USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 49 SER OG : rot 177:sc= -1.79! USER MOD Set 1.2: A 63 GLN : amide:sc= -4.35! C(o=-6.1!,f=-13!) USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.671 USER MOD Set 2.2: A 100 TYR OH : rot 158:sc= -2.85! USER MOD Set 3.1: A 17 ASN :FLIP amide:sc= 0.00431 F(o=-1.1,f=-0.13) USER MOD Set 3.2: A 22 GLN :FLIP amide:sc= -0.134 F(o=-2.2,f=-0.13) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 32 TYR OH : rot 158:sc= -1.12! USER MOD Single : A 33 ASN : amide:sc= -2.9! C(o=-2.9!,f=-5!) USER MOD Single : A 36 SER OG : rot -171:sc= 0.525 USER MOD Single : A 37 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 134:sc= 0.739 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.67! C(o=-2.7!,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 69 THR OG1 : rot 57:sc= 0.632 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.433 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 98:sc= -0.497! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=-0.23) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -126:sc= -0.419! USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.0051) USER MOD Single : A 107 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 55:sc= 0.0423 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -13.212 11.266 17.418 1.00 0.00 N ATOM 2 CA GLY A 9 -13.236 11.550 15.955 1.00 0.00 C ATOM 3 C GLY A 9 -11.820 11.422 15.388 1.00 0.00 C ATOM 4 O GLY A 9 -11.620 10.934 14.294 1.00 0.00 O ATOM 0 HA2 GLY A 9 -13.906 10.855 15.450 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.622 12.553 15.775 1.00 0.00 H new ATOM 7 N ALA A 10 -10.834 11.860 16.124 1.00 0.00 N ATOM 8 CA ALA A 10 -9.434 11.764 15.627 1.00 0.00 C ATOM 9 C ALA A 10 -9.092 10.300 15.339 1.00 0.00 C ATOM 10 O ALA A 10 -9.661 9.404 15.930 1.00 0.00 O ATOM 11 CB ALA A 10 -8.477 12.311 16.689 1.00 0.00 C ATOM 0 H ALA A 10 -10.939 12.280 17.048 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.334 12.347 14.711 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.452 12.241 16.326 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.719 13.354 16.894 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.578 11.728 17.605 1.00 0.00 H new ATOM 17 N PRO A 11 -8.171 10.107 14.432 1.00 0.00 N ATOM 18 CA PRO A 11 -7.701 8.754 14.013 1.00 0.00 C ATOM 19 C PRO A 11 -6.655 8.222 14.995 1.00 0.00 C ATOM 20 O PRO A 11 -6.086 8.961 15.773 1.00 0.00 O ATOM 21 CB PRO A 11 -7.084 9.016 12.645 1.00 0.00 C ATOM 22 CG PRO A 11 -6.687 10.489 12.608 1.00 0.00 C ATOM 23 CD PRO A 11 -7.473 11.214 13.706 1.00 0.00 C ATOM 0 HA PRO A 11 -8.493 8.006 13.988 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.214 8.378 12.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.796 8.789 11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.615 10.600 12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.909 10.920 11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.812 11.773 14.368 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.182 11.927 13.286 1.00 0.00 H new ATOM 31 N VAL A 12 -6.395 6.943 14.965 1.00 0.00 N ATOM 32 CA VAL A 12 -5.397 6.359 15.886 1.00 0.00 C ATOM 33 C VAL A 12 -4.161 5.968 15.076 1.00 0.00 C ATOM 34 O VAL A 12 -4.119 4.898 14.509 1.00 0.00 O ATOM 35 CB VAL A 12 -6.003 5.097 16.505 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.909 4.330 17.234 1.00 0.00 C ATOM 37 CG2 VAL A 12 -7.137 5.447 17.483 1.00 0.00 C ATOM 0 H VAL A 12 -6.839 6.277 14.333 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.124 7.072 16.664 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.425 4.483 15.709 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.331 3.429 17.679 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.126 4.054 16.528 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.486 4.957 18.018 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.548 4.531 17.907 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.746 6.074 18.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.922 5.985 16.952 1.00 0.00 H new ATOM 47 N PRO A 13 -3.189 6.839 15.039 1.00 0.00 N ATOM 48 CA PRO A 13 -1.927 6.594 14.279 1.00 0.00 C ATOM 49 C PRO A 13 -1.123 5.473 14.928 1.00 0.00 C ATOM 50 O PRO A 13 -1.170 5.264 16.125 1.00 0.00 O ATOM 51 CB PRO A 13 -1.206 7.936 14.347 1.00 0.00 C ATOM 52 CG PRO A 13 -1.764 8.665 15.559 1.00 0.00 C ATOM 53 CD PRO A 13 -3.195 8.159 15.753 1.00 0.00 C ATOM 0 HA PRO A 13 -2.090 6.270 13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.129 7.794 14.442 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.373 8.512 13.437 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.159 8.465 16.444 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.752 9.744 15.402 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.443 8.045 16.808 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.927 8.845 15.326 1.00 0.00 H new ATOM 61 N VAL A 14 -0.407 4.730 14.134 1.00 0.00 N ATOM 62 CA VAL A 14 0.384 3.594 14.677 1.00 0.00 C ATOM 63 C VAL A 14 1.873 3.943 14.679 1.00 0.00 C ATOM 64 O VAL A 14 2.305 4.890 14.051 1.00 0.00 O ATOM 65 CB VAL A 14 0.143 2.375 13.786 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.185 1.301 14.081 1.00 0.00 C ATOM 67 CG2 VAL A 14 -1.251 1.814 14.048 1.00 0.00 C ATOM 0 H VAL A 14 -0.335 4.862 13.125 1.00 0.00 H new ATOM 0 HA VAL A 14 0.077 3.383 15.701 1.00 0.00 H new ATOM 0 HB VAL A 14 0.224 2.678 12.742 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.007 0.436 13.442 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.181 1.697 13.885 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.113 1.001 15.126 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.419 0.945 13.411 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.334 1.519 15.094 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.998 2.577 13.826 1.00 0.00 H new ATOM 77 N ASP A 15 2.661 3.175 15.381 1.00 0.00 N ATOM 78 CA ASP A 15 4.127 3.443 15.433 1.00 0.00 C ATOM 79 C ASP A 15 4.838 2.202 15.976 1.00 0.00 C ATOM 80 O ASP A 15 4.215 1.293 16.485 1.00 0.00 O ATOM 81 CB ASP A 15 4.427 4.640 16.351 1.00 0.00 C ATOM 82 CG ASP A 15 3.127 5.342 16.760 1.00 0.00 C ATOM 83 OD1 ASP A 15 2.504 4.885 17.704 1.00 0.00 O ATOM 84 OD2 ASP A 15 2.781 6.322 16.123 1.00 0.00 O ATOM 0 H ASP A 15 2.351 2.369 15.924 1.00 0.00 H new ATOM 0 HA ASP A 15 4.481 3.676 14.429 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.959 4.300 17.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.082 5.344 15.838 1.00 0.00 H new ATOM 89 N GLU A 16 6.138 2.162 15.879 1.00 0.00 N ATOM 90 CA GLU A 16 6.891 0.983 16.398 1.00 0.00 C ATOM 91 C GLU A 16 6.757 -0.202 15.427 1.00 0.00 C ATOM 92 O GLU A 16 6.187 -1.218 15.766 1.00 0.00 O ATOM 93 CB GLU A 16 6.321 0.583 17.761 1.00 0.00 C ATOM 94 CG GLU A 16 7.470 0.359 18.747 1.00 0.00 C ATOM 95 CD GLU A 16 7.236 -0.941 19.517 1.00 0.00 C ATOM 96 OE1 GLU A 16 6.085 -1.293 19.713 1.00 0.00 O ATOM 97 OE2 GLU A 16 8.213 -1.564 19.899 1.00 0.00 O ATOM 0 H GLU A 16 6.713 2.895 15.463 1.00 0.00 H new ATOM 0 HA GLU A 16 7.944 1.247 16.495 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.656 1.362 18.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.726 -0.325 17.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.418 0.311 18.212 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.537 1.198 19.440 1.00 0.00 H new ATOM 104 N ASN A 17 7.282 -0.081 14.227 1.00 0.00 N ATOM 105 CA ASN A 17 7.195 -1.204 13.243 1.00 0.00 C ATOM 106 C ASN A 17 5.846 -1.179 12.520 1.00 0.00 C ATOM 107 O ASN A 17 5.676 -1.801 11.492 1.00 0.00 O ATOM 108 CB ASN A 17 7.365 -2.544 13.963 1.00 0.00 C ATOM 109 CG ASN A 17 7.969 -3.569 13.000 1.00 0.00 C ATOM 110 OD1 ASN A 17 7.185 -4.215 12.181 1.00 0.00 O flip ATOM 111 ND2 ASN A 17 9.165 -3.783 12.995 1.00 0.00 N flip ATOM 0 H ASN A 17 7.767 0.750 13.889 1.00 0.00 H new ATOM 0 HA ASN A 17 7.992 -1.083 12.509 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.011 -2.422 14.833 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.401 -2.897 14.329 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.776 -3.277 13.636 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.558 -4.469 12.350 1.00 0.00 H new ATOM 118 N ASP A 18 4.891 -0.463 13.041 1.00 0.00 N ATOM 119 CA ASP A 18 3.560 -0.398 12.374 1.00 0.00 C ATOM 120 C ASP A 18 3.147 -1.796 11.911 1.00 0.00 C ATOM 121 O ASP A 18 3.216 -2.120 10.743 1.00 0.00 O ATOM 122 CB ASP A 18 3.645 0.538 11.167 1.00 0.00 C ATOM 123 CG ASP A 18 4.580 1.703 11.490 1.00 0.00 C ATOM 124 OD1 ASP A 18 5.768 1.461 11.635 1.00 0.00 O ATOM 125 OD2 ASP A 18 4.095 2.818 11.590 1.00 0.00 O ATOM 0 H ASP A 18 4.973 0.081 13.900 1.00 0.00 H new ATOM 0 HA ASP A 18 2.818 -0.020 13.078 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.012 -0.006 10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.653 0.913 10.914 1.00 0.00 H new ATOM 130 N GLU A 19 2.715 -2.624 12.820 1.00 0.00 N ATOM 131 CA GLU A 19 2.298 -4.002 12.431 1.00 0.00 C ATOM 132 C GLU A 19 0.898 -3.957 11.811 1.00 0.00 C ATOM 133 O GLU A 19 0.649 -4.545 10.773 1.00 0.00 O ATOM 134 CB GLU A 19 2.289 -4.906 13.668 1.00 0.00 C ATOM 135 CG GLU A 19 1.090 -4.553 14.551 1.00 0.00 C ATOM 136 CD GLU A 19 1.139 -5.386 15.833 1.00 0.00 C ATOM 137 OE1 GLU A 19 0.795 -6.556 15.769 1.00 0.00 O ATOM 138 OE2 GLU A 19 1.517 -4.841 16.857 1.00 0.00 O ATOM 0 H GLU A 19 2.632 -2.408 13.813 1.00 0.00 H new ATOM 0 HA GLU A 19 3.002 -4.402 11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.236 -5.952 13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.216 -4.782 14.228 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.104 -3.491 14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.161 -4.745 14.015 1.00 0.00 H new ATOM 145 N GLY A 20 -0.020 -3.259 12.429 1.00 0.00 N ATOM 146 CA GLY A 20 -1.394 -3.177 11.865 1.00 0.00 C ATOM 147 C GLY A 20 -1.327 -2.521 10.486 1.00 0.00 C ATOM 148 O GLY A 20 -1.871 -3.021 9.518 1.00 0.00 O ATOM 0 H GLY A 20 0.125 -2.745 13.298 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.829 -4.173 11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.039 -2.598 12.526 1.00 0.00 H new ATOM 152 N LEU A 21 -0.655 -1.407 10.385 1.00 0.00 N ATOM 153 CA LEU A 21 -0.557 -0.738 9.057 1.00 0.00 C ATOM 154 C LEU A 21 0.262 -1.620 8.120 1.00 0.00 C ATOM 155 O LEU A 21 0.265 -1.426 6.927 1.00 0.00 O ATOM 156 CB LEU A 21 0.114 0.639 9.144 1.00 0.00 C ATOM 157 CG LEU A 21 0.278 1.101 10.590 1.00 0.00 C ATOM 158 CD1 LEU A 21 0.953 2.474 10.598 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.097 1.202 11.253 1.00 0.00 C ATOM 0 H LEU A 21 -0.176 -0.936 11.153 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.571 -0.593 8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.091 0.598 8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.481 1.369 8.595 1.00 0.00 H new ATOM 0 HG LEU A 21 0.889 0.386 11.140 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.075 2.813 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.931 2.402 10.121 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.335 3.186 10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.980 1.532 12.285 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.711 1.921 10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.581 0.226 11.237 1.00 0.00 H new ATOM 171 N GLN A 22 0.965 -2.587 8.647 1.00 0.00 N ATOM 172 CA GLN A 22 1.773 -3.469 7.758 1.00 0.00 C ATOM 173 C GLN A 22 0.848 -4.445 7.033 1.00 0.00 C ATOM 174 O GLN A 22 0.954 -4.636 5.840 1.00 0.00 O ATOM 175 CB GLN A 22 2.809 -4.240 8.566 1.00 0.00 C ATOM 176 CG GLN A 22 4.152 -3.508 8.502 1.00 0.00 C ATOM 177 CD GLN A 22 5.188 -4.240 9.363 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.799 -5.147 10.218 1.00 0.00 O flip ATOM 179 NE2 GLN A 22 6.370 -3.979 9.257 1.00 0.00 N flip ATOM 0 H GLN A 22 1.014 -2.802 9.643 1.00 0.00 H new ATOM 0 HA GLN A 22 2.296 -2.850 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.482 -4.334 9.602 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.914 -5.251 8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.498 -3.454 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.034 -2.483 8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.678 -3.271 8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.054 -4.468 9.835 1.00 0.00 H new ATOM 188 N ARG A 23 -0.066 -5.055 7.730 1.00 0.00 N ATOM 189 CA ARG A 23 -0.998 -5.994 7.052 1.00 0.00 C ATOM 190 C ARG A 23 -1.919 -5.181 6.140 1.00 0.00 C ATOM 191 O ARG A 23 -2.387 -5.654 5.122 1.00 0.00 O ATOM 192 CB ARG A 23 -1.834 -6.737 8.097 1.00 0.00 C ATOM 193 CG ARG A 23 -2.071 -8.176 7.632 1.00 0.00 C ATOM 194 CD ARG A 23 -2.967 -8.898 8.641 1.00 0.00 C ATOM 195 NE ARG A 23 -3.057 -10.341 8.283 1.00 0.00 N ATOM 196 CZ ARG A 23 -1.980 -11.000 7.953 1.00 0.00 C ATOM 197 NH1 ARG A 23 -1.268 -11.590 8.873 1.00 0.00 N ATOM 198 NH2 ARG A 23 -1.617 -11.071 6.701 1.00 0.00 N ATOM 0 H ARG A 23 -0.208 -4.945 8.734 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.437 -6.723 6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.320 -6.734 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.787 -6.229 8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.538 -8.179 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.120 -8.699 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.563 -8.787 9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.961 -8.451 8.646 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.961 -10.814 8.296 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.553 -11.536 9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.426 -12.105 8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.175 -10.612 5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.775 -11.586 6.442 1.00 0.00 H new ATOM 212 N ALA A 24 -2.172 -3.951 6.501 1.00 0.00 N ATOM 213 CA ALA A 24 -3.056 -3.087 5.668 1.00 0.00 C ATOM 214 C ALA A 24 -2.344 -2.712 4.370 1.00 0.00 C ATOM 215 O ALA A 24 -2.890 -2.838 3.285 1.00 0.00 O ATOM 216 CB ALA A 24 -3.399 -1.813 6.444 1.00 0.00 C ATOM 0 H ALA A 24 -1.802 -3.506 7.341 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.970 -3.632 5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.045 -1.180 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.914 -2.077 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.482 -1.274 6.681 1.00 0.00 H new ATOM 222 N LEU A 25 -1.129 -2.250 4.467 1.00 0.00 N ATOM 223 CA LEU A 25 -0.389 -1.864 3.258 1.00 0.00 C ATOM 224 C LEU A 25 -0.133 -3.093 2.410 1.00 0.00 C ATOM 225 O LEU A 25 -0.143 -3.038 1.211 1.00 0.00 O ATOM 226 CB LEU A 25 0.922 -1.242 3.700 1.00 0.00 C ATOM 227 CG LEU A 25 1.800 -0.949 2.480 1.00 0.00 C ATOM 228 CD1 LEU A 25 2.582 0.345 2.713 1.00 0.00 C ATOM 229 CD2 LEU A 25 2.777 -2.105 2.268 1.00 0.00 C ATOM 0 H LEU A 25 -0.622 -2.126 5.344 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.958 -1.151 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.730 -0.321 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.443 -1.916 4.380 1.00 0.00 H new ATOM 0 HG LEU A 25 1.171 -0.838 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.207 0.554 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.885 1.169 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.212 0.235 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.403 -1.898 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.407 -2.216 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.219 -3.027 2.102 1.00 0.00 H new ATOM 241 N GLN A 26 0.096 -4.205 3.018 1.00 0.00 N ATOM 242 CA GLN A 26 0.351 -5.427 2.212 1.00 0.00 C ATOM 243 C GLN A 26 -0.944 -5.878 1.523 1.00 0.00 C ATOM 244 O GLN A 26 -0.914 -6.614 0.557 1.00 0.00 O ATOM 245 CB GLN A 26 0.875 -6.545 3.117 1.00 0.00 C ATOM 246 CG GLN A 26 1.035 -7.831 2.304 1.00 0.00 C ATOM 247 CD GLN A 26 1.676 -8.911 3.177 1.00 0.00 C ATOM 248 OE1 GLN A 26 1.564 -8.876 4.386 1.00 0.00 O ATOM 249 NE2 GLN A 26 2.351 -9.875 2.612 1.00 0.00 N ATOM 0 H GLN A 26 0.120 -4.330 4.030 1.00 0.00 H new ATOM 0 HA GLN A 26 1.099 -5.203 1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.832 -6.256 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.185 -6.710 3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.063 -8.169 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.653 -7.644 1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.445 -9.905 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.784 -10.599 3.186 1.00 0.00 H new ATOM 258 N PHE A 27 -2.076 -5.442 2.005 1.00 0.00 N ATOM 259 CA PHE A 27 -3.364 -5.844 1.372 1.00 0.00 C ATOM 260 C PHE A 27 -3.596 -5.022 0.107 1.00 0.00 C ATOM 261 O PHE A 27 -3.747 -5.545 -0.986 1.00 0.00 O ATOM 262 CB PHE A 27 -4.479 -5.559 2.361 1.00 0.00 C ATOM 263 CG PHE A 27 -5.765 -6.235 1.956 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.896 -6.834 0.698 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.843 -6.240 2.849 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.106 -7.435 0.336 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.048 -6.844 2.488 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.183 -7.440 1.232 1.00 0.00 C ATOM 0 H PHE A 27 -2.164 -4.824 2.811 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.340 -6.902 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.183 -5.902 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.639 -4.483 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.065 -6.832 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.742 -5.776 3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.210 -7.896 -0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.877 -6.851 3.180 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.117 -7.904 0.952 1.00 0.00 H new ATOM 278 N ALA A 28 -3.618 -3.736 0.251 1.00 0.00 N ATOM 279 CA ALA A 28 -3.840 -2.856 -0.930 1.00 0.00 C ATOM 280 C ALA A 28 -2.592 -2.858 -1.803 1.00 0.00 C ATOM 281 O ALA A 28 -2.663 -2.956 -3.011 1.00 0.00 O ATOM 282 CB ALA A 28 -4.132 -1.440 -0.450 1.00 0.00 C ATOM 0 H ALA A 28 -3.492 -3.248 1.138 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.685 -3.223 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.295 -0.791 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.024 -1.445 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.285 -1.070 0.128 1.00 0.00 H new ATOM 288 N ILE A 29 -1.449 -2.752 -1.198 1.00 0.00 N ATOM 289 CA ILE A 29 -0.195 -2.757 -1.992 1.00 0.00 C ATOM 290 C ILE A 29 -0.127 -4.065 -2.769 1.00 0.00 C ATOM 291 O ILE A 29 0.278 -4.112 -3.913 1.00 0.00 O ATOM 292 CB ILE A 29 1.024 -2.634 -1.055 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.189 -2.022 -1.818 1.00 0.00 C ATOM 294 CG2 ILE A 29 1.439 -4.004 -0.531 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.666 -0.821 -2.581 1.00 0.00 C ATOM 0 H ILE A 29 -1.327 -2.662 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.184 -1.912 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 29 0.751 -1.999 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.980 -1.722 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.621 -2.751 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.300 -3.896 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.612 -4.448 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.702 -4.650 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.482 -0.361 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.888 -1.141 -3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.252 -0.096 -1.880 1.00 0.00 H new ATOM 307 N ALA A 30 -0.541 -5.125 -2.147 1.00 0.00 N ATOM 308 CA ALA A 30 -0.539 -6.435 -2.837 1.00 0.00 C ATOM 309 C ALA A 30 -1.413 -6.286 -4.073 1.00 0.00 C ATOM 310 O ALA A 30 -1.160 -6.864 -5.115 1.00 0.00 O ATOM 311 CB ALA A 30 -1.131 -7.505 -1.913 1.00 0.00 C ATOM 0 H ALA A 30 -0.882 -5.140 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 30 0.474 -6.735 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.128 -8.468 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.532 -7.574 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.154 -7.235 -1.653 1.00 0.00 H new ATOM 317 N GLU A 31 -2.439 -5.488 -3.958 1.00 0.00 N ATOM 318 CA GLU A 31 -3.344 -5.266 -5.115 1.00 0.00 C ATOM 319 C GLU A 31 -2.683 -4.325 -6.121 1.00 0.00 C ATOM 320 O GLU A 31 -3.008 -4.341 -7.291 1.00 0.00 O ATOM 321 CB GLU A 31 -4.662 -4.657 -4.635 1.00 0.00 C ATOM 322 CG GLU A 31 -5.274 -5.550 -3.554 1.00 0.00 C ATOM 323 CD GLU A 31 -6.287 -6.503 -4.193 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.301 -6.590 -5.410 1.00 0.00 O ATOM 325 OE2 GLU A 31 -7.029 -7.128 -3.454 1.00 0.00 O ATOM 0 H GLU A 31 -2.688 -4.980 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.543 -6.224 -5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.490 -3.656 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.353 -4.555 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.492 -6.118 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.762 -4.938 -2.795 1.00 0.00 H new ATOM 332 N TYR A 32 -1.753 -3.511 -5.697 1.00 0.00 N ATOM 333 CA TYR A 32 -1.099 -2.609 -6.666 1.00 0.00 C ATOM 334 C TYR A 32 -0.210 -3.451 -7.573 1.00 0.00 C ATOM 335 O TYR A 32 -0.225 -3.321 -8.782 1.00 0.00 O ATOM 336 CB TYR A 32 -0.260 -1.586 -5.916 1.00 0.00 C ATOM 337 CG TYR A 32 -0.388 -0.238 -6.580 1.00 0.00 C ATOM 338 CD1 TYR A 32 -0.193 -0.092 -7.962 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.714 0.876 -5.805 1.00 0.00 C ATOM 340 CE1 TYR A 32 -0.322 1.164 -8.550 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.843 2.126 -6.391 1.00 0.00 C ATOM 342 CZ TYR A 32 -0.647 2.278 -7.767 1.00 0.00 C ATOM 343 OH TYR A 32 -0.776 3.521 -8.352 1.00 0.00 O ATOM 0 H TYR A 32 -1.427 -3.437 -4.733 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.843 -2.081 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.588 -1.523 -4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.784 -1.898 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.056 -0.951 -8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.867 0.764 -4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.171 1.279 -9.613 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.095 2.983 -5.784 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.326 4.096 -7.780 1.00 0.00 H new ATOM 353 N ASN A 33 0.560 -4.331 -6.990 1.00 0.00 N ATOM 354 CA ASN A 33 1.444 -5.200 -7.807 1.00 0.00 C ATOM 355 C ASN A 33 0.589 -6.085 -8.719 1.00 0.00 C ATOM 356 O ASN A 33 0.834 -6.178 -9.905 1.00 0.00 O ATOM 357 CB ASN A 33 2.292 -6.078 -6.884 1.00 0.00 C ATOM 358 CG ASN A 33 3.220 -6.955 -7.727 1.00 0.00 C ATOM 359 OD1 ASN A 33 2.798 -7.553 -8.697 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.479 -7.058 -7.394 1.00 0.00 N ATOM 0 H ASN A 33 0.612 -4.483 -5.983 1.00 0.00 H new ATOM 0 HA ASN A 33 2.100 -4.580 -8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.878 -5.455 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.648 -6.702 -6.265 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.107 -7.640 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.834 -6.556 -6.580 1.00 0.00 H new ATOM 367 N ARG A 34 -0.412 -6.738 -8.185 1.00 0.00 N ATOM 368 CA ARG A 34 -1.266 -7.604 -9.044 1.00 0.00 C ATOM 369 C ARG A 34 -2.051 -6.723 -10.014 1.00 0.00 C ATOM 370 O ARG A 34 -2.530 -7.176 -11.035 1.00 0.00 O ATOM 371 CB ARG A 34 -2.238 -8.400 -8.171 1.00 0.00 C ATOM 372 CG ARG A 34 -3.270 -7.452 -7.557 1.00 0.00 C ATOM 373 CD ARG A 34 -4.501 -7.385 -8.461 1.00 0.00 C ATOM 374 NE ARG A 34 -5.515 -8.372 -7.992 1.00 0.00 N ATOM 375 CZ ARG A 34 -5.750 -9.448 -8.693 1.00 0.00 C ATOM 376 NH1 ARG A 34 -6.125 -9.347 -9.939 1.00 0.00 N ATOM 377 NH2 ARG A 34 -5.610 -10.624 -8.146 1.00 0.00 N ATOM 0 H ARG A 34 -0.671 -6.708 -7.199 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.639 -8.299 -9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.739 -9.162 -8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.693 -8.920 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.553 -7.800 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.840 -6.458 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.922 -6.380 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.220 -7.598 -9.492 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.025 -8.207 -7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.235 -8.427 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.308 -10.188 -10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.317 -10.702 -7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.793 -11.466 -8.692 1.00 0.00 H new ATOM 391 N ALA A 35 -2.183 -5.467 -9.702 1.00 0.00 N ATOM 392 CA ALA A 35 -2.935 -4.545 -10.601 1.00 0.00 C ATOM 393 C ALA A 35 -2.049 -4.148 -11.784 1.00 0.00 C ATOM 394 O ALA A 35 -2.520 -3.631 -12.778 1.00 0.00 O ATOM 395 CB ALA A 35 -3.343 -3.293 -9.824 1.00 0.00 C ATOM 0 H ALA A 35 -1.802 -5.035 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.828 -5.048 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.893 -2.620 -10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.977 -3.577 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.451 -2.789 -9.452 1.00 0.00 H new ATOM 401 N SER A 36 -0.771 -4.386 -11.687 1.00 0.00 N ATOM 402 CA SER A 36 0.145 -4.024 -12.805 1.00 0.00 C ATOM 403 C SER A 36 0.179 -5.163 -13.826 1.00 0.00 C ATOM 404 O SER A 36 0.394 -4.950 -15.003 1.00 0.00 O ATOM 405 CB SER A 36 1.554 -3.789 -12.257 1.00 0.00 C ATOM 406 OG SER A 36 2.330 -4.966 -12.428 1.00 0.00 O ATOM 0 H SER A 36 -0.320 -4.817 -10.880 1.00 0.00 H new ATOM 0 HA SER A 36 -0.213 -3.114 -13.286 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.023 -2.953 -12.776 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.506 -3.523 -11.201 1.00 0.00 H new ATOM 0 HG SER A 36 3.179 -4.871 -11.947 1.00 0.00 H new ATOM 412 N ASN A 37 -0.034 -6.374 -13.384 1.00 0.00 N ATOM 413 CA ASN A 37 -0.018 -7.532 -14.324 1.00 0.00 C ATOM 414 C ASN A 37 1.430 -7.902 -14.662 1.00 0.00 C ATOM 415 O ASN A 37 2.352 -7.543 -13.957 1.00 0.00 O ATOM 416 CB ASN A 37 -0.764 -7.161 -15.607 1.00 0.00 C ATOM 417 CG ASN A 37 -1.965 -6.278 -15.262 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.343 -5.419 -16.033 1.00 0.00 O ATOM 419 ND2 ASN A 37 -2.582 -6.453 -14.125 1.00 0.00 N ATOM 0 H ASN A 37 -0.219 -6.611 -12.409 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.508 -8.385 -13.853 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.096 -6.635 -16.289 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.098 -8.063 -16.120 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.382 -5.868 -13.884 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.264 -7.175 -13.478 1.00 0.00 H new ATOM 426 N ASP A 38 1.637 -8.623 -15.733 1.00 0.00 N ATOM 427 CA ASP A 38 3.007 -9.024 -16.119 1.00 0.00 C ATOM 428 C ASP A 38 3.804 -7.799 -16.574 1.00 0.00 C ATOM 429 O ASP A 38 4.988 -7.878 -16.829 1.00 0.00 O ATOM 430 CB ASP A 38 2.881 -10.013 -17.264 1.00 0.00 C ATOM 431 CG ASP A 38 4.269 -10.394 -17.780 1.00 0.00 C ATOM 432 OD1 ASP A 38 4.884 -11.263 -17.183 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.695 -9.812 -18.764 1.00 0.00 O ATOM 0 H ASP A 38 0.901 -8.951 -16.359 1.00 0.00 H new ATOM 0 HA ASP A 38 3.529 -9.473 -15.274 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.351 -10.905 -16.929 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.292 -9.576 -18.070 1.00 0.00 H new ATOM 438 N LYS A 39 3.164 -6.668 -16.678 1.00 0.00 N ATOM 439 CA LYS A 39 3.885 -5.442 -17.116 1.00 0.00 C ATOM 440 C LYS A 39 5.121 -5.241 -16.238 1.00 0.00 C ATOM 441 O LYS A 39 6.230 -5.144 -16.718 1.00 0.00 O ATOM 442 CB LYS A 39 2.960 -4.230 -16.976 1.00 0.00 C ATOM 443 CG LYS A 39 1.692 -4.458 -17.802 1.00 0.00 C ATOM 444 CD LYS A 39 0.809 -3.210 -17.735 1.00 0.00 C ATOM 445 CE LYS A 39 -0.596 -3.552 -18.234 1.00 0.00 C ATOM 446 NZ LYS A 39 -0.958 -2.642 -19.358 1.00 0.00 N ATOM 0 H LYS A 39 2.172 -6.540 -16.478 1.00 0.00 H new ATOM 0 HA LYS A 39 4.189 -5.550 -18.157 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.702 -4.075 -15.928 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.470 -3.328 -17.315 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.954 -4.676 -18.837 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.148 -5.323 -17.422 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.763 -2.839 -16.711 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.239 -2.414 -18.343 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.633 -4.590 -18.565 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.317 -3.450 -17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.913 -2.873 -19.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.938 -1.656 -19.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.276 -2.761 -20.134 1.00 0.00 H new ATOM 460 N TYR A 40 4.928 -5.156 -14.958 1.00 0.00 N ATOM 461 CA TYR A 40 6.055 -4.940 -14.041 1.00 0.00 C ATOM 462 C TYR A 40 5.552 -5.185 -12.615 1.00 0.00 C ATOM 463 O TYR A 40 4.571 -5.873 -12.410 1.00 0.00 O ATOM 464 CB TYR A 40 6.502 -3.498 -14.222 1.00 0.00 C ATOM 465 CG TYR A 40 5.298 -2.611 -14.129 1.00 0.00 C ATOM 466 CD1 TYR A 40 4.875 -2.152 -12.881 1.00 0.00 C ATOM 467 CD2 TYR A 40 4.598 -2.259 -15.284 1.00 0.00 C ATOM 468 CE1 TYR A 40 3.749 -1.337 -12.782 1.00 0.00 C ATOM 469 CE2 TYR A 40 3.470 -1.443 -15.191 1.00 0.00 C ATOM 470 CZ TYR A 40 3.043 -0.979 -13.939 1.00 0.00 C ATOM 471 OH TYR A 40 1.927 -0.171 -13.846 1.00 0.00 O ATOM 0 H TYR A 40 4.016 -5.229 -14.506 1.00 0.00 H new ATOM 0 HA TYR A 40 6.892 -5.610 -14.237 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.231 -3.229 -13.457 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.992 -3.372 -15.188 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.421 -2.429 -11.991 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.929 -2.617 -16.248 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.421 -0.982 -11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.926 -1.169 -16.083 1.00 0.00 H new ATOM 0 HH TYR A 40 1.558 -0.019 -14.741 1.00 0.00 H new ATOM 481 N SER A 41 6.204 -4.645 -11.631 1.00 0.00 N ATOM 482 CA SER A 41 5.741 -4.875 -10.228 1.00 0.00 C ATOM 483 C SER A 41 5.574 -3.540 -9.490 1.00 0.00 C ATOM 484 O SER A 41 6.402 -2.657 -9.588 1.00 0.00 O ATOM 485 CB SER A 41 6.772 -5.732 -9.490 1.00 0.00 C ATOM 486 OG SER A 41 7.508 -6.501 -10.429 1.00 0.00 O ATOM 0 H SER A 41 7.032 -4.058 -11.729 1.00 0.00 H new ATOM 0 HA SER A 41 4.778 -5.386 -10.255 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.446 -5.096 -8.917 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.272 -6.389 -8.778 1.00 0.00 H new ATOM 0 HG SER A 41 8.169 -7.049 -9.957 1.00 0.00 H new ATOM 492 N SER A 42 4.511 -3.396 -8.737 1.00 0.00 N ATOM 493 CA SER A 42 4.294 -2.130 -7.978 1.00 0.00 C ATOM 494 C SER A 42 4.649 -2.366 -6.509 1.00 0.00 C ATOM 495 O SER A 42 4.180 -3.306 -5.900 1.00 0.00 O ATOM 496 CB SER A 42 2.825 -1.693 -8.084 1.00 0.00 C ATOM 497 OG SER A 42 2.295 -2.109 -9.334 1.00 0.00 O ATOM 0 H SER A 42 3.785 -4.102 -8.617 1.00 0.00 H new ATOM 0 HA SER A 42 4.926 -1.346 -8.396 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.246 -2.127 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.749 -0.610 -7.987 1.00 0.00 H new ATOM 0 HG SER A 42 1.417 -2.522 -9.196 1.00 0.00 H new ATOM 503 N ARG A 43 5.475 -1.534 -5.924 1.00 0.00 N ATOM 504 CA ARG A 43 5.835 -1.758 -4.492 1.00 0.00 C ATOM 505 C ARG A 43 5.835 -0.424 -3.755 1.00 0.00 C ATOM 506 O ARG A 43 6.218 0.578 -4.301 1.00 0.00 O ATOM 507 CB ARG A 43 7.227 -2.388 -4.407 1.00 0.00 C ATOM 508 CG ARG A 43 7.120 -3.896 -4.648 1.00 0.00 C ATOM 509 CD ARG A 43 7.165 -4.177 -6.150 1.00 0.00 C ATOM 510 NE ARG A 43 8.391 -4.959 -6.473 1.00 0.00 N ATOM 511 CZ ARG A 43 8.680 -6.033 -5.791 1.00 0.00 C ATOM 512 NH1 ARG A 43 9.411 -5.945 -4.713 1.00 0.00 N ATOM 513 NH2 ARG A 43 8.235 -7.195 -6.184 1.00 0.00 N ATOM 0 H ARG A 43 5.908 -0.724 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 43 5.106 -2.427 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.888 -1.937 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.666 -2.196 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.937 -4.414 -4.146 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.192 -4.278 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.277 -4.731 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.162 -3.240 -6.706 1.00 0.00 H new ATOM 0 HE ARG A 43 9.005 -4.654 -7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.756 -5.036 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.637 -6.785 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.661 -7.264 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.461 -8.035 -5.651 1.00 0.00 H new ATOM 527 N VAL A 44 5.404 -0.400 -2.521 1.00 0.00 N ATOM 528 CA VAL A 44 5.383 0.887 -1.766 1.00 0.00 C ATOM 529 C VAL A 44 6.724 1.606 -1.919 1.00 0.00 C ATOM 530 O VAL A 44 7.617 1.149 -2.602 1.00 0.00 O ATOM 531 CB VAL A 44 5.047 0.613 -0.297 1.00 0.00 C ATOM 532 CG1 VAL A 44 6.316 0.591 0.558 1.00 0.00 C ATOM 533 CG2 VAL A 44 4.103 1.709 0.198 1.00 0.00 C ATOM 0 H VAL A 44 5.067 -1.213 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 44 4.612 1.543 -2.171 1.00 0.00 H new ATOM 0 HB VAL A 44 4.569 -0.363 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.051 0.395 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.983 -0.193 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.819 1.556 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.853 1.529 1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.590 2.679 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.191 1.701 -0.399 1.00 0.00 H new ATOM 543 N VAL A 45 6.863 2.742 -1.301 1.00 0.00 N ATOM 544 CA VAL A 45 8.129 3.503 -1.436 1.00 0.00 C ATOM 545 C VAL A 45 8.350 4.292 -0.145 1.00 0.00 C ATOM 546 O VAL A 45 9.151 3.928 0.692 1.00 0.00 O ATOM 547 CB VAL A 45 8.021 4.478 -2.624 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.146 4.259 -3.602 1.00 0.00 C ATOM 549 CG2 VAL A 45 6.768 4.250 -3.428 1.00 0.00 C ATOM 0 H VAL A 45 6.155 3.175 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 45 8.962 2.823 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 45 8.037 5.474 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.048 4.959 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.100 4.421 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.105 3.238 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.732 4.959 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.768 3.233 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.896 4.393 -2.790 1.00 0.00 H new ATOM 559 N ARG A 46 7.623 5.360 0.022 1.00 0.00 N ATOM 560 CA ARG A 46 7.753 6.177 1.260 1.00 0.00 C ATOM 561 C ARG A 46 6.355 6.424 1.834 1.00 0.00 C ATOM 562 O ARG A 46 5.672 7.354 1.456 1.00 0.00 O ATOM 563 CB ARG A 46 8.413 7.516 0.925 1.00 0.00 C ATOM 564 CG ARG A 46 9.783 7.595 1.602 1.00 0.00 C ATOM 565 CD ARG A 46 9.933 8.951 2.294 1.00 0.00 C ATOM 566 NE ARG A 46 11.336 9.112 2.775 1.00 0.00 N ATOM 567 CZ ARG A 46 11.892 10.293 2.782 1.00 0.00 C ATOM 568 NH1 ARG A 46 11.505 11.193 3.647 1.00 0.00 N ATOM 569 NH2 ARG A 46 12.834 10.576 1.925 1.00 0.00 N ATOM 0 H ARG A 46 6.939 5.705 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 46 8.368 5.650 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.523 7.619 -0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.782 8.339 1.261 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.888 6.790 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.574 7.462 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.680 9.754 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.240 9.022 3.132 1.00 0.00 H new ATOM 0 HE ARG A 46 11.861 8.299 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.768 10.973 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.940 12.116 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 46 13.136 9.874 1.249 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.268 11.499 1.931 1.00 0.00 H new ATOM 583 N VAL A 47 5.920 5.590 2.743 1.00 0.00 N ATOM 584 CA VAL A 47 4.572 5.762 3.341 1.00 0.00 C ATOM 585 C VAL A 47 4.341 7.230 3.676 1.00 0.00 C ATOM 586 O VAL A 47 5.242 8.044 3.634 1.00 0.00 O ATOM 587 CB VAL A 47 4.475 4.886 4.584 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.493 5.480 5.593 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.000 3.488 4.181 1.00 0.00 C ATOM 0 H VAL A 47 6.449 4.792 3.096 1.00 0.00 H new ATOM 0 HA VAL A 47 3.799 5.458 2.635 1.00 0.00 H new ATOM 0 HB VAL A 47 5.460 4.830 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.441 4.837 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.832 6.473 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.505 5.554 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.929 2.858 5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.021 3.559 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.711 3.050 3.481 1.00 0.00 H new ATOM 599 N ILE A 48 3.126 7.572 3.975 1.00 0.00 N ATOM 600 CA ILE A 48 2.800 8.978 4.277 1.00 0.00 C ATOM 601 C ILE A 48 1.769 9.002 5.391 1.00 0.00 C ATOM 602 O ILE A 48 1.926 9.662 6.399 1.00 0.00 O ATOM 603 CB ILE A 48 2.175 9.567 3.025 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.254 9.841 1.979 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.443 10.870 3.359 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.582 10.079 0.626 1.00 0.00 C ATOM 0 H ILE A 48 2.338 6.927 4.023 1.00 0.00 H new ATOM 0 HA ILE A 48 3.686 9.538 4.578 1.00 0.00 H new ATOM 0 HB ILE A 48 1.459 8.849 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.844 10.712 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.941 8.997 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.000 11.281 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.658 10.670 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.150 11.588 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.343 10.276 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.010 9.195 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.912 10.936 0.698 1.00 0.00 H new ATOM 618 N SER A 49 0.699 8.290 5.192 1.00 0.00 N ATOM 619 CA SER A 49 -0.373 8.272 6.224 1.00 0.00 C ATOM 620 C SER A 49 -0.817 6.838 6.516 1.00 0.00 C ATOM 621 O SER A 49 -1.622 6.268 5.807 1.00 0.00 O ATOM 622 CB SER A 49 -1.573 9.078 5.724 1.00 0.00 C ATOM 623 OG SER A 49 -1.115 10.279 5.121 1.00 0.00 O ATOM 0 H SER A 49 0.519 7.722 4.364 1.00 0.00 H new ATOM 0 HA SER A 49 0.019 8.713 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.145 8.492 5.005 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.243 9.307 6.553 1.00 0.00 H new ATOM 0 HG SER A 49 -1.878 10.770 4.750 1.00 0.00 H new ATOM 629 N ALA A 50 -0.317 6.265 7.574 1.00 0.00 N ATOM 630 CA ALA A 50 -0.727 4.880 7.941 1.00 0.00 C ATOM 631 C ALA A 50 -1.414 4.939 9.309 1.00 0.00 C ATOM 632 O ALA A 50 -0.767 5.108 10.323 1.00 0.00 O ATOM 633 CB ALA A 50 0.505 3.981 8.036 1.00 0.00 C ATOM 0 H ALA A 50 0.360 6.697 8.203 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.401 4.476 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.198 2.970 8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.016 3.961 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.181 4.369 8.798 1.00 0.00 H new ATOM 639 N LYS A 51 -2.715 4.830 9.355 1.00 0.00 N ATOM 640 CA LYS A 51 -3.407 4.916 10.677 1.00 0.00 C ATOM 641 C LYS A 51 -4.593 3.953 10.738 1.00 0.00 C ATOM 642 O LYS A 51 -5.035 3.410 9.744 1.00 0.00 O ATOM 643 CB LYS A 51 -3.913 6.344 10.884 1.00 0.00 C ATOM 644 CG LYS A 51 -2.727 7.311 10.868 1.00 0.00 C ATOM 645 CD LYS A 51 -3.112 8.603 11.592 1.00 0.00 C ATOM 646 CE LYS A 51 -2.073 9.685 11.290 1.00 0.00 C ATOM 647 NZ LYS A 51 -2.353 10.888 12.123 1.00 0.00 N ATOM 0 H LYS A 51 -3.322 4.687 8.548 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.698 4.644 11.459 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.622 6.608 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.445 6.419 11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.864 6.853 11.352 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.437 7.530 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.100 8.932 11.270 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.169 8.428 12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.071 9.310 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.102 9.947 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.647 11.624 11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.303 11.249 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.304 10.632 13.130 1.00 0.00 H new ATOM 661 N ARG A 52 -5.108 3.756 11.920 1.00 0.00 N ATOM 662 CA ARG A 52 -6.275 2.843 12.109 1.00 0.00 C ATOM 663 C ARG A 52 -7.388 3.593 12.845 1.00 0.00 C ATOM 664 O ARG A 52 -7.515 3.488 14.048 1.00 0.00 O ATOM 665 CB ARG A 52 -5.875 1.622 12.970 1.00 0.00 C ATOM 666 CG ARG A 52 -4.598 1.932 13.755 1.00 0.00 C ATOM 667 CD ARG A 52 -4.316 0.799 14.742 1.00 0.00 C ATOM 668 NE ARG A 52 -5.416 0.725 15.745 1.00 0.00 N ATOM 669 CZ ARG A 52 -5.192 0.211 16.924 1.00 0.00 C ATOM 670 NH1 ARG A 52 -4.571 -0.932 17.030 1.00 0.00 N ATOM 671 NH2 ARG A 52 -5.589 0.839 17.997 1.00 0.00 N ATOM 0 H ARG A 52 -4.766 4.194 12.776 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.612 2.507 11.128 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.683 1.371 13.658 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.718 0.752 12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.758 2.050 13.071 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.708 2.875 14.290 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.231 -0.148 14.209 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.363 0.969 15.244 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.344 1.076 15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.261 -1.424 16.192 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.396 -1.334 17.951 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.075 1.732 17.915 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.414 0.437 18.918 1.00 0.00 H new ATOM 685 N GLN A 53 -8.206 4.338 12.145 1.00 0.00 N ATOM 686 CA GLN A 53 -9.309 5.061 12.841 1.00 0.00 C ATOM 687 C GLN A 53 -9.985 4.077 13.795 1.00 0.00 C ATOM 688 O GLN A 53 -9.991 2.886 13.554 1.00 0.00 O ATOM 689 CB GLN A 53 -10.322 5.578 11.816 1.00 0.00 C ATOM 690 CG GLN A 53 -10.215 7.102 11.721 1.00 0.00 C ATOM 691 CD GLN A 53 -11.356 7.644 10.858 1.00 0.00 C ATOM 692 OE1 GLN A 53 -11.237 7.721 9.651 1.00 0.00 O ATOM 693 NE2 GLN A 53 -12.466 8.023 11.429 1.00 0.00 N ATOM 0 H GLN A 53 -8.158 4.475 11.135 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.916 5.915 13.393 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.133 5.128 10.842 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.332 5.291 12.109 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.258 7.542 12.717 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.254 7.383 11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.566 7.959 12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.234 8.384 10.862 1.00 0.00 H new ATOM 702 N LEU A 54 -10.523 4.543 14.890 1.00 0.00 N ATOM 703 CA LEU A 54 -11.148 3.589 15.850 1.00 0.00 C ATOM 704 C LEU A 54 -12.647 3.859 16.020 1.00 0.00 C ATOM 705 O LEU A 54 -13.064 4.601 16.888 1.00 0.00 O ATOM 706 CB LEU A 54 -10.459 3.720 17.209 1.00 0.00 C ATOM 707 CG LEU A 54 -10.536 2.383 17.951 1.00 0.00 C ATOM 708 CD1 LEU A 54 -9.126 1.823 18.139 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.187 2.597 19.319 1.00 0.00 C ATOM 0 H LEU A 54 -10.557 5.526 15.158 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.027 2.581 15.453 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.418 4.014 17.074 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.938 4.503 17.797 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.132 1.678 17.371 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.180 0.871 18.667 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.662 1.671 17.165 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.529 2.527 18.720 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.242 1.646 19.848 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.591 3.301 19.899 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.192 2.997 19.185 1.00 0.00 H new ATOM 721 N VAL A 55 -13.458 3.224 15.222 1.00 0.00 N ATOM 722 CA VAL A 55 -14.930 3.385 15.350 1.00 0.00 C ATOM 723 C VAL A 55 -15.500 1.985 15.593 1.00 0.00 C ATOM 724 O VAL A 55 -14.800 1.130 16.099 1.00 0.00 O ATOM 725 CB VAL A 55 -15.487 3.996 14.058 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.641 2.916 12.984 1.00 0.00 C ATOM 727 CG2 VAL A 55 -16.847 4.640 14.338 1.00 0.00 C ATOM 0 H VAL A 55 -13.159 2.593 14.478 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.202 4.050 16.170 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.792 4.755 13.699 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.037 3.363 12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.669 2.469 12.776 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.327 2.146 13.338 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.241 5.073 13.419 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.539 3.883 14.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.731 5.423 15.088 1.00 0.00 H new ATOM 737 N SER A 56 -16.735 1.717 15.241 1.00 0.00 N ATOM 738 CA SER A 56 -17.268 0.335 15.466 1.00 0.00 C ATOM 739 C SER A 56 -16.185 -0.682 15.086 1.00 0.00 C ATOM 740 O SER A 56 -16.099 -1.755 15.641 1.00 0.00 O ATOM 741 CB SER A 56 -18.507 0.093 14.593 1.00 0.00 C ATOM 742 OG SER A 56 -18.126 0.106 13.225 1.00 0.00 O ATOM 0 H SER A 56 -17.385 2.379 14.817 1.00 0.00 H new ATOM 0 HA SER A 56 -17.544 0.225 16.515 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.963 -0.864 14.846 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.255 0.863 14.782 1.00 0.00 H new ATOM 0 HG SER A 56 -18.915 -0.050 12.664 1.00 0.00 H new ATOM 748 N GLY A 57 -15.348 -0.322 14.159 1.00 0.00 N ATOM 749 CA GLY A 57 -14.240 -1.217 13.729 1.00 0.00 C ATOM 750 C GLY A 57 -13.064 -0.308 13.348 1.00 0.00 C ATOM 751 O GLY A 57 -13.214 0.897 13.328 1.00 0.00 O ATOM 0 H GLY A 57 -15.385 0.573 13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.959 -1.898 14.532 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.545 -1.831 12.882 1.00 0.00 H new ATOM 755 N ILE A 58 -11.895 -0.822 13.045 1.00 0.00 N ATOM 756 CA ILE A 58 -10.803 0.120 12.688 1.00 0.00 C ATOM 757 C ILE A 58 -10.875 0.463 11.210 1.00 0.00 C ATOM 758 O ILE A 58 -11.323 -0.312 10.398 1.00 0.00 O ATOM 759 CB ILE A 58 -9.441 -0.519 12.938 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.233 -0.697 14.428 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.337 0.376 12.375 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.604 -2.123 14.771 1.00 0.00 C ATOM 0 H ILE A 58 -11.660 -1.815 13.030 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.922 1.013 13.302 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.404 -1.490 12.444 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.196 -0.495 14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.850 0.005 14.988 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.366 -0.086 12.557 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.483 0.503 11.302 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.373 1.349 12.864 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.466 -2.288 15.840 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.647 -2.301 14.508 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.967 -2.809 14.213 1.00 0.00 H new ATOM 774 N LYS A 59 -10.359 1.588 10.853 1.00 0.00 N ATOM 775 CA LYS A 59 -10.296 1.947 9.421 1.00 0.00 C ATOM 776 C LYS A 59 -8.826 2.098 9.137 1.00 0.00 C ATOM 777 O LYS A 59 -8.116 2.828 9.794 1.00 0.00 O ATOM 778 CB LYS A 59 -11.027 3.246 9.120 1.00 0.00 C ATOM 779 CG LYS A 59 -12.056 3.532 10.215 1.00 0.00 C ATOM 780 CD LYS A 59 -12.870 4.772 9.840 1.00 0.00 C ATOM 781 CE LYS A 59 -14.301 4.618 10.358 1.00 0.00 C ATOM 782 NZ LYS A 59 -15.245 5.283 9.415 1.00 0.00 N ATOM 0 H LYS A 59 -9.974 2.282 11.493 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.778 1.190 8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.314 4.068 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.523 3.178 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.717 2.674 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.553 3.689 11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.411 5.664 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.876 4.903 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.552 3.562 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.390 5.060 11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.218 5.179 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.009 6.293 9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.167 4.842 8.477 1.00 0.00 H new ATOM 796 N TYR A 60 -8.366 1.369 8.203 1.00 0.00 N ATOM 797 CA TYR A 60 -6.912 1.391 7.892 1.00 0.00 C ATOM 798 C TYR A 60 -6.620 2.384 6.790 1.00 0.00 C ATOM 799 O TYR A 60 -6.619 2.045 5.627 1.00 0.00 O ATOM 800 CB TYR A 60 -6.457 0.007 7.459 1.00 0.00 C ATOM 801 CG TYR A 60 -5.900 -0.764 8.650 1.00 0.00 C ATOM 802 CD1 TYR A 60 -5.074 -0.125 9.588 1.00 0.00 C ATOM 803 CD2 TYR A 60 -6.198 -2.129 8.810 1.00 0.00 C ATOM 804 CE1 TYR A 60 -4.554 -0.841 10.671 1.00 0.00 C ATOM 805 CE2 TYR A 60 -5.678 -2.839 9.896 1.00 0.00 C ATOM 806 CZ TYR A 60 -4.855 -2.198 10.825 1.00 0.00 C ATOM 807 OH TYR A 60 -4.341 -2.903 11.894 1.00 0.00 O ATOM 0 H TYR A 60 -8.925 0.744 7.623 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.371 1.691 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.294 -0.539 7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.695 0.093 6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.839 0.923 9.473 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.830 -2.630 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.919 -0.345 11.390 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.913 -3.886 10.017 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.649 -3.832 11.851 1.00 0.00 H new ATOM 817 N ILE A 61 -6.335 3.603 7.136 1.00 0.00 N ATOM 818 CA ILE A 61 -6.018 4.582 6.086 1.00 0.00 C ATOM 819 C ILE A 61 -4.548 4.422 5.746 1.00 0.00 C ATOM 820 O ILE A 61 -3.704 4.316 6.607 1.00 0.00 O ATOM 821 CB ILE A 61 -6.250 5.995 6.584 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.249 6.001 7.745 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.785 6.860 5.441 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.482 5.178 7.368 1.00 0.00 C ATOM 0 H ILE A 61 -6.310 3.955 8.093 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.655 4.412 5.218 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.302 6.400 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.784 5.588 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.541 7.024 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.951 7.876 5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.060 6.877 4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.726 6.444 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.191 5.184 8.196 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.952 5.611 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.183 4.152 7.154 1.00 0.00 H new ATOM 836 N LEU A 62 -4.244 4.362 4.507 1.00 0.00 N ATOM 837 CA LEU A 62 -2.873 4.167 4.086 1.00 0.00 C ATOM 838 C LEU A 62 -2.553 5.163 2.994 1.00 0.00 C ATOM 839 O LEU A 62 -3.367 5.456 2.151 1.00 0.00 O ATOM 840 CB LEU A 62 -2.838 2.794 3.481 1.00 0.00 C ATOM 841 CG LEU A 62 -1.473 2.133 3.599 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.409 3.059 3.042 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.185 1.822 5.054 1.00 0.00 C ATOM 0 H LEU A 62 -4.917 4.444 3.745 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.170 4.287 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.584 2.167 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.116 2.858 2.429 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.467 1.204 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.568 2.584 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.621 3.267 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.409 3.993 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.207 1.348 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.192 2.746 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.949 1.147 5.440 1.00 0.00 H new ATOM 855 N GLN A 63 -1.367 5.627 2.965 1.00 0.00 N ATOM 856 CA GLN A 63 -0.961 6.529 1.885 1.00 0.00 C ATOM 857 C GLN A 63 0.473 6.237 1.596 1.00 0.00 C ATOM 858 O GLN A 63 1.257 5.954 2.476 1.00 0.00 O ATOM 859 CB GLN A 63 -1.055 7.974 2.258 1.00 0.00 C ATOM 860 CG GLN A 63 -2.440 8.523 1.918 1.00 0.00 C ATOM 861 CD GLN A 63 -2.911 9.462 3.030 1.00 0.00 C ATOM 862 OE1 GLN A 63 -2.389 10.548 3.187 1.00 0.00 O ATOM 863 NE2 GLN A 63 -3.886 9.090 3.814 1.00 0.00 N ATOM 0 H GLN A 63 -0.643 5.420 3.653 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.625 6.364 1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.861 8.094 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.291 8.543 1.728 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.407 9.057 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.147 7.702 1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.326 8.179 3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.208 9.710 4.557 1.00 0.00 H new ATOM 872 N VAL A 64 0.814 6.342 0.382 1.00 0.00 N ATOM 873 CA VAL A 64 2.222 6.092 -0.019 1.00 0.00 C ATOM 874 C VAL A 64 2.426 6.588 -1.445 1.00 0.00 C ATOM 875 O VAL A 64 1.558 6.449 -2.279 1.00 0.00 O ATOM 876 CB VAL A 64 2.570 4.568 0.023 1.00 0.00 C ATOM 877 CG1 VAL A 64 2.001 3.887 1.269 1.00 0.00 C ATOM 878 CG2 VAL A 64 2.004 3.872 -1.205 1.00 0.00 C ATOM 0 H VAL A 64 0.184 6.593 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 64 2.870 6.619 0.681 1.00 0.00 H new ATOM 0 HB VAL A 64 3.657 4.487 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.266 2.830 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.415 4.356 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.916 3.989 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.251 2.811 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.921 3.992 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.434 4.313 -2.104 1.00 0.00 H new ATOM 888 N GLU A 65 3.577 7.119 -1.743 1.00 0.00 N ATOM 889 CA GLU A 65 3.848 7.550 -3.139 1.00 0.00 C ATOM 890 C GLU A 65 4.311 6.292 -3.872 1.00 0.00 C ATOM 891 O GLU A 65 5.452 6.156 -4.204 1.00 0.00 O ATOM 892 CB GLU A 65 4.952 8.617 -3.167 1.00 0.00 C ATOM 893 CG GLU A 65 6.027 8.268 -2.134 1.00 0.00 C ATOM 894 CD GLU A 65 7.370 8.847 -2.581 1.00 0.00 C ATOM 895 OE1 GLU A 65 7.493 9.175 -3.751 1.00 0.00 O ATOM 896 OE2 GLU A 65 8.254 8.955 -1.746 1.00 0.00 O ATOM 0 H GLU A 65 4.339 7.273 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 65 2.965 7.990 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.393 8.673 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.530 9.598 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.753 8.669 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.104 7.186 -2.024 1.00 0.00 H new ATOM 903 N ILE A 66 3.403 5.369 -4.050 1.00 0.00 N ATOM 904 CA ILE A 66 3.680 4.032 -4.675 1.00 0.00 C ATOM 905 C ILE A 66 4.955 3.974 -5.474 1.00 0.00 C ATOM 906 O ILE A 66 5.410 4.913 -6.102 1.00 0.00 O ATOM 907 CB ILE A 66 2.481 3.575 -5.523 1.00 0.00 C ATOM 908 CG1 ILE A 66 1.170 4.181 -5.012 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.335 2.054 -5.467 1.00 0.00 C ATOM 910 CD1 ILE A 66 0.786 3.528 -3.685 1.00 0.00 C ATOM 0 H ILE A 66 2.429 5.492 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 66 3.826 3.341 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 66 2.671 3.909 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.282 5.257 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.378 4.031 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.482 1.748 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.241 1.587 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.178 1.741 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.147 3.960 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.656 2.456 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.574 3.701 -2.953 1.00 0.00 H new ATOM 922 N GLY A 67 5.524 2.802 -5.388 1.00 0.00 N ATOM 923 CA GLY A 67 6.788 2.469 -6.025 1.00 0.00 C ATOM 924 C GLY A 67 6.480 1.671 -7.299 1.00 0.00 C ATOM 925 O GLY A 67 5.357 1.255 -7.506 1.00 0.00 O ATOM 0 H GLY A 67 5.119 2.027 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.343 3.375 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.413 1.884 -5.350 1.00 0.00 H new ATOM 929 N ARG A 68 7.447 1.389 -8.132 1.00 0.00 N ATOM 930 CA ARG A 68 7.136 0.603 -9.346 1.00 0.00 C ATOM 931 C ARG A 68 8.426 0.050 -9.849 1.00 0.00 C ATOM 932 O ARG A 68 9.489 0.536 -9.523 1.00 0.00 O ATOM 933 CB ARG A 68 6.502 1.470 -10.432 1.00 0.00 C ATOM 934 CG ARG A 68 5.502 0.630 -11.231 1.00 0.00 C ATOM 935 CD ARG A 68 4.184 1.396 -11.365 1.00 0.00 C ATOM 936 NE ARG A 68 4.018 1.856 -12.773 1.00 0.00 N ATOM 937 CZ ARG A 68 3.968 3.132 -13.042 1.00 0.00 C ATOM 938 NH1 ARG A 68 2.838 3.776 -12.945 1.00 0.00 N ATOM 939 NH2 ARG A 68 5.050 3.764 -13.408 1.00 0.00 N ATOM 0 H ARG A 68 8.422 1.667 -8.022 1.00 0.00 H new ATOM 0 HA ARG A 68 6.423 -0.184 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.998 2.326 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.273 1.866 -11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.906 0.405 -12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.331 -0.324 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.349 0.757 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.177 2.251 -10.689 1.00 0.00 H new ATOM 0 HE ARG A 68 3.943 1.173 -13.527 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.993 3.282 -12.659 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.800 4.773 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.934 3.260 -13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.012 4.761 -13.618 1.00 0.00 H new ATOM 953 N THR A 69 8.371 -0.992 -10.593 1.00 0.00 N ATOM 954 CA THR A 69 9.606 -1.575 -11.035 1.00 0.00 C ATOM 955 C THR A 69 9.376 -2.237 -12.388 1.00 0.00 C ATOM 956 O THR A 69 9.110 -3.417 -12.472 1.00 0.00 O ATOM 957 CB THR A 69 10.039 -2.564 -9.965 1.00 0.00 C ATOM 958 OG1 THR A 69 9.498 -3.849 -10.235 1.00 0.00 O ATOM 959 CG2 THR A 69 9.556 -2.067 -8.583 1.00 0.00 C ATOM 0 H THR A 69 7.519 -1.456 -10.907 1.00 0.00 H new ATOM 0 HA THR A 69 10.396 -0.836 -11.170 1.00 0.00 H new ATOM 0 HB THR A 69 11.126 -2.639 -9.965 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.779 -4.141 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.865 -2.774 -7.814 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.993 -1.090 -8.375 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.469 -1.985 -8.585 1.00 0.00 H new ATOM 967 N THR A 70 9.429 -1.445 -13.434 1.00 0.00 N ATOM 968 CA THR A 70 9.175 -1.963 -14.823 1.00 0.00 C ATOM 969 C THR A 70 9.614 -3.428 -14.954 1.00 0.00 C ATOM 970 O THR A 70 8.922 -4.317 -14.501 1.00 0.00 O ATOM 971 CB THR A 70 9.907 -1.093 -15.864 1.00 0.00 C ATOM 972 OG1 THR A 70 9.969 -1.795 -17.097 1.00 0.00 O ATOM 973 CG2 THR A 70 11.329 -0.758 -15.400 1.00 0.00 C ATOM 0 H THR A 70 9.640 -0.448 -13.386 1.00 0.00 H new ATOM 0 HA THR A 70 8.103 -1.910 -15.011 1.00 0.00 H new ATOM 0 HB THR A 70 9.356 -0.161 -15.986 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.432 -1.246 -17.763 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.822 -0.144 -16.153 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.285 -0.212 -14.458 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.892 -1.680 -15.258 1.00 0.00 H new ATOM 981 N CYS A 71 10.742 -3.693 -15.582 1.00 0.00 N ATOM 982 CA CYS A 71 11.211 -5.106 -15.746 1.00 0.00 C ATOM 983 C CYS A 71 10.009 -6.051 -15.834 1.00 0.00 C ATOM 984 O CYS A 71 9.624 -6.653 -14.852 1.00 0.00 O ATOM 985 CB CYS A 71 12.075 -5.496 -14.544 1.00 0.00 C ATOM 986 SG CYS A 71 13.767 -5.819 -15.102 1.00 0.00 S ATOM 0 H CYS A 71 11.356 -2.987 -15.987 1.00 0.00 H new ATOM 0 HA CYS A 71 11.795 -5.184 -16.663 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.071 -4.696 -13.804 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.665 -6.382 -14.059 1.00 0.00 H new ATOM 991 N PRO A 72 9.440 -6.137 -17.005 1.00 0.00 N ATOM 992 CA PRO A 72 8.245 -6.994 -17.269 1.00 0.00 C ATOM 993 C PRO A 72 8.639 -8.467 -17.301 1.00 0.00 C ATOM 994 O PRO A 72 8.388 -9.216 -16.377 1.00 0.00 O ATOM 995 CB PRO A 72 7.771 -6.519 -18.638 1.00 0.00 C ATOM 996 CG PRO A 72 8.973 -5.886 -19.327 1.00 0.00 C ATOM 997 CD PRO A 72 9.921 -5.407 -18.225 1.00 0.00 C ATOM 0 HA PRO A 72 7.474 -6.911 -16.503 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.385 -7.353 -19.224 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.960 -5.798 -18.537 1.00 0.00 H new ATOM 0 HG2 PRO A 72 9.470 -6.608 -19.976 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.662 -5.053 -19.957 1.00 0.00 H new ATOM 0 HD2 PRO A 72 10.958 -5.650 -18.455 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.869 -4.326 -18.093 1.00 0.00 H new ATOM 1005 N LYS A 73 9.258 -8.878 -18.361 1.00 0.00 N ATOM 1006 CA LYS A 73 9.686 -10.302 -18.480 1.00 0.00 C ATOM 1007 C LYS A 73 11.030 -10.489 -17.770 1.00 0.00 C ATOM 1008 O LYS A 73 11.166 -11.320 -16.894 1.00 0.00 O ATOM 1009 CB LYS A 73 9.835 -10.666 -19.959 1.00 0.00 C ATOM 1010 CG LYS A 73 8.505 -10.440 -20.679 1.00 0.00 C ATOM 1011 CD LYS A 73 8.557 -9.118 -21.447 1.00 0.00 C ATOM 1012 CE LYS A 73 8.039 -9.332 -22.872 1.00 0.00 C ATOM 1013 NZ LYS A 73 9.178 -9.249 -23.831 1.00 0.00 N ATOM 0 H LYS A 73 9.491 -8.289 -19.161 1.00 0.00 H new ATOM 0 HA LYS A 73 8.938 -10.948 -18.020 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.616 -10.058 -20.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.142 -11.707 -20.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.306 -11.263 -21.365 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.688 -10.422 -19.958 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.953 -8.366 -20.939 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.579 -8.741 -21.474 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.552 -10.304 -22.952 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.289 -8.579 -23.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.828 -9.394 -24.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.623 -8.312 -23.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.878 -9.983 -23.603 1.00 0.00 H new ATOM 1027 N SER A 74 12.026 -9.719 -18.139 1.00 0.00 N ATOM 1028 CA SER A 74 13.360 -9.851 -17.485 1.00 0.00 C ATOM 1029 C SER A 74 14.102 -11.062 -18.066 1.00 0.00 C ATOM 1030 O SER A 74 15.021 -10.914 -18.847 1.00 0.00 O ATOM 1031 CB SER A 74 13.179 -10.035 -15.975 1.00 0.00 C ATOM 1032 OG SER A 74 11.932 -9.484 -15.579 1.00 0.00 O ATOM 0 H SER A 74 11.969 -9.005 -18.866 1.00 0.00 H new ATOM 0 HA SER A 74 13.942 -8.948 -17.670 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.219 -11.094 -15.719 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.992 -9.546 -15.438 1.00 0.00 H new ATOM 0 HG SER A 74 11.266 -10.199 -15.508 1.00 0.00 H new ATOM 1038 N SER A 75 13.716 -12.259 -17.696 1.00 0.00 N ATOM 1039 CA SER A 75 14.410 -13.462 -18.236 1.00 0.00 C ATOM 1040 C SER A 75 15.924 -13.231 -18.218 1.00 0.00 C ATOM 1041 O SER A 75 16.637 -13.656 -19.104 1.00 0.00 O ATOM 1042 CB SER A 75 13.951 -13.713 -19.674 1.00 0.00 C ATOM 1043 OG SER A 75 12.539 -13.580 -19.749 1.00 0.00 O ATOM 0 H SER A 75 12.954 -12.451 -17.046 1.00 0.00 H new ATOM 0 HA SER A 75 14.167 -14.328 -17.620 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.430 -13.004 -20.349 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.251 -14.711 -19.994 1.00 0.00 H new ATOM 0 HG SER A 75 12.244 -13.739 -20.670 1.00 0.00 H new ATOM 1049 N GLY A 76 16.419 -12.559 -17.215 1.00 0.00 N ATOM 1050 CA GLY A 76 17.884 -12.299 -17.143 1.00 0.00 C ATOM 1051 C GLY A 76 18.180 -11.372 -15.958 1.00 0.00 C ATOM 1052 O GLY A 76 18.064 -10.167 -16.063 1.00 0.00 O ATOM 0 H GLY A 76 15.872 -12.179 -16.442 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.426 -13.238 -17.028 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.229 -11.843 -18.071 1.00 0.00 H new ATOM 1056 N ASP A 77 18.556 -11.919 -14.830 1.00 0.00 N ATOM 1057 CA ASP A 77 18.853 -11.059 -13.650 1.00 0.00 C ATOM 1058 C ASP A 77 19.954 -10.058 -14.012 1.00 0.00 C ATOM 1059 O ASP A 77 20.171 -9.760 -15.168 1.00 0.00 O ATOM 1060 CB ASP A 77 19.320 -11.935 -12.486 1.00 0.00 C ATOM 1061 CG ASP A 77 18.405 -13.154 -12.367 1.00 0.00 C ATOM 1062 OD1 ASP A 77 17.228 -12.965 -12.104 1.00 0.00 O ATOM 1063 OD2 ASP A 77 18.894 -14.258 -12.542 1.00 0.00 O ATOM 0 H ASP A 77 18.669 -12.921 -14.677 1.00 0.00 H new ATOM 0 HA ASP A 77 17.953 -10.518 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.350 -12.254 -12.647 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.305 -11.364 -11.558 1.00 0.00 H new ATOM 1068 N LEU A 78 20.648 -9.542 -13.028 1.00 0.00 N ATOM 1069 CA LEU A 78 21.740 -8.556 -13.299 1.00 0.00 C ATOM 1070 C LEU A 78 21.139 -7.156 -13.478 1.00 0.00 C ATOM 1071 O LEU A 78 21.386 -6.264 -12.693 1.00 0.00 O ATOM 1072 CB LEU A 78 22.498 -8.952 -14.568 1.00 0.00 C ATOM 1073 CG LEU A 78 23.859 -8.255 -14.584 1.00 0.00 C ATOM 1074 CD1 LEU A 78 24.872 -9.137 -15.313 1.00 0.00 C ATOM 1075 CD2 LEU A 78 23.736 -6.913 -15.308 1.00 0.00 C ATOM 0 H LEU A 78 20.504 -9.763 -12.043 1.00 0.00 H new ATOM 0 HA LEU A 78 22.431 -8.550 -12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 78 22.630 -10.033 -14.603 1.00 0.00 H new ATOM 0 HB3 LEU A 78 21.923 -8.672 -15.451 1.00 0.00 H new ATOM 0 HG LEU A 78 24.194 -8.085 -13.561 1.00 0.00 H new ATOM 0 HD11 LEU A 78 25.843 -8.642 -15.326 1.00 0.00 H new ATOM 0 HD12 LEU A 78 24.959 -10.093 -14.798 1.00 0.00 H new ATOM 0 HD13 LEU A 78 24.537 -9.306 -16.337 1.00 0.00 H new ATOM 0 HD21 LEU A 78 24.706 -6.416 -15.320 1.00 0.00 H new ATOM 0 HD22 LEU A 78 23.402 -7.081 -16.332 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.012 -6.285 -14.789 1.00 0.00 H new ATOM 1087 N GLN A 79 20.357 -6.954 -14.511 1.00 0.00 N ATOM 1088 CA GLN A 79 19.748 -5.613 -14.741 1.00 0.00 C ATOM 1089 C GLN A 79 19.268 -5.021 -13.413 1.00 0.00 C ATOM 1090 O GLN A 79 19.060 -5.723 -12.444 1.00 0.00 O ATOM 1091 CB GLN A 79 18.559 -5.750 -15.694 1.00 0.00 C ATOM 1092 CG GLN A 79 19.055 -5.669 -17.141 1.00 0.00 C ATOM 1093 CD GLN A 79 18.501 -4.406 -17.801 1.00 0.00 C ATOM 1094 OE1 GLN A 79 17.547 -4.468 -18.553 1.00 0.00 O ATOM 1095 NE2 GLN A 79 19.059 -3.253 -17.551 1.00 0.00 N ATOM 0 H GLN A 79 20.116 -7.663 -15.204 1.00 0.00 H new ATOM 0 HA GLN A 79 20.496 -4.952 -15.178 1.00 0.00 H new ATOM 0 HB2 GLN A 79 18.051 -6.699 -15.525 1.00 0.00 H new ATOM 0 HB3 GLN A 79 17.832 -4.961 -15.502 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.145 -5.655 -17.163 1.00 0.00 H new ATOM 0 HG3 GLN A 79 18.736 -6.552 -17.696 1.00 0.00 H new ATOM 0 HE21 GLN A 79 19.859 -3.200 -16.921 1.00 0.00 H new ATOM 0 HE22 GLN A 79 18.695 -2.405 -17.986 1.00 0.00 H new ATOM 1104 N SER A 80 19.091 -3.730 -13.369 1.00 0.00 N ATOM 1105 CA SER A 80 18.627 -3.073 -12.114 1.00 0.00 C ATOM 1106 C SER A 80 17.103 -2.885 -12.166 1.00 0.00 C ATOM 1107 O SER A 80 16.611 -1.790 -11.977 1.00 0.00 O ATOM 1108 CB SER A 80 19.296 -1.703 -11.989 1.00 0.00 C ATOM 1109 OG SER A 80 20.255 -1.739 -10.942 1.00 0.00 O ATOM 0 H SER A 80 19.249 -3.097 -14.153 1.00 0.00 H new ATOM 0 HA SER A 80 18.889 -3.695 -11.258 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.778 -1.434 -12.929 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.547 -0.938 -11.785 1.00 0.00 H new ATOM 0 HG SER A 80 20.685 -0.862 -10.862 1.00 0.00 H new ATOM 1115 N CYS A 81 16.358 -3.937 -12.435 1.00 0.00 N ATOM 1116 CA CYS A 81 14.867 -3.821 -12.511 1.00 0.00 C ATOM 1117 C CYS A 81 14.361 -2.778 -11.508 1.00 0.00 C ATOM 1118 O CYS A 81 14.708 -2.803 -10.344 1.00 0.00 O ATOM 1119 CB CYS A 81 14.239 -5.177 -12.185 1.00 0.00 C ATOM 1120 SG CYS A 81 14.743 -6.391 -13.430 1.00 0.00 S ATOM 0 H CYS A 81 16.724 -4.874 -12.605 1.00 0.00 H new ATOM 0 HA CYS A 81 14.587 -3.510 -13.518 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.552 -5.506 -11.194 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.153 -5.091 -12.164 1.00 0.00 H new ATOM 1125 N GLU A 82 13.544 -1.857 -11.952 1.00 0.00 N ATOM 1126 CA GLU A 82 13.026 -0.813 -11.020 1.00 0.00 C ATOM 1127 C GLU A 82 12.082 0.133 -11.761 1.00 0.00 C ATOM 1128 O GLU A 82 11.842 -0.007 -12.949 1.00 0.00 O ATOM 1129 CB GLU A 82 14.199 -0.015 -10.450 1.00 0.00 C ATOM 1130 CG GLU A 82 13.993 0.199 -8.951 1.00 0.00 C ATOM 1131 CD GLU A 82 14.538 1.570 -8.548 1.00 0.00 C ATOM 1132 OE1 GLU A 82 15.750 1.710 -8.492 1.00 0.00 O ATOM 1133 OE2 GLU A 82 13.737 2.457 -8.304 1.00 0.00 O ATOM 0 H GLU A 82 13.215 -1.784 -12.915 1.00 0.00 H new ATOM 0 HA GLU A 82 12.480 -1.298 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.134 -0.547 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.279 0.946 -10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.933 0.132 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 82 14.500 -0.585 -8.389 1.00 0.00 H new ATOM 1140 N PHE A 83 11.518 1.079 -11.044 1.00 0.00 N ATOM 1141 CA PHE A 83 10.563 2.064 -11.659 1.00 0.00 C ATOM 1142 C PHE A 83 10.996 2.317 -13.112 1.00 0.00 C ATOM 1143 O PHE A 83 10.222 2.195 -14.039 1.00 0.00 O ATOM 1144 CB PHE A 83 10.653 3.380 -10.902 1.00 0.00 C ATOM 1145 CG PHE A 83 9.388 3.719 -10.122 1.00 0.00 C ATOM 1146 CD1 PHE A 83 8.155 3.958 -10.765 1.00 0.00 C ATOM 1147 CD2 PHE A 83 9.467 3.853 -8.733 1.00 0.00 C ATOM 1148 CE1 PHE A 83 7.020 4.314 -10.017 1.00 0.00 C ATOM 1149 CE2 PHE A 83 8.349 4.204 -8.004 1.00 0.00 C ATOM 1150 CZ PHE A 83 7.128 4.434 -8.615 1.00 0.00 C ATOM 0 H PHE A 83 11.680 1.213 -10.046 1.00 0.00 H new ATOM 0 HA PHE A 83 9.546 1.674 -11.619 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.495 3.336 -10.212 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.861 4.183 -11.609 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.083 3.867 -11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.406 3.681 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.076 4.494 -10.509 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.428 4.302 -6.931 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.265 4.703 -8.024 1.00 0.00 H new ATOM 1160 N HIS A 84 12.258 2.643 -13.300 1.00 0.00 N ATOM 1161 CA HIS A 84 12.791 2.879 -14.671 1.00 0.00 C ATOM 1162 C HIS A 84 14.311 2.999 -14.606 1.00 0.00 C ATOM 1163 O HIS A 84 14.923 3.843 -15.230 1.00 0.00 O ATOM 1164 CB HIS A 84 12.184 4.131 -15.277 1.00 0.00 C ATOM 1165 CG HIS A 84 11.287 3.750 -16.422 1.00 0.00 C ATOM 1166 ND1 HIS A 84 11.769 3.130 -17.564 1.00 0.00 N ATOM 1167 CD2 HIS A 84 9.935 3.893 -16.618 1.00 0.00 C ATOM 1168 CE1 HIS A 84 10.725 2.926 -18.388 1.00 0.00 C ATOM 1169 NE2 HIS A 84 9.583 3.373 -17.859 1.00 0.00 N ATOM 0 H HIS A 84 12.941 2.755 -12.551 1.00 0.00 H new ATOM 0 HA HIS A 84 12.522 2.037 -15.308 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.616 4.675 -14.522 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.972 4.798 -15.625 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.249 4.341 -15.915 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.801 2.458 -19.358 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.653 3.340 -18.276 1.00 0.00 H new ATOM 1177 N ASP A 85 14.910 2.111 -13.872 1.00 0.00 N ATOM 1178 CA ASP A 85 16.400 2.069 -13.744 1.00 0.00 C ATOM 1179 C ASP A 85 16.991 3.402 -13.256 1.00 0.00 C ATOM 1180 O ASP A 85 18.025 3.817 -13.734 1.00 0.00 O ATOM 1181 CB ASP A 85 17.004 1.730 -15.108 1.00 0.00 C ATOM 1182 CG ASP A 85 16.121 0.701 -15.817 1.00 0.00 C ATOM 1183 OD1 ASP A 85 15.733 -0.261 -15.174 1.00 0.00 O ATOM 1184 OD2 ASP A 85 15.848 0.892 -16.990 1.00 0.00 O ATOM 0 H ASP A 85 14.422 1.391 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 85 16.644 1.310 -13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.088 2.632 -15.714 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.012 1.335 -14.983 1.00 0.00 H new ATOM 1189 N GLU A 86 16.383 4.062 -12.299 1.00 0.00 N ATOM 1190 CA GLU A 86 16.977 5.349 -11.796 1.00 0.00 C ATOM 1191 C GLU A 86 15.937 6.174 -11.030 1.00 0.00 C ATOM 1192 O GLU A 86 14.755 5.988 -11.202 1.00 0.00 O ATOM 1193 CB GLU A 86 17.495 6.186 -12.971 1.00 0.00 C ATOM 1194 CG GLU A 86 16.487 6.147 -14.125 1.00 0.00 C ATOM 1195 CD GLU A 86 17.238 6.046 -15.454 1.00 0.00 C ATOM 1196 OE1 GLU A 86 18.221 5.325 -15.504 1.00 0.00 O ATOM 1197 OE2 GLU A 86 16.816 6.692 -16.399 1.00 0.00 O ATOM 0 H GLU A 86 15.515 3.774 -11.848 1.00 0.00 H new ATOM 0 HA GLU A 86 17.798 5.094 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.656 7.216 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.459 5.802 -13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.817 5.295 -14.008 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.868 7.044 -14.112 1.00 0.00 H new ATOM 1204 N PRO A 87 16.433 7.090 -10.223 1.00 0.00 N ATOM 1205 CA PRO A 87 15.600 8.028 -9.396 1.00 0.00 C ATOM 1206 C PRO A 87 15.097 9.166 -10.272 1.00 0.00 C ATOM 1207 O PRO A 87 13.938 9.534 -10.246 1.00 0.00 O ATOM 1208 CB PRO A 87 16.586 8.539 -8.353 1.00 0.00 C ATOM 1209 CG PRO A 87 17.981 8.381 -8.942 1.00 0.00 C ATOM 1210 CD PRO A 87 17.904 7.315 -10.038 1.00 0.00 C ATOM 0 HA PRO A 87 14.720 7.564 -8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.385 9.583 -8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.493 7.974 -7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.332 9.328 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.691 8.085 -8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.375 7.656 -10.960 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.414 6.399 -9.740 1.00 0.00 H new ATOM 1218 N GLU A 88 15.971 9.711 -11.059 1.00 0.00 N ATOM 1219 CA GLU A 88 15.583 10.825 -11.963 1.00 0.00 C ATOM 1220 C GLU A 88 14.533 10.337 -12.962 1.00 0.00 C ATOM 1221 O GLU A 88 13.934 11.121 -13.671 1.00 0.00 O ATOM 1222 CB GLU A 88 16.817 11.315 -12.723 1.00 0.00 C ATOM 1223 CG GLU A 88 16.874 12.843 -12.672 1.00 0.00 C ATOM 1224 CD GLU A 88 15.732 13.424 -13.507 1.00 0.00 C ATOM 1225 OE1 GLU A 88 15.387 12.819 -14.509 1.00 0.00 O ATOM 1226 OE2 GLU A 88 15.220 14.466 -13.128 1.00 0.00 O ATOM 0 H GLU A 88 16.950 9.431 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 88 15.167 11.641 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.720 10.892 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.778 10.976 -13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.796 13.186 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.833 13.195 -13.053 1.00 0.00 H new ATOM 1233 N LEU A 89 14.293 9.052 -13.027 1.00 0.00 N ATOM 1234 CA LEU A 89 13.280 8.547 -13.978 1.00 0.00 C ATOM 1235 C LEU A 89 12.458 7.468 -13.287 1.00 0.00 C ATOM 1236 O LEU A 89 11.932 6.581 -13.925 1.00 0.00 O ATOM 1237 CB LEU A 89 13.977 7.958 -15.206 1.00 0.00 C ATOM 1238 CG LEU A 89 13.286 8.459 -16.475 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.714 9.902 -16.753 1.00 0.00 C ATOM 1240 CD2 LEU A 89 13.683 7.572 -17.656 1.00 0.00 C ATOM 0 H LEU A 89 14.757 8.340 -12.462 1.00 0.00 H new ATOM 0 HA LEU A 89 12.629 9.361 -14.297 1.00 0.00 H new ATOM 0 HB2 LEU A 89 15.028 8.246 -15.214 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.945 6.869 -15.168 1.00 0.00 H new ATOM 0 HG LEU A 89 12.205 8.421 -16.340 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.222 10.260 -17.657 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.431 10.534 -15.911 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.795 9.941 -16.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.191 7.929 -18.561 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.764 7.610 -17.792 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.378 6.544 -17.458 1.00 0.00 H new ATOM 1252 N ALA A 90 12.311 7.544 -11.990 1.00 0.00 N ATOM 1253 CA ALA A 90 11.496 6.531 -11.294 1.00 0.00 C ATOM 1254 C ALA A 90 10.534 7.248 -10.386 1.00 0.00 C ATOM 1255 O ALA A 90 10.567 7.098 -9.182 1.00 0.00 O ATOM 1256 CB ALA A 90 12.355 5.569 -10.475 1.00 0.00 C ATOM 0 H ALA A 90 12.721 8.263 -11.394 1.00 0.00 H new ATOM 0 HA ALA A 90 10.966 5.936 -12.038 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.714 4.840 -9.980 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.051 5.051 -11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.914 6.129 -9.725 1.00 0.00 H new ATOM 1262 N LYS A 91 9.681 8.041 -10.954 1.00 0.00 N ATOM 1263 CA LYS A 91 8.724 8.774 -10.140 1.00 0.00 C ATOM 1264 C LYS A 91 7.985 7.788 -9.267 1.00 0.00 C ATOM 1265 O LYS A 91 8.328 6.630 -9.145 1.00 0.00 O ATOM 1266 CB LYS A 91 7.719 9.521 -11.023 1.00 0.00 C ATOM 1267 CG LYS A 91 8.411 10.032 -12.288 1.00 0.00 C ATOM 1268 CD LYS A 91 7.560 11.129 -12.929 1.00 0.00 C ATOM 1269 CE LYS A 91 7.949 11.286 -14.401 1.00 0.00 C ATOM 1270 NZ LYS A 91 7.967 12.733 -14.758 1.00 0.00 N ATOM 0 H LYS A 91 9.616 8.206 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 91 9.256 9.505 -9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.896 8.859 -11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.289 10.357 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.399 10.421 -12.043 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.557 9.212 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.503 10.878 -12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.706 12.072 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.930 10.844 -14.578 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.240 10.753 -15.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.231 12.841 -15.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.023 13.140 -14.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.660 13.229 -14.162 1.00 0.00 H new ATOM 1284 N TYR A 92 7.001 8.279 -8.643 1.00 0.00 N ATOM 1285 CA TYR A 92 6.195 7.499 -7.718 1.00 0.00 C ATOM 1286 C TYR A 92 4.757 7.949 -7.905 1.00 0.00 C ATOM 1287 O TYR A 92 4.476 8.846 -8.675 1.00 0.00 O ATOM 1288 CB TYR A 92 6.733 7.853 -6.355 1.00 0.00 C ATOM 1289 CG TYR A 92 8.232 7.599 -6.391 1.00 0.00 C ATOM 1290 CD1 TYR A 92 9.117 8.587 -6.861 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.734 6.348 -6.015 1.00 0.00 C ATOM 1292 CE1 TYR A 92 10.488 8.315 -6.942 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.104 6.078 -6.105 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.981 7.061 -6.568 1.00 0.00 C ATOM 1295 OH TYR A 92 12.331 6.795 -6.658 1.00 0.00 O ATOM 0 H TYR A 92 6.700 9.249 -8.739 1.00 0.00 H new ATOM 0 HA TYR A 92 6.231 6.419 -7.864 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.524 8.896 -6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.257 7.248 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.739 9.554 -7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.060 5.586 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.168 9.077 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.483 5.109 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 92 12.504 5.878 -6.358 1.00 0.00 H new ATOM 1305 N THR A 93 3.848 7.343 -7.238 1.00 0.00 N ATOM 1306 CA THR A 93 2.423 7.757 -7.417 1.00 0.00 C ATOM 1307 C THR A 93 1.728 7.824 -6.060 1.00 0.00 C ATOM 1308 O THR A 93 2.077 7.124 -5.143 1.00 0.00 O ATOM 1309 CB THR A 93 1.709 6.766 -8.345 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.549 7.379 -8.890 1.00 0.00 O ATOM 1311 CG2 THR A 93 1.313 5.527 -7.558 1.00 0.00 C ATOM 0 H THR A 93 4.008 6.583 -6.577 1.00 0.00 H new ATOM 0 HA THR A 93 2.386 8.747 -7.872 1.00 0.00 H new ATOM 0 HB THR A 93 2.379 6.478 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.093 6.747 -9.484 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.806 4.823 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.206 5.058 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.643 5.810 -6.746 1.00 0.00 H new ATOM 1319 N THR A 94 0.755 8.674 -5.927 1.00 0.00 N ATOM 1320 CA THR A 94 0.053 8.814 -4.618 1.00 0.00 C ATOM 1321 C THR A 94 -1.172 7.910 -4.558 1.00 0.00 C ATOM 1322 O THR A 94 -2.162 8.137 -5.225 1.00 0.00 O ATOM 1323 CB THR A 94 -0.381 10.269 -4.425 1.00 0.00 C ATOM 1324 OG1 THR A 94 0.672 11.131 -4.834 1.00 0.00 O ATOM 1325 CG2 THR A 94 -0.703 10.516 -2.950 1.00 0.00 C ATOM 0 H THR A 94 0.411 9.283 -6.669 1.00 0.00 H new ATOM 0 HA THR A 94 0.741 8.520 -3.825 1.00 0.00 H new ATOM 0 HB THR A 94 -1.269 10.468 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.397 12.064 -4.713 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.012 11.552 -2.814 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.510 9.853 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.183 10.319 -2.346 1.00 0.00 H new ATOM 1333 N CYS A 95 -1.112 6.887 -3.753 1.00 0.00 N ATOM 1334 CA CYS A 95 -2.263 5.970 -3.636 1.00 0.00 C ATOM 1335 C CYS A 95 -2.672 5.855 -2.168 1.00 0.00 C ATOM 1336 O CYS A 95 -1.879 6.103 -1.264 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.838 4.619 -4.153 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.265 3.754 -4.850 1.00 0.00 S ATOM 0 H CYS A 95 -0.308 6.651 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.110 6.344 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.066 4.737 -4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.403 4.030 -3.345 1.00 0.00 H new ATOM 1343 N THR A 96 -3.904 5.485 -1.926 1.00 0.00 N ATOM 1344 CA THR A 96 -4.385 5.354 -0.525 1.00 0.00 C ATOM 1345 C THR A 96 -5.101 4.012 -0.335 1.00 0.00 C ATOM 1346 O THR A 96 -5.859 3.571 -1.183 1.00 0.00 O ATOM 1347 CB THR A 96 -5.360 6.490 -0.211 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.801 7.723 -0.643 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.621 6.543 1.294 1.00 0.00 C ATOM 0 H THR A 96 -4.596 5.268 -2.643 1.00 0.00 H new ATOM 0 HA THR A 96 -3.528 5.403 0.147 1.00 0.00 H new ATOM 0 HB THR A 96 -6.302 6.315 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.425 8.452 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.316 7.353 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.051 5.597 1.622 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.682 6.717 1.820 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.871 3.365 0.778 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.525 2.063 1.057 1.00 0.00 C ATOM 1359 C PHE A 97 -6.452 2.218 2.260 1.00 0.00 C ATOM 1360 O PHE A 97 -6.071 2.766 3.274 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.475 1.013 1.408 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.305 1.039 0.427 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.435 1.594 -0.862 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -2.077 0.484 0.809 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.347 1.589 -1.734 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.999 0.478 -0.065 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.126 1.030 -1.336 1.00 0.00 C ATOM 0 H PHE A 97 -4.246 3.694 1.514 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.081 1.753 0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.107 1.189 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.933 0.024 1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.376 2.023 -1.174 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.968 0.056 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.446 2.018 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.059 0.044 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.285 1.027 -2.014 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.655 1.727 2.182 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.562 1.849 3.358 1.00 0.00 C ATOM 1379 C VAL A 98 -9.036 0.444 3.746 1.00 0.00 C ATOM 1380 O VAL A 98 -9.762 -0.196 3.011 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.745 2.749 2.992 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.930 2.469 3.919 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.327 4.214 3.135 1.00 0.00 C ATOM 0 H VAL A 98 -8.047 1.253 1.368 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.044 2.298 4.206 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.043 2.545 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.765 3.116 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.232 1.426 3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.639 2.665 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.166 4.859 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.026 4.408 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.491 4.421 2.467 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.604 -0.063 4.874 1.00 0.00 N ATOM 1394 CA VAL A 99 -9.016 -1.445 5.257 1.00 0.00 C ATOM 1395 C VAL A 99 -9.712 -1.476 6.615 1.00 0.00 C ATOM 1396 O VAL A 99 -9.162 -1.102 7.625 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.783 -2.360 5.292 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -8.058 -3.572 6.189 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.499 -2.816 3.877 1.00 0.00 C ATOM 0 H VAL A 99 -7.993 0.414 5.537 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.726 -1.799 4.509 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.924 -1.823 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.179 -4.217 6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.282 -3.233 7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.908 -4.130 5.796 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.626 -3.469 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.361 -3.360 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.306 -1.948 3.247 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.899 -1.992 6.662 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.585 -2.087 7.971 1.00 0.00 C ATOM 1411 C TYR A 100 -10.985 -3.275 8.732 1.00 0.00 C ATOM 1412 O TYR A 100 -10.877 -4.364 8.204 1.00 0.00 O ATOM 1413 CB TYR A 100 -13.082 -2.286 7.768 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.822 -1.504 8.816 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.674 -0.115 8.863 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.649 -2.155 9.734 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.353 0.628 9.828 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.329 -1.414 10.702 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.182 -0.022 10.751 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.859 0.709 11.705 1.00 0.00 O ATOM 0 H TYR A 100 -11.420 -2.349 5.861 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.445 -1.168 8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.375 -1.954 6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.335 -3.344 7.838 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.033 0.383 8.151 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.762 -3.228 9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.240 1.701 9.864 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.969 -1.914 11.414 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.628 0.194 12.027 1.00 0.00 H new ATOM 1430 N SER A 101 -10.562 -3.078 9.954 1.00 0.00 N ATOM 1431 CA SER A 101 -9.944 -4.188 10.711 1.00 0.00 C ATOM 1432 C SER A 101 -10.751 -4.423 12.004 1.00 0.00 C ATOM 1433 O SER A 101 -10.625 -3.694 12.972 1.00 0.00 O ATOM 1434 CB SER A 101 -8.488 -3.781 11.014 1.00 0.00 C ATOM 1435 OG SER A 101 -8.372 -2.368 10.955 1.00 0.00 O ATOM 0 H SER A 101 -10.622 -2.191 10.455 1.00 0.00 H new ATOM 0 HA SER A 101 -9.947 -5.120 10.146 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.196 -4.140 12.001 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.812 -4.243 10.294 1.00 0.00 H new ATOM 0 HG SER A 101 -7.649 -2.125 10.340 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.598 -5.433 12.008 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.436 -5.741 13.214 1.00 0.00 C ATOM 1443 C ILE A 102 -11.626 -6.660 14.154 1.00 0.00 C ATOM 1444 O ILE A 102 -11.407 -7.810 13.836 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.702 -6.476 12.753 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.120 -5.943 11.375 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.830 -6.237 13.760 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.571 -6.333 11.079 1.00 0.00 C ATOM 0 H ILE A 102 -11.744 -6.061 11.218 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.708 -4.824 13.737 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.501 -7.545 12.687 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -14.014 -4.859 11.348 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.462 -6.347 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.728 -6.760 13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.530 -6.612 14.738 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.036 -5.169 13.829 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.858 -5.950 10.100 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.665 -7.419 11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.225 -5.908 11.840 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.188 -6.132 15.273 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.367 -6.897 16.274 1.00 0.00 C ATOM 1462 C PRO A 103 -11.165 -8.017 16.959 1.00 0.00 C ATOM 1463 O PRO A 103 -10.732 -9.151 16.994 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.941 -5.827 17.271 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.948 -4.696 17.147 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.445 -4.719 15.703 1.00 0.00 C ATOM 0 HA PRO A 103 -9.527 -7.413 15.809 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.928 -6.225 18.286 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.933 -5.474 17.054 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.774 -4.833 17.845 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.487 -3.737 17.384 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.503 -4.465 15.637 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.906 -4.005 15.081 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.305 -7.726 17.527 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.074 -8.809 18.215 1.00 0.00 C ATOM 1476 C TRP A 104 -13.373 -9.971 17.253 1.00 0.00 C ATOM 1477 O TRP A 104 -13.840 -11.012 17.669 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.394 -8.250 18.775 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.342 -7.906 17.665 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.115 -8.793 16.985 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.652 -6.594 17.113 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.861 -8.107 16.046 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.610 -6.751 16.084 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.193 -5.296 17.399 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.095 -5.660 15.363 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.681 -4.195 16.678 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.629 -4.377 15.662 1.00 0.00 C ATOM 0 H TRP A 104 -12.734 -6.801 17.546 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.463 -9.186 19.035 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.853 -8.985 19.437 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.193 -7.363 19.375 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.142 -9.860 17.151 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.518 -8.549 15.403 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.461 -5.145 18.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.825 -5.806 14.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.324 -3.202 16.908 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -16.999 -3.526 15.110 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.150 -9.801 15.974 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.464 -10.869 15.014 1.00 0.00 C ATOM 1500 C LEU A 105 -12.318 -11.031 14.015 1.00 0.00 C ATOM 1501 O LEU A 105 -12.453 -11.712 13.019 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.681 -10.381 14.286 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.847 -11.367 14.340 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.722 -12.376 13.196 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.879 -12.107 15.681 1.00 0.00 C ATOM 0 H LEU A 105 -12.759 -8.953 15.563 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.618 -11.829 15.507 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.997 -9.430 14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.422 -10.190 13.245 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.776 -10.807 14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.555 -13.078 13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.739 -11.849 12.242 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.783 -12.921 13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.718 -12.802 15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.949 -12.659 15.814 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.993 -11.387 16.491 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.194 -10.415 14.280 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.029 -10.520 13.362 1.00 0.00 C ATOM 1519 C ASN A 106 -10.505 -10.609 11.913 1.00 0.00 C ATOM 1520 O ASN A 106 -10.172 -11.523 11.187 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.238 -11.755 13.745 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.810 -11.643 13.205 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.510 -12.146 12.142 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -6.914 -11.001 13.901 1.00 0.00 N ATOM 0 H ASN A 106 -11.036 -9.837 15.106 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.397 -9.636 13.448 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.219 -11.864 14.829 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.720 -12.646 13.343 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.959 -10.921 13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.168 -10.579 14.794 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.289 -9.656 11.497 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.808 -9.661 10.104 1.00 0.00 C ATOM 1533 C GLN A 107 -11.328 -8.402 9.377 1.00 0.00 C ATOM 1534 O GLN A 107 -11.858 -7.324 9.558 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.337 -9.684 10.127 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.866 -9.954 8.717 1.00 0.00 C ATOM 1537 CD GLN A 107 -15.266 -9.354 8.571 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -15.598 -8.799 7.542 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -16.107 -9.441 9.565 1.00 0.00 N ATOM 0 H GLN A 107 -11.595 -8.868 12.068 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.440 -10.545 9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.689 -10.455 10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.720 -8.732 10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.194 -9.520 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.898 -11.027 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.829 -9.907 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.042 -9.043 9.478 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.330 -8.541 8.552 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.807 -7.369 7.798 1.00 0.00 C ATOM 1550 C ILE A 108 -10.515 -7.324 6.435 1.00 0.00 C ATOM 1551 O ILE A 108 -10.843 -8.349 5.868 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.281 -7.540 7.646 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.562 -6.433 8.428 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.854 -7.506 6.168 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.144 -6.222 7.891 1.00 0.00 C ATOM 0 H ILE A 108 -9.851 -9.422 8.366 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.998 -6.429 8.316 1.00 0.00 H new ATOM 0 HB ILE A 108 -8.004 -8.515 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.126 -5.503 8.353 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.520 -6.696 9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.773 -7.629 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.347 -8.315 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.139 -6.550 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.653 -5.433 8.460 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.576 -7.147 7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.192 -5.936 6.840 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.763 -6.158 5.906 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.457 -6.087 4.588 1.00 0.00 C ATOM 1569 C LYS A 109 -10.968 -4.871 3.797 1.00 0.00 C ATOM 1570 O LYS A 109 -10.815 -3.786 4.329 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.975 -5.988 4.815 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.351 -4.557 5.211 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.668 -4.576 5.991 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.485 -3.330 5.648 1.00 0.00 C ATOM 1575 NZ LYS A 109 -16.839 -3.438 6.262 1.00 0.00 N ATOM 0 H LYS A 109 -10.519 -5.260 6.323 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.233 -6.988 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.507 -6.275 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.281 -6.683 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.561 -4.117 5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.451 -3.936 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.235 -5.474 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.468 -4.608 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.978 -2.438 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.572 -3.226 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.395 -2.590 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.322 -4.281 5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.746 -3.518 7.295 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.725 -5.051 2.525 1.00 0.00 N ATOM 1590 CA LEU A 110 -10.250 -3.922 1.676 1.00 0.00 C ATOM 1591 C LEU A 110 -11.413 -2.985 1.373 1.00 0.00 C ATOM 1592 O LEU A 110 -12.564 -3.360 1.465 1.00 0.00 O ATOM 1593 CB LEU A 110 -9.680 -4.474 0.373 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.382 -3.740 0.045 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.452 -3.776 1.257 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.702 -4.422 -1.133 1.00 0.00 C ATOM 0 H LEU A 110 -10.837 -5.939 2.036 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.474 -3.369 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.493 -5.544 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.399 -4.346 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.605 -2.704 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.526 -3.252 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.938 -3.291 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.227 -4.812 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.775 -3.900 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.480 -5.458 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.363 -4.397 -1.999 1.00 0.00 H new ATOM 1608 N LEU A 111 -11.123 -1.764 1.021 1.00 0.00 N ATOM 1609 CA LEU A 111 -12.225 -0.810 0.726 1.00 0.00 C ATOM 1610 C LEU A 111 -11.739 0.260 -0.243 1.00 0.00 C ATOM 1611 O LEU A 111 -11.900 0.156 -1.443 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.681 -0.143 2.026 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.655 -1.064 2.763 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -12.964 -1.660 3.991 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.880 -0.261 3.209 1.00 0.00 C ATOM 0 H LEU A 111 -10.179 -1.389 0.926 1.00 0.00 H new ATOM 0 HA LEU A 111 -13.057 -1.352 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.819 0.071 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -13.161 0.811 1.808 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.969 -1.867 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.658 -2.316 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.092 -2.232 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.650 -0.857 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.574 -0.917 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.566 0.542 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.374 0.165 2.335 1.00 0.00 H new ATOM 1627 N GLU A 112 -11.158 1.294 0.278 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.666 2.397 -0.597 1.00 0.00 C ATOM 1629 C GLU A 112 -9.202 2.164 -0.977 1.00 0.00 C ATOM 1630 O GLU A 112 -8.325 2.926 -0.621 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.801 3.734 0.132 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.559 4.725 -0.755 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.135 5.847 0.111 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -12.036 5.743 1.323 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -12.664 6.790 -0.451 1.00 0.00 O ATOM 0 H GLU A 112 -10.999 1.429 1.276 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.267 2.416 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.330 3.595 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.815 4.129 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.890 5.140 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.361 4.214 -1.287 1.00 0.00 H new ATOM 1642 N SER A 113 -8.943 1.129 -1.722 1.00 0.00 N ATOM 1643 CA SER A 113 -7.546 0.845 -2.166 1.00 0.00 C ATOM 1644 C SER A 113 -7.412 1.321 -3.611 1.00 0.00 C ATOM 1645 O SER A 113 -7.622 0.572 -4.543 1.00 0.00 O ATOM 1646 CB SER A 113 -7.278 -0.659 -2.093 1.00 0.00 C ATOM 1647 OG SER A 113 -8.456 -1.368 -2.449 1.00 0.00 O ATOM 0 H SER A 113 -9.642 0.461 -2.047 1.00 0.00 H new ATOM 0 HA SER A 113 -6.829 1.358 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.463 -0.927 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.965 -0.935 -1.086 1.00 0.00 H new ATOM 0 HG SER A 113 -8.764 -1.069 -3.330 1.00 0.00 H new ATOM 1653 N LYS A 114 -7.083 2.568 -3.804 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.961 3.091 -5.194 1.00 0.00 C ATOM 1655 C LYS A 114 -6.148 4.380 -5.181 1.00 0.00 C ATOM 1656 O LYS A 114 -5.920 4.971 -4.148 1.00 0.00 O ATOM 1657 CB LYS A 114 -8.355 3.373 -5.758 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.994 2.063 -6.222 1.00 0.00 C ATOM 1659 CD LYS A 114 -10.197 2.372 -7.117 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.409 1.220 -8.102 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.870 1.013 -8.316 1.00 0.00 N ATOM 0 H LYS A 114 -6.894 3.244 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.460 2.351 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.978 3.844 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.287 4.072 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.265 1.464 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.310 1.475 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.090 2.513 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.031 3.303 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.920 1.443 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.954 0.308 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.015 0.230 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.324 0.782 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.291 1.882 -8.703 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.699 4.817 -6.323 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.884 6.063 -6.371 1.00 0.00 C ATOM 1677 C CYS A 115 -5.653 7.152 -7.121 1.00 0.00 C ATOM 1678 O CYS A 115 -6.433 6.877 -8.011 1.00 0.00 O ATOM 1679 CB CYS A 115 -3.560 5.781 -7.091 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.074 4.051 -6.842 1.00 0.00 S ATOM 0 H CYS A 115 -5.860 4.367 -7.224 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.680 6.401 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.664 5.988 -8.156 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.782 6.444 -6.712 1.00 0.00 H new ATOM 1685 N GLN A 116 -5.439 8.390 -6.765 1.00 0.00 N ATOM 1686 CA GLN A 116 -6.156 9.498 -7.456 1.00 0.00 C ATOM 1687 C GLN A 116 -5.160 10.317 -8.278 1.00 0.00 C ATOM 1688 CB GLN A 116 -6.823 10.402 -6.416 1.00 0.00 C ATOM 1689 CG GLN A 116 -7.695 11.440 -7.127 1.00 0.00 C ATOM 1690 CD GLN A 116 -7.277 12.845 -6.689 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -6.131 13.074 -6.357 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -8.164 13.803 -6.678 1.00 0.00 N ATOM 0 H GLN A 116 -4.799 8.681 -6.026 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.916 9.081 -8.117 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.431 9.805 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.065 10.900 -5.812 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.591 11.339 -8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -8.746 11.271 -6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.126 13.610 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -7.895 14.744 -6.391 1.00 0.00 H new TER 1701 GLN A 116