USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 72 HIS : no HD1:sc= 0.591 K(o=1.8,f=-2.6!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.1) USER MOD Set 2.1: A 73 MET CE :methyl -171:sc= -0.0154 (180deg=-0.153) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 63 LYS NZ :NH3+ 158:sc= 0.0651 (180deg=0.00443) USER MOD Single : A 26 GLN : amide:sc= 0.0827 K(o=0.083,f=-2.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.551 K(o=0.55,f=-2.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 169:sc= 0 (180deg=-0.156) USER MOD Single : A 48 THR OG1 : rot -83:sc= 0.795 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -169:sc= -0.0586 (180deg=-0.324) USER MOD Single : A 54 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 55 TYR OH : rot -154:sc=0.000879 USER MOD Single : A 58 GLN : amide:sc= 0.939 K(o=0.94,f=-0.62) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 68 GLN : amide:sc= 0.943 K(o=0.94,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.061) USER MOD Single : A 71 GLN : amide:sc= 0.393 X(o=0.39,f=-0.053) USER MOD Single : A 76 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -160:sc= 0.00905 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -174:sc= -1.46 (180deg=-1.65) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -2.78! C(o=-2.8!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.819 7.693 7.643 1.00 0.00 N ATOM 52 CA GLN A 26 10.108 7.268 6.270 1.00 0.00 C ATOM 53 C GLN A 26 11.579 7.540 5.872 1.00 0.00 C ATOM 54 O GLN A 26 12.382 7.976 6.697 1.00 0.00 O ATOM 55 CB GLN A 26 9.097 7.849 5.278 1.00 0.00 C ATOM 56 CG GLN A 26 8.318 6.728 4.571 1.00 0.00 C ATOM 57 CD GLN A 26 9.147 5.587 3.988 1.00 0.00 C ATOM 58 OE1 GLN A 26 9.954 5.775 3.096 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.029 4.383 4.499 1.00 0.00 N ATOM 0 HA GLN A 26 9.989 6.185 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.403 8.505 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.616 8.459 4.539 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.608 6.305 5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.735 7.173 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.357 4.210 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.609 3.621 4.148 1.00 0.00 H new ATOM 68 N VAL A 27 11.954 7.217 4.630 1.00 0.00 N ATOM 69 CA VAL A 27 13.341 7.178 4.128 1.00 0.00 C ATOM 70 C VAL A 27 13.719 8.368 3.246 1.00 0.00 C ATOM 71 O VAL A 27 12.876 8.969 2.580 1.00 0.00 O ATOM 72 CB VAL A 27 13.556 5.841 3.376 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.986 5.619 2.864 1.00 0.00 C ATOM 74 CG2 VAL A 27 13.237 4.634 4.274 1.00 0.00 C ATOM 0 H VAL A 27 11.274 6.964 3.913 1.00 0.00 H new ATOM 0 HA VAL A 27 14.003 7.248 4.991 1.00 0.00 H new ATOM 0 HB VAL A 27 12.879 5.918 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.044 4.659 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.253 6.417 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.679 5.623 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.398 3.712 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.889 4.648 5.147 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.197 4.685 4.597 1.00 0.00 H new ATOM 84 N ARG A 28 15.017 8.709 3.257 1.00 0.00 N ATOM 85 CA ARG A 28 15.616 9.775 2.449 1.00 0.00 C ATOM 86 C ARG A 28 16.195 9.293 1.104 1.00 0.00 C ATOM 87 O ARG A 28 16.800 8.219 1.061 1.00 0.00 O ATOM 88 CB ARG A 28 16.665 10.546 3.277 1.00 0.00 C ATOM 89 CG ARG A 28 17.868 9.727 3.790 1.00 0.00 C ATOM 90 CD ARG A 28 19.055 10.612 4.199 1.00 0.00 C ATOM 91 NE ARG A 28 18.713 11.560 5.282 1.00 0.00 N ATOM 92 CZ ARG A 28 18.805 12.880 5.262 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.211 13.541 4.216 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.479 13.579 6.308 1.00 0.00 N ATOM 0 H ARG A 28 15.698 8.233 3.849 1.00 0.00 H new ATOM 0 HA ARG A 28 14.806 10.452 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.045 11.367 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.163 10.991 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.556 9.127 4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.188 9.033 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.881 9.979 4.523 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.404 11.170 3.330 1.00 0.00 H new ATOM 0 HE ARG A 28 18.365 11.147 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.474 13.041 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.266 14.559 4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.150 13.111 7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.553 14.596 6.285 1.00 0.00 H new ATOM 108 N PRO A 29 16.052 10.066 0.009 1.00 0.00 N ATOM 109 CA PRO A 29 16.772 9.817 -1.241 1.00 0.00 C ATOM 110 C PRO A 29 18.278 10.085 -1.066 1.00 0.00 C ATOM 111 O PRO A 29 18.711 10.695 -0.083 1.00 0.00 O ATOM 112 CB PRO A 29 16.159 10.756 -2.291 1.00 0.00 C ATOM 113 CG PRO A 29 14.868 11.266 -1.659 1.00 0.00 C ATOM 114 CD PRO A 29 15.134 11.178 -0.160 1.00 0.00 C ATOM 0 HA PRO A 29 16.677 8.776 -1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.834 11.578 -2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.960 10.229 -3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.649 12.289 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.013 10.656 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.567 12.105 0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.210 11.011 0.393 1.00 0.00 H new ATOM 122 N LYS A 30 19.081 9.681 -2.055 1.00 0.00 N ATOM 123 CA LYS A 30 20.510 10.030 -2.137 1.00 0.00 C ATOM 124 C LYS A 30 20.686 11.511 -2.500 1.00 0.00 C ATOM 125 O LYS A 30 19.816 12.105 -3.137 1.00 0.00 O ATOM 126 CB LYS A 30 21.228 9.092 -3.127 1.00 0.00 C ATOM 127 CG LYS A 30 22.653 8.738 -2.687 1.00 0.00 C ATOM 128 CD LYS A 30 23.541 8.275 -3.852 1.00 0.00 C ATOM 129 CE LYS A 30 24.987 8.124 -3.355 1.00 0.00 C ATOM 130 NZ LYS A 30 25.890 7.607 -4.421 1.00 0.00 N ATOM 0 H LYS A 30 18.759 9.099 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 30 20.972 9.888 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.649 8.175 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 30 21.263 9.566 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.108 9.608 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.610 7.951 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.178 7.326 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.497 8.997 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 30 25.353 9.089 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 30 25.008 7.447 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.856 7.520 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 25.556 6.674 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.890 8.266 -5.226 1.00 0.00 H new ATOM 144 N LEU A 31 21.839 12.081 -2.158 1.00 0.00 N ATOM 145 CA LEU A 31 22.168 13.510 -2.271 1.00 0.00 C ATOM 146 C LEU A 31 21.806 14.169 -3.629 1.00 0.00 C ATOM 147 O LEU A 31 21.084 15.168 -3.609 1.00 0.00 O ATOM 148 CB LEU A 31 23.653 13.657 -1.869 1.00 0.00 C ATOM 149 CG LEU A 31 24.250 15.067 -2.007 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.531 16.097 -1.134 1.00 0.00 C ATOM 151 CD2 LEU A 31 25.724 15.046 -1.606 1.00 0.00 C ATOM 0 H LEU A 31 22.611 11.536 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 31 21.533 14.080 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.762 13.337 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 31 24.244 12.972 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 31 24.130 15.358 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 31 23.993 17.075 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.481 16.148 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.606 15.803 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 31 26.142 16.048 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 31 25.815 14.716 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 31 26.268 14.359 -2.255 1.00 0.00 H new ATOM 163 N PRO A 32 22.219 13.642 -4.805 1.00 0.00 N ATOM 164 CA PRO A 32 21.864 14.250 -6.094 1.00 0.00 C ATOM 165 C PRO A 32 20.378 14.120 -6.447 1.00 0.00 C ATOM 166 O PRO A 32 19.837 15.026 -7.073 1.00 0.00 O ATOM 167 CB PRO A 32 22.756 13.570 -7.139 1.00 0.00 C ATOM 168 CG PRO A 32 23.106 12.226 -6.503 1.00 0.00 C ATOM 169 CD PRO A 32 23.169 12.554 -5.014 1.00 0.00 C ATOM 0 HA PRO A 32 22.031 15.326 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 32 22.233 13.440 -8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 32 23.649 14.159 -7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.351 11.470 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 32 24.057 11.841 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.907 11.685 -4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 32 24.176 12.853 -4.722 1.00 0.00 H new ATOM 177 N LEU A 33 19.690 13.046 -6.028 1.00 0.00 N ATOM 178 CA LEU A 33 18.266 12.844 -6.346 1.00 0.00 C ATOM 179 C LEU A 33 17.350 13.682 -5.435 1.00 0.00 C ATOM 180 O LEU A 33 16.413 14.307 -5.923 1.00 0.00 O ATOM 181 CB LEU A 33 17.914 11.335 -6.386 1.00 0.00 C ATOM 182 CG LEU A 33 18.166 10.707 -7.778 1.00 0.00 C ATOM 183 CD1 LEU A 33 19.647 10.534 -8.116 1.00 0.00 C ATOM 184 CD2 LEU A 33 17.450 9.381 -8.012 1.00 0.00 C ATOM 0 H LEU A 33 20.099 12.300 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 33 18.080 13.220 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.507 10.807 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.867 11.202 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 33 17.734 11.447 -8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 33 19.745 10.089 -9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.139 11.507 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.115 9.883 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.683 9.013 -9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.781 8.653 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.374 9.528 -7.921 1.00 0.00 H new ATOM 196 N LEU A 34 17.679 13.819 -4.147 1.00 0.00 N ATOM 197 CA LEU A 34 17.015 14.741 -3.205 1.00 0.00 C ATOM 198 C LEU A 34 17.045 16.203 -3.686 1.00 0.00 C ATOM 199 O LEU A 34 16.111 16.960 -3.423 1.00 0.00 O ATOM 200 CB LEU A 34 17.716 14.583 -1.840 1.00 0.00 C ATOM 201 CG LEU A 34 17.181 15.450 -0.681 1.00 0.00 C ATOM 202 CD1 LEU A 34 15.683 15.269 -0.434 1.00 0.00 C ATOM 203 CD2 LEU A 34 17.914 15.067 0.605 1.00 0.00 C ATOM 0 H LEU A 34 18.431 13.282 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 34 15.958 14.486 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.648 13.537 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.774 14.808 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 34 17.353 16.489 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.371 15.906 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.130 15.544 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.478 14.227 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.543 15.675 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.740 14.013 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.983 15.240 0.480 1.00 0.00 H new ATOM 215 N LYS A 35 18.085 16.606 -4.427 1.00 0.00 N ATOM 216 CA LYS A 35 18.262 17.977 -4.922 1.00 0.00 C ATOM 217 C LYS A 35 17.097 18.461 -5.786 1.00 0.00 C ATOM 218 O LYS A 35 16.723 19.624 -5.704 1.00 0.00 O ATOM 219 CB LYS A 35 19.606 18.062 -5.677 1.00 0.00 C ATOM 220 CG LYS A 35 20.263 19.433 -5.478 1.00 0.00 C ATOM 221 CD LYS A 35 20.901 19.537 -4.078 1.00 0.00 C ATOM 222 CE LYS A 35 22.322 18.950 -3.994 1.00 0.00 C ATOM 223 NZ LYS A 35 23.340 19.819 -4.654 1.00 0.00 N ATOM 0 H LYS A 35 18.840 15.978 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 35 18.276 18.649 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.276 17.279 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.442 17.884 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.024 19.591 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.519 20.219 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.934 20.585 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.263 19.022 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.592 18.810 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.333 17.965 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.279 19.379 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.100 19.933 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.352 20.751 -4.193 1.00 0.00 H new ATOM 237 N ILE A 36 16.468 17.563 -6.545 1.00 0.00 N ATOM 238 CA ILE A 36 15.286 17.844 -7.368 1.00 0.00 C ATOM 239 C ILE A 36 14.076 18.170 -6.473 1.00 0.00 C ATOM 240 O ILE A 36 13.377 19.155 -6.700 1.00 0.00 O ATOM 241 CB ILE A 36 15.014 16.623 -8.266 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.129 16.390 -9.306 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.699 16.810 -9.044 1.00 0.00 C ATOM 244 CD1 ILE A 36 17.530 15.993 -8.846 1.00 0.00 C ATOM 0 H ILE A 36 16.774 16.592 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 36 15.463 18.715 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 36 14.963 15.765 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.780 15.615 -9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 36 16.226 17.306 -9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.522 15.938 -9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.874 16.924 -8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.769 17.701 -9.669 1.00 0.00 H new ATOM 0 HD11 ILE A 36 18.178 15.873 -9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 36 17.934 16.770 -8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.480 15.052 -8.298 1.00 0.00 H new ATOM 256 N LEU A 37 13.859 17.380 -5.413 1.00 0.00 N ATOM 257 CA LEU A 37 12.764 17.568 -4.453 1.00 0.00 C ATOM 258 C LEU A 37 12.932 18.905 -3.711 1.00 0.00 C ATOM 259 O LEU A 37 11.978 19.662 -3.542 1.00 0.00 O ATOM 260 CB LEU A 37 12.753 16.394 -3.447 1.00 0.00 C ATOM 261 CG LEU A 37 12.324 14.996 -3.935 1.00 0.00 C ATOM 262 CD1 LEU A 37 13.149 14.400 -5.073 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.435 14.046 -2.749 1.00 0.00 C ATOM 0 H LEU A 37 14.450 16.578 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 37 11.815 17.588 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.758 16.305 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.094 16.672 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 37 11.316 15.117 -4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.756 13.417 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.093 15.053 -5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.188 14.304 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.138 13.043 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.465 14.027 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.781 14.388 -1.947 1.00 0.00 H new ATOM 275 N HIS A 38 14.165 19.239 -3.319 1.00 0.00 N ATOM 276 CA HIS A 38 14.499 20.513 -2.672 1.00 0.00 C ATOM 277 C HIS A 38 14.380 21.703 -3.627 1.00 0.00 C ATOM 278 O HIS A 38 13.789 22.711 -3.244 1.00 0.00 O ATOM 279 CB HIS A 38 15.899 20.402 -2.044 1.00 0.00 C ATOM 280 CG HIS A 38 15.940 19.637 -0.737 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.064 19.503 0.086 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.876 19.049 -0.115 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.645 18.841 1.180 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.333 18.560 1.087 1.00 0.00 N ATOM 0 H HIS A 38 14.970 18.625 -3.443 1.00 0.00 H new ATOM 0 HA HIS A 38 13.773 20.709 -1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.566 19.916 -2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.289 21.406 -1.876 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.867 18.981 -0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.274 18.573 2.016 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.774 18.070 1.786 1.00 0.00 H new ATOM 292 N ALA A 39 14.801 21.562 -4.889 1.00 0.00 N ATOM 293 CA ALA A 39 14.635 22.578 -5.931 1.00 0.00 C ATOM 294 C ALA A 39 13.158 22.921 -6.174 1.00 0.00 C ATOM 295 O ALA A 39 12.837 24.053 -6.545 1.00 0.00 O ATOM 296 CB ALA A 39 15.314 22.091 -7.215 1.00 0.00 C ATOM 0 H ALA A 39 15.276 20.722 -5.220 1.00 0.00 H new ATOM 0 HA ALA A 39 15.109 23.501 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.195 22.841 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.375 21.928 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.855 21.156 -7.537 1.00 0.00 H new ATOM 302 N ALA A 40 12.260 21.966 -5.907 1.00 0.00 N ATOM 303 CA ALA A 40 10.825 22.198 -5.924 1.00 0.00 C ATOM 304 C ALA A 40 10.258 22.776 -4.610 1.00 0.00 C ATOM 305 O ALA A 40 9.181 23.372 -4.640 1.00 0.00 O ATOM 306 CB ALA A 40 10.126 20.894 -6.301 1.00 0.00 C ATOM 0 H ALA A 40 12.518 21.007 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 40 10.629 22.970 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.048 21.051 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.462 20.573 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.369 20.126 -5.567 1.00 0.00 H new ATOM 312 N GLY A 41 10.940 22.593 -3.470 1.00 0.00 N ATOM 313 CA GLY A 41 10.488 23.026 -2.142 1.00 0.00 C ATOM 314 C GLY A 41 9.802 21.924 -1.322 1.00 0.00 C ATOM 315 O GLY A 41 8.681 22.119 -0.848 1.00 0.00 O ATOM 0 H GLY A 41 11.847 22.126 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.345 23.400 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.796 23.860 -2.260 1.00 0.00 H new ATOM 319 N ALA A 42 10.452 20.762 -1.160 1.00 0.00 N ATOM 320 CA ALA A 42 9.967 19.679 -0.291 1.00 0.00 C ATOM 321 C ALA A 42 9.928 20.058 1.205 1.00 0.00 C ATOM 322 O ALA A 42 10.620 20.975 1.656 1.00 0.00 O ATOM 323 CB ALA A 42 10.797 18.414 -0.528 1.00 0.00 C ATOM 0 H ALA A 42 11.331 20.546 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 42 8.929 19.488 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.434 17.614 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.705 18.108 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.843 18.617 -0.301 1.00 0.00 H new ATOM 329 N GLN A 43 9.133 19.315 1.985 1.00 0.00 N ATOM 330 CA GLN A 43 8.823 19.605 3.397 1.00 0.00 C ATOM 331 C GLN A 43 9.686 18.786 4.385 1.00 0.00 C ATOM 332 O GLN A 43 9.247 18.437 5.484 1.00 0.00 O ATOM 333 CB GLN A 43 7.300 19.462 3.601 1.00 0.00 C ATOM 334 CG GLN A 43 6.760 20.294 4.778 1.00 0.00 C ATOM 335 CD GLN A 43 5.246 20.151 4.924 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.465 20.984 4.477 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.763 19.091 5.544 1.00 0.00 N ATOM 0 H GLN A 43 8.673 18.471 1.645 1.00 0.00 H new ATOM 0 HA GLN A 43 9.098 20.633 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.789 19.764 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.060 18.412 3.768 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.246 19.977 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.014 21.343 4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.398 18.388 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.755 18.975 5.645 1.00 0.00 H new ATOM 346 N GLY A 44 10.913 18.439 3.982 1.00 0.00 N ATOM 347 CA GLY A 44 11.829 17.591 4.753 1.00 0.00 C ATOM 348 C GLY A 44 12.928 16.940 3.911 1.00 0.00 C ATOM 349 O GLY A 44 13.299 17.426 2.842 1.00 0.00 O ATOM 0 H GLY A 44 11.305 18.746 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.292 18.192 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.254 16.809 5.249 1.00 0.00 H new ATOM 353 N GLU A 45 13.435 15.814 4.410 1.00 0.00 N ATOM 354 CA GLU A 45 14.399 14.933 3.726 1.00 0.00 C ATOM 355 C GLU A 45 13.977 13.450 3.714 1.00 0.00 C ATOM 356 O GLU A 45 14.490 12.690 2.901 1.00 0.00 O ATOM 357 CB GLU A 45 15.778 15.057 4.391 1.00 0.00 C ATOM 358 CG GLU A 45 16.395 16.458 4.325 1.00 0.00 C ATOM 359 CD GLU A 45 17.831 16.405 4.873 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.021 16.343 6.111 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.794 16.299 4.078 1.00 0.00 O ATOM 0 H GLU A 45 13.180 15.471 5.336 1.00 0.00 H new ATOM 0 HA GLU A 45 14.434 15.264 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.690 14.762 5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.460 14.351 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.399 16.819 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.797 17.160 4.907 1.00 0.00 H new ATOM 368 N MET A 46 13.050 13.041 4.589 1.00 0.00 N ATOM 369 CA MET A 46 12.543 11.669 4.772 1.00 0.00 C ATOM 370 C MET A 46 11.056 11.634 4.386 1.00 0.00 C ATOM 371 O MET A 46 10.260 12.328 5.017 1.00 0.00 O ATOM 372 CB MET A 46 12.690 11.268 6.251 1.00 0.00 C ATOM 373 CG MET A 46 14.103 10.820 6.650 1.00 0.00 C ATOM 374 SD MET A 46 15.380 12.107 6.765 1.00 0.00 S ATOM 375 CE MET A 46 14.770 13.070 8.178 1.00 0.00 C ATOM 0 H MET A 46 12.604 13.698 5.230 1.00 0.00 H new ATOM 0 HA MET A 46 13.107 10.977 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.401 12.114 6.874 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.991 10.460 6.467 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.039 10.320 7.617 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.438 10.075 5.928 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.538 13.774 8.497 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.874 13.618 7.885 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.531 12.397 9.001 1.00 0.00 H new ATOM 385 N PHE A 47 10.662 10.850 3.377 1.00 0.00 N ATOM 386 CA PHE A 47 9.270 10.824 2.873 1.00 0.00 C ATOM 387 C PHE A 47 8.876 9.495 2.195 1.00 0.00 C ATOM 388 O PHE A 47 9.725 8.720 1.755 1.00 0.00 O ATOM 389 CB PHE A 47 8.998 11.980 1.883 1.00 0.00 C ATOM 390 CG PHE A 47 10.101 12.986 1.640 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.331 12.556 1.109 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.889 14.350 1.913 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.334 13.493 0.837 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.888 15.290 1.610 1.00 0.00 C ATOM 395 CZ PHE A 47 12.109 14.864 1.060 1.00 0.00 C ATOM 0 H PHE A 47 11.290 10.216 2.883 1.00 0.00 H new ATOM 0 HA PHE A 47 8.656 10.940 3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.731 11.540 0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.123 12.524 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.500 11.508 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.959 14.674 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.288 13.162 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.718 16.340 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.872 15.586 0.809 1.00 0.00 H new ATOM 405 N THR A 48 7.568 9.249 2.084 1.00 0.00 N ATOM 406 CA THR A 48 6.964 8.113 1.348 1.00 0.00 C ATOM 407 C THR A 48 7.001 8.305 -0.170 1.00 0.00 C ATOM 408 O THR A 48 7.163 9.421 -0.650 1.00 0.00 O ATOM 409 CB THR A 48 5.501 7.890 1.779 1.00 0.00 C ATOM 410 OG1 THR A 48 4.769 9.080 1.673 1.00 0.00 O ATOM 411 CG2 THR A 48 5.330 7.372 3.199 1.00 0.00 C ATOM 0 H THR A 48 6.867 9.851 2.516 1.00 0.00 H new ATOM 0 HA THR A 48 7.568 7.241 1.600 1.00 0.00 H new ATOM 0 HB THR A 48 5.132 7.122 1.099 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.917 9.627 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.269 7.245 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.838 6.413 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.760 8.086 3.901 1.00 0.00 H new ATOM 419 N VAL A 49 6.755 7.230 -0.936 1.00 0.00 N ATOM 420 CA VAL A 49 6.682 7.185 -2.411 1.00 0.00 C ATOM 421 C VAL A 49 5.784 8.293 -2.954 1.00 0.00 C ATOM 422 O VAL A 49 6.148 9.036 -3.870 1.00 0.00 O ATOM 423 CB VAL A 49 6.223 5.788 -2.885 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.809 5.373 -2.468 1.00 0.00 C ATOM 425 CG2 VAL A 49 6.348 5.628 -4.402 1.00 0.00 C ATOM 0 H VAL A 49 6.592 6.313 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 49 7.680 7.361 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 49 6.910 5.121 -2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.593 4.377 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.739 5.363 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.087 6.083 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.015 4.631 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.730 6.376 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.388 5.763 -4.698 1.00 0.00 H new ATOM 435 N LYS A 50 4.634 8.444 -2.289 1.00 0.00 N ATOM 436 CA LYS A 50 3.562 9.349 -2.667 1.00 0.00 C ATOM 437 C LYS A 50 3.912 10.820 -2.405 1.00 0.00 C ATOM 438 O LYS A 50 3.488 11.697 -3.152 1.00 0.00 O ATOM 439 CB LYS A 50 2.290 8.834 -1.978 1.00 0.00 C ATOM 440 CG LYS A 50 2.173 9.215 -0.499 1.00 0.00 C ATOM 441 CD LYS A 50 0.973 8.556 0.191 1.00 0.00 C ATOM 442 CE LYS A 50 1.010 8.898 1.688 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.130 8.282 2.422 1.00 0.00 N ATOM 0 H LYS A 50 4.424 7.916 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 50 3.394 9.349 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.421 9.221 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.259 7.748 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.088 8.927 0.019 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.086 10.298 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.042 8.909 -0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.004 7.476 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.950 8.551 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.982 9.980 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.072 8.535 3.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.026 8.633 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.089 7.248 2.322 1.00 0.00 H new ATOM 457 N GLU A 51 4.740 11.076 -1.390 1.00 0.00 N ATOM 458 CA GLU A 51 5.341 12.385 -1.116 1.00 0.00 C ATOM 459 C GLU A 51 6.507 12.672 -2.076 1.00 0.00 C ATOM 460 O GLU A 51 6.486 13.699 -2.752 1.00 0.00 O ATOM 461 CB GLU A 51 5.804 12.449 0.347 1.00 0.00 C ATOM 462 CG GLU A 51 4.643 12.414 1.348 1.00 0.00 C ATOM 463 CD GLU A 51 5.161 12.228 2.789 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.684 11.129 3.102 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.023 13.166 3.613 1.00 0.00 O ATOM 0 H GLU A 51 5.019 10.361 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 51 4.587 13.155 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.473 11.612 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.380 13.362 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.071 13.340 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.964 11.600 1.094 1.00 0.00 H new ATOM 472 N VAL A 52 7.486 11.760 -2.216 1.00 0.00 N ATOM 473 CA VAL A 52 8.669 11.976 -3.070 1.00 0.00 C ATOM 474 C VAL A 52 8.299 12.289 -4.514 1.00 0.00 C ATOM 475 O VAL A 52 8.779 13.269 -5.085 1.00 0.00 O ATOM 476 CB VAL A 52 9.691 10.824 -3.034 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.372 10.734 -1.671 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.217 9.430 -3.403 1.00 0.00 C ATOM 0 H VAL A 52 7.480 10.856 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 52 9.153 12.849 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 52 10.369 11.118 -3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.088 9.912 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.893 11.668 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.622 10.557 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.050 8.731 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.425 9.123 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.835 9.434 -4.424 1.00 0.00 H new ATOM 488 N MET A 53 7.398 11.490 -5.085 1.00 0.00 N ATOM 489 CA MET A 53 6.891 11.724 -6.442 1.00 0.00 C ATOM 490 C MET A 53 6.079 13.026 -6.590 1.00 0.00 C ATOM 491 O MET A 53 6.135 13.647 -7.649 1.00 0.00 O ATOM 492 CB MET A 53 6.124 10.496 -6.948 1.00 0.00 C ATOM 493 CG MET A 53 4.695 10.356 -6.409 1.00 0.00 C ATOM 494 SD MET A 53 3.914 8.758 -6.771 1.00 0.00 S ATOM 495 CE MET A 53 4.095 8.706 -8.576 1.00 0.00 C ATOM 0 H MET A 53 7.001 10.669 -4.628 1.00 0.00 H new ATOM 0 HA MET A 53 7.762 11.872 -7.080 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.083 10.535 -8.037 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.686 9.601 -6.682 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.710 10.503 -5.329 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.080 11.151 -6.831 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.498 7.887 -8.978 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.753 9.649 -9.003 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.143 8.551 -8.832 1.00 0.00 H new ATOM 505 N HIS A 54 5.383 13.501 -5.549 1.00 0.00 N ATOM 506 CA HIS A 54 4.611 14.754 -5.616 1.00 0.00 C ATOM 507 C HIS A 54 5.517 15.967 -5.845 1.00 0.00 C ATOM 508 O HIS A 54 5.188 16.842 -6.647 1.00 0.00 O ATOM 509 CB HIS A 54 3.775 14.941 -4.344 1.00 0.00 C ATOM 510 CG HIS A 54 2.910 16.178 -4.384 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.664 16.279 -5.011 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.237 17.391 -3.850 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.270 17.554 -4.839 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.195 18.242 -4.146 1.00 0.00 N ATOM 0 H HIS A 54 5.337 13.034 -4.643 1.00 0.00 H new ATOM 0 HA HIS A 54 3.939 14.679 -6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.142 14.066 -4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.441 14.998 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.136 17.635 -3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.342 17.967 -5.206 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.135 19.226 -3.884 1.00 0.00 H new ATOM 522 N TYR A 55 6.702 15.985 -5.225 1.00 0.00 N ATOM 523 CA TYR A 55 7.695 17.034 -5.476 1.00 0.00 C ATOM 524 C TYR A 55 8.240 17.001 -6.912 1.00 0.00 C ATOM 525 O TYR A 55 8.606 18.053 -7.426 1.00 0.00 O ATOM 526 CB TYR A 55 8.844 16.966 -4.465 1.00 0.00 C ATOM 527 CG TYR A 55 8.412 16.864 -3.016 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.594 17.854 -2.440 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.797 15.746 -2.258 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.106 17.691 -1.128 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.335 15.591 -0.940 1.00 0.00 C ATOM 532 CZ TYR A 55 7.474 16.554 -0.374 1.00 0.00 C ATOM 533 OH TYR A 55 7.015 16.390 0.898 1.00 0.00 O ATOM 0 H TYR A 55 6.997 15.284 -4.545 1.00 0.00 H new ATOM 0 HA TYR A 55 7.175 17.984 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.469 16.106 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.465 17.854 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.340 18.739 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.451 15.003 -2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.451 18.435 -0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.640 14.733 -0.359 1.00 0.00 H new ATOM 0 HH TYR A 55 7.641 15.828 1.402 1.00 0.00 H new ATOM 543 N LEU A 56 8.249 15.849 -7.598 1.00 0.00 N ATOM 544 CA LEU A 56 8.579 15.797 -9.032 1.00 0.00 C ATOM 545 C LEU A 56 7.460 16.435 -9.859 1.00 0.00 C ATOM 546 O LEU A 56 7.732 17.289 -10.698 1.00 0.00 O ATOM 547 CB LEU A 56 8.833 14.360 -9.520 1.00 0.00 C ATOM 548 CG LEU A 56 9.801 13.518 -8.688 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.019 12.164 -9.350 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.170 14.166 -8.482 1.00 0.00 C ATOM 0 H LEU A 56 8.032 14.942 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 56 9.502 16.360 -9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.876 13.839 -9.561 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.213 14.408 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 56 9.331 13.419 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.710 11.572 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.066 11.640 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.437 12.309 -10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.798 13.507 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.642 14.335 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.048 15.118 -7.966 1.00 0.00 H new ATOM 562 N GLY A 57 6.201 16.091 -9.572 1.00 0.00 N ATOM 563 CA GLY A 57 5.037 16.705 -10.213 1.00 0.00 C ATOM 564 C GLY A 57 5.021 18.230 -10.061 1.00 0.00 C ATOM 565 O GLY A 57 4.931 18.956 -11.054 1.00 0.00 O ATOM 0 H GLY A 57 5.961 15.376 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.032 16.448 -11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.127 16.290 -9.780 1.00 0.00 H new ATOM 569 N GLN A 58 5.252 18.736 -8.843 1.00 0.00 N ATOM 570 CA GLN A 58 5.339 20.180 -8.604 1.00 0.00 C ATOM 571 C GLN A 58 6.588 20.804 -9.246 1.00 0.00 C ATOM 572 O GLN A 58 6.483 21.911 -9.772 1.00 0.00 O ATOM 573 CB GLN A 58 5.181 20.508 -7.105 1.00 0.00 C ATOM 574 CG GLN A 58 6.498 20.738 -6.339 1.00 0.00 C ATOM 575 CD GLN A 58 6.302 20.807 -4.819 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.454 20.150 -4.232 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.101 21.571 -4.105 1.00 0.00 N ATOM 0 H GLN A 58 5.382 18.165 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 58 4.497 20.653 -9.110 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.563 21.401 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.639 19.692 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.194 19.933 -6.574 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.955 21.666 -6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.818 22.131 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.003 21.603 -3.090 1.00 0.00 H new ATOM 586 N TYR A 59 7.740 20.107 -9.271 1.00 0.00 N ATOM 587 CA TYR A 59 8.951 20.578 -9.947 1.00 0.00 C ATOM 588 C TYR A 59 8.656 20.793 -11.434 1.00 0.00 C ATOM 589 O TYR A 59 8.913 21.861 -11.973 1.00 0.00 O ATOM 590 CB TYR A 59 10.104 19.566 -9.785 1.00 0.00 C ATOM 591 CG TYR A 59 11.420 19.925 -10.456 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.572 19.700 -11.838 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.516 20.400 -9.704 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.814 19.908 -12.465 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.768 20.586 -10.328 1.00 0.00 C ATOM 596 CZ TYR A 59 13.924 20.322 -11.704 1.00 0.00 C ATOM 597 OH TYR A 59 15.135 20.479 -12.308 1.00 0.00 O ATOM 0 H TYR A 59 7.851 19.199 -8.820 1.00 0.00 H new ATOM 0 HA TYR A 59 9.257 21.520 -9.492 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.290 19.429 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.772 18.605 -10.177 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.727 19.365 -12.422 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.397 20.621 -8.654 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.916 19.750 -13.529 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.611 20.932 -9.748 1.00 0.00 H new ATOM 0 HH TYR A 59 15.796 20.770 -11.645 1.00 0.00 H new ATOM 607 N ILE A 60 8.052 19.807 -12.103 1.00 0.00 N ATOM 608 CA ILE A 60 7.708 19.895 -13.530 1.00 0.00 C ATOM 609 C ILE A 60 6.703 21.024 -13.765 1.00 0.00 C ATOM 610 O ILE A 60 6.852 21.781 -14.721 1.00 0.00 O ATOM 611 CB ILE A 60 7.139 18.551 -14.024 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.146 17.399 -13.875 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.718 18.648 -15.497 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.429 16.060 -13.688 1.00 0.00 C ATOM 0 H ILE A 60 7.786 18.922 -11.672 1.00 0.00 H new ATOM 0 HA ILE A 60 8.613 20.117 -14.096 1.00 0.00 H new ATOM 0 HB ILE A 60 6.273 18.336 -13.398 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.784 17.353 -14.758 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.797 17.589 -13.021 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.319 17.688 -15.825 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.952 19.416 -15.607 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.583 18.909 -16.106 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.166 15.264 -13.585 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.811 16.100 -12.791 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.798 15.861 -14.554 1.00 0.00 H new ATOM 626 N MET A 61 5.710 21.176 -12.887 1.00 0.00 N ATOM 627 CA MET A 61 4.691 22.218 -13.016 1.00 0.00 C ATOM 628 C MET A 61 5.285 23.637 -12.900 1.00 0.00 C ATOM 629 O MET A 61 4.927 24.515 -13.685 1.00 0.00 O ATOM 630 CB MET A 61 3.592 21.959 -11.972 1.00 0.00 C ATOM 631 CG MET A 61 2.343 22.814 -12.206 1.00 0.00 C ATOM 632 SD MET A 61 1.494 22.484 -13.779 1.00 0.00 S ATOM 633 CE MET A 61 1.386 24.175 -14.425 1.00 0.00 C ATOM 0 H MET A 61 5.590 20.581 -12.067 1.00 0.00 H new ATOM 0 HA MET A 61 4.256 22.171 -14.014 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.316 20.905 -11.995 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.986 22.163 -10.977 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.644 22.646 -11.387 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.626 23.866 -12.173 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.888 24.163 -15.394 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.816 24.794 -13.732 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.389 24.586 -14.538 1.00 0.00 H new ATOM 643 N VAL A 62 6.238 23.862 -11.981 1.00 0.00 N ATOM 644 CA VAL A 62 6.924 25.163 -11.818 1.00 0.00 C ATOM 645 C VAL A 62 8.000 25.412 -12.882 1.00 0.00 C ATOM 646 O VAL A 62 8.149 26.534 -13.364 1.00 0.00 O ATOM 647 CB VAL A 62 7.463 25.320 -10.380 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.667 24.448 -10.014 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.896 26.752 -10.097 1.00 0.00 C ATOM 0 H VAL A 62 6.558 23.148 -11.327 1.00 0.00 H new ATOM 0 HA VAL A 62 6.180 25.943 -11.980 1.00 0.00 H new ATOM 0 HB VAL A 62 6.610 25.002 -9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.957 24.643 -8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.401 23.397 -10.124 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.501 24.682 -10.676 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.270 26.824 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.685 27.038 -10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.044 27.421 -10.220 1.00 0.00 H new ATOM 659 N LYS A 63 8.712 24.355 -13.289 1.00 0.00 N ATOM 660 CA LYS A 63 9.719 24.360 -14.369 1.00 0.00 C ATOM 661 C LYS A 63 9.136 24.267 -15.793 1.00 0.00 C ATOM 662 O LYS A 63 9.891 24.450 -16.744 1.00 0.00 O ATOM 663 CB LYS A 63 10.747 23.237 -14.138 1.00 0.00 C ATOM 664 CG LYS A 63 11.575 23.372 -12.849 1.00 0.00 C ATOM 665 CD LYS A 63 12.381 24.674 -12.741 1.00 0.00 C ATOM 666 CE LYS A 63 13.377 24.587 -11.575 1.00 0.00 C ATOM 667 NZ LYS A 63 14.642 23.896 -11.969 1.00 0.00 N ATOM 0 H LYS A 63 8.602 23.435 -12.862 1.00 0.00 H new ATOM 0 HA LYS A 63 10.202 25.336 -14.317 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.222 22.282 -14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.428 23.207 -14.989 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.904 23.303 -11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.262 22.528 -12.784 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.916 24.857 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.706 25.516 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.608 25.591 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.916 24.053 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.405 24.172 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.504 22.866 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.898 24.168 -12.940 1.00 0.00 H new ATOM 681 N GLN A 64 7.832 23.989 -15.937 1.00 0.00 N ATOM 682 CA GLN A 64 7.054 23.676 -17.143 1.00 0.00 C ATOM 683 C GLN A 64 7.829 22.797 -18.131 1.00 0.00 C ATOM 684 O GLN A 64 8.121 23.193 -19.262 1.00 0.00 O ATOM 685 CB GLN A 64 6.345 24.906 -17.733 1.00 0.00 C ATOM 686 CG GLN A 64 7.302 26.067 -18.001 1.00 0.00 C ATOM 687 CD GLN A 64 7.268 27.141 -16.913 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.246 27.755 -16.627 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.378 27.419 -16.262 1.00 0.00 N ATOM 0 H GLN A 64 7.228 23.977 -15.115 1.00 0.00 H new ATOM 0 HA GLN A 64 6.222 23.039 -16.843 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.852 24.624 -18.664 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.565 25.235 -17.046 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.317 25.680 -18.088 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.051 26.522 -18.959 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.239 26.919 -16.485 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.377 28.134 -15.535 1.00 0.00 H new ATOM 698 N LEU A 65 8.164 21.580 -17.678 1.00 0.00 N ATOM 699 CA LEU A 65 8.941 20.609 -18.446 1.00 0.00 C ATOM 700 C LEU A 65 8.028 19.635 -19.200 1.00 0.00 C ATOM 701 O LEU A 65 8.365 18.467 -19.358 1.00 0.00 O ATOM 702 CB LEU A 65 10.028 19.917 -17.588 1.00 0.00 C ATOM 703 CG LEU A 65 11.105 20.833 -16.986 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.139 19.980 -16.252 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.833 21.686 -18.024 1.00 0.00 C ATOM 0 H LEU A 65 7.896 21.242 -16.753 1.00 0.00 H new ATOM 0 HA LEU A 65 9.494 21.153 -19.211 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.535 19.387 -16.773 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.523 19.166 -18.203 1.00 0.00 H new ATOM 0 HG LEU A 65 10.588 21.515 -16.311 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.905 20.626 -15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.649 19.420 -15.455 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.601 19.285 -16.953 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.578 22.307 -17.527 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.326 21.037 -18.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.115 22.324 -18.539 1.00 0.00 H new ATOM 717 N TYR A 66 6.850 20.094 -19.627 1.00 0.00 N ATOM 718 CA TYR A 66 5.891 19.297 -20.400 1.00 0.00 C ATOM 719 C TYR A 66 5.643 19.827 -21.824 1.00 0.00 C ATOM 720 O TYR A 66 5.941 20.982 -22.141 1.00 0.00 O ATOM 721 CB TYR A 66 4.577 19.123 -19.632 1.00 0.00 C ATOM 722 CG TYR A 66 4.002 20.421 -19.106 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.226 21.260 -19.924 1.00 0.00 C ATOM 724 CD2 TYR A 66 4.317 20.810 -17.797 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.815 22.520 -19.452 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.861 22.044 -17.295 1.00 0.00 C ATOM 727 CZ TYR A 66 3.122 22.913 -18.130 1.00 0.00 C ATOM 728 OH TYR A 66 2.724 24.127 -17.657 1.00 0.00 O ATOM 0 H TYR A 66 6.529 21.045 -19.443 1.00 0.00 H new ATOM 0 HA TYR A 66 6.353 18.318 -20.531 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.844 18.650 -20.286 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.743 18.444 -18.795 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.945 20.937 -20.916 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.912 20.161 -17.171 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.265 23.187 -20.100 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.075 22.326 -16.275 1.00 0.00 H new ATOM 0 HH TYR A 66 3.020 24.230 -16.729 1.00 0.00 H new ATOM 738 N ASP A 67 5.074 18.982 -22.690 1.00 0.00 N ATOM 739 CA ASP A 67 4.675 19.353 -24.054 1.00 0.00 C ATOM 740 C ASP A 67 3.444 20.272 -24.065 1.00 0.00 C ATOM 741 O ASP A 67 2.437 19.977 -23.424 1.00 0.00 O ATOM 742 CB ASP A 67 4.348 18.094 -24.870 1.00 0.00 C ATOM 743 CG ASP A 67 4.439 18.324 -26.391 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.029 19.411 -26.866 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.916 17.416 -27.112 1.00 0.00 O ATOM 0 H ASP A 67 4.875 18.008 -22.461 1.00 0.00 H new ATOM 0 HA ASP A 67 5.515 19.889 -24.495 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.034 17.296 -24.587 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.343 17.755 -24.618 1.00 0.00 H new ATOM 750 N GLN A 68 3.475 21.329 -24.879 1.00 0.00 N ATOM 751 CA GLN A 68 2.323 22.192 -25.178 1.00 0.00 C ATOM 752 C GLN A 68 1.092 21.394 -25.668 1.00 0.00 C ATOM 753 O GLN A 68 -0.045 21.740 -25.344 1.00 0.00 O ATOM 754 CB GLN A 68 2.662 23.239 -26.267 1.00 0.00 C ATOM 755 CG GLN A 68 4.139 23.569 -26.574 1.00 0.00 C ATOM 756 CD GLN A 68 4.598 23.086 -27.956 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.886 23.878 -28.844 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.680 21.797 -28.228 1.00 0.00 N ATOM 0 H GLN A 68 4.324 21.619 -25.364 1.00 0.00 H new ATOM 0 HA GLN A 68 2.084 22.684 -24.235 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.203 22.903 -27.197 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.171 24.171 -25.988 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.284 24.647 -26.508 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.771 23.115 -25.811 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.448 21.109 -27.512 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.976 21.489 -29.154 1.00 0.00 H new ATOM 767 N GLN A 69 1.319 20.337 -26.463 1.00 0.00 N ATOM 768 CA GLN A 69 0.263 19.514 -27.069 1.00 0.00 C ATOM 769 C GLN A 69 -0.347 18.500 -26.085 1.00 0.00 C ATOM 770 O GLN A 69 -1.527 18.161 -26.184 1.00 0.00 O ATOM 771 CB GLN A 69 0.829 18.769 -28.288 1.00 0.00 C ATOM 772 CG GLN A 69 1.433 19.672 -29.375 1.00 0.00 C ATOM 773 CD GLN A 69 0.508 20.808 -29.808 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.544 20.609 -30.403 1.00 0.00 O ATOM 775 NE2 GLN A 69 0.857 22.041 -29.502 1.00 0.00 N ATOM 0 H GLN A 69 2.259 20.025 -26.707 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.537 20.191 -27.369 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.596 18.073 -27.947 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.033 18.172 -28.733 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.367 20.096 -29.006 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.680 19.064 -30.245 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.731 22.215 -29.007 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.253 22.821 -29.760 1.00 0.00 H new ATOM 784 N GLU A 70 0.456 18.031 -25.127 1.00 0.00 N ATOM 785 CA GLU A 70 0.077 17.080 -24.070 1.00 0.00 C ATOM 786 C GLU A 70 0.824 17.418 -22.772 1.00 0.00 C ATOM 787 O GLU A 70 1.967 17.011 -22.564 1.00 0.00 O ATOM 788 CB GLU A 70 0.376 15.624 -24.479 1.00 0.00 C ATOM 789 CG GLU A 70 -0.625 15.031 -25.476 1.00 0.00 C ATOM 790 CD GLU A 70 -0.380 13.521 -25.670 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.734 12.719 -24.769 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.160 13.121 -26.731 1.00 0.00 O ATOM 0 H GLU A 70 1.434 18.315 -25.061 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.998 17.169 -23.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.374 15.579 -24.914 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.390 15.003 -23.583 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.641 15.195 -25.118 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.537 15.544 -26.434 1.00 0.00 H new ATOM 799 N GLN A 71 0.162 18.145 -21.869 1.00 0.00 N ATOM 800 CA GLN A 71 0.747 18.629 -20.606 1.00 0.00 C ATOM 801 C GLN A 71 1.198 17.502 -19.652 1.00 0.00 C ATOM 802 O GLN A 71 1.907 17.733 -18.673 1.00 0.00 O ATOM 803 CB GLN A 71 -0.296 19.483 -19.881 1.00 0.00 C ATOM 804 CG GLN A 71 -0.985 20.592 -20.696 1.00 0.00 C ATOM 805 CD GLN A 71 -0.128 21.781 -21.114 1.00 0.00 C ATOM 806 OE1 GLN A 71 -0.280 22.886 -20.610 1.00 0.00 O ATOM 807 NE2 GLN A 71 0.758 21.654 -22.077 1.00 0.00 N ATOM 0 H GLN A 71 -0.812 18.421 -21.992 1.00 0.00 H new ATOM 0 HA GLN A 71 1.639 19.197 -20.872 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.068 18.818 -19.495 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.186 19.946 -19.020 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.400 20.141 -21.597 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.825 20.969 -20.112 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.907 20.746 -22.516 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.296 22.464 -22.385 1.00 0.00 H new ATOM 816 N HIS A 72 0.765 16.275 -19.934 1.00 0.00 N ATOM 817 CA HIS A 72 1.055 15.031 -19.234 1.00 0.00 C ATOM 818 C HIS A 72 2.240 14.246 -19.828 1.00 0.00 C ATOM 819 O HIS A 72 2.656 13.243 -19.247 1.00 0.00 O ATOM 820 CB HIS A 72 -0.237 14.197 -19.169 1.00 0.00 C ATOM 821 CG HIS A 72 -1.114 14.157 -20.406 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.575 15.262 -21.132 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.711 13.036 -20.902 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.430 14.787 -22.045 1.00 0.00 C ATOM 825 NE2 HIS A 72 -2.527 13.450 -21.938 1.00 0.00 N ATOM 0 H HIS A 72 0.147 16.115 -20.730 1.00 0.00 H new ATOM 0 HA HIS A 72 1.385 15.273 -18.224 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.038 13.172 -18.920 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.839 14.576 -18.343 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.573 12.023 -20.554 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.965 15.390 -22.764 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.104 12.845 -22.522 1.00 0.00 H new ATOM 833 N MET A 73 2.795 14.693 -20.959 1.00 0.00 N ATOM 834 CA MET A 73 4.052 14.208 -21.542 1.00 0.00 C ATOM 835 C MET A 73 5.194 15.118 -21.077 1.00 0.00 C ATOM 836 O MET A 73 5.168 16.325 -21.325 1.00 0.00 O ATOM 837 CB MET A 73 3.980 14.202 -23.078 1.00 0.00 C ATOM 838 CG MET A 73 2.949 13.224 -23.651 1.00 0.00 C ATOM 839 SD MET A 73 3.209 11.465 -23.288 1.00 0.00 S ATOM 840 CE MET A 73 4.833 11.180 -24.047 1.00 0.00 C ATOM 0 H MET A 73 2.365 15.431 -21.516 1.00 0.00 H new ATOM 0 HA MET A 73 4.228 13.185 -21.210 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.742 15.208 -23.424 1.00 0.00 H new ATOM 0 HB3 MET A 73 4.963 13.952 -23.476 1.00 0.00 H new ATOM 0 HG2 MET A 73 1.965 13.507 -23.276 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.926 13.349 -24.734 1.00 0.00 H new ATOM 0 HE1 MET A 73 5.053 10.112 -24.046 1.00 0.00 H new ATOM 0 HE2 MET A 73 4.825 11.547 -25.073 1.00 0.00 H new ATOM 0 HE3 MET A 73 5.598 11.709 -23.479 1.00 0.00 H new ATOM 850 N VAL A 74 6.189 14.552 -20.393 1.00 0.00 N ATOM 851 CA VAL A 74 7.261 15.288 -19.702 1.00 0.00 C ATOM 852 C VAL A 74 8.590 15.123 -20.468 1.00 0.00 C ATOM 853 O VAL A 74 8.926 14.017 -20.900 1.00 0.00 O ATOM 854 CB VAL A 74 7.423 14.770 -18.259 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.319 15.720 -17.461 1.00 0.00 C ATOM 856 CG2 VAL A 74 6.085 14.666 -17.506 1.00 0.00 C ATOM 0 H VAL A 74 6.279 13.540 -20.299 1.00 0.00 H new ATOM 0 HA VAL A 74 6.994 16.344 -19.669 1.00 0.00 H new ATOM 0 HB VAL A 74 7.859 13.774 -18.343 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.429 15.347 -16.443 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.299 15.778 -17.934 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.868 16.712 -17.438 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.263 14.296 -16.496 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.619 15.650 -17.455 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.424 13.978 -18.033 1.00 0.00 H new ATOM 866 N TYR A 75 9.363 16.203 -20.603 1.00 0.00 N ATOM 867 CA TYR A 75 10.622 16.297 -21.354 1.00 0.00 C ATOM 868 C TYR A 75 11.712 17.001 -20.520 1.00 0.00 C ATOM 869 O TYR A 75 11.671 18.214 -20.309 1.00 0.00 O ATOM 870 CB TYR A 75 10.351 17.018 -22.681 1.00 0.00 C ATOM 871 CG TYR A 75 9.561 16.134 -23.622 1.00 0.00 C ATOM 872 CD1 TYR A 75 10.220 15.063 -24.251 1.00 0.00 C ATOM 873 CD2 TYR A 75 8.168 16.292 -23.767 1.00 0.00 C ATOM 874 CE1 TYR A 75 9.490 14.126 -25.000 1.00 0.00 C ATOM 875 CE2 TYR A 75 7.438 15.365 -24.535 1.00 0.00 C ATOM 876 CZ TYR A 75 8.092 14.272 -25.145 1.00 0.00 C ATOM 877 OH TYR A 75 7.368 13.363 -25.857 1.00 0.00 O ATOM 0 H TYR A 75 9.114 17.090 -20.165 1.00 0.00 H new ATOM 0 HA TYR A 75 11.001 15.298 -21.571 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.801 17.940 -22.493 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.296 17.300 -23.146 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.291 14.961 -24.158 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.663 17.120 -23.291 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.997 13.294 -25.465 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.372 15.490 -24.658 1.00 0.00 H new ATOM 0 HH TYR A 75 6.423 13.621 -25.851 1.00 0.00 H new ATOM 887 N CYS A 76 12.695 16.225 -20.054 1.00 0.00 N ATOM 888 CA CYS A 76 13.726 16.596 -19.074 1.00 0.00 C ATOM 889 C CYS A 76 15.171 16.543 -19.610 1.00 0.00 C ATOM 890 O CYS A 76 16.112 16.465 -18.819 1.00 0.00 O ATOM 891 CB CYS A 76 13.580 15.699 -17.834 1.00 0.00 C ATOM 892 SG CYS A 76 11.908 15.787 -17.145 1.00 0.00 S ATOM 0 H CYS A 76 12.801 15.261 -20.369 1.00 0.00 H new ATOM 0 HA CYS A 76 13.557 17.643 -18.824 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.811 14.668 -18.100 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.303 16.002 -17.077 1.00 0.00 H new ATOM 0 HG CYS A 76 11.827 15.014 -16.103 1.00 0.00 H new ATOM 898 N GLY A 77 15.372 16.519 -20.932 1.00 0.00 N ATOM 899 CA GLY A 77 16.704 16.393 -21.542 1.00 0.00 C ATOM 900 C GLY A 77 17.691 17.475 -21.071 1.00 0.00 C ATOM 901 O GLY A 77 17.558 18.648 -21.430 1.00 0.00 O ATOM 0 H GLY A 77 14.615 16.586 -21.612 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.113 15.410 -21.307 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.607 16.446 -22.626 1.00 0.00 H new ATOM 905 N GLY A 78 18.685 17.072 -20.270 1.00 0.00 N ATOM 906 CA GLY A 78 19.717 17.943 -19.689 1.00 0.00 C ATOM 907 C GLY A 78 19.364 18.613 -18.347 1.00 0.00 C ATOM 908 O GLY A 78 20.200 19.336 -17.801 1.00 0.00 O ATOM 0 H GLY A 78 18.798 16.095 -19.998 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.624 17.354 -19.550 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.952 18.725 -20.411 1.00 0.00 H new ATOM 912 N ASP A 79 18.167 18.394 -17.789 1.00 0.00 N ATOM 913 CA ASP A 79 17.731 18.927 -16.501 1.00 0.00 C ATOM 914 C ASP A 79 18.164 18.047 -15.309 1.00 0.00 C ATOM 915 O ASP A 79 18.426 16.851 -15.466 1.00 0.00 O ATOM 916 CB ASP A 79 16.208 19.064 -16.563 1.00 0.00 C ATOM 917 CG ASP A 79 15.773 20.184 -17.525 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.973 21.376 -17.185 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.232 19.877 -18.614 1.00 0.00 O ATOM 0 H ASP A 79 17.454 17.821 -18.241 1.00 0.00 H new ATOM 0 HA ASP A 79 18.206 19.893 -16.329 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.771 18.119 -16.885 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.821 19.271 -15.565 1.00 0.00 H new ATOM 924 N LEU A 80 18.166 18.604 -14.088 1.00 0.00 N ATOM 925 CA LEU A 80 18.473 17.852 -12.858 1.00 0.00 C ATOM 926 C LEU A 80 17.491 16.691 -12.666 1.00 0.00 C ATOM 927 O LEU A 80 17.893 15.561 -12.407 1.00 0.00 O ATOM 928 CB LEU A 80 18.410 18.794 -11.639 1.00 0.00 C ATOM 929 CG LEU A 80 19.535 18.569 -10.608 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.893 19.026 -11.148 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.241 19.405 -9.360 1.00 0.00 C ATOM 0 H LEU A 80 17.955 19.588 -13.924 1.00 0.00 H new ATOM 0 HA LEU A 80 19.478 17.441 -12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.454 19.826 -11.988 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.448 18.665 -11.144 1.00 0.00 H new ATOM 0 HG LEU A 80 19.572 17.502 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.661 18.852 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.135 18.463 -12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.851 20.089 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.031 19.252 -8.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.196 20.460 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.286 19.099 -8.934 1.00 0.00 H new ATOM 943 N LEU A 81 16.195 16.964 -12.866 1.00 0.00 N ATOM 944 CA LEU A 81 15.148 15.943 -12.906 1.00 0.00 C ATOM 945 C LEU A 81 15.445 14.822 -13.931 1.00 0.00 C ATOM 946 O LEU A 81 15.238 13.643 -13.647 1.00 0.00 O ATOM 947 CB LEU A 81 13.805 16.649 -13.186 1.00 0.00 C ATOM 948 CG LEU A 81 12.597 15.712 -13.379 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.222 14.963 -12.105 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.369 16.517 -13.775 1.00 0.00 C ATOM 0 H LEU A 81 15.844 17.911 -13.006 1.00 0.00 H new ATOM 0 HA LEU A 81 15.104 15.434 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.590 17.326 -12.360 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.915 17.262 -14.080 1.00 0.00 H new ATOM 0 HG LEU A 81 12.894 15.001 -14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.365 14.319 -12.301 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.066 14.355 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.967 15.679 -11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.521 15.845 -13.909 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.139 17.239 -12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.565 17.044 -14.709 1.00 0.00 H new ATOM 962 N GLY A 82 15.977 15.177 -15.104 1.00 0.00 N ATOM 963 CA GLY A 82 16.397 14.217 -16.133 1.00 0.00 C ATOM 964 C GLY A 82 17.601 13.372 -15.706 1.00 0.00 C ATOM 965 O GLY A 82 17.628 12.171 -15.968 1.00 0.00 O ATOM 0 H GLY A 82 16.131 16.150 -15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.562 13.557 -16.369 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.645 14.757 -17.047 1.00 0.00 H new ATOM 969 N GLU A 83 18.554 13.952 -14.969 1.00 0.00 N ATOM 970 CA GLU A 83 19.675 13.219 -14.368 1.00 0.00 C ATOM 971 C GLU A 83 19.196 12.264 -13.255 1.00 0.00 C ATOM 972 O GLU A 83 19.683 11.134 -13.163 1.00 0.00 O ATOM 973 CB GLU A 83 20.772 14.214 -13.924 1.00 0.00 C ATOM 974 CG GLU A 83 21.181 14.129 -12.447 1.00 0.00 C ATOM 975 CD GLU A 83 22.372 15.053 -12.115 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.434 14.955 -12.779 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.275 15.856 -11.157 1.00 0.00 O ATOM 0 H GLU A 83 18.570 14.952 -14.771 1.00 0.00 H new ATOM 0 HA GLU A 83 20.129 12.567 -15.114 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.657 14.050 -14.538 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.425 15.227 -14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.330 14.397 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.444 13.100 -12.204 1.00 0.00 H new ATOM 984 N LEU A 84 18.199 12.675 -12.458 1.00 0.00 N ATOM 985 CA LEU A 84 17.524 11.825 -11.478 1.00 0.00 C ATOM 986 C LEU A 84 16.843 10.623 -12.146 1.00 0.00 C ATOM 987 O LEU A 84 16.951 9.501 -11.656 1.00 0.00 O ATOM 988 CB LEU A 84 16.573 12.721 -10.655 1.00 0.00 C ATOM 989 CG LEU A 84 15.424 12.041 -9.880 1.00 0.00 C ATOM 990 CD1 LEU A 84 14.933 12.990 -8.795 1.00 0.00 C ATOM 991 CD2 LEU A 84 14.207 11.729 -10.746 1.00 0.00 C ATOM 0 H LEU A 84 17.835 13.628 -12.480 1.00 0.00 H new ATOM 0 HA LEU A 84 18.240 11.372 -10.792 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.176 13.277 -9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.132 13.451 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 84 15.832 11.108 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.121 12.520 -8.241 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.752 13.219 -8.114 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.574 13.912 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.439 11.252 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.813 12.654 -11.167 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.498 11.057 -11.554 1.00 0.00 H new ATOM 1003 N LEU A 85 16.177 10.844 -13.281 1.00 0.00 N ATOM 1004 CA LEU A 85 15.491 9.789 -14.036 1.00 0.00 C ATOM 1005 C LEU A 85 16.448 8.837 -14.767 1.00 0.00 C ATOM 1006 O LEU A 85 16.204 7.631 -14.778 1.00 0.00 O ATOM 1007 CB LEU A 85 14.498 10.448 -15.014 1.00 0.00 C ATOM 1008 CG LEU A 85 13.218 10.914 -14.304 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.539 12.000 -15.117 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.223 9.766 -14.106 1.00 0.00 C ATOM 0 H LEU A 85 16.097 11.767 -13.707 1.00 0.00 H new ATOM 0 HA LEU A 85 14.957 9.160 -13.324 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.976 11.300 -15.497 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.239 9.739 -15.801 1.00 0.00 H new ATOM 0 HG LEU A 85 13.515 11.293 -13.326 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.632 12.324 -14.606 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.215 12.847 -15.229 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.281 11.610 -16.101 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.332 10.139 -13.600 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.944 9.355 -15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.684 8.986 -13.500 1.00 0.00 H new ATOM 1022 N GLY A 86 17.501 9.365 -15.397 1.00 0.00 N ATOM 1023 CA GLY A 86 18.381 8.631 -16.321 1.00 0.00 C ATOM 1024 C GLY A 86 17.834 8.536 -17.760 1.00 0.00 C ATOM 1025 O GLY A 86 18.413 7.843 -18.600 1.00 0.00 O ATOM 0 H GLY A 86 17.775 10.340 -15.278 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.355 9.119 -16.344 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.538 7.624 -15.935 1.00 0.00 H new ATOM 1029 N ARG A 87 16.711 9.218 -18.039 1.00 0.00 N ATOM 1030 CA ARG A 87 16.003 9.309 -19.328 1.00 0.00 C ATOM 1031 C ARG A 87 15.408 10.705 -19.510 1.00 0.00 C ATOM 1032 O ARG A 87 14.930 11.318 -18.558 1.00 0.00 O ATOM 1033 CB ARG A 87 14.961 8.176 -19.502 1.00 0.00 C ATOM 1034 CG ARG A 87 13.894 8.005 -18.403 1.00 0.00 C ATOM 1035 CD ARG A 87 14.384 7.163 -17.216 1.00 0.00 C ATOM 1036 NE ARG A 87 14.306 5.707 -17.445 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.605 4.776 -16.552 1.00 0.00 C ATOM 1038 NH1 ARG A 87 15.096 5.044 -15.380 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.413 3.515 -16.787 1.00 0.00 N ATOM 0 H ARG A 87 16.239 9.761 -17.316 1.00 0.00 H new ATOM 0 HA ARG A 87 16.727 9.159 -20.129 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.444 8.339 -20.448 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.502 7.234 -19.592 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.590 8.988 -18.043 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.009 7.536 -18.833 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.417 7.431 -16.994 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.793 7.415 -16.335 1.00 0.00 H new ATOM 0 HE ARG A 87 13.997 5.393 -18.365 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.269 6.012 -15.109 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.308 4.287 -14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.021 3.217 -17.680 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.654 2.822 -16.079 1.00 0.00 H new ATOM 1053 N GLN A 88 15.434 11.189 -20.750 1.00 0.00 N ATOM 1054 CA GLN A 88 14.974 12.533 -21.128 1.00 0.00 C ATOM 1055 C GLN A 88 13.454 12.681 -21.198 1.00 0.00 C ATOM 1056 O GLN A 88 12.962 13.798 -21.312 1.00 0.00 O ATOM 1057 CB GLN A 88 15.609 12.928 -22.467 1.00 0.00 C ATOM 1058 CG GLN A 88 15.173 12.097 -23.688 1.00 0.00 C ATOM 1059 CD GLN A 88 15.735 12.676 -24.987 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.721 12.205 -25.539 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.140 13.727 -25.519 1.00 0.00 N ATOM 0 H GLN A 88 15.783 10.649 -21.542 1.00 0.00 H new ATOM 0 HA GLN A 88 15.295 13.206 -20.333 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.377 13.975 -22.662 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.692 12.854 -22.369 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.513 11.068 -23.570 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.085 12.069 -23.741 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.318 14.129 -25.069 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.503 14.137 -26.380 1.00 0.00 H new ATOM 1070 N SER A 89 12.706 11.582 -21.173 1.00 0.00 N ATOM 1071 CA SER A 89 11.230 11.636 -21.210 1.00 0.00 C ATOM 1072 C SER A 89 10.496 10.456 -20.567 1.00 0.00 C ATOM 1073 O SER A 89 11.028 9.352 -20.422 1.00 0.00 O ATOM 1074 CB SER A 89 10.732 11.816 -22.653 1.00 0.00 C ATOM 1075 OG SER A 89 11.035 10.691 -23.468 1.00 0.00 O ATOM 0 H SER A 89 13.089 10.638 -21.127 1.00 0.00 H new ATOM 0 HA SER A 89 10.985 12.500 -20.592 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.654 11.978 -22.646 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.186 12.708 -23.084 1.00 0.00 H new ATOM 0 HG SER A 89 10.700 10.845 -24.376 1.00 0.00 H new ATOM 1081 N PHE A 90 9.254 10.741 -20.168 1.00 0.00 N ATOM 1082 CA PHE A 90 8.247 9.853 -19.575 1.00 0.00 C ATOM 1083 C PHE A 90 6.877 10.571 -19.620 1.00 0.00 C ATOM 1084 O PHE A 90 6.771 11.695 -20.121 1.00 0.00 O ATOM 1085 CB PHE A 90 8.642 9.506 -18.128 1.00 0.00 C ATOM 1086 CG PHE A 90 8.619 10.664 -17.153 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.653 11.618 -17.165 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.568 10.783 -16.227 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.636 12.685 -16.254 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.563 11.839 -15.302 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.611 12.778 -15.295 1.00 0.00 C ATOM 0 H PHE A 90 8.892 11.690 -20.260 1.00 0.00 H new ATOM 0 HA PHE A 90 8.184 8.920 -20.135 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.969 8.731 -17.761 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.645 9.079 -18.136 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.461 11.529 -17.876 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.764 10.062 -16.227 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.411 13.436 -16.289 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.753 11.931 -14.594 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.628 13.566 -14.557 1.00 0.00 H new ATOM 1101 N SER A 91 5.818 9.964 -19.082 1.00 0.00 N ATOM 1102 CA SER A 91 4.501 10.593 -18.946 1.00 0.00 C ATOM 1103 C SER A 91 3.817 10.231 -17.628 1.00 0.00 C ATOM 1104 O SER A 91 4.206 9.277 -16.951 1.00 0.00 O ATOM 1105 CB SER A 91 3.626 10.152 -20.116 1.00 0.00 C ATOM 1106 OG SER A 91 3.210 8.810 -19.931 1.00 0.00 O ATOM 0 H SER A 91 5.850 9.010 -18.724 1.00 0.00 H new ATOM 0 HA SER A 91 4.640 11.674 -18.949 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.756 10.803 -20.196 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.180 10.244 -21.050 1.00 0.00 H new ATOM 0 HG SER A 91 2.932 8.432 -20.791 1.00 0.00 H new ATOM 1112 N VAL A 92 2.728 10.929 -17.287 1.00 0.00 N ATOM 1113 CA VAL A 92 1.861 10.537 -16.172 1.00 0.00 C ATOM 1114 C VAL A 92 1.093 9.228 -16.450 1.00 0.00 C ATOM 1115 O VAL A 92 0.558 8.618 -15.522 1.00 0.00 O ATOM 1116 CB VAL A 92 0.922 11.688 -15.774 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.615 13.058 -15.774 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.370 11.724 -16.597 1.00 0.00 C ATOM 0 H VAL A 92 2.425 11.774 -17.772 1.00 0.00 H new ATOM 0 HA VAL A 92 2.507 10.328 -15.319 1.00 0.00 H new ATOM 0 HB VAL A 92 0.639 11.471 -14.744 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.899 13.828 -15.485 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.443 13.047 -15.065 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.996 13.273 -16.772 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.988 12.559 -16.267 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.126 11.848 -17.652 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.916 10.791 -16.458 1.00 0.00 H new ATOM 1128 N LYS A 93 1.056 8.779 -17.720 1.00 0.00 N ATOM 1129 CA LYS A 93 0.492 7.487 -18.149 1.00 0.00 C ATOM 1130 C LYS A 93 1.437 6.315 -17.829 1.00 0.00 C ATOM 1131 O LYS A 93 0.979 5.187 -17.645 1.00 0.00 O ATOM 1132 CB LYS A 93 0.190 7.481 -19.666 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.436 8.754 -20.272 1.00 0.00 C ATOM 1134 CD LYS A 93 -0.770 8.508 -21.758 1.00 0.00 C ATOM 1135 CE LYS A 93 -1.308 9.736 -22.516 1.00 0.00 C ATOM 1136 NZ LYS A 93 -0.232 10.681 -22.936 1.00 0.00 N ATOM 0 H LYS A 93 1.429 9.323 -18.498 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.436 7.358 -17.591 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.122 7.280 -20.194 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.479 6.646 -19.873 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.340 9.023 -19.725 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.255 9.592 -20.178 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.128 8.153 -22.263 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.508 7.709 -21.821 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.854 9.401 -23.398 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.020 10.264 -21.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.621 11.373 -23.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.138 11.179 -22.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.538 10.150 -23.392 1.00 0.00 H new ATOM 1150 N ASP A 94 2.745 6.582 -17.778 1.00 0.00 N ATOM 1151 CA ASP A 94 3.825 5.594 -17.681 1.00 0.00 C ATOM 1152 C ASP A 94 4.795 5.905 -16.511 1.00 0.00 C ATOM 1153 O ASP A 94 5.822 6.559 -16.718 1.00 0.00 O ATOM 1154 CB ASP A 94 4.543 5.541 -19.041 1.00 0.00 C ATOM 1155 CG ASP A 94 5.689 4.513 -19.069 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.568 3.447 -18.419 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.696 4.749 -19.780 1.00 0.00 O ATOM 0 H ASP A 94 3.097 7.539 -17.804 1.00 0.00 H new ATOM 0 HA ASP A 94 3.409 4.613 -17.452 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.821 5.295 -19.819 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.940 6.528 -19.276 1.00 0.00 H new ATOM 1162 N PRO A 95 4.492 5.450 -15.275 1.00 0.00 N ATOM 1163 CA PRO A 95 5.302 5.713 -14.079 1.00 0.00 C ATOM 1164 C PRO A 95 6.539 4.807 -13.930 1.00 0.00 C ATOM 1165 O PRO A 95 7.372 5.055 -13.059 1.00 0.00 O ATOM 1166 CB PRO A 95 4.332 5.534 -12.911 1.00 0.00 C ATOM 1167 CG PRO A 95 3.396 4.436 -13.411 1.00 0.00 C ATOM 1168 CD PRO A 95 3.261 4.764 -14.898 1.00 0.00 C ATOM 0 HA PRO A 95 5.735 6.712 -14.131 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.849 5.239 -11.998 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.793 6.455 -12.689 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.815 3.442 -13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.433 4.461 -12.901 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.125 3.857 -15.486 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.392 5.396 -15.080 1.00 0.00 H new ATOM 1176 N SER A 96 6.706 3.776 -14.765 1.00 0.00 N ATOM 1177 CA SER A 96 7.835 2.832 -14.705 1.00 0.00 C ATOM 1178 C SER A 96 9.234 3.478 -14.605 1.00 0.00 C ATOM 1179 O SER A 96 9.976 3.069 -13.711 1.00 0.00 O ATOM 1180 CB SER A 96 7.784 1.860 -15.890 1.00 0.00 C ATOM 1181 OG SER A 96 6.583 1.099 -15.843 1.00 0.00 O ATOM 0 H SER A 96 6.049 3.567 -15.517 1.00 0.00 H new ATOM 0 HA SER A 96 7.702 2.298 -13.764 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.837 2.413 -16.828 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.647 1.195 -15.863 1.00 0.00 H new ATOM 0 HG SER A 96 6.557 0.482 -16.604 1.00 0.00 H new ATOM 1187 N PRO A 97 9.629 4.497 -15.407 1.00 0.00 N ATOM 1188 CA PRO A 97 10.944 5.145 -15.265 1.00 0.00 C ATOM 1189 C PRO A 97 11.142 5.902 -13.936 1.00 0.00 C ATOM 1190 O PRO A 97 12.270 6.021 -13.459 1.00 0.00 O ATOM 1191 CB PRO A 97 11.060 6.089 -16.469 1.00 0.00 C ATOM 1192 CG PRO A 97 9.616 6.379 -16.858 1.00 0.00 C ATOM 1193 CD PRO A 97 8.932 5.053 -16.566 1.00 0.00 C ATOM 0 HA PRO A 97 11.727 4.387 -15.243 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.593 7.003 -16.208 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.607 5.623 -17.289 1.00 0.00 H new ATOM 0 HG2 PRO A 97 9.192 7.194 -16.271 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.526 6.661 -17.907 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.873 5.197 -16.354 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.998 4.381 -17.422 1.00 0.00 H new ATOM 1201 N LEU A 98 10.061 6.384 -13.312 1.00 0.00 N ATOM 1202 CA LEU A 98 10.078 7.008 -11.983 1.00 0.00 C ATOM 1203 C LEU A 98 10.282 5.933 -10.902 1.00 0.00 C ATOM 1204 O LEU A 98 11.211 5.998 -10.092 1.00 0.00 O ATOM 1205 CB LEU A 98 8.770 7.820 -11.846 1.00 0.00 C ATOM 1206 CG LEU A 98 8.534 8.580 -10.530 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.514 9.686 -10.797 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.971 7.731 -9.396 1.00 0.00 C ATOM 0 H LEU A 98 9.129 6.351 -13.726 1.00 0.00 H new ATOM 0 HA LEU A 98 10.913 7.697 -11.852 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.737 8.543 -12.661 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.934 7.136 -11.993 1.00 0.00 H new ATOM 0 HG LEU A 98 9.512 8.942 -10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.329 10.241 -9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.903 10.364 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.581 9.244 -11.148 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.838 8.351 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.009 7.315 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.663 6.919 -9.171 1.00 0.00 H new ATOM 1220 N TYR A 99 9.458 4.887 -10.931 1.00 0.00 N ATOM 1221 CA TYR A 99 9.564 3.774 -9.991 1.00 0.00 C ATOM 1222 C TYR A 99 10.961 3.139 -10.046 1.00 0.00 C ATOM 1223 O TYR A 99 11.623 3.034 -9.019 1.00 0.00 O ATOM 1224 CB TYR A 99 8.436 2.774 -10.289 1.00 0.00 C ATOM 1225 CG TYR A 99 7.001 3.263 -10.099 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.691 4.446 -9.390 1.00 0.00 C ATOM 1227 CD2 TYR A 99 5.951 2.476 -10.615 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.349 4.807 -9.158 1.00 0.00 C ATOM 1229 CE2 TYR A 99 4.607 2.832 -10.384 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.302 3.995 -9.643 1.00 0.00 C ATOM 1231 OH TYR A 99 3.007 4.353 -9.412 1.00 0.00 O ATOM 0 H TYR A 99 8.700 4.788 -11.606 1.00 0.00 H new ATOM 0 HA TYR A 99 9.443 4.128 -8.967 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.545 2.439 -11.321 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.582 1.901 -9.653 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.488 5.077 -9.024 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.179 1.592 -11.193 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.121 5.708 -8.607 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.810 2.216 -10.774 1.00 0.00 H new ATOM 0 HH TYR A 99 2.408 3.689 -9.812 1.00 0.00 H new ATOM 1241 N ASP A 100 11.474 2.854 -11.243 1.00 0.00 N ATOM 1242 CA ASP A 100 12.832 2.354 -11.499 1.00 0.00 C ATOM 1243 C ASP A 100 13.939 3.227 -10.907 1.00 0.00 C ATOM 1244 O ASP A 100 14.874 2.719 -10.290 1.00 0.00 O ATOM 1245 CB ASP A 100 13.002 2.309 -13.007 1.00 0.00 C ATOM 1246 CG ASP A 100 14.359 1.763 -13.474 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.703 0.605 -13.139 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.061 2.492 -14.219 1.00 0.00 O ATOM 0 H ASP A 100 10.934 2.969 -12.100 1.00 0.00 H new ATOM 0 HA ASP A 100 12.929 1.379 -11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.210 1.693 -13.432 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.872 3.315 -13.406 1.00 0.00 H new ATOM 1253 N MET A 101 13.818 4.547 -11.050 1.00 0.00 N ATOM 1254 CA MET A 101 14.776 5.482 -10.438 1.00 0.00 C ATOM 1255 C MET A 101 14.665 5.557 -8.909 1.00 0.00 C ATOM 1256 O MET A 101 15.674 5.807 -8.251 1.00 0.00 O ATOM 1257 CB MET A 101 14.902 6.830 -11.155 1.00 0.00 C ATOM 1258 CG MET A 101 13.821 7.847 -10.830 1.00 0.00 C ATOM 1259 SD MET A 101 13.850 8.595 -9.177 1.00 0.00 S ATOM 1260 CE MET A 101 12.156 9.226 -9.122 1.00 0.00 C ATOM 0 H MET A 101 13.072 4.996 -11.581 1.00 0.00 H new ATOM 0 HA MET A 101 15.755 5.034 -10.610 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.871 7.264 -10.908 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.897 6.652 -12.230 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.882 8.650 -11.564 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.853 7.365 -10.965 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.017 9.816 -8.216 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.973 9.853 -9.995 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.456 8.390 -9.122 1.00 0.00 H new ATOM 1270 N LEU A 102 13.484 5.322 -8.318 1.00 0.00 N ATOM 1271 CA LEU A 102 13.360 5.178 -6.874 1.00 0.00 C ATOM 1272 C LEU A 102 14.036 3.876 -6.444 1.00 0.00 C ATOM 1273 O LEU A 102 14.866 3.931 -5.547 1.00 0.00 O ATOM 1274 CB LEU A 102 11.885 5.220 -6.416 1.00 0.00 C ATOM 1275 CG LEU A 102 11.123 6.529 -6.695 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.666 6.371 -6.266 1.00 0.00 C ATOM 1277 CD2 LEU A 102 11.689 7.724 -5.931 1.00 0.00 C ATOM 0 H LEU A 102 12.604 5.229 -8.826 1.00 0.00 H new ATOM 0 HA LEU A 102 13.856 6.021 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.352 4.403 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.854 5.027 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 102 11.222 6.719 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.126 7.297 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.208 5.557 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.623 6.146 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.110 8.616 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.633 7.531 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.729 7.880 -6.218 1.00 0.00 H new ATOM 1289 N ARG A 103 13.805 2.747 -7.137 1.00 0.00 N ATOM 1290 CA ARG A 103 14.202 1.393 -6.707 1.00 0.00 C ATOM 1291 C ARG A 103 15.639 1.281 -6.180 1.00 0.00 C ATOM 1292 O ARG A 103 15.873 0.703 -5.118 1.00 0.00 O ATOM 1293 CB ARG A 103 14.015 0.400 -7.872 1.00 0.00 C ATOM 1294 CG ARG A 103 12.566 -0.009 -8.180 1.00 0.00 C ATOM 1295 CD ARG A 103 12.531 -1.325 -8.959 1.00 0.00 C ATOM 1296 NE ARG A 103 11.143 -1.742 -9.248 1.00 0.00 N ATOM 1297 CZ ARG A 103 10.763 -2.849 -9.864 1.00 0.00 C ATOM 1298 NH1 ARG A 103 11.620 -3.720 -10.318 1.00 0.00 N ATOM 1299 NH2 ARG A 103 9.498 -3.107 -10.037 1.00 0.00 N ATOM 0 H ARG A 103 13.324 2.750 -8.036 1.00 0.00 H new ATOM 0 HA ARG A 103 13.550 1.153 -5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.447 0.839 -8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.587 -0.501 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.007 -0.116 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.076 0.775 -8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.081 -1.212 -9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.035 -2.103 -8.385 1.00 0.00 H new ATOM 0 HE ARG A 103 10.402 -1.112 -8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.621 -3.559 -10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.290 -4.563 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.793 -2.453 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 103 9.212 -3.963 -10.513 1.00 0.00 H new ATOM 1313 N LYS A 104 16.586 1.858 -6.926 1.00 0.00 N ATOM 1314 CA LYS A 104 18.025 1.920 -6.617 1.00 0.00 C ATOM 1315 C LYS A 104 18.463 3.123 -5.771 1.00 0.00 C ATOM 1316 O LYS A 104 19.535 3.070 -5.170 1.00 0.00 O ATOM 1317 CB LYS A 104 18.878 1.763 -7.897 1.00 0.00 C ATOM 1318 CG LYS A 104 18.267 2.191 -9.241 1.00 0.00 C ATOM 1319 CD LYS A 104 17.739 3.629 -9.341 1.00 0.00 C ATOM 1320 CE LYS A 104 18.654 4.831 -9.074 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.863 4.841 -9.954 1.00 0.00 N ATOM 0 H LYS A 104 16.362 2.319 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 104 18.212 1.065 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.797 2.331 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.161 0.714 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.022 2.053 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.446 1.512 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.338 3.752 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.899 3.709 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.091 5.752 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.969 4.818 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.447 5.673 -9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.417 3.976 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.567 4.881 -10.950 1.00 0.00 H new ATOM 1335 N ASN A 105 17.674 4.202 -5.713 1.00 0.00 N ATOM 1336 CA ASN A 105 17.990 5.377 -4.901 1.00 0.00 C ATOM 1337 C ASN A 105 17.481 5.246 -3.459 1.00 0.00 C ATOM 1338 O ASN A 105 18.238 5.472 -2.514 1.00 0.00 O ATOM 1339 CB ASN A 105 17.421 6.610 -5.605 1.00 0.00 C ATOM 1340 CG ASN A 105 18.177 7.809 -5.112 1.00 0.00 C ATOM 1341 OD1 ASN A 105 17.720 8.581 -4.291 1.00 0.00 O ATOM 1342 ND2 ASN A 105 19.407 7.934 -5.551 1.00 0.00 N ATOM 0 H ASN A 105 16.798 4.283 -6.229 1.00 0.00 H new ATOM 0 HA ASN A 105 19.072 5.474 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.521 6.513 -6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.357 6.715 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.998 8.689 -5.203 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.772 7.276 -6.240 1.00 0.00 H new ATOM 1349 N LEU A 106 16.211 4.858 -3.301 1.00 0.00 N ATOM 1350 CA LEU A 106 15.594 4.541 -2.011 1.00 0.00 C ATOM 1351 C LEU A 106 14.504 3.453 -2.070 1.00 0.00 C ATOM 1352 O LEU A 106 13.674 3.426 -2.977 1.00 0.00 O ATOM 1353 CB LEU A 106 15.078 5.832 -1.356 1.00 0.00 C ATOM 1354 CG LEU A 106 13.840 6.534 -1.956 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.310 7.558 -0.952 1.00 0.00 C ATOM 1356 CD2 LEU A 106 14.159 7.275 -3.255 1.00 0.00 C ATOM 0 H LEU A 106 15.569 4.754 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 106 16.375 4.101 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.854 5.605 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.897 6.551 -1.357 1.00 0.00 H new ATOM 0 HG LEU A 106 13.105 5.759 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.436 8.058 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.032 7.051 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.084 8.296 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.254 7.750 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.916 8.036 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.535 6.568 -3.995 1.00 0.00 H new