137 -23.164 1.00 25.00 H new ATOM 0 HG12 VAL A 658 -7.873 10.552 -22.823 1.00 25.00 H new ATOM 0 HG13 VAL A 658 -7.488 11.251 -24.414 1.00 25.00 H new ATOM 0 HG21 VAL A 658 -5.732 13.527 -23.309 1.00 25.00 H new ATOM 0 HG22 VAL A 658 -6.967 13.781 -24.565 1.00 25.00 H new ATOM 0 HG23 VAL A 658 -7.011 14.740 -23.067 1.00 25.00 H new ATOM 1005 N MET A 659 -9.775 14.795 -24.558 1.00 25.00 N ATOM 1006 CA MET A 659 -9.999 15.455 -25.837 1.00 25.00 C ATOM 1007 C MET A 659 -8.681 16.080 -26.278 1.00 25.00 C ATOM 1008 O MET A 659 -8.195 17.032 -25.650 1.00 25.00 O ATOM 1009 CB MET A 659 -11.065 16.547 -25.696 1.00 25.00 C ATOM 1010 CG MET A 659 -11.482 17.156 -27.023 1.00 25.00 C ATOM 1011 SD MET A 659 -12.644 16.075 -27.854 1.00 25.00 S ATOM 1012 CE MET A 659 -12.219 16.341 -29.561 1.00 25.00 C ATOM 0 H MET A 659 -9.877 15.407 -23.748 1.00 25.00 H new ATOM 0 HA MET A 659 -10.348 14.731 -26.573 1.00 25.00 H new ATOM 0 HB2 MET A 659 -11.943 16.126 -25.206 1.00 25.00 H new ATOM 0 HB3 MET A 659 -10.684 17.335 -25.047 1.00 25.00 H new ATOM 0 HG2 MET A 659 -11.936 18.133 -26.858 1.00 25.00 H new ATOM 0 HG3 MET A 659 -10.606 17.314 -27.652 1.00 25.00 H new ATOM 0 HE1 MET A 659 -12.886 15.759 -30.197 1.00 25.00 H new ATOM 0 HE2 MET A 659 -12.321 17.399 -29.801 1.00 25.00 H new ATOM 0 HE3 MET A 659 -11.189 16.028 -29.733 1.00 25.00 H new ATOM 1022 N LEU A 660 -8.103 15.564 -27.350 1.00 25.00 N ATOM 1023 CA LEU A 660 -6.861 16.110 -27.888 1.00 25.00 C ATOM 1024 C LEU A 660 -7.224 17.022 -29.032 1.00 25.00 C ATOM 1025 O LEU A 660 -8.269 16.862 -29.645 1.00 25.00 O ATOM 1026 CB LEU A 660 -5.934 15.007 -28.392 1.00 25.00 C ATOM 1027 CG LEU A 660 -5.307 14.102 -27.328 1.00 25.00 C ATOM 1028 CD1 LEU A 660 -4.437 13.081 -28.023 1.00 25.00 C ATOM 1029 CD2 LEU A 660 -4.461 14.900 -26.330 1.00 25.00 C ATOM 0 H LEU A 660 -8.472 14.767 -27.868 1.00 25.00 H new ATOM 0 HA LEU A 660 -6.332 16.647 -27.101 1.00 25.00 H new ATOM 0 HB2 LEU A 660 -6.495 14.380 -29.085 1.00 25.00 H new ATOM 0 HB3 LEU A 660 -5.129 15.472 -28.962 1.00 25.00 H new ATOM 0 HG LEU A 660 -6.106 13.617 -26.768 1.00 25.00 H new ATOM 0 HD11 LEU A 660 -3.981 12.426 -27.281 1.00 25.00 H new ATOM 0 HD12 LEU A 660 -5.046 12.488 -28.705 1.00 25.00 H new ATOM 0 HD13 LEU A 660 -3.655 13.592 -28.586 1.00 25.00 H new ATOM 0 HD21 LEU A 660 -4.034 14.222 -25.591 1.00 25.00 H new ATOM 0 HD22 LEU A 660 -3.658 15.411 -26.861 1.00 25.00 H new ATOM 0 HD23 LEU A 660 -5.089 15.635 -25.827 1.00 25.00 H new ATOM 1041 N LYS A 661 -6.353 17.981 -29.300 1.00 25.00 N ATOM 1042 CA LYS A 661 -6.550 18.978 -30.347 1.00 25.00 C ATOM 1043 C LYS A 661 -5.161 19.504 -30.629 1.00 25.00 C ATOM 1044 O LYS A 661 -4.206 18.999 -30.040 1.00 25.00 O ATOM 1045 CB LYS A 661 -7.508 20.100 -29.902 1.00 25.00 C ATOM 1046 CG LYS A 661 -7.140 20.762 -28.584 1.00 25.00 C ATOM 1047 CD LYS A 661 -7.991 20.213 -27.450 1.00 25.00 C ATOM 1048 CE LYS A 661 -7.350 20.528 -26.126 1.00 25.00 C ATOM 1049 NZ LYS A 661 -8.095 19.858 -25.006 1.00 25.00 N ATOM 0 H LYS A 661 -5.476 18.093 -28.791 1.00 25.00 H new ATOM 0 HA LYS A 661 -7.018 18.553 -31.235 1.00 25.00 H new ATOM 0 HB2 LYS A 661 -7.539 20.863 -30.680 1.00 25.00 H new ATOM 0 HB3 LYS A 661 -8.514 19.689 -29.818 1.00 25.00 H new ATOM 0 HG2 LYS A 661 -6.085 20.592 -28.368 1.00 25.00 H new ATOM 0 HG3 LYS A 661 -7.280 21.840 -28.661 1.00 25.00 H new ATOM 0 HD2 LYS A 661 -8.990 20.646 -27.492 1.00 25.00 H new ATOM 0 HD3 LYS A 661 -8.106 19.135 -27.560 1.00 25.00 H new ATOM 0 HE2 LYS A 661 -6.312 20.195 -26.130 1.00 25.00 H new ATOM 0 HE3 LYS A 661 -7.339 21.607 -25.969 1.00 25.00 H new ATOM 0 HZ1 LYS A 661 -7.591 20.016 -24.110 1.00 25.00 H new ATOM 0 HZ2 LYS A 661 -9.053 20.257 -24.939 1.00 25.00 H new ATOM 0 HZ3 LYS A 661 -8.157 18.837 -25.192 1.00 25.00 H new ATOM 1063 N SER A 662 -5.054 20.500 -31.499 1.00 25.00 N ATOM 1064 CA SER A 662 -3.757 21.067 -31.910 1.00 25.00 C ATOM 1065 C SER A 662 -2.910 19.947 -32.513 1.00 25.00 C ATOM 1066 O SER A 662 -1.770 19.715 -32.112 1.00 25.00 O ATOM 1067 CB SER A 662 -3.035 21.739 -30.731 1.00 25.00 C ATOM 1068 OG SER A 662 -1.900 22.458 -31.177 1.00 25.00 O ATOM 0 H SER A 662 -5.857 20.944 -31.944 1.00 25.00 H new ATOM 0 HA SER A 662 -3.922 21.845 -32.655 1.00 25.00 H new ATOM 0 HB2 SER A 662 -3.719 22.414 -30.217 1.00 25.00 H new ATOM 0 HB3 SER A 662 -2.730 20.983 -30.007 1.00 25.00 H new ATOM 0 HG SER A 662 -1.292 21.850 -31.647 1.00 25.00 H new ATOM 1074 N LEU A 663 -3.504 19.254 -33.474 1.00 25.00 N ATOM 1075 CA LEU A 663 -2.893 18.117 -34.145 1.00 25.00 C ATOM 1076 C LEU A 663 -3.289 18.193 -35.613 1.00 25.00 C ATOM 1077 O LEU A 663 -4.265 18.863 -35.952 1.00 25.00 O ATOM 1078 CB LEU A 663 -3.389 16.808 -33.501 1.00 25.00 C ATOM 1079 CG LEU A 663 -4.911 16.638 -33.258 1.00 25.00 C ATOM 1080 CD1 LEU A 663 -5.665 16.142 -34.475 1.00 25.00 C ATOM 1081 CD2 LEU A 663 -5.110 15.663 -32.104 1.00 25.00 C ATOM 0 H LEU A 663 -4.441 19.471 -33.815 1.00 25.00 H new ATOM 0 HA LEU A 663 -1.807 18.137 -34.053 1.00 25.00 H new ATOM 0 HB2 LEU A 663 -3.059 15.982 -34.131 1.00 25.00 H new ATOM 0 HB3 LEU A 663 -2.885 16.698 -32.541 1.00 25.00 H new ATOM 0 HG LEU A 663 -5.317 17.623 -33.025 1.00 25.00 H new ATOM 0 HD11 LEU A 663 -6.723 16.046 -34.233 1.00 25.00 H new ATOM 0 HD12 LEU A 663 -5.543 16.852 -35.293 1.00 25.00 H new ATOM 0 HD13 LEU A 663 -5.272 15.171 -34.775 1.00 25.00 H new ATOM 0 HD21 LEU A 663 -6.176 15.531 -31.919 1.00 25.00 H new ATOM 0 HD22 LEU A 663 -4.664 14.702 -32.359 1.00 25.00 H new ATOM 0 HD23 LEU A 663 -4.632 16.058 -31.207 1.00 25.00 H new ATOM 1093 N ASP A 664 -2.539 17.529 -36.475 1.00 25.00 N ATOM 1094 CA ASP A 664 -2.854 17.519 -37.902 1.00 25.00 C ATOM 1095 C ASP A 664 -4.112 16.699 -38.109 1.00 25.00 C ATOM 1096 O ASP A 664 -4.353 15.741 -37.393 1.00 25.00 O ATOM 1097 CB ASP A 664 -1.736 16.868 -38.710 1.00 25.00 C ATOM 1098 CG ASP A 664 -0.537 17.764 -38.873 1.00 25.00 C ATOM 1099 OD1 ASP A 664 -0.679 18.899 -39.361 1.00 25.00 O ATOM 1100 OD2 ASP A 664 0.568 17.326 -38.517 1.00 25.00 O ATOM 0 H ASP A 664 -1.711 16.991 -36.219 1.00 25.00 H new ATOM 0 HA ASP A 664 -2.981 18.549 -38.235 1.00 25.00 H new ATOM 0 HB2 ASP A 664 -1.430 15.944 -38.219 1.00 25.00 H new ATOM 0 HB3 ASP A 664 -2.117 16.595 -39.694 1.00 25.00 H new ATOM 1105 N TRP A 665 -4.914 17.072 -39.089 1.00 25.00 N ATOM 1106 CA TRP A 665 -6.125 16.322 -39.401 1.00 25.00 C ATOM 1107 C TRP A 665 -5.989 15.680 -40.770 1.00 25.00 C ATOM 1108 O TRP A 665 -6.223 14.491 -40.919 1.00 25.00 O ATOM 1109 CB TRP A 665 -7.358 17.227 -39.315 1.00 25.00 C ATOM 1110 CG TRP A 665 -7.110 18.650 -39.749 1.00 25.00 C ATOM 1111 CD1 TRP A 665 -6.525 19.641 -39.026 1.00 25.00 C ATOM 1112 CD2 TRP A 665 -7.450 19.256 -41.013 1.00 25.00 C ATOM 1113 NE1 TRP A 665 -6.469 20.807 -39.719 1.00 25.00 N ATOM 1114 CE2 TRP A 665 -7.023 20.616 -40.954 1.00 25.00 C ATOM 1115 CE3 TRP A 665 -8.075 18.791 -42.187 1.00 25.00 C ATOM 1116 CZ2 TRP A 665 -7.195 21.509 -42.031 1.00 25.00 C ATOM 1117 CZ3 TRP A 665 -8.256 19.688 -43.273 1.00 25.00 C ATOM 1118 CH2 TRP A 665 -7.809 21.040 -43.179 1.00 25.00 C ATOM 0 H TRP A 665 -4.753 17.886 -39.683 1.00 25.00 H new ATOM 0 HA TRP A 665 -6.259 15.528 -38.666 1.00 25.00 H new ATOM 0 HB2 TRP A 665 -8.150 16.803 -39.932 1.00 25.00 H new ATOM 0 HB3 TRP A 665 -7.722 17.230 -38.288 1.00 25.00 H new ATOM 0 HD1 TRP A 665 -6.150 19.516 -38.021 1.00 25.00 H new ATOM 0 HE1 TRP A 665 -6.077 21.683 -39.374 1.00 25.00 H new ATOM 0 HE3 TRP A 665 -8.412 17.767 -42.260 1.00 25.00 H new ATOM 0 HZ2 TRP A 665 -6.856 22.532 -41.962 1.00 25.00 H new ATOM 0 HZ3 TRP A 665 -8.736 19.344 -44.177 1.00 25.00 H new ATOM 0 HH2 TRP A 665 -7.952 21.707 -44.016 1.00 25.00 H new ATOM 1129 N ASN A 666 -5.585 16.470 -41.756 1.00 25.00 N ATOM 1130 CA ASN A 666 -5.392 16.007 -43.137 1.00 25.00 C ATOM 1131 C ASN A 666 -4.062 15.276 -43.323 1.00 25.00 C ATOM 1132 O ASN A 666 -3.697 14.906 -44.437 1.00 25.00 O ATOM 1133 CB ASN A 666 -5.422 17.203 -44.092 1.00 25.00 C ATOM 1134 CG ASN A 666 -4.294 18.170 -43.834 1.00 25.00 C ATOM 1135 OD1 ASN A 666 -4.172 18.725 -42.752 1.00 25.00 O ATOM 1136 ND2 ASN A 666 -3.464 18.370 -44.817 1.00 25.00 N ATOM 0 H ASN A 666 -5.378 17.460 -41.626 1.00 25.00 H new ATOM 0 HA ASN A 666 -6.202 15.311 -43.356 1.00 25.00 H new ATOM 0 HB2 ASN A 666 -5.363 16.846 -45.120 1.00 25.00 H new ATOM 0 HB3 ASN A 666 -6.374 17.723 -43.989 1.00 25.00 H new ATOM 0 HD21 ASN A 666 -2.678 19.009 -44.699 1.00 25.00 H new ATOM 0 HD22 ASN A 666 -3.600 17.888 -45.705 1.00 25.00 H new ATOM 1143 N ALA A 667 -3.347 15.076 -42.229 1.00 25.00 N ATOM 1144 CA ALA A 667 -2.071 14.381 -42.229 1.00 25.00 C ATOM 1145 C ALA A 667 -2.105 13.578 -40.940 1.00 25.00 C ATOM 1146 O ALA A 667 -2.887 13.897 -40.046 1.00 25.00 O ATOM 1147 CB ALA A 667 -0.902 15.377 -42.255 1.00 25.00 C ATOM 0 H ALA A 667 -3.639 15.395 -41.305 1.00 25.00 H new ATOM 0 HA ALA A 667 -1.924 13.750 -43.106 1.00 25.00 H new ATOM 0 HB1 ALA A 667 0.041 14.831 -42.254 1.00 25.00 H new ATOM 0 HB2 ALA A 667 -0.966 15.990 -43.154 1.00 25.00 H new ATOM 0 HB3 ALA A 667 -0.951 16.018 -41.375 1.00 25.00 H new ATOM 1153 N GLU A 668 -1.298 12.535 -40.844 1.00 25.00 N ATOM 1154 CA GLU A 668 -1.367 11.655 -39.685 1.00 25.00 C ATOM 1155 C GLU A 668 -0.488 12.068 -38.518 1.00 25.00 C ATOM 1156 O GLU A 668 0.507 12.788 -38.665 1.00 25.00 O ATOM 1157 CB GLU A 668 -1.096 10.206 -40.097 1.00 25.00 C ATOM 1158 CG GLU A 668 0.324 9.883 -40.516 1.00 25.00 C ATOM 1159 CD GLU A 668 0.437 8.454 -41.051 1.00 25.00 C ATOM 1160 OE1 GLU A 668 1.574 7.999 -41.292 1.00 25.00 O ATOM 1161 OE2 GLU A 668 -0.615 7.790 -41.237 1.00 25.00 O ATOM 0 H GLU A 668 -0.598 12.278 -41.540 1.00 25.00 H new ATOM 0 HA GLU A 668 -2.386 11.745 -39.309 1.00 25.00 H new ATOM 0 HB2 GLU A 668 -1.363 9.557 -39.263 1.00 25.00 H new ATOM 0 HB3 GLU A 668 -1.762 9.954 -40.922 1.00 25.00 H new ATOM 0 HG2 GLU A 668 0.648 10.587 -41.283 1.00 25.00 H new ATOM 0 HG3 GLU A 668 0.994 10.009 -39.665 1.00 25.00 H new ATOM 1168 N TYR A 669 -0.889 11.602 -37.349 1.00 25.00 N ATOM 1169 CA TYR A 669 -0.214 11.901 -36.103 1.00 25.00 C ATOM 1170 C TYR A 669 -0.318 10.672 -35.218 1.00 25.00 C ATOM 1171 O TYR A 669 -1.181 9.821 -35.438 1.00 25.00 O ATOM 1172 CB TYR A 669 -0.887 13.099 -35.427 1.00 25.00 C ATOM 1173 CG TYR A 669 -2.351 12.888 -35.160 1.00 25.00 C ATOM 1174 CD1 TYR A 669 -3.307 13.152 -36.157 1.00 25.00 C ATOM 1175 CD2 TYR A 669 -2.796 12.422 -33.908 1.00 25.00 C ATOM 1176 CE1 TYR A 669 -4.678 12.960 -35.915 1.00 25.00 C ATOM 1177 CE2 TYR A 669 -4.173 12.235 -33.658 1.00 25.00 C ATOM 1178 CZ TYR A 669 -5.098 12.514 -34.666 1.00 25.00 C ATOM 1179 OH TYR A 669 -6.428 12.358 -34.436 1.00 25.00 O ATOM 0 H TYR A 669 -1.703 10.998 -37.239 1.00 25.00 H new ATOM 0 HA TYR A 669 0.832 12.152 -36.279 1.00 25.00 H new ATOM 0 HB2 TYR A 669 -0.380 13.308 -34.485 1.00 25.00 H new ATOM 0 HB3 TYR A 669 -0.763 13.979 -36.058 1.00 25.00 H new ATOM 0 HD1 TYR A 669 -2.983 13.508 -37.124 1.00 25.00 H new ATOM 0 HD2 TYR A 669 -2.077 12.206 -33.132 1.00 25.00 H new ATOM 0 HE1 TYR A 669 -5.400 13.157 -36.693 1.00 25.00 H new ATOM 0 HE2 TYR A 669 -4.508 11.879 -32.695 1.00 25.00 H new ATOM 0 HH TYR A 669 -6.798 11.716 -35.078 1.00 25.00 H new ATOM 1189 N GLU A 670 0.558 10.580 -34.232 1.00 25.00 N ATOM 1190 CA GLU A 670 0.598 9.441 -33.319 1.00 25.00 C ATOM 1191 C GLU A 670 0.399 9.935 -31.890 1.00 25.00 C ATOM 1192 O GLU A 670 0.850 11.025 -31.524 1.00 25.00 O ATOM 1193 CB GLU A 670 1.931 8.694 -33.457 1.00 25.00 C ATOM 1194 CG GLU A 670 3.158 9.538 -33.134 1.00 25.00 C ATOM 1195 CD GLU A 670 4.458 8.803 -33.402 1.00 25.00 C ATOM 1196 OE1 GLU A 670 4.704 7.762 -32.760 1.00 25.00 O ATOM 1197 OE2 GLU A 670 5.244 9.274 -34.254 1.00 25.00 O ATOM 0 H GLU A 670 1.263 11.291 -34.038 1.00 25.00 H new ATOM 0 HA GLU A 670 -0.203 8.746 -33.569 1.00 25.00 H new ATOM 0 HB2 GLU A 670 1.918 7.826 -32.798 1.00 25.00 H new ATOM 0 HB3 GLU A 670 2.020 8.319 -34.477 1.00 25.00 H new ATOM 0 HG2 GLU A 670 3.132 10.452 -33.728 1.00 25.00 H new ATOM 0 HG3 GLU A 670 3.123 9.837 -32.086 1.00 25.00 H new ATOM 1204 N VAL A 671 -0.292 9.138 -31.090 1.00 25.00 N ATOM 1205 CA VAL A 671 -0.616 9.495 -29.709 1.00 25.00 C ATOM 1206 C VAL A 671 -0.223 8.375 -28.764 1.00 25.00 C ATOM 1207 O VAL A 671 -0.542 7.228 -29.024 1.00 25.00 O ATOM 1208 CB VAL A 671 -2.154 9.698 -29.560 1.00 25.00 C ATOM 1209 CG1 VAL A 671 -2.534 10.051 -28.112 1.00 25.00 C ATOM 1210 CG2 VAL A 671 -2.662 10.787 -30.518 1.00 25.00 C ATOM 0 H VAL A 671 -0.646 8.225 -31.375 1.00 25.00 H new ATOM 0 HA VAL A 671 -0.073 10.409 -29.467 1.00 25.00 H new ATOM 0 HB VAL A 671 -2.632 8.754 -29.820 1.00 25.00 H new ATOM 0 HG11 VAL A 671 -3.613 10.186 -28.042 1.00 25.00 H new ATOM 0 HG12 VAL A 671 -2.225 9.244 -27.448 1.00 25.00 H new ATOM 0 HG13 VAL A 671 -2.033 10.974 -27.819 1.00 25.00 H new ATOM 0 HG21 VAL A 671 -3.738 10.908 -30.393 1.00 25.00 H new ATOM 0 HG22 VAL A 671 -2.162 11.730 -30.295 1.00 25.00 H new ATOM 0 HG23 VAL A 671 -2.446 10.497 -31.546 1.00 25.00 H new ATOM 1220 N TYR A 672 0.439 8.715 -27.666 1.00 25.00 N ATOM 1221 CA TYR A 672 0.780 7.768 -26.603 1.00 25.00 C ATOM 1222 C TYR A 672 0.139 8.280 -25.330 1.00 25.00 C ATOM 1223 O TYR A 672 0.164 9.474 -25.065 1.00 25.00 O ATOM 1224 CB TYR A 672 2.291 7.690 -26.393 1.00 25.00 C ATOM 1225 CG TYR A 672 2.970 6.807 -27.397 1.00 25.00 C ATOM 1226 CD1 TYR A 672 3.374 5.501 -27.048 1.00 25.00 C ATOM 1227 CD2 TYR A 672 3.201 7.257 -28.705 1.00 25.00 C ATOM 1228 CE1 TYR A 672 3.984 4.650 -28.002 1.00 25.00 C ATOM 1229 CE2 TYR A 672 3.824 6.410 -29.666 1.00 25.00 C ATOM 1230 CZ TYR A 672 4.206 5.114 -29.305 1.00 25.00 C ATOM 1231 OH TYR A 672 4.789 4.289 -30.230 1.00 25.00 O ATOM 0 H TYR A 672 0.760 9.666 -27.483 1.00 25.00 H new ATOM 0 HA TYR A 672 0.425 6.773 -26.871 1.00 25.00 H new ATOM 0 HB2 TYR A 672 2.714 8.693 -26.452 1.00 25.00 H new ATOM 0 HB3 TYR A 672 2.495 7.316 -25.390 1.00 25.00 H new ATOM 0 HD1 TYR A 672 3.216 5.146 -26.040 1.00 25.00 H new ATOM 0 HD2 TYR A 672 2.903 8.256 -28.987 1.00 25.00 H new ATOM 0 HE1 TYR A 672 4.277 3.648 -27.726 1.00 25.00 H new ATOM 0 HE2 TYR A 672 4.001 6.767 -30.670 1.00 25.00 H new ATOM 0 HH TYR A 672 4.871 4.762 -31.084 1.00 25.00 H new ATOM 1241 N VAL A 673 -0.424 7.389 -24.534 1.00 25.00 N ATOM 1242 CA VAL A 673 -1.083 7.781 -23.293 1.00 25.00 C ATOM 1243 C VAL A 673 -0.717 6.769 -22.214 1.00 25.00 C ATOM 1244 O VAL A 673 -0.654 5.559 -22.477 1.00 25.00 O ATOM 1245 CB VAL A 673 -2.639 7.893 -23.510 1.00 25.00 C ATOM 1246 CG1 VAL A 673 -3.190 6.674 -24.278 1.00 25.00 C ATOM 1247 CG2 VAL A 673 -3.386 8.091 -22.180 1.00 25.00 C ATOM 0 H VAL A 673 -0.440 6.387 -24.722 1.00 25.00 H new ATOM 0 HA VAL A 673 -0.745 8.766 -22.972 1.00 25.00 H new ATOM 0 HB VAL A 673 -2.814 8.779 -24.120 1.00 25.00 H new ATOM 0 HG11 VAL A 673 -4.266 6.784 -24.410 1.00 25.00 H new ATOM 0 HG12 VAL A 673 -2.709 6.611 -25.254 1.00 25.00 H new ATOM 0 HG13 VAL A 673 -2.985 5.765 -23.713 1.00 25.00 H new ATOM 0 HG21 VAL A 673 -4.457 8.164 -22.371 1.00 25.00 H new ATOM 0 HG22 VAL A 673 -3.192 7.243 -21.524 1.00 25.00 H new ATOM 0 HG23 VAL A 673 -3.040 9.007 -21.701 1.00 25.00 H new ATOM 1257 N VAL A 674 -0.462 7.269 -21.011 1.00 25.00 N ATOM 1258 CA VAL A 674 -0.146 6.433 -19.856 1.00 25.00 C ATOM 1259 C VAL A 674 -0.896 6.968 -18.644 1.00 25.00 C ATOM 1260 O VAL A 674 -1.323 8.130 -18.615 1.00 25.00 O ATOM 1261 CB VAL A 674 1.389 6.422 -19.519 1.00 25.00 C ATOM 1262 CG1 VAL A 674 2.180 5.756 -20.633 1.00 25.00 C ATOM 1263 CG2 VAL A 674 1.925 7.840 -19.289 1.00 25.00 C ATOM 0 H VAL A 674 -0.468 8.268 -20.807 1.00 25.00 H new ATOM 0 HA VAL A 674 -0.444 5.413 -20.100 1.00 25.00 H new ATOM 0 HB VAL A 674 1.512 5.852 -18.598 1.00 25.00 H new ATOM 0 HG11 VAL A 674 3.240 5.759 -20.379 1.00 25.00 H new ATOM 0 HG12 VAL A 674 1.840 4.728 -20.756 1.00 25.00 H new ATOM 0 HG13 VAL A 674 2.028 6.302 -21.564 1.00 25.00 H new ATOM 0 HG21 VAL A 674 2.989 7.794 -19.058 1.00 25.00 H new ATOM 0 HG22 VAL A 674 1.774 8.436 -20.189 1.00 25.00 H new ATOM 0 HG23 VAL A 674 1.393 8.299 -18.456 1.00 25.00 H new ATOM 1273 N ALA A 675 -1.039 6.119 -17.642 1.00 25.00 N ATOM 1274 CA ALA A 675 -1.656 6.490 -16.381 1.00 25.00 C ATOM 1275 C ALA A 675 -0.563 6.420 -15.338 1.00 25.00 C ATOM 1276 O ALA A 675 0.373 5.637 -15.469 1.00 25.00 O ATOM 1277 CB ALA A 675 -2.774 5.546 -16.052 1.00 25.00 C ATOM 0 H ALA A 675 -0.729 5.148 -17.680 1.00 25.00 H new ATOM 0 HA ALA A 675 -2.088 7.490 -16.425 1.00 25.00 H new ATOM 0 HB1 ALA A 675 -3.228 5.836 -15.104 1.00 25.00 H new ATOM 0 HB2 ALA A 675 -3.526 5.583 -16.841 1.00 25.00 H new ATOM 0 HB3 ALA A 675 -2.382 4.532 -15.972 1.00 25.00 H new ATOM 1283 N GLU A 676 -0.675 7.242 -14.316 1.00 25.00 N ATOM 1284 CA GLU A 676 0.298 7.285 -13.242 1.00 25.00 C ATOM 1285 C GLU A 676 -0.456 7.171 -11.939 1.00 25.00 C ATOM 1286 O GLU A 676 -1.265 8.035 -11.623 1.00 25.00 O ATOM 1287 CB GLU A 676 1.052 8.610 -13.324 1.00 25.00 C ATOM 1288 CG GLU A 676 2.160 8.780 -12.326 1.00 25.00 C ATOM 1289 CD GLU A 676 2.929 10.059 -12.555 1.00 25.00 C ATOM 1290 OE1 GLU A 676 2.503 11.117 -12.048 1.00 25.00 O ATOM 1291 OE2 GLU A 676 3.966 10.010 -13.258 1.00 25.00 O ATOM 0 H GLU A 676 -1.445 7.902 -14.205 1.00 25.00 H new ATOM 0 HA GLU A 676 1.020 6.471 -13.315 1.00 25.00 H new ATOM 0 HB2 GLU A 676 1.469 8.710 -14.326 1.00 25.00 H new ATOM 0 HB3 GLU A 676 0.339 9.424 -13.193 1.00 25.00 H new ATOM 0 HG2 GLU A 676 1.745 8.781 -11.318 1.00 25.00 H new ATOM 0 HG3 GLU A 676 2.840 7.931 -12.390 1.00 25.00 H new ATOM 1298 N ASN A 677 -0.215 6.115 -11.178 1.00 25.00 N ATOM 1299 CA ASN A 677 -0.888 5.952 -9.895 1.00 25.00 C ATOM 1300 C ASN A 677 0.137 6.303 -8.828 1.00 25.00 C ATOM 1301 O ASN A 677 1.247 6.707 -9.141 1.00 25.00 O ATOM 1302 CB ASN A 677 -1.570 4.565 -9.729 1.00 25.00 C ATOM 1303 CG ASN A 677 -0.618 3.442 -9.386 1.00 25.00 C ATOM 1304 OD1 ASN A 677 0.579 3.592 -9.379 1.00 25.00 O ATOM 1305 ND2 ASN A 677 -1.175 2.300 -9.086 1.00 25.00 N ATOM 0 H ASN A 677 0.433 5.365 -11.420 1.00 25.00 H new ATOM 0 HA ASN A 677 -1.741 6.625 -9.807 1.00 25.00 H new ATOM 0 HB2 ASN A 677 -2.326 4.636 -8.947 1.00 25.00 H new ATOM 0 HB3 ASN A 677 -2.090 4.315 -10.654 1.00 25.00 H new ATOM 0 HD21 ASN A 677 -0.594 1.500 -8.836 1.00 25.00 H new ATOM 0 HD22 ASN A 677 -2.191 2.208 -9.102 1.00 25.00 H new ATOM 1312 N GLN A 678 -0.232 6.178 -7.571 1.00 25.00 N ATOM 1313 CA GLN A 678 0.652 6.586 -6.483 1.00 25.00 C ATOM 1314 C GLN A 678 1.853 5.637 -6.247 1.00 25.00 C ATOM 1315 O GLN A 678 2.651 5.857 -5.344 1.00 25.00 O ATOM 1316 CB GLN A 678 -0.212 6.801 -5.237 1.00 25.00 C ATOM 1317 CG GLN A 678 0.442 7.650 -4.144 1.00 25.00 C ATOM 1318 CD GLN A 678 -0.546 8.092 -3.098 1.00 25.00 C ATOM 1319 OE1 GLN A 678 -1.460 8.844 -3.385 1.00 25.00 O ATOM 1320 NE2 GLN A 678 -0.367 7.641 -1.886 1.00 25.00 N ATOM 0 H GLN A 678 -1.131 5.800 -7.271 1.00 25.00 H new ATOM 0 HA GLN A 678 1.142 7.520 -6.757 1.00 25.00 H new ATOM 0 HB2 GLN A 678 -1.146 7.276 -5.537 1.00 25.00 H new ATOM 0 HB3 GLN A 678 -0.469 5.828 -4.818 1.00 25.00 H new ATOM 0 HG2 GLN A 678 1.239 7.077 -3.669 1.00 25.00 H new ATOM 0 HG3 GLN A 678 0.906 8.527 -4.596 1.00 25.00 H new ATOM 0 HE21 GLN A 678 0.411 7.012 -1.685 1.00 25.00 H new ATOM 0 HE22 GLN A 678 -1.005 7.917 -1.140 1.00 25.00 H new ATOM 1329 N GLN A 679 1.982 4.594 -7.062 1.00 25.00 N ATOM 1330 CA GLN A 679 3.088 3.635 -6.940 1.00 25.00 C ATOM 1331 C GLN A 679 3.963 3.526 -8.200 1.00 25.00 C ATOM 1332 O GLN A 679 5.132 3.177 -8.100 1.00 25.00 O ATOM 1333 CB GLN A 679 2.524 2.249 -6.618 1.00 25.00 C ATOM 1334 CG GLN A 679 2.756 1.801 -5.171 1.00 25.00 C ATOM 1335 CD GLN A 679 1.987 2.612 -4.129 1.00 25.00 C ATOM 1336 OE1 GLN A 679 2.471 2.828 -3.026 1.00 25.00 O ATOM 1337 NE2 GLN A 679 0.793 3.041 -4.460 1.00 25.00 N ATOM 0 H GLN A 679 1.332 4.386 -7.820 1.00 25.00 H new ATOM 0 HA GLN A 679 3.727 4.009 -6.140 1.00 25.00 H new ATOM 0 HB2 GLN A 679 1.453 2.248 -6.820 1.00 25.00 H new ATOM 0 HB3 GLN A 679 2.976 1.519 -7.290 1.00 25.00 H new ATOM 0 HG2 GLN A 679 2.474 0.752 -5.078 1.00 25.00 H new ATOM 0 HG3 GLN A 679 3.821 1.865 -4.950 1.00 25.00 H new ATOM 0 HE21 GLN A 679 0.419 2.843 -5.388 1.00 25.00 H new ATOM 0 HE22 GLN A 679 0.238 3.572 -3.789 1.00 25.00 H new ATOM 1346 N GLY A 680 3.400 3.804 -9.368 1.00 25.00 N ATOM 1347 CA GLY A 680 4.142 3.679 -10.613 1.00 25.00 C ATOM 1348 C GLY A 680 3.292 4.051 -11.815 1.00 25.00 C ATOM 1349 O GLY A 680 2.308 4.785 -11.668 1.00 25.00 O ATOM 0 H GLY A 680 2.435 4.116 -9.478 1.00 25.00 H new ATOM 0 HA2 GLY A 680 5.022 4.321 -10.578 1.00 25.00 H new ATOM 0 HA3 GLY A 680 4.498 2.655 -10.723 1.00 25.00 H new ATOM 1353 N LYS A 681 3.651 3.575 -13.002 1.00 25.00 N ATOM 1354 CA LYS A 681 2.942 3.952 -14.234 1.00 25.00 C ATOM 1355 C LYS A 681 2.456 2.775 -15.052 1.00 25.00 C ATOM 1356 O LYS A 681 2.927 1.662 -14.923 1.00 25.00 O ATOM 1357 CB LYS A 681 3.818 4.847 -15.111 1.00 25.00 C ATOM 1358 CG LYS A 681 3.940 6.250 -14.552 1.00 25.00 C ATOM 1359 CD LYS A 681 4.088 7.306 -15.644 1.00 25.00 C ATOM 1360 CE LYS A 681 5.511 7.802 -15.754 1.00 25.00 C ATOM 1361 NZ LYS A 681 5.592 9.262 -15.381 1.00 25.00 N ATOM 0 H LYS A 681 4.427 2.928 -13.144 1.00 25.00 H new ATOM 0 HA LYS A 681 2.057 4.493 -13.901 1.00 25.00 H new ATOM 0 HB2 LYS A 681 4.811 4.406 -15.201 1.00 25.00 H new ATOM 0 HB3 LYS A 681 3.397 4.893 -16.115 1.00 25.00 H new ATOM 0 HG2 LYS A 681 3.059 6.475 -13.951 1.00 25.00 H new ATOM 0 HG3 LYS A 681 4.802 6.298 -13.886 1.00 25.00 H new ATOM 0 HD2 LYS A 681 3.774 6.887 -16.600 1.00 25.00 H new ATOM 0 HD3 LYS A 681 3.426 8.145 -15.431 1.00 25.00 H new ATOM 0 HE2 LYS A 681 6.158 7.217 -15.100 1.00 25.00 H new ATOM 0 HE3 LYS A 681 5.874 7.660 -16.772 1.00 25.00 H new ATOM 0 HZ1 LYS A 681 6.576 9.507 -15.148 1.00 25.00 H new ATOM 0 HZ2 LYS A 681 5.271 9.843 -16.181 1.00 25.00 H new ATOM 0 HZ3 LYS A 681 4.986 9.444 -14.556 1.00 25.00 H new ATOM 1375 N SER A 682 1.482 3.056 -15.899 1.00 25.00 N ATOM 1376 CA SER A 682 0.860 2.036 -16.725 1.00 25.00 C ATOM 1377 C SER A 682 1.667 1.789 -17.981 1.00 25.00 C ATOM 1378 O SER A 682 2.485 2.623 -18.384 1.00 25.00 O ATOM 1379 CB SER A 682 -0.545 2.484 -17.136 1.00 25.00 C ATOM 1380 OG SER A 682 -0.508 3.312 -18.291 1.00 25.00 O ATOM 0 H SER A 682 1.101 3.993 -16.034 1.00 25.00 H new ATOM 0 HA SER A 682 0.812 1.118 -16.140 1.00 25.00 H new ATOM 0 HB2 SER A 682 -1.164 1.609 -17.333 1.00 25.00 H new ATOM 0 HB3 SER A 682 -1.011 3.026 -16.313 1.00 25.00 H new ATOM 0 HG SER A 682 -0.426 2.753 -19.092 1.00 25.00 H new ATOM 1386 N LYS A 683 1.420 0.661 -18.631 1.00 25.00 N ATOM 1387 CA LYS A 683 2.044 0.403 -19.922 1.00 25.00 C ATOM 1388 C LYS A 683 1.414 1.411 -20.869 1.00 25.00 C ATOM 1389 O LYS A 683 0.227 1.707 -20.752 1.00 25.00 O ATOM 1390 CB LYS A 683 1.743 -1.008 -20.420 1.00 25.00 C ATOM 1391 CG LYS A 683 2.718 -1.495 -21.499 1.00 25.00 C ATOM 1392 CD LYS A 683 2.130 -2.624 -22.345 1.00 25.00 C ATOM 1393 CE LYS A 683 1.090 -2.073 -23.325 1.00 25.00 C ATOM 1394 NZ LYS A 683 0.538 -3.122 -24.247 1.00 25.00 N ATOM 0 H LYS A 683 0.804 -0.079 -18.294 1.00 25.00 H new ATOM 0 HA LYS A 683 3.128 0.491 -19.856 1.00 25.00 H new ATOM 0 HB2 LYS A 683 1.773 -1.697 -19.576 1.00 25.00 H new ATOM 0 HB3 LYS A 683 0.729 -1.036 -20.818 1.00 25.00 H new ATOM 0 HG2 LYS A 683 2.986 -0.660 -22.147 1.00 25.00 H new ATOM 0 HG3 LYS A 683 3.638 -1.839 -21.026 1.00 25.00 H new ATOM 0 HD2 LYS A 683 2.926 -3.127 -22.894 1.00 25.00 H new ATOM 0 HD3 LYS A 683 1.669 -3.370 -21.697 1.00 25.00 H new ATOM 0 HE2 LYS A 683 0.271 -1.624 -22.763 1.00 25.00 H new ATOM 0 HE3 LYS A 683 1.543 -1.278 -23.918 1.00 25.00 H new ATOM 0 HZ1 LYS A 683 -0.160 -2.690 -24.886 1.00 25.00 H new ATOM 0 HZ2 LYS A 683 1.312 -3.534 -24.807 1.00 25.00 H new ATOM 0 HZ3 LYS A 683 0.079 -3.869 -23.688 1.00 25.00 H new ATOM 1408 N ALA A 684 2.186 1.926 -21.805 1.00 25.00 N ATOM 1409 CA ALA A 684 1.659 2.873 -22.772 1.00 25.00 C ATOM 1410 C ALA A 684 0.740 2.188 -23.777 1.00 25.00 C ATOM 1411 O ALA A 684 0.953 1.029 -24.143 1.00 25.00 O ATOM 1412 CB ALA A 684 2.815 3.544 -23.505 1.00 25.00 C ATOM 0 H ALA A 684 3.176 1.707 -21.918 1.00 25.00 H new ATOM 0 HA ALA A 684 1.073 3.620 -22.236 1.00 25.00 H new ATOM 0 HB1 ALA A 684 2.421 4.255 -24.231 1.00 25.00 H new ATOM 0 HB2 ALA A 684 3.445 4.069 -22.787 1.00 25.00 H new ATOM 0 HB3 ALA A 684 3.406 2.788 -24.021 1.00 25.00 H new ATOM 1418 N ALA A 685 -0.251 2.929 -24.242 1.00 25.00 N ATOM 1419 CA ALA A 685 -1.111 2.491 -25.330 1.00 25.00 C ATOM 1420 C ALA A 685 -0.926 3.581 -26.376 1.00 25.00 C ATOM 1421 O ALA A 685 -0.750 4.749 -26.013 1.00 25.00 O ATOM 1422 CB ALA A 685 -2.570 2.389 -24.879 1.00 25.00 C ATOM 0 H ALA A 685 -0.483 3.852 -23.876 1.00 25.00 H new ATOM 0 HA ALA A 685 -0.860 1.498 -25.701 1.00 25.00 H new ATOM 0 HB1 ALA A 685 -3.187 2.059 -25.715 1.00 25.00 H new ATOM 0 HB2 ALA A 685 -2.649 1.670 -24.064 1.00 25.00 H new ATOM 0 HB3 ALA A 685 -2.914 3.365 -24.537 1.00 25.00 H new ATOM 1428 N HIS A 686 -0.936 3.212 -27.646 1.00 25.00 N ATOM 1429 CA HIS A 686 -0.716 4.166 -28.722 1.00 25.00 C ATOM 1430 C HIS A 686 -1.546 3.891 -29.961 1.00 25.00 C ATOM 1431 O HIS A 686 -1.865 2.741 -30.258 1.00 25.00 O ATOM 1432 CB HIS A 686 0.759 4.183 -29.096 1.00 25.00 C ATOM 1433 CG HIS A 686 1.332 2.825 -29.358 1.00 25.00 C ATOM 1434 ND1 HIS A 686 1.360 2.215 -30.585 1.00 25.00 N ATOM 1435 CD2 HIS A 686 1.930 1.939 -28.512 1.00 25.00 C ATOM 1436 CE1 HIS A 686 1.944 1.028 -30.448 1.00 25.00 C ATOM 1437 NE2 HIS A 686 2.307 0.805 -29.199 1.00 25.00 N ATOM 0 H HIS A 686 -1.095 2.254 -27.959 1.00 25.00 H new ATOM 0 HA HIS A 686 -1.034 5.137 -28.342 1.00 25.00 H new ATOM 0 HB2 HIS A 686 0.892 4.801 -29.984 1.00 25.00 H new ATOM 0 HB3 HIS A 686 1.323 4.656 -28.292 1.00 25.00 H new ATOM 0 HD2 HIS A 686 2.086 2.102 -27.456 1.00 25.00 H new ATOM 0 HE1 HIS A 686 2.102 0.332 -31.259 1.00 25.00 H new ATOM 0 HE2 HIS A 686 2.766 -0.025 -28.824 1.00 25.00 H new ATOM 1445 N PHE A 687 -1.899 4.954 -30.674 1.00 25.00 N ATOM 1446 CA PHE A 687 -2.676 4.842 -31.906 1.00 25.00 C ATOM 1447 C PHE A 687 -2.294 5.958 -32.878 1.00 25.00 C ATOM 1448 O PHE A 687 -1.762 6.990 -32.460 1.00 25.00 O ATOM 1449 CB PHE A 687 -4.184 4.838 -31.604 1.00 25.00 C ATOM 1450 CG PHE A 687 -4.793 6.203 -31.443 1.00 25.00 C ATOM 1451 CD1 PHE A 687 -4.667 6.914 -30.235 1.00 25.00 C ATOM 1452 CD2 PHE A 687 -5.525 6.776 -32.497 1.00 25.00 C ATOM 1453 CE1 PHE A 687 -5.289 8.181 -30.074 1.00 25.00 C ATOM 1454 CE2 PHE A 687 -6.142 8.034 -32.348 1.00 25.00 C ATOM 1455 CZ PHE A 687 -6.033 8.736 -31.134 1.00 25.00 C ATOM 0 H PHE A 687 -1.658 5.912 -30.419 1.00 25.00 H new ATOM 0 HA PHE A 687 -2.441 3.891 -32.384 1.00 25.00 H new ATOM 0 HB2 PHE A 687 -4.701 4.316 -32.409 1.00 25.00 H new ATOM 0 HB3 PHE A 687 -4.357 4.267 -30.692 1.00 25.00 H new ATOM 0 HD1 PHE A 687 -4.092 6.493 -29.423 1.00 25.00 H new ATOM 0 HD2 PHE A 687 -5.616 6.245 -33.433 1.00 25.00 H new ATOM 0 HE1 PHE A 687 -5.192 8.717 -29.142 1.00 25.00 H new ATOM 0 HE2 PHE A 687 -6.700 8.460 -33.168 1.00 25.00 H new ATOM 0 HZ PHE A 687 -6.517 9.694 -31.015 1.00 25.00 H new ATOM 1465 N VAL A 688 -2.545 5.731 -34.161 1.00 25.00 N ATOM 1466 CA VAL A 688 -2.210 6.675 -35.235 1.00 25.00 C ATOM 1467 C VAL A 688 -3.518 6.967 -35.968 1.00 25.00 C ATOM 1468 O VAL A 688 -4.331 6.057 -36.140 1.00 25.00 O ATOM 1469 CB VAL A 688 -1.162 6.047 -36.221 1.00 25.00 C ATOM 1470 CG1 VAL A 688 -0.803 7.014 -37.365 1.00 25.00 C ATOM 1471 CG2 VAL A 688 0.120 5.658 -35.460 1.00 25.00 C ATOM 0 H VAL A 688 -2.992 4.878 -34.496 1.00 25.00 H new ATOM 0 HA VAL A 688 -1.765 7.585 -34.833 1.00 25.00 H new ATOM 0 HB VAL A 688 -1.618 5.158 -36.656 1.00 25.00 H new ATOM 0 HG11 VAL A 688 -0.075 6.542 -38.025 1.00 25.00 H new ATOM 0 HG12 VAL A 688 -1.702 7.258 -37.931 1.00 25.00 H new ATOM 0 HG13 VAL A 688 -0.377 7.927 -36.949 1.00 25.00 H new ATOM 0 HG21 VAL A 688 0.838 5.224 -36.155 1.00 25.00 H new ATOM 0 HG22 VAL A 688 0.553 6.546 -34.999 1.00 25.00 H new ATOM 0 HG23 VAL A 688 -0.123 4.929 -34.687 1.00 25.00 H new ATOM 1481 N PHE A 689 -3.738 8.209 -36.381 1.00 25.00 N ATOM 1482 CA PHE A 689 -4.992 8.586 -37.042 1.00 25.00 C ATOM 1483 C PHE A 689 -4.811 9.731 -38.041 1.00 25.00 C ATOM 1484 O PHE A 689 -3.907 10.543 -37.892 1.00 25.00 O ATOM 1485 CB PHE A 689 -5.994 9.008 -35.959 1.00 25.00 C ATOM 1486 CG PHE A 689 -7.373 9.312 -36.483 1.00 25.00 C ATOM 1487 CD1 PHE A 689 -7.743 10.635 -36.796 1.00 25.00 C ATOM 1488 CD2 PHE A 689 -8.313 8.282 -36.657 1.00 25.00 C ATOM 1489 CE1 PHE A 689 -9.042 10.931 -37.265 1.00 25.00 C ATOM 1490 CE2 PHE A 689 -9.616 8.565 -37.137 1.00 25.00 C ATOM 1491 CZ PHE A 689 -9.979 9.896 -37.437 1.00 25.00 C ATOM 0 H PHE A 689 -3.071 8.973 -36.273 1.00 25.00 H new ATOM 0 HA PHE A 689 -5.351 7.726 -37.607 1.00 25.00 H new ATOM 0 HB2 PHE A 689 -6.066 8.214 -35.216 1.00 25.00 H new ATOM 0 HB3 PHE A 689 -5.609 9.890 -35.446 1.00 25.00 H new ATOM 0 HD1 PHE A 689 -7.025 11.432 -36.676 1.00 25.00 H new ATOM 0 HD2 PHE A 689 -8.039 7.264 -36.422 1.00 25.00 H new ATOM 0 HE1 PHE A 689 -9.316 11.951 -37.491 1.00 25.00 H new ATOM 0 HE2 PHE A 689 -10.329 7.765 -37.273 1.00 25.00 H new ATOM 0 HZ PHE A 689 -10.972 10.119 -37.797 1.00 25.00 H new ATOM 1501 N ARG A 690 -5.692 9.786 -39.039 1.00 25.00 N ATOM 1502 CA ARG A 690 -5.756 10.875 -40.029 1.00 25.00 C ATOM 1503 C ARG A 690 -7.190 10.891 -40.540 1.00 25.00 C ATOM 1504 O ARG A 690 -7.872 9.873 -40.466 1.00 25.00 O ATOM 1505 CB ARG A 690 -4.770 10.691 -41.201 1.00 25.00 C ATOM 1506 CG ARG A 690 -4.362 9.248 -41.559 1.00 25.00 C ATOM 1507 CD ARG A 690 -5.442 8.494 -42.300 1.00 25.00 C ATOM 1508 NE ARG A 690 -4.949 7.182 -42.741 1.00 25.00 N ATOM 1509 CZ ARG A 690 -5.655 6.290 -43.425 1.00 25.00 C ATOM 1510 NH1 ARG A 690 -6.902 6.497 -43.775 1.00 25.00 N ATOM 1511 NH2 ARG A 690 -5.089 5.166 -43.763 1.00 25.00 N ATOM 0 H ARG A 690 -6.397 9.064 -39.190 1.00 25.00 H new ATOM 0 HA ARG A 690 -5.468 11.816 -39.559 1.00 25.00 H new ATOM 0 HB2 ARG A 690 -5.210 11.147 -42.088 1.00 25.00 H new ATOM 0 HB3 ARG A 690 -3.864 11.251 -40.971 1.00 25.00 H new ATOM 0 HG2 ARG A 690 -3.460 9.273 -42.170 1.00 25.00 H new ATOM 0 HG3 ARG A 690 -4.113 8.709 -40.645 1.00 25.00 H new ATOM 0 HD2 ARG A 690 -6.310 8.364 -41.654 1.00 25.00 H new ATOM 0 HD3 ARG A 690 -5.771 9.073 -43.163 1.00 25.00 H new ATOM 0 HE ARG A 690 -3.988 6.937 -42.503 1.00 25.00 H new ATOM 0 HH11 ARG A 690 -7.365 7.370 -43.522 1.00 25.00 H new ATOM 0 HH12 ARG A 690 -7.409 5.785 -44.301 1.00 25.00 H new ATOM 0 HH21 ARG A 690 -4.120 4.984 -43.502 1.00 25.00 H new ATOM 0 HH22 ARG A 690 -5.615 4.468 -44.289 1.00 25.00 H new ATOM 1525 N THR A 691 -7.644 12.028 -41.041 1.00 25.00 N ATOM 1526 CA THR A 691 -9.018 12.189 -41.529 1.00 25.00 C ATOM 1527 C THR A 691 -8.992 13.201 -42.685 1.00 25.00 C ATOM 1528 O THR A 691 -7.939 13.733 -42.993 1.00 25.00 O ATOM 1529 CB THR A 691 -9.944 12.665 -40.365 1.00 25.00 C ATOM 1530 OG1 THR A 691 -11.272 12.896 -40.845 1.00 25.00 O ATOM 1531 CG2 THR A 691 -9.412 13.937 -39.713 1.00 25.00 C ATOM 0 H THR A 691 -7.075 12.871 -41.124 1.00 25.00 H new ATOM 0 HA THR A 691 -9.418 11.242 -41.890 1.00 25.00 H new ATOM 0 HB THR A 691 -9.960 11.873 -39.616 1.00 25.00 H new ATOM 0 HG1 THR A 691 -11.841 13.192 -40.104 1.00 25.00 H new ATOM 0 HG21 THR A 691 -10.081 14.240 -38.907 1.00 25.00 H new ATOM 0 HG22 THR A 691 -8.417 13.750 -39.308 1.00 25.00 H new ATOM 0 HG23 THR A 691 -9.357 14.732 -40.457 1.00 25.00 H new ATOM 1539 N HIS A 692 -10.134 13.443 -43.324 1.00 25.00 N ATOM 1540 CA HIS A 692 -10.263 14.400 -44.446 1.00 25.00 C ATOM 1541 C HIS A 692 -9.236 14.173 -45.569 1.00 25.00 C ATOM 1542 O HIS A 692 -8.877 15.096 -46.293 1.00 25.00 O ATOM 1543 CB HIS A 692 -10.146 15.849 -43.942 1.00 25.00 C ATOM 1544 CG HIS A 692 -11.024 16.156 -42.768 1.00 25.00 C ATOM 1545 ND1 HIS A 692 -12.396 16.121 -42.787 1.00 25.00 N ATOM 1546 CD2 HIS A 692 -10.701 16.527 -41.500 1.00 25.00 C ATOM 1547 CE1 HIS A 692 -12.837 16.447 -41.571 1.00 25.00 C ATOM 1548 NE2 HIS A 692 -11.842 16.698 -40.746 1.00 25.00 N ATOM 0 H HIS A 692 -11.011 12.981 -43.083 1.00 25.00 H new ATOM 0 HA HIS A 692 -11.252 14.224 -44.869 1.00 25.00 H new ATOM 0 HB2 HIS A 692 -9.109 16.046 -43.669 1.00 25.00 H new ATOM 0 HB3 HIS A 692 -10.395 16.528 -44.757 1.00 25.00 H new ATOM 0 HD2 HIS A 692 -9.694 16.668 -41.136 1.00 25.00 H new ATOM 0 HE1 HIS A 692 -13.880 16.499 -41.297 1.00 25.00 H new ATOM 0 HE2 HIS A 692 -11.902 16.962 -39.763 1.00 25.00 H new