USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 69 GLN : amide:sc= 0.623 K(o=1.3,f=-1.4) USER MOD Set 1.2: A 107 TYR OH : rot 135:sc= 0.641 USER MOD Set 2.1: A 82 CYS SG : rot -179:sc= -0.527 USER MOD Set 2.2: A 86 ASN : amide:sc= 0.0361 K(o=-0.49,f=-2.1) USER MOD Set 3.1: A 83 TYR OH : rot -166:sc= -0.211 USER MOD Set 3.2: A 100 GLN : amide:sc= 0.176 K(o=-0.035,f=-1.1) USER MOD Set 4.1: A 59 LYS NZ :NH3+ 168:sc= 1.83 (180deg=1.19) USER MOD Set 4.2: A 65 TYR OH : rot -105:sc= 0.19 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -1.36 K(o=-1.3,f=-3.6!) USER MOD Set 5.2: A 25 TYR OH : rot -24:sc= 0.0441 USER MOD Set 6.1: A 10 CYS SG : rot -21:sc= -2.82! USER MOD Set 6.2: A 60 MET CE :methyl -152:sc= -2.99 (180deg=-0.952) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0453 (180deg=-0.298) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0477) USER MOD Single : A 9 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=-0.15) USER MOD Single : A 11 ASN : amide:sc= 0.101 X(o=0.1,f=-0.067) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 28:sc= 0.53 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc=-0.00293 (180deg=-0.0846) USER MOD Single : A 30 TYR OH : rot -133:sc= -0.0803 USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0811 (180deg=-0.419) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.00049) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 160:sc= -0.117 (180deg=-0.919) USER MOD Single : A 54 SER OG : rot 81:sc= 1.36 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 78 MET CE :methyl -140:sc= -0.958 (180deg=-3.4!) USER MOD Single : A 80 SER OG : rot 67:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -3.85! C(o=-3.9!,f=-3.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -105:sc= 0.182 USER MOD Single : A 90 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-2) USER MOD Single : A 95 MET CE :methyl -108:sc= -0.555 (180deg=-2.17!) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc=-0.00992 (180deg=-0.137) USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= -0.0102 (180deg=-0.119) USER MOD Single : A 110 MET CE :methyl 155:sc= -1.61 (180deg=-3.12!) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 282 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 288 GLN : amide:sc= -0.919 K(o=-0.92,f=-6.1!) USER MOD Single : B 291 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.86) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.587 12.490 -5.225 1.00 0.00 N ATOM 2 CA GLY A 1 20.665 11.556 -4.079 1.00 0.00 C ATOM 3 C GLY A 1 20.764 10.114 -4.524 1.00 0.00 C ATOM 4 O GLY A 1 19.976 9.657 -5.351 1.00 0.00 O ATOM 0 H1 GLY A 1 20.520 13.466 -4.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.440 12.391 -5.812 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.746 12.270 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.532 11.806 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.784 11.681 -3.450 1.00 0.00 H new ATOM 10 N LYS A 2 21.734 9.395 -3.981 1.00 0.00 N ATOM 11 CA LYS A 2 21.931 7.993 -4.321 1.00 0.00 C ATOM 12 C LYS A 2 21.172 7.081 -3.371 1.00 0.00 C ATOM 13 O LYS A 2 20.930 7.431 -2.213 1.00 0.00 O ATOM 14 CB LYS A 2 23.413 7.637 -4.301 1.00 0.00 C ATOM 15 CG LYS A 2 24.160 8.118 -5.530 1.00 0.00 C ATOM 16 CD LYS A 2 23.689 7.390 -6.784 1.00 0.00 C ATOM 17 CE LYS A 2 24.173 5.944 -6.821 1.00 0.00 C ATOM 18 NZ LYS A 2 25.654 5.848 -6.900 1.00 0.00 N ATOM 0 H LYS A 2 22.400 9.760 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 2 21.541 7.844 -5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.872 8.070 -3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.519 6.555 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.011 9.191 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.230 7.958 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.600 7.409 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.052 7.916 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 2 23.824 5.423 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.732 5.437 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.924 4.892 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 26.011 6.546 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.065 6.038 -5.964 1.00 0.00 H new ATOM 32 N LEU A 3 20.797 5.915 -3.876 1.00 0.00 N ATOM 33 CA LEU A 3 20.123 4.908 -3.069 1.00 0.00 C ATOM 34 C LEU A 3 21.137 4.132 -2.241 1.00 0.00 C ATOM 35 O LEU A 3 21.848 3.271 -2.765 1.00 0.00 O ATOM 36 CB LEU A 3 19.343 3.925 -3.946 1.00 0.00 C ATOM 37 CG LEU A 3 18.190 4.513 -4.759 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.682 3.485 -5.759 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.059 4.955 -3.841 1.00 0.00 C ATOM 0 H LEU A 3 20.949 5.642 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 3 19.425 5.427 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.042 3.452 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.944 3.137 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 3 18.555 5.386 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.860 3.912 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.490 3.204 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.331 2.601 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.247 5.371 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.692 4.098 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.427 5.714 -3.150 1.00 0.00 H new ATOM 51 N SER A 4 21.207 4.444 -0.960 1.00 0.00 N ATOM 52 CA SER A 4 22.060 3.710 -0.041 1.00 0.00 C ATOM 53 C SER A 4 21.459 2.330 0.225 1.00 0.00 C ATOM 54 O SER A 4 20.382 2.030 -0.285 1.00 0.00 O ATOM 55 CB SER A 4 22.219 4.498 1.258 1.00 0.00 C ATOM 56 OG SER A 4 22.680 5.814 0.990 1.00 0.00 O ATOM 0 H SER A 4 20.681 5.205 -0.530 1.00 0.00 H new ATOM 0 HA SER A 4 23.048 3.577 -0.483 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.265 4.541 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.922 3.987 1.916 1.00 0.00 H new ATOM 0 HG SER A 4 22.775 6.305 1.833 1.00 0.00 H new ATOM 62 N GLU A 5 22.132 1.501 1.023 1.00 0.00 N ATOM 63 CA GLU A 5 21.680 0.124 1.258 1.00 0.00 C ATOM 64 C GLU A 5 20.211 0.068 1.666 1.00 0.00 C ATOM 65 O GLU A 5 19.448 -0.745 1.147 1.00 0.00 O ATOM 66 CB GLU A 5 22.528 -0.562 2.328 1.00 0.00 C ATOM 67 CG GLU A 5 23.951 -0.846 1.891 1.00 0.00 C ATOM 68 CD GLU A 5 24.723 -1.647 2.914 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.493 -1.043 3.689 1.00 0.00 O ATOM 70 OE2 GLU A 5 24.562 -2.885 2.950 1.00 0.00 O ATOM 0 H GLU A 5 22.988 1.754 1.517 1.00 0.00 H new ATOM 0 HA GLU A 5 21.797 -0.405 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.550 0.066 3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.050 -1.500 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.936 -1.389 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.466 0.097 1.709 1.00 0.00 H new ATOM 77 N GLN A 6 19.818 0.947 2.580 1.00 0.00 N ATOM 78 CA GLN A 6 18.442 0.986 3.063 1.00 0.00 C ATOM 79 C GLN A 6 17.480 1.316 1.921 1.00 0.00 C ATOM 80 O GLN A 6 16.455 0.658 1.754 1.00 0.00 O ATOM 81 CB GLN A 6 18.280 2.019 4.189 1.00 0.00 C ATOM 82 CG GLN A 6 18.916 1.638 5.528 1.00 0.00 C ATOM 83 CD GLN A 6 20.369 1.223 5.425 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.270 2.055 5.499 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.611 -0.068 5.273 1.00 0.00 N ATOM 0 H GLN A 6 20.433 1.643 3.002 1.00 0.00 H new ATOM 0 HA GLN A 6 18.203 -0.001 3.459 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.712 2.963 3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.216 2.193 4.348 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.838 2.485 6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.346 0.821 5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.836 -0.729 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.573 -0.403 5.213 1.00 0.00 H new ATOM 94 N LEU A 7 17.829 2.314 1.116 1.00 0.00 N ATOM 95 CA LEU A 7 16.950 2.758 0.039 1.00 0.00 C ATOM 96 C LEU A 7 17.032 1.823 -1.168 1.00 0.00 C ATOM 97 O LEU A 7 16.115 1.756 -1.986 1.00 0.00 O ATOM 98 CB LEU A 7 17.277 4.194 -0.369 1.00 0.00 C ATOM 99 CG LEU A 7 17.055 5.232 0.725 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.552 6.594 0.273 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.586 5.305 1.112 1.00 0.00 C ATOM 0 H LEU A 7 18.707 2.828 1.187 1.00 0.00 H new ATOM 0 HA LEU A 7 15.927 2.730 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.318 4.239 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.668 4.460 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 7 17.624 4.927 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.386 7.323 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.617 6.537 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.010 6.901 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.452 6.052 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.993 5.582 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.258 4.333 1.479 1.00 0.00 H new ATOM 113 N LYS A 8 18.126 1.098 -1.285 1.00 0.00 N ATOM 114 CA LYS A 8 18.242 0.086 -2.315 1.00 0.00 C ATOM 115 C LYS A 8 17.428 -1.132 -1.912 1.00 0.00 C ATOM 116 O LYS A 8 16.808 -1.789 -2.749 1.00 0.00 O ATOM 117 CB LYS A 8 19.709 -0.284 -2.543 1.00 0.00 C ATOM 118 CG LYS A 8 19.928 -1.328 -3.631 1.00 0.00 C ATOM 119 CD LYS A 8 19.305 -0.922 -4.962 1.00 0.00 C ATOM 120 CE LYS A 8 19.887 0.376 -5.504 1.00 0.00 C ATOM 121 NZ LYS A 8 21.336 0.260 -5.814 1.00 0.00 N ATOM 0 H LYS A 8 18.944 1.190 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 8 17.852 0.478 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.263 0.618 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.128 -0.657 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.998 -1.487 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.503 -2.279 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.460 -1.718 -5.690 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.228 -0.810 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.347 0.665 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.737 1.171 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.660 1.127 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.870 0.128 -4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.493 -0.556 -6.439 1.00 0.00 H new ATOM 135 N HIS A 9 17.405 -1.405 -0.617 1.00 0.00 N ATOM 136 CA HIS A 9 16.610 -2.498 -0.093 1.00 0.00 C ATOM 137 C HIS A 9 15.127 -2.153 -0.190 1.00 0.00 C ATOM 138 O HIS A 9 14.300 -3.025 -0.456 1.00 0.00 O ATOM 139 CB HIS A 9 16.986 -2.804 1.358 1.00 0.00 C ATOM 140 CG HIS A 9 16.793 -4.242 1.727 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.823 -5.053 2.145 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.686 -5.019 1.726 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.359 -6.263 2.381 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.063 -6.270 2.137 1.00 0.00 N ATOM 0 H HIS A 9 17.928 -0.884 0.087 1.00 0.00 H new ATOM 0 HA HIS A 9 16.813 -3.387 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.028 -2.530 1.522 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.385 -2.182 2.021 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.688 -4.710 1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.942 -7.107 2.718 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.444 -7.074 2.238 1.00 0.00 H new ATOM 153 N CYS A 10 14.791 -0.877 0.011 1.00 0.00 N ATOM 154 CA CYS A 10 13.402 -0.444 -0.094 1.00 0.00 C ATOM 155 C CYS A 10 12.941 -0.522 -1.542 1.00 0.00 C ATOM 156 O CYS A 10 11.764 -0.756 -1.818 1.00 0.00 O ATOM 157 CB CYS A 10 13.199 0.978 0.465 1.00 0.00 C ATOM 158 SG CYS A 10 13.781 2.331 -0.578 1.00 0.00 S ATOM 0 H CYS A 10 15.453 -0.137 0.244 1.00 0.00 H new ATOM 0 HA CYS A 10 12.795 -1.117 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.136 1.124 0.654 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.706 1.044 1.428 1.00 0.00 H new ATOM 0 HG CYS A 10 14.664 1.881 -1.419 1.00 0.00 H new ATOM 164 N ASN A 11 13.884 -0.349 -2.463 1.00 0.00 N ATOM 165 CA ASN A 11 13.597 -0.480 -3.881 1.00 0.00 C ATOM 166 C ASN A 11 13.223 -1.923 -4.202 1.00 0.00 C ATOM 167 O ASN A 11 12.272 -2.181 -4.939 1.00 0.00 O ATOM 168 CB ASN A 11 14.814 -0.064 -4.711 1.00 0.00 C ATOM 169 CG ASN A 11 14.556 -0.122 -6.205 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.741 -1.159 -6.844 1.00 0.00 O ATOM 171 ND2 ASN A 11 14.139 0.997 -6.773 1.00 0.00 N ATOM 0 H ASN A 11 14.854 -0.117 -2.249 1.00 0.00 H new ATOM 0 HA ASN A 11 12.761 0.174 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.106 0.950 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.654 -0.714 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.958 1.023 -7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.998 1.834 -6.208 1.00 0.00 H new ATOM 178 N GLY A 12 13.967 -2.852 -3.612 1.00 0.00 N ATOM 179 CA GLY A 12 13.750 -4.266 -3.866 1.00 0.00 C ATOM 180 C GLY A 12 12.452 -4.770 -3.269 1.00 0.00 C ATOM 181 O GLY A 12 11.731 -5.542 -3.899 1.00 0.00 O ATOM 0 H GLY A 12 14.722 -2.650 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.744 -4.442 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.582 -4.838 -3.454 1.00 0.00 H new ATOM 185 N ILE A 13 12.156 -4.330 -2.051 1.00 0.00 N ATOM 186 CA ILE A 13 10.915 -4.704 -1.380 1.00 0.00 C ATOM 187 C ILE A 13 9.708 -4.229 -2.186 1.00 0.00 C ATOM 188 O ILE A 13 8.809 -5.011 -2.500 1.00 0.00 O ATOM 189 CB ILE A 13 10.855 -4.111 0.044 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.953 -4.718 0.929 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.484 -4.322 0.659 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.094 -4.059 2.283 1.00 0.00 C ATOM 0 H ILE A 13 12.759 -3.713 -1.507 1.00 0.00 H new ATOM 0 HA ILE A 13 10.891 -5.791 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 13 11.030 -3.037 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.743 -5.778 1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.906 -4.651 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.466 -3.896 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.730 -3.832 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.270 -5.389 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.891 -4.547 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.337 -3.005 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.156 -4.149 2.831 1.00 0.00 H new ATOM 204 N LEU A 14 9.711 -2.944 -2.524 1.00 0.00 N ATOM 205 CA LEU A 14 8.658 -2.347 -3.330 1.00 0.00 C ATOM 206 C LEU A 14 8.494 -3.104 -4.641 1.00 0.00 C ATOM 207 O LEU A 14 7.385 -3.463 -5.033 1.00 0.00 O ATOM 208 CB LEU A 14 9.015 -0.895 -3.630 1.00 0.00 C ATOM 209 CG LEU A 14 7.843 0.064 -3.678 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.372 1.473 -3.711 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.966 -0.187 -4.892 1.00 0.00 C ATOM 0 H LEU A 14 10.443 -2.290 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 14 7.721 -2.396 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.717 -0.547 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.534 -0.856 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 14 7.228 -0.091 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.538 2.174 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.966 1.660 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.996 1.607 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.136 0.519 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.555 -0.056 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.577 -1.204 -4.856 1.00 0.00 H new ATOM 223 N LYS A 15 9.618 -3.343 -5.302 1.00 0.00 N ATOM 224 CA LYS A 15 9.656 -4.041 -6.564 1.00 0.00 C ATOM 225 C LYS A 15 8.978 -5.401 -6.456 1.00 0.00 C ATOM 226 O LYS A 15 8.247 -5.820 -7.354 1.00 0.00 O ATOM 227 CB LYS A 15 11.117 -4.188 -6.984 1.00 0.00 C ATOM 228 CG LYS A 15 11.397 -5.438 -7.772 1.00 0.00 C ATOM 229 CD LYS A 15 10.924 -5.324 -9.208 1.00 0.00 C ATOM 230 CE LYS A 15 11.020 -6.660 -9.910 1.00 0.00 C ATOM 231 NZ LYS A 15 10.806 -6.529 -11.375 1.00 0.00 N ATOM 0 H LYS A 15 10.536 -3.051 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 15 9.111 -3.473 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.403 -3.322 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.744 -4.183 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.468 -5.643 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.905 -6.285 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.894 -4.969 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.526 -4.585 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.000 -7.099 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.280 -7.343 -9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.879 -7.465 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.861 -6.133 -11.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.528 -5.897 -11.776 1.00 0.00 H new ATOM 245 N GLU A 16 9.210 -6.066 -5.345 1.00 0.00 N ATOM 246 CA GLU A 16 8.685 -7.408 -5.139 1.00 0.00 C ATOM 247 C GLU A 16 7.172 -7.373 -4.963 1.00 0.00 C ATOM 248 O GLU A 16 6.449 -8.184 -5.544 1.00 0.00 O ATOM 249 CB GLU A 16 9.330 -8.078 -3.918 1.00 0.00 C ATOM 250 CG GLU A 16 8.813 -9.487 -3.644 1.00 0.00 C ATOM 251 CD GLU A 16 9.013 -9.924 -2.219 1.00 0.00 C ATOM 252 OE1 GLU A 16 9.955 -9.430 -1.571 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.245 -10.793 -1.752 1.00 0.00 O ATOM 0 H GLU A 16 9.759 -5.703 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 16 8.929 -7.994 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.409 -8.119 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.152 -7.458 -3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.751 -9.531 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.320 -10.188 -4.307 1.00 0.00 H new ATOM 260 N LEU A 17 6.700 -6.429 -4.163 1.00 0.00 N ATOM 261 CA LEU A 17 5.267 -6.235 -3.959 1.00 0.00 C ATOM 262 C LEU A 17 4.608 -5.823 -5.282 1.00 0.00 C ATOM 263 O LEU A 17 3.411 -6.025 -5.485 1.00 0.00 O ATOM 264 CB LEU A 17 5.032 -5.174 -2.870 1.00 0.00 C ATOM 265 CG LEU A 17 5.640 -5.489 -1.499 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.834 -4.208 -0.715 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.751 -6.440 -0.710 1.00 0.00 C ATOM 0 H LEU A 17 7.289 -5.781 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 17 4.815 -7.169 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.438 -4.225 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.958 -5.035 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 17 6.604 -5.972 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.266 -4.439 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.504 -3.545 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.871 -3.717 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.207 -6.646 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.773 -5.984 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.636 -7.373 -1.262 1.00 0.00 H new ATOM 279 N LEU A 18 5.416 -5.271 -6.185 1.00 0.00 N ATOM 280 CA LEU A 18 4.958 -4.875 -7.516 1.00 0.00 C ATOM 281 C LEU A 18 5.148 -5.994 -8.538 1.00 0.00 C ATOM 282 O LEU A 18 4.720 -5.881 -9.685 1.00 0.00 O ATOM 283 CB LEU A 18 5.728 -3.658 -7.999 1.00 0.00 C ATOM 284 CG LEU A 18 5.411 -2.355 -7.284 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.275 -1.245 -7.843 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.940 -2.002 -7.415 1.00 0.00 C ATOM 0 H LEU A 18 6.405 -5.086 -6.016 1.00 0.00 H new ATOM 0 HA LEU A 18 3.896 -4.647 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.794 -3.859 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.532 -3.525 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 18 5.628 -2.479 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.046 -0.312 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.326 -1.492 -7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.076 -1.131 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.743 -1.065 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.685 -1.892 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.335 -2.796 -6.976 1.00 0.00 H new ATOM 298 N SER A 19 5.839 -7.042 -8.140 1.00 0.00 N ATOM 299 CA SER A 19 6.068 -8.183 -9.016 1.00 0.00 C ATOM 300 C SER A 19 4.809 -9.038 -9.139 1.00 0.00 C ATOM 301 O SER A 19 4.009 -9.141 -8.203 1.00 0.00 O ATOM 302 CB SER A 19 7.231 -9.023 -8.490 1.00 0.00 C ATOM 303 OG SER A 19 8.417 -8.248 -8.399 1.00 0.00 O ATOM 0 H SER A 19 6.255 -7.132 -7.213 1.00 0.00 H new ATOM 0 HA SER A 19 6.321 -7.809 -10.008 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.979 -9.426 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.398 -9.874 -9.151 1.00 0.00 H new ATOM 0 HG SER A 19 8.183 -7.307 -8.260 1.00 0.00 H new ATOM 309 N LYS A 20 4.660 -9.660 -10.311 1.00 0.00 N ATOM 310 CA LYS A 20 3.471 -10.439 -10.656 1.00 0.00 C ATOM 311 C LYS A 20 3.234 -11.593 -9.688 1.00 0.00 C ATOM 312 O LYS A 20 2.125 -12.118 -9.605 1.00 0.00 O ATOM 313 CB LYS A 20 3.578 -10.957 -12.088 1.00 0.00 C ATOM 314 CG LYS A 20 3.370 -9.865 -13.121 1.00 0.00 C ATOM 315 CD LYS A 20 1.907 -9.452 -13.209 1.00 0.00 C ATOM 316 CE LYS A 20 1.702 -8.290 -14.169 1.00 0.00 C ATOM 317 NZ LYS A 20 2.160 -8.614 -15.543 1.00 0.00 N ATOM 0 H LYS A 20 5.364 -9.637 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 20 2.612 -9.773 -10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.559 -11.409 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.839 -11.743 -12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.979 -8.998 -12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.710 -10.215 -14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.309 -10.303 -13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.549 -9.172 -12.218 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.646 -8.022 -14.193 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.244 -7.418 -13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.865 -7.859 -16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.197 -8.695 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.739 -9.516 -15.846 1.00 0.00 H new ATOM 331 N LYS A 21 4.280 -11.978 -8.967 1.00 0.00 N ATOM 332 CA LYS A 21 4.174 -12.979 -7.915 1.00 0.00 C ATOM 333 C LYS A 21 3.134 -12.567 -6.869 1.00 0.00 C ATOM 334 O LYS A 21 2.394 -13.402 -6.351 1.00 0.00 O ATOM 335 CB LYS A 21 5.537 -13.174 -7.243 1.00 0.00 C ATOM 336 CG LYS A 21 5.487 -14.009 -5.976 1.00 0.00 C ATOM 337 CD LYS A 21 6.842 -14.105 -5.313 1.00 0.00 C ATOM 338 CE LYS A 21 6.827 -15.166 -4.233 1.00 0.00 C ATOM 339 NZ LYS A 21 6.856 -16.541 -4.795 1.00 0.00 N ATOM 0 H LYS A 21 5.221 -11.606 -9.095 1.00 0.00 H new ATOM 0 HA LYS A 21 3.853 -13.918 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.216 -13.648 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.957 -12.196 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.772 -13.571 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.127 -15.010 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.602 -14.345 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.112 -13.141 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.686 -15.026 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.934 -15.045 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.065 -17.222 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.931 -16.764 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.592 -16.601 -5.527 1.00 0.00 H new ATOM 353 N HIS A 22 3.069 -11.275 -6.572 1.00 0.00 N ATOM 354 CA HIS A 22 2.156 -10.788 -5.545 1.00 0.00 C ATOM 355 C HIS A 22 0.996 -10.032 -6.171 1.00 0.00 C ATOM 356 O HIS A 22 -0.007 -9.792 -5.511 1.00 0.00 O ATOM 357 CB HIS A 22 2.881 -9.883 -4.536 1.00 0.00 C ATOM 358 CG HIS A 22 3.988 -10.567 -3.785 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.775 -11.379 -2.689 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.327 -10.539 -3.973 1.00 0.00 C ATOM 361 CE1 HIS A 22 4.935 -11.818 -2.233 1.00 0.00 C ATOM 362 NE2 HIS A 22 5.900 -11.322 -2.992 1.00 0.00 N ATOM 0 H HIS A 22 3.631 -10.552 -7.022 1.00 0.00 H new ATOM 0 HA HIS A 22 1.769 -11.657 -5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.292 -9.023 -5.065 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.154 -9.499 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.852 -10.002 -4.749 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.073 -12.471 -1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 22 6.899 -11.490 -2.872 1.00 0.00 H new ATOM 371 N ALA A 23 1.134 -9.689 -7.451 1.00 0.00 N ATOM 372 CA ALA A 23 0.144 -8.879 -8.171 1.00 0.00 C ATOM 373 C ALA A 23 -1.278 -9.388 -7.987 1.00 0.00 C ATOM 374 O ALA A 23 -2.215 -8.598 -7.880 1.00 0.00 O ATOM 375 CB ALA A 23 0.494 -8.841 -9.644 1.00 0.00 C ATOM 0 H ALA A 23 1.934 -9.963 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 23 0.178 -7.874 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.242 -8.239 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.483 -8.402 -9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.493 -9.855 -10.045 1.00 0.00 H new ATOM 381 N ALA A 24 -1.419 -10.706 -7.916 1.00 0.00 N ATOM 382 CA ALA A 24 -2.716 -11.359 -7.749 1.00 0.00 C ATOM 383 C ALA A 24 -3.477 -10.832 -6.524 1.00 0.00 C ATOM 384 O ALA A 24 -4.702 -10.945 -6.447 1.00 0.00 O ATOM 385 CB ALA A 24 -2.504 -12.858 -7.633 1.00 0.00 C ATOM 0 H ALA A 24 -0.635 -11.356 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.327 -11.132 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.467 -13.353 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.020 -13.228 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.872 -13.070 -6.771 1.00 0.00 H new ATOM 391 N TYR A 25 -2.747 -10.270 -5.572 1.00 0.00 N ATOM 392 CA TYR A 25 -3.348 -9.696 -4.375 1.00 0.00 C ATOM 393 C TYR A 25 -2.618 -8.416 -3.966 1.00 0.00 C ATOM 394 O TYR A 25 -2.715 -7.969 -2.826 1.00 0.00 O ATOM 395 CB TYR A 25 -3.353 -10.726 -3.233 1.00 0.00 C ATOM 396 CG TYR A 25 -2.085 -11.540 -3.113 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.937 -11.003 -2.552 1.00 0.00 C ATOM 398 CD2 TYR A 25 -2.045 -12.857 -3.557 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.217 -11.754 -2.441 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.895 -13.613 -3.447 1.00 0.00 C ATOM 401 CZ TYR A 25 0.232 -13.056 -2.890 1.00 0.00 C ATOM 402 OH TYR A 25 1.381 -13.802 -2.784 1.00 0.00 O ATOM 0 H TYR A 25 -1.730 -10.199 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.382 -9.432 -4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.524 -10.204 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.193 -11.406 -3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.945 -9.983 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.929 -13.296 -3.996 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.105 -11.322 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.881 -14.635 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 25 2.157 -13.204 -2.748 1.00 0.00 H new ATOM 412 N ALA A 26 -1.888 -7.831 -4.916 1.00 0.00 N ATOM 413 CA ALA A 26 -1.159 -6.586 -4.676 1.00 0.00 C ATOM 414 C ALA A 26 -1.719 -5.446 -5.531 1.00 0.00 C ATOM 415 O ALA A 26 -1.412 -4.271 -5.300 1.00 0.00 O ATOM 416 CB ALA A 26 0.330 -6.762 -4.966 1.00 0.00 C ATOM 0 H ALA A 26 -1.786 -8.201 -5.861 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.287 -6.330 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.850 -5.822 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.738 -7.537 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.466 -7.052 -6.008 1.00 0.00 H new ATOM 422 N TRP A 27 -2.549 -5.792 -6.514 1.00 0.00 N ATOM 423 CA TRP A 27 -3.091 -4.794 -7.436 1.00 0.00 C ATOM 424 C TRP A 27 -3.852 -3.644 -6.733 1.00 0.00 C ATOM 425 O TRP A 27 -3.798 -2.517 -7.227 1.00 0.00 O ATOM 426 CB TRP A 27 -3.966 -5.438 -8.530 1.00 0.00 C ATOM 427 CG TRP A 27 -5.112 -6.271 -8.032 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.108 -7.618 -7.811 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.437 -5.818 -7.717 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.339 -8.026 -7.360 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.171 -6.942 -7.295 1.00 0.00 C ATOM 432 CE3 TRP A 27 -7.073 -4.570 -7.737 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.503 -6.856 -6.904 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.395 -4.491 -7.351 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.097 -5.627 -6.938 1.00 0.00 C ATOM 0 H TRP A 27 -2.859 -6.747 -6.692 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.220 -4.342 -7.910 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.364 -4.647 -9.166 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.331 -6.063 -9.158 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.260 -8.268 -7.968 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.592 -8.983 -7.113 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.538 -3.685 -8.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.049 -7.731 -6.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.896 -3.535 -7.368 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.130 -5.531 -6.640 1.00 0.00 H new ATOM 446 N PRO A 28 -4.577 -3.871 -5.593 1.00 0.00 N ATOM 447 CA PRO A 28 -5.238 -2.772 -4.871 1.00 0.00 C ATOM 448 C PRO A 28 -4.285 -1.633 -4.513 1.00 0.00 C ATOM 449 O PRO A 28 -4.710 -0.494 -4.327 1.00 0.00 O ATOM 450 CB PRO A 28 -5.760 -3.403 -3.569 1.00 0.00 C ATOM 451 CG PRO A 28 -5.315 -4.831 -3.567 1.00 0.00 C ATOM 452 CD PRO A 28 -4.868 -5.175 -4.964 1.00 0.00 C ATOM 0 HA PRO A 28 -6.016 -2.336 -5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.367 -2.875 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.847 -3.338 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.500 -4.976 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.129 -5.485 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.986 -5.815 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.645 -5.713 -5.508 1.00 0.00 H new ATOM 460 N PHE A 29 -2.998 -1.944 -4.420 1.00 0.00 N ATOM 461 CA PHE A 29 -2.021 -0.983 -3.910 1.00 0.00 C ATOM 462 C PHE A 29 -1.088 -0.486 -5.006 1.00 0.00 C ATOM 463 O PHE A 29 -0.269 0.403 -4.771 1.00 0.00 O ATOM 464 CB PHE A 29 -1.192 -1.603 -2.786 1.00 0.00 C ATOM 465 CG PHE A 29 -1.940 -2.637 -1.997 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.596 -3.975 -2.091 1.00 0.00 C ATOM 467 CD2 PHE A 29 -2.999 -2.278 -1.179 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.291 -4.932 -1.388 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.697 -3.234 -0.472 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.341 -4.562 -0.579 1.00 0.00 C ATOM 0 H PHE A 29 -2.606 -2.847 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.584 -0.132 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.298 -2.058 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.858 -0.814 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.772 -4.271 -2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.281 -1.239 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.013 -5.972 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.520 -2.944 0.164 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.887 -5.313 -0.027 1.00 0.00 H new ATOM 480 N TYR A 30 -1.184 -1.082 -6.189 1.00 0.00 N ATOM 481 CA TYR A 30 -0.410 -0.614 -7.333 1.00 0.00 C ATOM 482 C TYR A 30 -0.720 0.848 -7.629 1.00 0.00 C ATOM 483 O TYR A 30 0.173 1.694 -7.624 1.00 0.00 O ATOM 484 CB TYR A 30 -0.697 -1.463 -8.576 1.00 0.00 C ATOM 485 CG TYR A 30 0.027 -2.790 -8.591 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.556 -3.317 -7.428 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.193 -3.507 -9.768 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.231 -4.516 -7.427 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.864 -4.713 -9.777 1.00 0.00 C ATOM 490 CZ TYR A 30 1.384 -5.211 -8.601 1.00 0.00 C ATOM 491 OH TYR A 30 2.058 -6.408 -8.600 1.00 0.00 O ATOM 0 H TYR A 30 -1.785 -1.884 -6.381 1.00 0.00 H new ATOM 0 HA TYR A 30 0.646 -0.711 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.770 -1.645 -8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.416 -0.897 -9.464 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.437 -2.776 -6.501 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.209 -3.115 -10.691 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.639 -4.908 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.981 -5.263 -10.699 1.00 0.00 H new ATOM 0 HH TYR A 30 2.702 -6.421 -9.338 1.00 0.00 H new ATOM 501 N LYS A 31 -1.991 1.136 -7.867 1.00 0.00 N ATOM 502 CA LYS A 31 -2.418 2.463 -8.263 1.00 0.00 C ATOM 503 C LYS A 31 -3.570 2.923 -7.368 1.00 0.00 C ATOM 504 O LYS A 31 -4.266 2.088 -6.791 1.00 0.00 O ATOM 505 CB LYS A 31 -2.890 2.424 -9.717 1.00 0.00 C ATOM 506 CG LYS A 31 -1.928 1.738 -10.684 1.00 0.00 C ATOM 507 CD LYS A 31 -2.274 2.070 -12.124 1.00 0.00 C ATOM 508 CE LYS A 31 -1.439 1.263 -13.104 1.00 0.00 C ATOM 509 NZ LYS A 31 -1.667 -0.197 -12.957 1.00 0.00 N ATOM 0 H LYS A 31 -2.749 0.458 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.585 3.159 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.851 1.912 -9.759 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.058 3.446 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.906 2.052 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.967 0.659 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.332 1.873 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.115 3.134 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.680 1.567 -14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.383 1.483 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.350 -0.686 -13.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.130 -0.552 -12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.681 -0.377 -12.810 1.00 0.00 H new ATOM 523 N PRO A 32 -3.785 4.251 -7.237 1.00 0.00 N ATOM 524 CA PRO A 32 -4.900 4.810 -6.456 1.00 0.00 C ATOM 525 C PRO A 32 -6.247 4.254 -6.896 1.00 0.00 C ATOM 526 O PRO A 32 -6.517 4.136 -8.099 1.00 0.00 O ATOM 527 CB PRO A 32 -4.840 6.318 -6.761 1.00 0.00 C ATOM 528 CG PRO A 32 -3.955 6.435 -7.953 1.00 0.00 C ATOM 529 CD PRO A 32 -2.963 5.326 -7.808 1.00 0.00 C ATOM 0 HA PRO A 32 -4.808 4.566 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.833 6.719 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.439 6.876 -5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.524 6.338 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.460 7.406 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.527 5.041 -8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.138 5.601 -7.151 1.00 0.00 H new ATOM 537 N VAL A 33 -7.087 3.914 -5.922 1.00 0.00 N ATOM 538 CA VAL A 33 -8.421 3.403 -6.209 1.00 0.00 C ATOM 539 C VAL A 33 -9.201 4.428 -7.023 1.00 0.00 C ATOM 540 O VAL A 33 -9.045 5.640 -6.838 1.00 0.00 O ATOM 541 CB VAL A 33 -9.210 3.037 -4.916 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.268 2.562 -3.827 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.084 4.181 -4.415 1.00 0.00 C ATOM 0 H VAL A 33 -6.866 3.984 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.301 2.484 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.883 2.221 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.841 2.312 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.729 1.679 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.556 3.353 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.610 3.869 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.459 5.045 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.809 4.448 -5.183 1.00 0.00 H new ATOM 553 N ASP A 34 -10.026 3.942 -7.928 1.00 0.00 N ATOM 554 CA ASP A 34 -10.812 4.819 -8.786 1.00 0.00 C ATOM 555 C ASP A 34 -12.068 5.226 -8.046 1.00 0.00 C ATOM 556 O ASP A 34 -13.175 4.875 -8.440 1.00 0.00 O ATOM 557 CB ASP A 34 -11.163 4.134 -10.114 1.00 0.00 C ATOM 558 CG ASP A 34 -9.933 3.802 -10.935 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.541 4.635 -11.782 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.344 2.717 -10.735 1.00 0.00 O ATOM 0 H ASP A 34 -10.173 2.946 -8.092 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.223 5.704 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.720 3.219 -9.912 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.819 4.784 -10.693 1.00 0.00 H new ATOM 565 N ALA A 35 -11.862 5.966 -6.960 1.00 0.00 N ATOM 566 CA ALA A 35 -12.906 6.276 -5.991 1.00 0.00 C ATOM 567 C ALA A 35 -14.186 6.777 -6.647 1.00 0.00 C ATOM 568 O ALA A 35 -15.278 6.333 -6.300 1.00 0.00 O ATOM 569 CB ALA A 35 -12.386 7.281 -4.974 1.00 0.00 C ATOM 0 H ALA A 35 -10.955 6.371 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.166 5.348 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.171 7.508 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.526 6.860 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.088 8.196 -5.486 1.00 0.00 H new ATOM 575 N SER A 36 -14.049 7.668 -7.616 1.00 0.00 N ATOM 576 CA SER A 36 -15.203 8.220 -8.312 1.00 0.00 C ATOM 577 C SER A 36 -15.963 7.117 -9.050 1.00 0.00 C ATOM 578 O SER A 36 -17.196 7.106 -9.083 1.00 0.00 O ATOM 579 CB SER A 36 -14.746 9.294 -9.298 1.00 0.00 C ATOM 580 OG SER A 36 -15.849 9.918 -9.932 1.00 0.00 O ATOM 0 H SER A 36 -13.150 8.025 -7.939 1.00 0.00 H new ATOM 0 HA SER A 36 -15.874 8.668 -7.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.154 10.044 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.097 8.846 -10.051 1.00 0.00 H new ATOM 0 HG SER A 36 -15.525 10.601 -10.555 1.00 0.00 H new ATOM 586 N ALA A 37 -15.217 6.180 -9.616 1.00 0.00 N ATOM 587 CA ALA A 37 -15.796 5.086 -10.380 1.00 0.00 C ATOM 588 C ALA A 37 -16.460 4.051 -9.475 1.00 0.00 C ATOM 589 O ALA A 37 -17.431 3.407 -9.876 1.00 0.00 O ATOM 590 CB ALA A 37 -14.729 4.431 -11.244 1.00 0.00 C ATOM 0 H ALA A 37 -14.199 6.157 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.572 5.502 -11.022 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.172 3.613 -11.812 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.315 5.168 -11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.934 4.042 -10.608 1.00 0.00 H new ATOM 596 N LEU A 38 -15.954 3.890 -8.252 1.00 0.00 N ATOM 597 CA LEU A 38 -16.567 2.922 -7.326 1.00 0.00 C ATOM 598 C LEU A 38 -17.630 3.593 -6.457 1.00 0.00 C ATOM 599 O LEU A 38 -18.133 2.995 -5.506 1.00 0.00 O ATOM 600 CB LEU A 38 -15.566 2.167 -6.432 1.00 0.00 C ATOM 601 CG LEU A 38 -14.210 1.808 -7.035 1.00 0.00 C ATOM 602 CD1 LEU A 38 -13.091 2.653 -6.437 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.942 0.350 -6.783 1.00 0.00 C ATOM 0 H LEU A 38 -15.149 4.396 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.026 2.172 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.389 2.771 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.041 1.244 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.237 2.010 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.140 2.371 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.287 3.707 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.045 2.486 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.976 0.079 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.931 0.162 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.724 -0.249 -7.248 1.00 0.00 H new ATOM 615 N GLY A 39 -17.976 4.833 -6.793 1.00 0.00 N ATOM 616 CA GLY A 39 -19.022 5.541 -6.071 1.00 0.00 C ATOM 617 C GLY A 39 -18.556 6.048 -4.721 1.00 0.00 C ATOM 618 O GLY A 39 -19.362 6.410 -3.864 1.00 0.00 O ATOM 0 H GLY A 39 -17.550 5.362 -7.554 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.368 6.382 -6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.875 4.877 -5.931 1.00 0.00 H new ATOM 622 N LEU A 40 -17.250 6.077 -4.536 1.00 0.00 N ATOM 623 CA LEU A 40 -16.661 6.498 -3.281 1.00 0.00 C ATOM 624 C LEU A 40 -16.370 7.992 -3.307 1.00 0.00 C ATOM 625 O LEU A 40 -15.270 8.423 -3.652 1.00 0.00 O ATOM 626 CB LEU A 40 -15.377 5.719 -3.021 1.00 0.00 C ATOM 627 CG LEU A 40 -15.439 4.233 -3.370 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.189 3.524 -2.893 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.689 3.577 -2.798 1.00 0.00 C ATOM 0 H LEU A 40 -16.571 5.810 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.368 6.295 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.570 6.177 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.117 5.818 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.493 4.146 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.250 2.466 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.315 3.964 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.101 3.630 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.700 2.520 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.688 3.676 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.575 4.064 -3.206 1.00 0.00 H new ATOM 641 N HIS A 41 -17.366 8.778 -2.941 1.00 0.00 N ATOM 642 CA HIS A 41 -17.250 10.232 -2.982 1.00 0.00 C ATOM 643 C HIS A 41 -16.612 10.751 -1.699 1.00 0.00 C ATOM 644 O HIS A 41 -16.335 11.943 -1.560 1.00 0.00 O ATOM 645 CB HIS A 41 -18.631 10.873 -3.162 1.00 0.00 C ATOM 646 CG HIS A 41 -19.444 10.275 -4.278 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.360 10.719 -5.577 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.347 9.254 -4.292 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.167 10.007 -6.339 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.776 9.111 -5.587 1.00 0.00 N ATOM 0 H HIS A 41 -18.269 8.437 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.618 10.500 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.188 10.779 -2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.503 11.939 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.665 8.668 -3.443 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.306 10.136 -7.402 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.455 8.424 -5.915 1.00 0.00 H new ATOM 659 N ASP A 42 -16.370 9.838 -0.773 1.00 0.00 N ATOM 660 CA ASP A 42 -15.884 10.190 0.555 1.00 0.00 C ATOM 661 C ASP A 42 -14.455 9.697 0.771 1.00 0.00 C ATOM 662 O ASP A 42 -13.954 9.696 1.892 1.00 0.00 O ATOM 663 CB ASP A 42 -16.800 9.579 1.616 1.00 0.00 C ATOM 664 CG ASP A 42 -18.206 10.150 1.593 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.998 9.772 0.702 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.534 10.963 2.483 1.00 0.00 O ATOM 0 H ASP A 42 -16.503 8.837 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.888 11.277 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.850 8.501 1.466 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.364 9.744 2.601 1.00 0.00 H new ATOM 671 N TYR A 43 -13.787 9.313 -0.309 1.00 0.00 N ATOM 672 CA TYR A 43 -12.503 8.625 -0.201 1.00 0.00 C ATOM 673 C TYR A 43 -11.418 9.515 0.408 1.00 0.00 C ATOM 674 O TYR A 43 -10.647 9.062 1.247 1.00 0.00 O ATOM 675 CB TYR A 43 -12.070 8.077 -1.572 1.00 0.00 C ATOM 676 CG TYR A 43 -10.738 7.354 -1.576 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.664 6.022 -1.212 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.567 7.995 -1.961 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.466 5.339 -1.229 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.359 7.319 -1.977 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.316 5.991 -1.610 1.00 0.00 C ATOM 682 OH TYR A 43 -7.123 5.308 -1.635 1.00 0.00 O ATOM 0 H TYR A 43 -14.109 9.464 -1.265 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.637 7.786 0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.839 7.394 -1.934 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.020 8.905 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.563 5.506 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.600 9.035 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.431 4.298 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.455 7.829 -2.275 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.407 5.910 -1.927 1.00 0.00 H new ATOM 692 N HIS A 44 -11.375 10.782 0.024 1.00 0.00 N ATOM 693 CA HIS A 44 -10.312 11.668 0.499 1.00 0.00 C ATOM 694 C HIS A 44 -10.656 12.278 1.851 1.00 0.00 C ATOM 695 O HIS A 44 -9.836 12.966 2.459 1.00 0.00 O ATOM 696 CB HIS A 44 -10.012 12.766 -0.520 1.00 0.00 C ATOM 697 CG HIS A 44 -9.272 12.273 -1.726 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.903 12.362 -1.860 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.718 11.679 -2.856 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.542 11.847 -3.020 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.624 11.424 -3.643 1.00 0.00 N ATOM 0 H HIS A 44 -12.050 11.218 -0.604 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.416 11.059 0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.950 13.221 -0.839 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.426 13.548 -0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.746 11.448 -3.095 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.531 11.783 -3.395 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.644 10.979 -4.561 1.00 0.00 H new ATOM 710 N ASP A 45 -11.867 12.020 2.322 1.00 0.00 N ATOM 711 CA ASP A 45 -12.288 12.500 3.631 1.00 0.00 C ATOM 712 C ASP A 45 -11.967 11.477 4.709 1.00 0.00 C ATOM 713 O ASP A 45 -11.805 11.822 5.880 1.00 0.00 O ATOM 714 CB ASP A 45 -13.782 12.819 3.642 1.00 0.00 C ATOM 715 CG ASP A 45 -14.126 13.999 2.761 1.00 0.00 C ATOM 716 OD1 ASP A 45 -13.876 15.150 3.175 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.660 13.786 1.654 1.00 0.00 O ATOM 0 H ASP A 45 -12.574 11.483 1.820 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.736 13.416 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.340 11.944 3.307 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.099 13.027 4.664 1.00 0.00 H new ATOM 722 N ILE A 46 -11.893 10.216 4.315 1.00 0.00 N ATOM 723 CA ILE A 46 -11.514 9.153 5.231 1.00 0.00 C ATOM 724 C ILE A 46 -10.019 8.896 5.128 1.00 0.00 C ATOM 725 O ILE A 46 -9.322 8.788 6.135 1.00 0.00 O ATOM 726 CB ILE A 46 -12.297 7.839 4.961 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.740 7.934 5.455 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.629 6.646 5.632 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.596 8.950 4.733 1.00 0.00 C ATOM 0 H ILE A 46 -12.091 9.903 3.365 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.767 9.481 6.239 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.295 7.695 3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.207 6.954 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.729 8.179 6.517 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.202 5.743 5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.617 6.531 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.589 6.809 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.601 8.944 5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.160 9.942 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.645 8.698 3.674 1.00 0.00 H new ATOM 741 N ILE A 47 -9.527 8.826 3.903 1.00 0.00 N ATOM 742 CA ILE A 47 -8.118 8.584 3.666 1.00 0.00 C ATOM 743 C ILE A 47 -7.342 9.897 3.719 1.00 0.00 C ATOM 744 O ILE A 47 -7.419 10.714 2.799 1.00 0.00 O ATOM 745 CB ILE A 47 -7.882 7.915 2.301 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.766 6.675 2.138 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.417 7.546 2.155 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.388 5.537 3.047 1.00 0.00 C ATOM 0 H ILE A 47 -10.086 8.934 3.056 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.766 7.911 4.448 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.151 8.623 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.803 6.952 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.712 6.335 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.256 7.073 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.806 8.446 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.135 6.854 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.058 4.695 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.362 5.232 2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.470 5.858 4.085 1.00 0.00 H new ATOM 760 N LYS A 48 -6.605 10.100 4.802 1.00 0.00 N ATOM 761 CA LYS A 48 -5.844 11.327 4.980 1.00 0.00 C ATOM 762 C LYS A 48 -4.444 11.204 4.391 1.00 0.00 C ATOM 763 O LYS A 48 -3.839 12.194 3.983 1.00 0.00 O ATOM 764 CB LYS A 48 -5.782 11.699 6.458 1.00 0.00 C ATOM 765 CG LYS A 48 -7.130 12.135 7.003 1.00 0.00 C ATOM 766 CD LYS A 48 -7.617 13.398 6.311 1.00 0.00 C ATOM 767 CE LYS A 48 -9.101 13.598 6.496 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.567 14.862 5.870 1.00 0.00 N ATOM 0 H LYS A 48 -6.518 9.432 5.568 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.355 12.124 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.421 10.844 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.060 12.503 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.858 11.336 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.052 12.311 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.081 14.260 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.387 13.342 5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.639 12.756 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.337 13.610 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.591 14.965 6.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.072 15.667 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.365 14.840 4.850 1.00 0.00 H new ATOM 782 N HIS A 49 -3.933 9.985 4.351 1.00 0.00 N ATOM 783 CA HIS A 49 -2.656 9.709 3.700 1.00 0.00 C ATOM 784 C HIS A 49 -2.831 8.680 2.581 1.00 0.00 C ATOM 785 O HIS A 49 -2.417 7.529 2.724 1.00 0.00 O ATOM 786 CB HIS A 49 -1.620 9.210 4.711 1.00 0.00 C ATOM 787 CG HIS A 49 -1.097 10.280 5.620 1.00 0.00 C ATOM 788 ND1 HIS A 49 0.064 10.978 5.371 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.581 10.768 6.787 1.00 0.00 C ATOM 790 CE1 HIS A 49 0.272 11.845 6.344 1.00 0.00 C ATOM 791 NE2 HIS A 49 -0.713 11.738 7.215 1.00 0.00 N ATOM 0 H HIS A 49 -4.382 9.166 4.762 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.295 10.642 3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.067 8.420 5.315 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.784 8.765 4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.484 10.451 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.107 12.526 6.415 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.812 12.288 8.068 1.00 0.00 H new ATOM 800 N PRO A 50 -3.480 9.066 1.461 1.00 0.00 N ATOM 801 CA PRO A 50 -3.618 8.189 0.297 1.00 0.00 C ATOM 802 C PRO A 50 -2.277 7.947 -0.381 1.00 0.00 C ATOM 803 O PRO A 50 -1.708 8.846 -1.005 1.00 0.00 O ATOM 804 CB PRO A 50 -4.563 8.953 -0.635 1.00 0.00 C ATOM 805 CG PRO A 50 -4.427 10.378 -0.233 1.00 0.00 C ATOM 806 CD PRO A 50 -4.148 10.366 1.246 1.00 0.00 C ATOM 0 HA PRO A 50 -3.994 7.203 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.289 8.809 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.591 8.608 -0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.617 10.862 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.338 10.935 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.509 11.199 1.541 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.066 10.447 1.828 1.00 0.00 H new ATOM 814 N MET A 51 -1.765 6.743 -0.231 1.00 0.00 N ATOM 815 CA MET A 51 -0.487 6.385 -0.811 1.00 0.00 C ATOM 816 C MET A 51 -0.590 5.047 -1.514 1.00 0.00 C ATOM 817 O MET A 51 -1.357 4.183 -1.101 1.00 0.00 O ATOM 818 CB MET A 51 0.601 6.351 0.272 1.00 0.00 C ATOM 819 CG MET A 51 1.946 5.823 -0.216 1.00 0.00 C ATOM 820 SD MET A 51 2.541 6.702 -1.678 1.00 0.00 S ATOM 821 CE MET A 51 2.497 8.389 -1.090 1.00 0.00 C ATOM 0 H MET A 51 -2.217 5.992 0.291 1.00 0.00 H new ATOM 0 HA MET A 51 -0.210 7.140 -1.547 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.739 7.358 0.666 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.257 5.730 1.099 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.681 5.914 0.584 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.855 4.761 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.146 9.007 -1.710 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.476 8.767 -1.145 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.842 8.423 -0.056 1.00 0.00 H new ATOM 831 N ASP A 52 0.183 4.890 -2.575 1.00 0.00 N ATOM 832 CA ASP A 52 0.167 3.672 -3.370 1.00 0.00 C ATOM 833 C ASP A 52 1.597 3.263 -3.683 1.00 0.00 C ATOM 834 O ASP A 52 2.477 4.121 -3.716 1.00 0.00 O ATOM 835 CB ASP A 52 -0.617 3.883 -4.673 1.00 0.00 C ATOM 836 CG ASP A 52 -1.948 4.572 -4.448 1.00 0.00 C ATOM 837 OD1 ASP A 52 -2.057 5.773 -4.782 1.00 0.00 O ATOM 838 OD2 ASP A 52 -2.880 3.930 -3.926 1.00 0.00 O ATOM 0 H ASP A 52 0.836 5.598 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.326 2.883 -2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.016 4.477 -5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.788 2.918 -5.150 1.00 0.00 H new ATOM 843 N LEU A 53 1.847 1.981 -3.907 1.00 0.00 N ATOM 844 CA LEU A 53 3.216 1.505 -4.118 1.00 0.00 C ATOM 845 C LEU A 53 3.896 2.219 -5.284 1.00 0.00 C ATOM 846 O LEU A 53 5.073 2.578 -5.197 1.00 0.00 O ATOM 847 CB LEU A 53 3.241 -0.007 -4.320 1.00 0.00 C ATOM 848 CG LEU A 53 3.145 -0.814 -3.030 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.894 -2.269 -3.342 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.407 -0.664 -2.205 1.00 0.00 C ATOM 0 H LEU A 53 1.132 1.255 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 53 3.782 1.743 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.415 -0.288 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.162 -0.278 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 53 2.308 -0.429 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.828 -2.834 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.959 -2.367 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.714 -2.658 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.315 -1.249 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.262 -1.021 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.553 0.386 -1.952 1.00 0.00 H new ATOM 862 N SER A 54 3.151 2.458 -6.356 1.00 0.00 N ATOM 863 CA SER A 54 3.695 3.171 -7.507 1.00 0.00 C ATOM 864 C SER A 54 4.119 4.597 -7.124 1.00 0.00 C ATOM 865 O SER A 54 5.085 5.133 -7.669 1.00 0.00 O ATOM 866 CB SER A 54 2.679 3.203 -8.647 1.00 0.00 C ATOM 867 OG SER A 54 2.342 1.890 -9.067 1.00 0.00 O ATOM 0 H SER A 54 2.177 2.172 -6.454 1.00 0.00 H new ATOM 0 HA SER A 54 4.581 2.635 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.780 3.727 -8.322 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.088 3.763 -9.488 1.00 0.00 H new ATOM 0 HG SER A 54 1.671 1.514 -8.460 1.00 0.00 H new ATOM 873 N THR A 55 3.410 5.195 -6.170 1.00 0.00 N ATOM 874 CA THR A 55 3.724 6.539 -5.702 1.00 0.00 C ATOM 875 C THR A 55 4.914 6.510 -4.751 1.00 0.00 C ATOM 876 O THR A 55 5.751 7.415 -4.761 1.00 0.00 O ATOM 877 CB THR A 55 2.525 7.178 -4.987 1.00 0.00 C ATOM 878 OG1 THR A 55 1.310 6.806 -5.651 1.00 0.00 O ATOM 879 CG2 THR A 55 2.658 8.692 -4.984 1.00 0.00 C ATOM 0 H THR A 55 2.610 4.766 -5.705 1.00 0.00 H new ATOM 0 HA THR A 55 3.970 7.138 -6.579 1.00 0.00 H new ATOM 0 HB THR A 55 2.502 6.822 -3.957 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.547 7.214 -5.191 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.801 9.132 -4.474 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.574 8.976 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.695 9.056 -6.011 1.00 0.00 H new ATOM 887 N VAL A 56 4.993 5.460 -3.938 1.00 0.00 N ATOM 888 CA VAL A 56 6.135 5.267 -3.053 1.00 0.00 C ATOM 889 C VAL A 56 7.399 5.182 -3.887 1.00 0.00 C ATOM 890 O VAL A 56 8.405 5.833 -3.594 1.00 0.00 O ATOM 891 CB VAL A 56 6.004 3.986 -2.202 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.254 3.768 -1.362 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.781 4.057 -1.306 1.00 0.00 C ATOM 0 H VAL A 56 4.281 4.732 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 56 6.174 6.116 -2.371 1.00 0.00 H new ATOM 0 HB VAL A 56 5.888 3.142 -2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.141 2.860 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.120 3.669 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.398 4.619 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.709 3.144 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.868 4.914 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.886 4.164 -1.919 1.00 0.00 H new ATOM 903 N LYS A 57 7.316 4.398 -4.950 1.00 0.00 N ATOM 904 CA LYS A 57 8.428 4.216 -5.863 1.00 0.00 C ATOM 905 C LYS A 57 8.739 5.519 -6.574 1.00 0.00 C ATOM 906 O LYS A 57 9.899 5.873 -6.751 1.00 0.00 O ATOM 907 CB LYS A 57 8.107 3.138 -6.891 1.00 0.00 C ATOM 908 CG LYS A 57 9.246 2.158 -7.095 1.00 0.00 C ATOM 909 CD LYS A 57 8.977 1.196 -8.234 1.00 0.00 C ATOM 910 CE LYS A 57 10.018 0.094 -8.253 1.00 0.00 C ATOM 911 NZ LYS A 57 9.834 -0.838 -9.397 1.00 0.00 N ATOM 0 H LYS A 57 6.479 3.873 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 57 9.297 3.904 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.218 2.593 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.867 3.611 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.165 2.709 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.407 1.594 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.982 0.763 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.989 1.733 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.012 0.538 -8.305 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.968 -0.466 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.569 -1.573 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.896 -1.283 -9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.908 -0.310 -10.290 1.00 0.00 H new ATOM 925 N ARG A 58 7.685 6.221 -6.969 1.00 0.00 N ATOM 926 CA ARG A 58 7.807 7.524 -7.616 1.00 0.00 C ATOM 927 C ARG A 58 8.635 8.480 -6.762 1.00 0.00 C ATOM 928 O ARG A 58 9.605 9.077 -7.229 1.00 0.00 O ATOM 929 CB ARG A 58 6.414 8.114 -7.839 1.00 0.00 C ATOM 930 CG ARG A 58 6.425 9.467 -8.537 1.00 0.00 C ATOM 931 CD ARG A 58 5.055 10.123 -8.522 1.00 0.00 C ATOM 932 NE ARG A 58 5.061 11.421 -9.196 1.00 0.00 N ATOM 933 CZ ARG A 58 4.248 12.436 -8.885 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.359 12.314 -7.904 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.325 13.574 -9.559 1.00 0.00 N ATOM 0 H ARG A 58 6.722 5.905 -6.851 1.00 0.00 H new ATOM 0 HA ARG A 58 8.312 7.390 -8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.824 7.415 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.914 8.216 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.146 10.122 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.756 9.341 -9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.333 9.466 -9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.726 10.252 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 58 5.730 11.561 -9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.293 11.441 -7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.743 13.094 -7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.004 13.675 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.706 14.349 -9.323 1.00 0.00 H new ATOM 949 N LYS A 59 8.250 8.602 -5.502 1.00 0.00 N ATOM 950 CA LYS A 59 8.929 9.492 -4.570 1.00 0.00 C ATOM 951 C LYS A 59 10.315 8.951 -4.222 1.00 0.00 C ATOM 952 O LYS A 59 11.233 9.714 -3.913 1.00 0.00 O ATOM 953 CB LYS A 59 8.072 9.670 -3.314 1.00 0.00 C ATOM 954 CG LYS A 59 6.736 10.346 -3.588 1.00 0.00 C ATOM 955 CD LYS A 59 5.724 10.124 -2.465 1.00 0.00 C ATOM 956 CE LYS A 59 6.278 10.489 -1.091 1.00 0.00 C ATOM 957 NZ LYS A 59 6.597 9.279 -0.278 1.00 0.00 N ATOM 0 H LYS A 59 7.465 8.092 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 59 9.065 10.467 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.892 8.694 -2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.627 10.260 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.895 11.416 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.325 9.965 -4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.832 10.719 -2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.415 9.079 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.178 11.093 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.551 11.103 -0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.153 9.558 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.714 8.826 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.147 8.609 -0.853 1.00 0.00 H new ATOM 971 N MET A 60 10.468 7.630 -4.283 1.00 0.00 N ATOM 972 CA MET A 60 11.770 7.003 -4.086 1.00 0.00 C ATOM 973 C MET A 60 12.681 7.319 -5.268 1.00 0.00 C ATOM 974 O MET A 60 13.881 7.518 -5.099 1.00 0.00 O ATOM 975 CB MET A 60 11.636 5.482 -3.929 1.00 0.00 C ATOM 976 CG MET A 60 12.966 4.770 -3.750 1.00 0.00 C ATOM 977 SD MET A 60 12.861 3.016 -4.147 1.00 0.00 S ATOM 978 CE MET A 60 11.543 2.523 -3.046 1.00 0.00 C ATOM 0 H MET A 60 9.708 6.976 -4.467 1.00 0.00 H new ATOM 0 HA MET A 60 12.204 7.404 -3.170 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.000 5.268 -3.070 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.132 5.077 -4.807 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.716 5.240 -4.386 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.303 4.888 -2.720 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.664 1.473 -2.781 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.577 3.132 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.583 2.663 -3.542 1.00 0.00 H new ATOM 988 N GLU A 61 12.095 7.377 -6.465 1.00 0.00 N ATOM 989 CA GLU A 61 12.841 7.725 -7.672 1.00 0.00 C ATOM 990 C GLU A 61 13.329 9.163 -7.607 1.00 0.00 C ATOM 991 O GLU A 61 14.398 9.492 -8.117 1.00 0.00 O ATOM 992 CB GLU A 61 11.983 7.530 -8.924 1.00 0.00 C ATOM 993 CG GLU A 61 11.713 6.075 -9.262 1.00 0.00 C ATOM 994 CD GLU A 61 11.082 5.900 -10.627 1.00 0.00 C ATOM 995 OE1 GLU A 61 9.927 6.346 -10.824 1.00 0.00 O ATOM 996 OE2 GLU A 61 11.733 5.303 -11.509 1.00 0.00 O ATOM 0 H GLU A 61 11.105 7.187 -6.623 1.00 0.00 H new ATOM 0 HA GLU A 61 13.702 7.059 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.032 8.043 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.480 8.004 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.649 5.518 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.056 5.646 -8.505 1.00 0.00 H new ATOM 1003 N ASN A 62 12.543 10.011 -6.960 1.00 0.00 N ATOM 1004 CA ASN A 62 12.918 11.408 -6.771 1.00 0.00 C ATOM 1005 C ASN A 62 13.868 11.522 -5.591 1.00 0.00 C ATOM 1006 O ASN A 62 14.352 12.607 -5.261 1.00 0.00 O ATOM 1007 CB ASN A 62 11.686 12.293 -6.547 1.00 0.00 C ATOM 1008 CG ASN A 62 10.958 12.655 -7.835 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.379 13.738 -7.944 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.975 11.763 -8.815 1.00 0.00 N ATOM 0 H ASN A 62 11.641 9.758 -6.556 1.00 0.00 H new ATOM 0 HA ASN A 62 13.415 11.757 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.994 11.778 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.993 13.209 -6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.499 11.963 -9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.464 10.877 -8.690 1.00 0.00 H new ATOM 1017 N ARG A 63 14.120 10.370 -4.972 1.00 0.00 N ATOM 1018 CA ARG A 63 15.075 10.232 -3.883 1.00 0.00 C ATOM 1019 C ARG A 63 14.734 11.157 -2.726 1.00 0.00 C ATOM 1020 O ARG A 63 15.618 11.709 -2.071 1.00 0.00 O ATOM 1021 CB ARG A 63 16.488 10.490 -4.402 1.00 0.00 C ATOM 1022 CG ARG A 63 16.842 9.645 -5.616 1.00 0.00 C ATOM 1023 CD ARG A 63 17.010 8.174 -5.262 1.00 0.00 C ATOM 1024 NE ARG A 63 16.937 7.314 -6.443 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.974 7.034 -7.235 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.158 7.590 -7.015 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.821 6.204 -8.258 1.00 0.00 N ATOM 0 H ARG A 63 13.657 9.495 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 63 15.023 9.213 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.587 11.544 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.204 10.288 -3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.061 9.749 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.765 10.018 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.970 8.028 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.236 7.881 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 63 16.034 6.901 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.281 8.237 -6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.946 7.371 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.911 5.780 -8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.613 5.990 -8.864 1.00 0.00 H new ATOM 1041 N ASP A 64 13.437 11.309 -2.481 1.00 0.00 N ATOM 1042 CA ASP A 64 12.952 12.091 -1.343 1.00 0.00 C ATOM 1043 C ASP A 64 13.237 11.373 -0.032 1.00 0.00 C ATOM 1044 O ASP A 64 13.264 11.983 1.038 1.00 0.00 O ATOM 1045 CB ASP A 64 11.447 12.335 -1.462 1.00 0.00 C ATOM 1046 CG ASP A 64 11.119 13.702 -2.015 1.00 0.00 C ATOM 1047 OD1 ASP A 64 10.940 14.640 -1.212 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.029 13.846 -3.250 1.00 0.00 O ATOM 0 H ASP A 64 12.699 10.901 -3.055 1.00 0.00 H new ATOM 0 HA ASP A 64 13.477 13.046 -1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.009 11.573 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.987 12.225 -0.480 1.00 0.00 H new ATOM 1053 N TYR A 65 13.454 10.073 -0.133 1.00 0.00 N ATOM 1054 CA TYR A 65 13.639 9.221 1.031 1.00 0.00 C ATOM 1055 C TYR A 65 15.077 9.296 1.507 1.00 0.00 C ATOM 1056 O TYR A 65 16.000 9.445 0.703 1.00 0.00 O ATOM 1057 CB TYR A 65 13.296 7.765 0.692 1.00 0.00 C ATOM 1058 CG TYR A 65 11.866 7.530 0.250 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.193 6.370 0.607 1.00 0.00 C ATOM 1060 CD2 TYR A 65 11.194 8.453 -0.536 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.893 6.145 0.193 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.902 8.236 -0.945 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.256 7.086 -0.581 1.00 0.00 C ATOM 1064 OH TYR A 65 7.968 6.873 -1.003 1.00 0.00 O ATOM 0 H TYR A 65 13.507 9.578 -1.023 1.00 0.00 H new ATOM 0 HA TYR A 65 12.973 9.571 1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.965 7.424 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.496 7.147 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.692 5.632 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.697 9.361 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.382 5.237 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.396 8.971 -1.553 1.00 0.00 H new ATOM 0 HH TYR A 65 7.970 6.642 -1.955 1.00 0.00 H new ATOM 1074 N ARG A 66 15.262 9.221 2.811 1.00 0.00 N ATOM 1075 CA ARG A 66 16.588 9.215 3.396 1.00 0.00 C ATOM 1076 C ARG A 66 16.949 7.832 3.909 1.00 0.00 C ATOM 1077 O ARG A 66 18.121 7.457 3.913 1.00 0.00 O ATOM 1078 CB ARG A 66 16.678 10.242 4.528 1.00 0.00 C ATOM 1079 CG ARG A 66 16.484 11.683 4.073 1.00 0.00 C ATOM 1080 CD ARG A 66 17.628 12.163 3.184 1.00 0.00 C ATOM 1081 NE ARG A 66 17.679 11.459 1.903 1.00 0.00 N ATOM 1082 CZ ARG A 66 18.773 11.355 1.152 1.00 0.00 C ATOM 1083 NH1 ARG A 66 19.911 11.918 1.539 1.00 0.00 N ATOM 1084 NH2 ARG A 66 18.728 10.676 0.014 1.00 0.00 N ATOM 0 H ARG A 66 14.503 9.163 3.490 1.00 0.00 H new ATOM 0 HA ARG A 66 17.302 9.487 2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.926 10.005 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 66 17.651 10.152 5.010 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.543 11.768 3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.407 12.331 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.518 13.232 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 66 18.573 12.024 3.708 1.00 0.00 H new ATOM 0 HE ARG A 66 16.823 11.020 1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 66 19.951 12.435 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 66 20.745 11.834 0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 66 17.857 10.236 -0.283 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.564 10.594 -0.564 1.00 0.00 H new ATOM 1098 N ASP A 67 15.944 7.064 4.323 1.00 0.00 N ATOM 1099 CA ASP A 67 16.183 5.731 4.856 1.00 0.00 C ATOM 1100 C ASP A 67 15.003 4.832 4.538 1.00 0.00 C ATOM 1101 O ASP A 67 13.931 5.309 4.160 1.00 0.00 O ATOM 1102 CB ASP A 67 16.413 5.766 6.372 1.00 0.00 C ATOM 1103 CG ASP A 67 17.758 6.350 6.760 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.792 5.789 6.350 1.00 0.00 O ATOM 1105 OD2 ASP A 67 17.784 7.358 7.499 1.00 0.00 O ATOM 0 H ASP A 67 14.963 7.342 4.299 1.00 0.00 H new ATOM 0 HA ASP A 67 17.084 5.337 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.622 6.352 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.336 4.753 6.768 1.00 0.00 H new ATOM 1110 N ALA A 68 15.196 3.532 4.711 1.00 0.00 N ATOM 1111 CA ALA A 68 14.155 2.562 4.410 1.00 0.00 C ATOM 1112 C ALA A 68 13.044 2.653 5.434 1.00 0.00 C ATOM 1113 O ALA A 68 11.939 2.170 5.208 1.00 0.00 O ATOM 1114 CB ALA A 68 14.724 1.159 4.382 1.00 0.00 C ATOM 0 H ALA A 68 16.065 3.125 5.058 1.00 0.00 H new ATOM 0 HA ALA A 68 13.748 2.789 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.929 0.448 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.497 1.095 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.156 0.922 5.354 1.00 0.00 H new ATOM 1120 N GLN A 69 13.347 3.283 6.560 1.00 0.00 N ATOM 1121 CA GLN A 69 12.355 3.502 7.592 1.00 0.00 C ATOM 1122 C GLN A 69 11.308 4.479 7.080 1.00 0.00 C ATOM 1123 O GLN A 69 10.116 4.326 7.333 1.00 0.00 O ATOM 1124 CB GLN A 69 12.996 4.056 8.861 1.00 0.00 C ATOM 1125 CG GLN A 69 12.001 4.257 9.985 1.00 0.00 C ATOM 1126 CD GLN A 69 11.632 2.969 10.690 1.00 0.00 C ATOM 1127 OE1 GLN A 69 12.435 2.043 10.789 1.00 0.00 O ATOM 1128 NE2 GLN A 69 10.413 2.905 11.193 1.00 0.00 N ATOM 0 H GLN A 69 14.273 3.650 6.778 1.00 0.00 H new ATOM 0 HA GLN A 69 11.889 2.547 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.779 3.375 9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.477 5.008 8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.418 4.955 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.097 4.716 9.584 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.776 3.695 11.090 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.108 2.065 11.685 1.00 0.00 H new ATOM 1137 N GLU A 70 11.775 5.479 6.341 1.00 0.00 N ATOM 1138 CA GLU A 70 10.894 6.461 5.740 1.00 0.00 C ATOM 1139 C GLU A 70 10.049 5.806 4.660 1.00 0.00 C ATOM 1140 O GLU A 70 8.884 6.155 4.466 1.00 0.00 O ATOM 1141 CB GLU A 70 11.689 7.624 5.158 1.00 0.00 C ATOM 1142 CG GLU A 70 12.468 8.404 6.201 1.00 0.00 C ATOM 1143 CD GLU A 70 13.084 9.659 5.631 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.285 9.713 4.404 1.00 0.00 O ATOM 1145 OE2 GLU A 70 13.363 10.597 6.405 1.00 0.00 O ATOM 0 H GLU A 70 12.765 5.627 6.146 1.00 0.00 H new ATOM 0 HA GLU A 70 10.238 6.856 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.382 7.242 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.006 8.301 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.805 8.668 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.253 7.771 6.614 1.00 0.00 H new ATOM 1152 N PHE A 71 10.649 4.852 3.963 1.00 0.00 N ATOM 1153 CA PHE A 71 9.916 4.042 3.006 1.00 0.00 C ATOM 1154 C PHE A 71 8.857 3.233 3.734 1.00 0.00 C ATOM 1155 O PHE A 71 7.678 3.294 3.389 1.00 0.00 O ATOM 1156 CB PHE A 71 10.858 3.109 2.226 1.00 0.00 C ATOM 1157 CG PHE A 71 10.172 1.876 1.686 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.528 1.903 0.460 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.169 0.692 2.411 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.891 0.774 -0.030 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.535 -0.435 1.928 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.895 -0.393 0.706 1.00 0.00 C ATOM 0 H PHE A 71 11.639 4.622 4.043 1.00 0.00 H new ATOM 0 HA PHE A 71 9.437 4.705 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.300 3.662 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.676 2.804 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.522 2.814 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.670 0.652 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.392 0.808 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.540 -1.348 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.398 -1.273 0.326 1.00 0.00 H new ATOM 1172 N ALA A 72 9.294 2.489 4.752 1.00 0.00 N ATOM 1173 CA ALA A 72 8.406 1.670 5.555 1.00 0.00 C ATOM 1174 C ALA A 72 7.247 2.496 6.072 1.00 0.00 C ATOM 1175 O ALA A 72 6.102 2.065 6.022 1.00 0.00 O ATOM 1176 CB ALA A 72 9.170 1.039 6.710 1.00 0.00 C ATOM 0 H ALA A 72 10.272 2.442 5.036 1.00 0.00 H new ATOM 0 HA ALA A 72 8.006 0.873 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.491 0.427 7.304 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.972 0.414 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.595 1.823 7.337 1.00 0.00 H new ATOM 1182 N ALA A 73 7.564 3.692 6.537 1.00 0.00 N ATOM 1183 CA ALA A 73 6.577 4.632 7.033 1.00 0.00 C ATOM 1184 C ALA A 73 5.488 4.902 5.993 1.00 0.00 C ATOM 1185 O ALA A 73 4.295 4.884 6.308 1.00 0.00 O ATOM 1186 CB ALA A 73 7.283 5.927 7.414 1.00 0.00 C ATOM 0 H ALA A 73 8.522 4.040 6.581 1.00 0.00 H new ATOM 0 HA ALA A 73 6.087 4.203 7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.552 6.643 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.022 5.724 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.781 6.342 6.537 1.00 0.00 H new ATOM 1192 N ASP A 74 5.904 5.116 4.752 1.00 0.00 N ATOM 1193 CA ASP A 74 4.983 5.500 3.683 1.00 0.00 C ATOM 1194 C ASP A 74 4.188 4.291 3.177 1.00 0.00 C ATOM 1195 O ASP A 74 2.970 4.368 2.994 1.00 0.00 O ATOM 1196 CB ASP A 74 5.766 6.149 2.533 1.00 0.00 C ATOM 1197 CG ASP A 74 4.967 7.209 1.794 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.284 8.023 2.460 1.00 0.00 O ATOM 1199 OD2 ASP A 74 5.063 7.277 0.554 1.00 0.00 O ATOM 0 H ASP A 74 6.877 5.031 4.457 1.00 0.00 H new ATOM 0 HA ASP A 74 4.270 6.221 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.676 6.599 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.073 5.376 1.828 1.00 0.00 H new ATOM 1204 N VAL A 75 4.871 3.164 2.978 1.00 0.00 N ATOM 1205 CA VAL A 75 4.214 1.954 2.476 1.00 0.00 C ATOM 1206 C VAL A 75 3.242 1.380 3.507 1.00 0.00 C ATOM 1207 O VAL A 75 2.136 0.960 3.161 1.00 0.00 O ATOM 1208 CB VAL A 75 5.234 0.863 2.047 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.299 0.653 3.102 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.543 -0.459 1.744 1.00 0.00 C ATOM 0 H VAL A 75 5.870 3.062 3.154 1.00 0.00 H new ATOM 0 HA VAL A 75 3.654 2.255 1.591 1.00 0.00 H new ATOM 0 HB VAL A 75 5.713 1.222 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.995 -0.117 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.840 1.586 3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.830 0.339 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.287 -1.199 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.019 -0.808 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.828 -0.318 0.934 1.00 0.00 H new ATOM 1220 N ARG A 76 3.640 1.383 4.774 1.00 0.00 N ATOM 1221 CA ARG A 76 2.780 0.865 5.827 1.00 0.00 C ATOM 1222 C ARG A 76 1.566 1.773 5.996 1.00 0.00 C ATOM 1223 O ARG A 76 0.482 1.315 6.353 1.00 0.00 O ATOM 1224 CB ARG A 76 3.539 0.728 7.152 1.00 0.00 C ATOM 1225 CG ARG A 76 3.870 2.060 7.812 1.00 0.00 C ATOM 1226 CD ARG A 76 4.536 1.890 9.168 1.00 0.00 C ATOM 1227 NE ARG A 76 5.726 1.039 9.119 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.622 0.959 10.108 1.00 0.00 C ATOM 1229 NH1 ARG A 76 6.480 1.707 11.197 1.00 0.00 N ATOM 1230 NH2 ARG A 76 7.659 0.138 10.006 1.00 0.00 N ATOM 0 H ARG A 76 4.543 1.735 5.093 1.00 0.00 H new ATOM 0 HA ARG A 76 2.445 -0.131 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.943 0.130 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.465 0.181 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.527 2.632 7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.955 2.640 7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.813 2.870 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.818 1.462 9.868 1.00 0.00 H new ATOM 0 HE ARG A 76 5.880 0.475 8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.687 2.343 11.279 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.164 1.645 11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.775 -0.435 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.340 0.080 10.763 1.00 0.00 H new ATOM 1244 N LEU A 77 1.754 3.063 5.720 1.00 0.00 N ATOM 1245 CA LEU A 77 0.661 4.024 5.760 1.00 0.00 C ATOM 1246 C LEU A 77 -0.382 3.694 4.698 1.00 0.00 C ATOM 1247 O LEU A 77 -1.579 3.910 4.899 1.00 0.00 O ATOM 1248 CB LEU A 77 1.196 5.440 5.553 1.00 0.00 C ATOM 1249 CG LEU A 77 0.952 6.405 6.710 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.500 7.773 6.371 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.532 6.477 7.035 1.00 0.00 C ATOM 0 H LEU A 77 2.657 3.464 5.466 1.00 0.00 H new ATOM 0 HA LEU A 77 0.186 3.967 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.269 5.382 5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.741 5.855 4.653 1.00 0.00 H new ATOM 0 HG LEU A 77 1.473 6.037 7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.320 8.453 7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.572 7.700 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.003 8.153 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.690 7.169 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.080 6.826 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.891 5.487 7.316 1.00 0.00 H new ATOM 1263 N MET A 78 0.078 3.167 3.572 1.00 0.00 N ATOM 1264 CA MET A 78 -0.822 2.709 2.522 1.00 0.00 C ATOM 1265 C MET A 78 -1.701 1.562 3.025 1.00 0.00 C ATOM 1266 O MET A 78 -2.927 1.619 2.920 1.00 0.00 O ATOM 1267 CB MET A 78 -0.030 2.295 1.279 1.00 0.00 C ATOM 1268 CG MET A 78 -0.861 1.563 0.235 1.00 0.00 C ATOM 1269 SD MET A 78 -0.703 -0.225 0.365 1.00 0.00 S ATOM 1270 CE MET A 78 0.998 -0.439 -0.153 1.00 0.00 C ATOM 0 H MET A 78 1.069 3.046 3.362 1.00 0.00 H new ATOM 0 HA MET A 78 -1.478 3.534 2.244 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.405 3.185 0.824 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.798 1.655 1.584 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.909 1.842 0.347 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.552 1.881 -0.761 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.077 -1.323 -0.785 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.321 0.438 -0.714 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.633 -0.562 0.724 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.081 0.531 3.592 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.846 -0.573 4.170 1.00 0.00 C ATOM 1282 C PHE A 79 -2.772 -0.059 5.282 1.00 0.00 C ATOM 1283 O PHE A 79 -3.909 -0.518 5.432 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.929 -1.666 4.723 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.051 -2.317 3.689 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.595 -2.875 2.543 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.319 -2.376 3.871 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.215 -3.475 1.595 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.133 -2.975 2.930 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.585 -3.525 1.790 1.00 0.00 C ATOM 0 H PHE A 79 -0.068 0.435 3.664 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.447 -1.007 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.298 -1.236 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.542 -2.433 5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.663 -2.841 2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.758 -1.948 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.221 -3.904 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.201 -3.013 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.221 -3.992 1.053 1.00 0.00 H new ATOM 1300 N SER A 80 -2.279 0.917 6.040 1.00 0.00 N ATOM 1301 CA SER A 80 -3.032 1.495 7.143 1.00 0.00 C ATOM 1302 C SER A 80 -4.301 2.198 6.661 1.00 0.00 C ATOM 1303 O SER A 80 -5.370 2.023 7.251 1.00 0.00 O ATOM 1304 CB SER A 80 -2.154 2.475 7.926 1.00 0.00 C ATOM 1305 OG SER A 80 -1.019 1.817 8.473 1.00 0.00 O ATOM 0 H SER A 80 -1.354 1.325 5.907 1.00 0.00 H new ATOM 0 HA SER A 80 -3.335 0.677 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.829 3.282 7.270 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.736 2.930 8.727 1.00 0.00 H new ATOM 0 HG SER A 80 -0.426 1.529 7.747 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.200 2.983 5.587 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.362 3.726 5.107 1.00 0.00 C ATOM 1313 C ASN A 81 -6.430 2.772 4.576 1.00 0.00 C ATOM 1314 O ASN A 81 -7.625 3.048 4.693 1.00 0.00 O ATOM 1315 CB ASN A 81 -4.999 4.803 4.059 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.627 4.263 2.690 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.485 3.829 1.926 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.356 4.359 2.340 1.00 0.00 N ATOM 0 H ASN A 81 -3.346 3.118 5.045 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.769 4.263 5.964 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.845 5.481 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.165 5.393 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.060 4.068 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.671 4.725 3.002 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.005 1.629 4.039 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.966 0.614 3.581 1.00 0.00 C ATOM 1327 C CYS A 82 -7.812 0.118 4.752 1.00 0.00 C ATOM 1328 O CYS A 82 -9.035 -0.017 4.626 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.292 -0.587 2.887 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.410 -1.973 2.577 1.00 0.00 S ATOM 0 H CYS A 82 -5.024 1.381 3.910 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.599 1.102 2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.868 -0.256 1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.463 -0.933 3.504 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.755 -2.940 2.006 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.169 -0.134 5.898 1.00 0.00 N ATOM 1337 CA TYR A 83 -7.898 -0.603 7.078 1.00 0.00 C ATOM 1338 C TYR A 83 -8.823 0.480 7.623 1.00 0.00 C ATOM 1339 O TYR A 83 -9.819 0.173 8.278 1.00 0.00 O ATOM 1340 CB TYR A 83 -6.959 -1.033 8.208 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.062 -2.219 7.899 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.529 -3.301 7.159 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.752 -2.272 8.381 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.720 -4.394 6.908 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -3.947 -3.359 8.129 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.432 -4.416 7.396 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.625 -5.498 7.151 1.00 0.00 O ATOM 0 H TYR A 83 -6.164 -0.023 6.031 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.478 -1.464 6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.330 -0.184 8.476 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.561 -1.274 9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.538 -3.287 6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.365 -1.447 8.961 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.096 -5.227 6.332 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -2.935 -3.382 8.507 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.841 -5.461 7.738 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.492 1.741 7.361 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.331 2.851 7.803 1.00 0.00 C ATOM 1359 C LYS A 84 -10.654 2.836 7.071 1.00 0.00 C ATOM 1360 O LYS A 84 -11.722 2.950 7.676 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.660 4.201 7.542 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.437 4.482 8.397 1.00 0.00 C ATOM 1363 CD LYS A 84 -6.814 5.825 8.039 1.00 0.00 C ATOM 1364 CE LYS A 84 -7.824 6.969 8.110 1.00 0.00 C ATOM 1365 NZ LYS A 84 -8.362 7.163 9.484 1.00 0.00 N ATOM 0 H LYS A 84 -7.655 2.019 6.849 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.486 2.726 8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.371 4.250 6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.391 4.992 7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.717 4.477 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.703 3.689 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.986 6.031 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.397 5.773 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.349 7.891 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.647 6.767 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.043 7.949 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.839 6.293 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.581 7.382 10.135 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.566 2.685 5.763 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.719 2.823 4.900 1.00 0.00 C ATOM 1381 C TYR A 85 -12.601 1.586 4.944 1.00 0.00 C ATOM 1382 O TYR A 85 -13.773 1.651 5.316 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.265 3.071 3.466 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.411 3.398 2.544 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -12.984 4.651 2.606 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.930 2.478 1.634 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.042 5.000 1.796 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.987 2.815 0.817 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.539 4.080 0.902 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.599 4.423 0.098 1.00 0.00 O ATOM 0 H TYR A 85 -9.699 2.465 5.273 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.303 3.671 5.258 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.547 3.891 3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.746 2.187 3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.594 5.375 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.499 1.490 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.477 5.986 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.382 2.096 0.115 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.415 3.996 0.433 1.00 0.00 H new ATOM 1400 N ASN A 86 -12.022 0.460 4.572 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.777 -0.767 4.401 1.00 0.00 C ATOM 1402 C ASN A 86 -12.948 -1.477 5.736 1.00 0.00 C ATOM 1403 O ASN A 86 -11.982 -1.640 6.485 1.00 0.00 O ATOM 1404 CB ASN A 86 -12.065 -1.685 3.400 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.849 -1.027 2.053 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.700 -1.109 1.166 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.700 -0.392 1.885 1.00 0.00 N ATOM 0 H ASN A 86 -11.024 0.370 4.381 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.765 -0.518 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.101 -1.986 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.652 -2.594 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.490 0.055 0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.024 -0.350 2.648 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.189 -1.876 6.072 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.466 -2.634 7.292 1.00 0.00 C ATOM 1416 C PRO A 87 -13.674 -3.944 7.339 1.00 0.00 C ATOM 1417 O PRO A 87 -13.292 -4.485 6.299 1.00 0.00 O ATOM 1418 CB PRO A 87 -15.976 -2.910 7.239 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.416 -2.564 5.858 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.412 -1.593 5.304 1.00 0.00 C ATOM 0 HA PRO A 87 -14.171 -2.083 8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.188 -3.955 7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.507 -2.310 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.471 -3.458 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.412 -2.122 5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.257 -1.744 4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.738 -0.561 5.437 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.420 -4.449 8.566 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.514 -5.584 8.837 1.00 0.00 C ATOM 1430 C PRO A 88 -12.707 -6.798 7.926 1.00 0.00 C ATOM 1431 O PRO A 88 -11.768 -7.570 7.723 1.00 0.00 O ATOM 1432 CB PRO A 88 -12.819 -5.965 10.294 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.006 -5.151 10.694 1.00 0.00 C ATOM 1434 CD PRO A 88 -13.996 -3.939 9.815 1.00 0.00 C ATOM 0 HA PRO A 88 -11.483 -5.284 8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.029 -7.031 10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.966 -5.754 10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -14.928 -5.718 10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.949 -4.870 11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.999 -3.540 9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.394 -3.136 10.240 1.00 0.00 H new ATOM 1442 N ASP A 89 -13.905 -6.983 7.392 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.149 -8.076 6.453 1.00 0.00 C ATOM 1444 C ASP A 89 -14.465 -7.524 5.070 1.00 0.00 C ATOM 1445 O ASP A 89 -15.628 -7.368 4.697 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.291 -8.989 6.927 1.00 0.00 C ATOM 1447 CG ASP A 89 -15.452 -10.217 6.044 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -14.767 -11.232 6.298 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.263 -10.177 5.093 1.00 0.00 O ATOM 0 H ASP A 89 -14.718 -6.399 7.588 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.240 -8.675 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.099 -9.304 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.224 -8.426 6.936 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.421 -7.197 4.324 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.575 -6.757 2.947 1.00 0.00 C ATOM 1456 C HIS A 90 -12.334 -7.161 2.158 1.00 0.00 C ATOM 1457 O HIS A 90 -11.242 -7.200 2.713 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.766 -5.233 2.864 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.467 -4.770 1.600 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -13.851 -4.784 0.366 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.733 -4.301 1.366 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.690 -4.352 -0.554 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.834 -4.055 0.021 1.00 0.00 N ATOM 0 H HIS A 90 -12.455 -7.228 4.651 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.463 -7.229 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.340 -4.901 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.791 -4.750 2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.507 -4.153 2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.473 -4.258 -1.608 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.662 -3.699 -0.456 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.497 -7.463 0.884 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.401 -7.979 0.055 1.00 0.00 C ATOM 1474 C ASP A 91 -10.100 -7.184 0.212 1.00 0.00 C ATOM 1475 O ASP A 91 -9.028 -7.770 0.375 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.825 -7.986 -1.415 1.00 0.00 C ATOM 1477 CG ASP A 91 -13.000 -8.915 -1.678 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -12.877 -9.814 -2.533 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -14.046 -8.764 -1.015 1.00 0.00 O ATOM 0 H ASP A 91 -13.383 -7.362 0.388 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.196 -8.993 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.092 -6.973 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.980 -8.291 -2.032 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.198 -5.858 0.199 1.00 0.00 N ATOM 1485 CA VAL A 92 -9.011 -5.002 0.210 1.00 0.00 C ATOM 1486 C VAL A 92 -8.245 -5.102 1.525 1.00 0.00 C ATOM 1487 O VAL A 92 -7.031 -4.920 1.546 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.347 -3.517 -0.066 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.396 -2.940 -1.103 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.789 -3.357 -0.511 1.00 0.00 C ATOM 0 H VAL A 92 -11.083 -5.352 0.181 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.382 -5.372 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.221 -2.963 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.647 -1.895 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.372 -3.009 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.487 -3.502 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.997 -2.304 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.953 -3.927 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.454 -3.725 0.270 1.00 0.00 H new ATOM 1500 N VAL A 93 -8.935 -5.409 2.620 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.262 -5.498 3.911 1.00 0.00 C ATOM 1502 C VAL A 93 -7.544 -6.836 4.037 1.00 0.00 C ATOM 1503 O VAL A 93 -6.470 -6.922 4.628 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.222 -5.300 5.114 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.025 -4.023 4.957 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.152 -6.484 5.299 1.00 0.00 C ATOM 0 H VAL A 93 -9.937 -5.597 2.641 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.541 -4.681 3.943 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.603 -5.222 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.691 -3.905 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.347 -3.171 4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.615 -4.074 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.806 -6.303 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.755 -6.617 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.564 -7.384 5.478 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.133 -7.873 3.455 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.516 -9.189 3.448 1.00 0.00 C ATOM 1518 C ALA A 94 -6.277 -9.180 2.562 1.00 0.00 C ATOM 1519 O ALA A 94 -5.240 -9.742 2.915 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.511 -10.240 2.979 1.00 0.00 C ATOM 0 H ALA A 94 -9.036 -7.826 2.983 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.212 -9.442 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.033 -11.220 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.369 -10.254 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.845 -10.000 1.970 1.00 0.00 H new ATOM 1526 N MET A 95 -6.388 -8.513 1.418 1.00 0.00 N ATOM 1527 CA MET A 95 -5.262 -8.371 0.504 1.00 0.00 C ATOM 1528 C MET A 95 -4.175 -7.495 1.128 1.00 0.00 C ATOM 1529 O MET A 95 -2.984 -7.751 0.949 1.00 0.00 O ATOM 1530 CB MET A 95 -5.721 -7.793 -0.845 1.00 0.00 C ATOM 1531 CG MET A 95 -6.631 -8.729 -1.639 1.00 0.00 C ATOM 1532 SD MET A 95 -6.956 -8.144 -3.318 1.00 0.00 S ATOM 1533 CE MET A 95 -8.481 -7.233 -3.090 1.00 0.00 C ATOM 0 H MET A 95 -7.247 -8.062 1.102 1.00 0.00 H new ATOM 0 HA MET A 95 -4.843 -9.360 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.246 -6.855 -0.668 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.843 -7.558 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.173 -9.717 -1.687 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.577 -8.841 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.306 -7.788 -3.536 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.669 -7.098 -2.025 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.398 -6.258 -3.570 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.591 -6.482 1.892 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.643 -5.598 2.571 1.00 0.00 C ATOM 1545 C ALA A 96 -2.914 -6.345 3.679 1.00 0.00 C ATOM 1546 O ALA A 96 -1.739 -6.098 3.945 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.353 -4.378 3.144 1.00 0.00 C ATOM 0 H ALA A 96 -5.572 -6.255 2.055 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.913 -5.260 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.627 -3.736 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.833 -3.824 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.108 -4.700 3.862 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.618 -7.273 4.312 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.069 -8.003 5.443 1.00 0.00 C ATOM 1555 C ARG A 97 -2.082 -9.069 4.980 1.00 0.00 C ATOM 1556 O ARG A 97 -1.039 -9.272 5.599 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.188 -8.647 6.255 1.00 0.00 C ATOM 1558 CG ARG A 97 -3.757 -9.029 7.657 1.00 0.00 C ATOM 1559 CD ARG A 97 -4.904 -9.611 8.459 1.00 0.00 C ATOM 1560 NE ARG A 97 -4.531 -9.841 9.851 1.00 0.00 N ATOM 1561 CZ ARG A 97 -5.393 -10.192 10.801 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -6.673 -10.381 10.502 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -4.971 -10.359 12.048 1.00 0.00 N ATOM 0 H ARG A 97 -4.571 -7.537 4.061 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.536 -7.292 6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.030 -7.957 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.542 -9.537 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.946 -9.755 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.364 -8.150 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.756 -8.933 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.223 -10.551 8.008 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.551 -9.726 10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.996 -10.257 9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.333 -10.650 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.987 -10.218 12.277 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.631 -10.628 12.778 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.418 -9.748 3.894 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.541 -10.765 3.326 1.00 0.00 C ATOM 1579 C LYS A 98 -0.257 -10.124 2.789 1.00 0.00 C ATOM 1580 O LYS A 98 0.857 -10.617 3.021 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.270 -11.523 2.215 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.478 -12.690 1.651 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.180 -13.318 0.459 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.356 -14.440 -0.144 1.00 0.00 C ATOM 1585 NZ LYS A 98 -1.101 -15.539 0.822 1.00 0.00 N ATOM 0 H LYS A 98 -3.293 -9.614 3.386 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.267 -11.472 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.219 -11.893 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.504 -10.830 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.487 -12.347 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.334 -13.442 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.151 -13.704 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.367 -12.556 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.874 -14.839 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.404 -14.040 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.685 -16.351 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.442 -15.210 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.997 -15.827 1.265 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.418 -9.020 2.072 1.00 0.00 N ATOM 1600 CA LEU A 99 0.720 -8.241 1.604 1.00 0.00 C ATOM 1601 C LEU A 99 1.506 -7.655 2.774 1.00 0.00 C ATOM 1602 O LEU A 99 2.693 -7.359 2.642 1.00 0.00 O ATOM 1603 CB LEU A 99 0.285 -7.115 0.664 1.00 0.00 C ATOM 1604 CG LEU A 99 0.322 -7.407 -0.847 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.859 -6.197 -1.574 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.194 -8.601 -1.184 1.00 0.00 C ATOM 0 H LEU A 99 -1.327 -8.644 1.802 1.00 0.00 H new ATOM 0 HA LEU A 99 1.364 -8.925 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.733 -6.829 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.919 -6.250 0.857 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.697 -7.636 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.887 -6.399 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.212 -5.341 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.866 -5.977 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.186 -8.765 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.215 -8.411 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.808 -9.487 -0.680 1.00 0.00 H new ATOM 1618 N GLN A 100 0.850 -7.478 3.915 1.00 0.00 N ATOM 1619 CA GLN A 100 1.555 -7.070 5.122 1.00 0.00 C ATOM 1620 C GLN A 100 2.535 -8.165 5.524 1.00 0.00 C ATOM 1621 O GLN A 100 3.685 -7.886 5.831 1.00 0.00 O ATOM 1622 CB GLN A 100 0.574 -6.795 6.278 1.00 0.00 C ATOM 1623 CG GLN A 100 1.241 -6.451 7.612 1.00 0.00 C ATOM 1624 CD GLN A 100 0.247 -6.373 8.755 1.00 0.00 C ATOM 1625 OE1 GLN A 100 -0.917 -6.019 8.561 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.699 -6.704 9.953 1.00 0.00 N ATOM 0 H GLN A 100 -0.155 -7.609 4.029 1.00 0.00 H new ATOM 0 HA GLN A 100 2.093 -6.145 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.082 -5.973 5.992 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.057 -7.673 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.996 -7.203 7.842 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.760 -5.497 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.671 -6.992 10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.076 -6.672 10.760 1.00 0.00 H new ATOM 1635 N ASP A 101 2.070 -9.416 5.485 1.00 0.00 N ATOM 1636 CA ASP A 101 2.903 -10.565 5.849 1.00 0.00 C ATOM 1637 C ASP A 101 4.203 -10.586 5.059 1.00 0.00 C ATOM 1638 O ASP A 101 5.273 -10.815 5.624 1.00 0.00 O ATOM 1639 CB ASP A 101 2.156 -11.884 5.628 1.00 0.00 C ATOM 1640 CG ASP A 101 1.159 -12.184 6.723 1.00 0.00 C ATOM 1641 OD1 ASP A 101 1.572 -12.693 7.785 1.00 0.00 O ATOM 1642 OD2 ASP A 101 -0.045 -11.925 6.528 1.00 0.00 O ATOM 0 H ASP A 101 1.120 -9.659 5.205 1.00 0.00 H new ATOM 0 HA ASP A 101 3.137 -10.460 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.636 -11.846 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.877 -12.699 5.567 1.00 0.00 H new ATOM 1647 N VAL A 102 4.117 -10.357 3.752 1.00 0.00 N ATOM 1648 CA VAL A 102 5.324 -10.321 2.929 1.00 0.00 C ATOM 1649 C VAL A 102 6.163 -9.073 3.225 1.00 0.00 C ATOM 1650 O VAL A 102 7.312 -9.189 3.644 1.00 0.00 O ATOM 1651 CB VAL A 102 5.023 -10.434 1.408 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.870 -9.554 0.992 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.251 -10.099 0.577 1.00 0.00 C ATOM 0 H VAL A 102 3.245 -10.197 3.247 1.00 0.00 H new ATOM 0 HA VAL A 102 5.904 -11.202 3.202 1.00 0.00 H new ATOM 0 HB VAL A 102 4.742 -11.471 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.695 -9.665 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.973 -9.847 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.107 -8.514 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.009 -10.187 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.569 -9.079 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.057 -10.790 0.824 1.00 0.00 H new ATOM 1663 N PHE A 103 5.573 -7.896 3.043 1.00 0.00 N ATOM 1664 CA PHE A 103 6.275 -6.624 3.256 1.00 0.00 C ATOM 1665 C PHE A 103 6.929 -6.548 4.645 1.00 0.00 C ATOM 1666 O PHE A 103 8.064 -6.079 4.776 1.00 0.00 O ATOM 1667 CB PHE A 103 5.318 -5.440 3.030 1.00 0.00 C ATOM 1668 CG PHE A 103 5.705 -4.187 3.781 1.00 0.00 C ATOM 1669 CD1 PHE A 103 6.904 -3.548 3.503 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.882 -3.654 4.773 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.279 -2.415 4.196 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.255 -2.517 5.462 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.454 -1.899 5.175 1.00 0.00 C ATOM 0 H PHE A 103 4.603 -7.791 2.746 1.00 0.00 H new ATOM 0 HA PHE A 103 7.081 -6.567 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.279 -5.215 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.313 -5.736 3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.552 -3.942 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.943 -4.136 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.219 -1.932 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.608 -2.112 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.747 -1.012 5.716 1.00 0.00 H new ATOM 1683 N GLU A 104 6.242 -7.039 5.667 1.00 0.00 N ATOM 1684 CA GLU A 104 6.720 -6.947 7.023 1.00 0.00 C ATOM 1685 C GLU A 104 7.900 -7.893 7.220 1.00 0.00 C ATOM 1686 O GLU A 104 8.914 -7.526 7.809 1.00 0.00 O ATOM 1687 CB GLU A 104 5.566 -7.279 7.969 1.00 0.00 C ATOM 1688 CG GLU A 104 5.993 -7.535 9.385 1.00 0.00 C ATOM 1689 CD GLU A 104 6.435 -6.278 10.104 1.00 0.00 C ATOM 1690 OE1 GLU A 104 7.651 -6.076 10.271 1.00 0.00 O ATOM 1691 OE2 GLU A 104 5.559 -5.480 10.508 1.00 0.00 O ATOM 0 H GLU A 104 5.342 -7.509 5.571 1.00 0.00 H new ATOM 0 HA GLU A 104 7.070 -5.938 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.852 -6.455 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.043 -8.158 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.166 -7.989 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.811 -8.256 9.388 1.00 0.00 H new ATOM 1698 N PHE A 105 7.772 -9.103 6.686 1.00 0.00 N ATOM 1699 CA PHE A 105 8.841 -10.090 6.765 1.00 0.00 C ATOM 1700 C PHE A 105 10.066 -9.612 5.990 1.00 0.00 C ATOM 1701 O PHE A 105 11.203 -9.882 6.377 1.00 0.00 O ATOM 1702 CB PHE A 105 8.361 -11.439 6.219 1.00 0.00 C ATOM 1703 CG PHE A 105 9.400 -12.525 6.277 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.703 -13.153 7.475 1.00 0.00 C ATOM 1705 CD2 PHE A 105 10.072 -12.920 5.132 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.657 -14.151 7.529 1.00 0.00 C ATOM 1707 CE2 PHE A 105 11.027 -13.916 5.179 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.320 -14.532 6.378 1.00 0.00 C ATOM 0 H PHE A 105 6.938 -9.423 6.194 1.00 0.00 H new ATOM 0 HA PHE A 105 9.119 -10.216 7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.485 -11.757 6.784 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.043 -11.309 5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.187 -12.859 8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.846 -12.443 4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.884 -14.632 8.469 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.544 -14.212 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.067 -15.311 6.417 1.00 0.00 H new ATOM 1718 N ARG A 106 9.829 -8.895 4.897 1.00 0.00 N ATOM 1719 CA ARG A 106 10.910 -8.355 4.093 1.00 0.00 C ATOM 1720 C ARG A 106 11.668 -7.294 4.870 1.00 0.00 C ATOM 1721 O ARG A 106 12.898 -7.298 4.903 1.00 0.00 O ATOM 1722 CB ARG A 106 10.374 -7.752 2.793 1.00 0.00 C ATOM 1723 CG ARG A 106 9.672 -8.743 1.885 1.00 0.00 C ATOM 1724 CD ARG A 106 10.563 -9.914 1.518 1.00 0.00 C ATOM 1725 NE ARG A 106 9.865 -10.856 0.655 1.00 0.00 N ATOM 1726 CZ ARG A 106 9.826 -12.169 0.833 1.00 0.00 C ATOM 1727 NH1 ARG A 106 10.481 -12.735 1.839 1.00 0.00 N ATOM 1728 NH2 ARG A 106 9.140 -12.916 -0.017 1.00 0.00 N ATOM 0 H ARG A 106 8.895 -8.676 4.550 1.00 0.00 H new ATOM 0 HA ARG A 106 11.586 -9.174 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.680 -6.948 3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.203 -7.302 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.774 -9.113 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.349 -8.235 0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.458 -9.549 1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.892 -10.422 2.424 1.00 0.00 H new ATOM 0 HE ARG A 106 9.367 -10.476 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.021 -12.159 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.444 -13.746 1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.649 -12.480 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.102 -13.928 0.109 1.00 0.00 H new ATOM 1742 N TYR A 107 10.931 -6.395 5.508 1.00 0.00 N ATOM 1743 CA TYR A 107 11.552 -5.334 6.289 1.00 0.00 C ATOM 1744 C TYR A 107 12.206 -5.915 7.543 1.00 0.00 C ATOM 1745 O TYR A 107 13.206 -5.391 8.035 1.00 0.00 O ATOM 1746 CB TYR A 107 10.535 -4.247 6.671 1.00 0.00 C ATOM 1747 CG TYR A 107 11.189 -2.976 7.171 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.531 -1.955 6.291 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.486 -2.805 8.516 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.150 -0.808 6.740 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.100 -1.657 8.971 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.431 -0.663 8.077 1.00 0.00 C ATOM 1753 OH TYR A 107 13.052 0.478 8.520 1.00 0.00 O ATOM 0 H TYR A 107 9.911 -6.378 5.501 1.00 0.00 H new ATOM 0 HA TYR A 107 12.319 -4.868 5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.917 -4.014 5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.869 -4.635 7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.308 -2.062 5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.232 -3.585 9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.413 -0.026 6.043 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.320 -1.538 10.022 1.00 0.00 H new ATOM 0 HH TYR A 107 12.601 0.804 9.327 1.00 0.00 H new ATOM 1763 N ALA A 108 11.637 -7.003 8.051 1.00 0.00 N ATOM 1764 CA ALA A 108 12.200 -7.701 9.201 1.00 0.00 C ATOM 1765 C ALA A 108 13.534 -8.348 8.845 1.00 0.00 C ATOM 1766 O ALA A 108 14.465 -8.364 9.650 1.00 0.00 O ATOM 1767 CB ALA A 108 11.224 -8.749 9.713 1.00 0.00 C ATOM 0 H ALA A 108 10.783 -7.422 7.683 1.00 0.00 H new ATOM 0 HA ALA A 108 12.376 -6.970 9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.658 -9.262 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.294 -8.265 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.020 -9.472 8.924 1.00 0.00 H new ATOM 1773 N LYS A 109 13.615 -8.885 7.635 1.00 0.00 N ATOM 1774 CA LYS A 109 14.847 -9.492 7.149 1.00 0.00 C ATOM 1775 C LYS A 109 15.855 -8.406 6.777 1.00 0.00 C ATOM 1776 O LYS A 109 17.065 -8.608 6.856 1.00 0.00 O ATOM 1777 CB LYS A 109 14.545 -10.393 5.944 1.00 0.00 C ATOM 1778 CG LYS A 109 15.785 -11.051 5.339 1.00 0.00 C ATOM 1779 CD LYS A 109 15.464 -12.301 4.515 1.00 0.00 C ATOM 1780 CE LYS A 109 14.776 -13.374 5.349 1.00 0.00 C ATOM 1781 NZ LYS A 109 15.622 -13.825 6.486 1.00 0.00 N ATOM 0 H LYS A 109 12.841 -8.913 6.971 1.00 0.00 H new ATOM 0 HA LYS A 109 15.281 -10.106 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.845 -11.171 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.048 -9.801 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 109 16.299 -10.328 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 109 16.474 -11.319 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.824 -12.028 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 109 16.385 -12.704 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.832 -12.986 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.536 -14.228 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.186 -14.656 6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 16.568 -14.077 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.704 -13.058 7.184 1.00 0.00 H new ATOM 1795 N MET A 110 15.332 -7.254 6.384 1.00 0.00 N ATOM 1796 CA MET A 110 16.154 -6.103 6.032 1.00 0.00 C ATOM 1797 C MET A 110 16.927 -5.585 7.248 1.00 0.00 C ATOM 1798 O MET A 110 16.335 -5.241 8.270 1.00 0.00 O ATOM 1799 CB MET A 110 15.269 -4.995 5.433 1.00 0.00 C ATOM 1800 CG MET A 110 15.951 -3.643 5.290 1.00 0.00 C ATOM 1801 SD MET A 110 15.787 -2.628 6.770 1.00 0.00 S ATOM 1802 CE MET A 110 16.555 -1.118 6.212 1.00 0.00 C ATOM 0 H MET A 110 14.329 -7.090 6.300 1.00 0.00 H new ATOM 0 HA MET A 110 16.886 -6.413 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.922 -5.317 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.385 -4.876 6.060 1.00 0.00 H new ATOM 0 HG2 MET A 110 17.008 -3.794 5.072 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.523 -3.112 4.440 1.00 0.00 H new ATOM 0 HE1 MET A 110 16.167 -0.278 6.788 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.634 -1.186 6.351 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.334 -0.966 5.156 1.00 0.00 H new ATOM 1812 N PRO A 111 18.266 -5.565 7.169 1.00 0.00 N ATOM 1813 CA PRO A 111 19.112 -5.012 8.216 1.00 0.00 C ATOM 1814 C PRO A 111 19.417 -3.530 7.997 1.00 0.00 C ATOM 1815 O PRO A 111 19.230 -3.000 6.899 1.00 0.00 O ATOM 1816 CB PRO A 111 20.380 -5.846 8.083 1.00 0.00 C ATOM 1817 CG PRO A 111 20.473 -6.179 6.628 1.00 0.00 C ATOM 1818 CD PRO A 111 19.071 -6.105 6.061 1.00 0.00 C ATOM 0 HA PRO A 111 18.645 -5.055 9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.255 -5.289 8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.325 -6.748 8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.133 -5.480 6.115 1.00 0.00 H new ATOM 0 HG3 PRO A 111 20.893 -7.175 6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.029 -5.458 5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.714 -7.087 5.750 1.00 0.00 H new ATOM 1826 N ASP A 112 19.885 -2.870 9.045 1.00 0.00 N ATOM 1827 CA ASP A 112 20.293 -1.475 8.952 1.00 0.00 C ATOM 1828 C ASP A 112 21.790 -1.391 8.696 1.00 0.00 C ATOM 1829 O ASP A 112 22.567 -1.490 9.668 1.00 0.00 O ATOM 1830 CB ASP A 112 19.939 -0.707 10.233 1.00 0.00 C ATOM 1831 CG ASP A 112 18.464 -0.374 10.345 1.00 0.00 C ATOM 1832 OD1 ASP A 112 17.709 -1.163 10.958 1.00 0.00 O ATOM 1833 OD2 ASP A 112 18.049 0.691 9.839 1.00 0.00 O ATOM 1834 OXT ASP A 112 22.194 -1.242 7.523 1.00 0.00 O ATOM 0 H ASP A 112 19.992 -3.279 9.973 1.00 0.00 H new ATOM 0 HA ASP A 112 19.755 -1.018 8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 112 20.237 -1.300 11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 112 20.516 0.217 10.266 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -24.165 0.309 12.037 1.00 0.00 N ATOM 1841 CA HIS B 281 -23.035 0.897 12.800 1.00 0.00 C ATOM 1842 C HIS B 281 -22.011 1.523 11.859 1.00 0.00 C ATOM 1843 O HIS B 281 -21.395 2.535 12.187 1.00 0.00 O ATOM 1844 CB HIS B 281 -22.365 -0.170 13.676 1.00 0.00 C ATOM 1845 CG HIS B 281 -21.219 0.345 14.498 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -21.386 1.115 15.629 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -19.883 0.191 14.347 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -20.206 1.411 16.136 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -19.278 0.860 15.378 1.00 0.00 N ATOM 0 HA HIS B 281 -23.434 1.680 13.444 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -23.113 -0.600 14.343 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -22.006 -0.977 13.037 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -19.386 -0.357 13.560 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -20.029 2.004 17.021 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -18.272 0.922 15.534 1.00 0.00 H new ATOM 1860 N ASN B 282 -21.818 0.916 10.698 1.00 0.00 N ATOM 1861 CA ASN B 282 -20.884 1.443 9.717 1.00 0.00 C ATOM 1862 C ASN B 282 -21.643 2.075 8.562 1.00 0.00 C ATOM 1863 O ASN B 282 -22.202 1.378 7.718 1.00 0.00 O ATOM 1864 CB ASN B 282 -19.962 0.337 9.196 1.00 0.00 C ATOM 1865 CG ASN B 282 -18.954 0.848 8.181 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -19.221 0.874 6.979 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -17.790 1.256 8.659 1.00 0.00 N ATOM 0 H ASN B 282 -22.295 0.060 10.413 1.00 0.00 H new ATOM 0 HA ASN B 282 -20.270 2.203 10.200 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -19.431 -0.114 10.035 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -20.564 -0.449 8.741 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -17.074 1.609 8.024 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -17.609 1.218 9.662 1.00 0.00 H new ATOM 1874 N LEU B 283 -21.667 3.394 8.533 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.382 4.112 7.494 1.00 0.00 C ATOM 1876 C LEU B 283 -21.387 4.740 6.527 1.00 0.00 C ATOM 1877 O LEU B 283 -21.507 5.905 6.138 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.292 5.176 8.113 1.00 0.00 C ATOM 1879 CG LEU B 283 -24.279 5.839 7.149 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -25.229 4.810 6.554 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.054 6.935 7.859 1.00 0.00 C ATOM 0 H LEU B 283 -21.200 3.990 9.216 1.00 0.00 H new ATOM 0 HA LEU B 283 -23.010 3.414 6.941 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -23.856 4.719 8.926 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -22.667 5.951 8.556 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.713 6.287 6.333 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -25.921 5.305 5.872 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -24.657 4.059 6.009 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -25.791 4.328 7.354 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -25.752 7.398 7.161 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -25.607 6.507 8.695 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -24.360 7.689 8.231 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.386 3.961 6.159 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.383 4.407 5.217 1.00 0.00 C ATOM 1895 C LEU B 284 -19.495 3.606 3.931 1.00 0.00 C ATOM 1896 O LEU B 284 -19.677 2.388 3.965 1.00 0.00 O ATOM 1897 CB LEU B 284 -17.984 4.250 5.815 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.839 4.744 4.927 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -17.004 6.221 4.608 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -15.499 4.495 5.599 1.00 0.00 C ATOM 0 H LEU B 284 -20.248 3.011 6.502 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.549 5.462 4.997 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -17.948 4.789 6.762 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.819 3.197 6.042 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.868 4.185 3.991 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.180 6.551 3.976 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.947 6.377 4.085 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -17.004 6.796 5.534 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -14.696 4.852 4.954 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -15.464 5.027 6.550 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.374 3.427 5.776 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.415 4.305 2.808 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.447 3.670 1.498 1.00 0.00 C ATOM 1914 C ARG B 285 -18.342 2.630 1.395 1.00 0.00 C ATOM 1915 O ARG B 285 -17.184 2.929 1.666 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.263 4.717 0.398 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.353 5.772 0.356 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.019 6.859 -0.648 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.095 7.839 -0.777 1.00 0.00 N ATOM 1920 CZ ARG B 285 -22.106 7.733 -1.640 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -22.192 6.679 -2.445 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -23.026 8.686 -1.699 1.00 0.00 N ATOM 0 H ARG B 285 -19.327 5.321 2.778 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.414 3.184 1.372 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.301 5.210 0.538 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.225 4.211 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -21.303 5.308 0.092 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -20.477 6.212 1.346 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -19.103 7.365 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.824 6.406 -1.620 1.00 0.00 H new ATOM 0 HE ARG B 285 -21.071 8.657 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -21.483 5.947 -2.404 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -22.967 6.602 -3.104 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -22.959 9.498 -1.085 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -23.800 8.607 -2.358 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.691 1.417 1.013 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.698 0.365 0.902 1.00 0.00 C ATOM 1938 C ILE B 286 -17.164 0.285 -0.527 1.00 0.00 C ATOM 1939 O ILE B 286 -17.930 0.318 -1.490 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.249 -1.007 1.356 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.480 -1.413 0.540 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.579 -0.968 2.843 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -20.135 -2.692 1.018 1.00 0.00 C ATOM 0 H ILE B 286 -19.643 1.137 0.777 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.878 0.619 1.573 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.479 -1.758 1.182 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -20.211 -0.606 0.577 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -19.189 -1.533 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -18.966 -1.938 3.155 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.677 -0.738 3.410 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.330 -0.200 3.029 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.999 -2.914 0.392 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -19.420 -3.512 0.955 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.458 -2.571 2.052 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.357 1.692 0.523 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.779 1.214 -0.452 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.252 1.087 -0.432 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.439 0.803 -1.525 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.889 0.875 -1.668 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.388 0.002 -2.810 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.881 0.154 -3.038 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.678 -0.007 -1.754 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.180 0.155 -1.950 1.00 0.00 C HETATM 1964 N ALY B 287 -15.841 0.231 -0.650 1.00 0.00 N HETATM 1965 C ALY B 287 -15.713 -1.028 -2.751 1.00 0.00 C HETATM 1966 O ALY B 287 -15.839 -2.128 -2.216 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.806 2.074 -0.312 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.951 0.449 0.399 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.911 0.647 -1.369 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.900 0.412 -2.298 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.213 -0.587 -3.765 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.083 1.135 -3.468 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.186 1.909 -1.844 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.362 0.562 -0.737 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.160 -1.042 -2.594 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.854 0.262 -3.724 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.384 1.075 -2.497 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.333 0.727 -1.026 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.478 -0.992 -1.332 1.00 0.00 H new HETATM 0 H ALY B 287 -15.290 0.174 0.206 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.026 -0.802 -4.022 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.531 -1.867 -4.886 1.00 0.00 C ATOM 1983 C GLN B 288 -15.413 -2.832 -5.283 1.00 0.00 C ATOM 1984 O GLN B 288 -15.009 -2.892 -6.442 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.190 -1.289 -6.142 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.451 -0.491 -5.865 1.00 0.00 C ATOM 1987 CD GLN B 288 -19.166 -0.081 -7.137 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -18.913 0.985 -7.694 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.061 -0.931 -7.613 1.00 0.00 N ATOM 0 H GLN B 288 -15.940 0.106 -4.478 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.281 -2.418 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -16.472 -0.649 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -17.431 -2.106 -6.822 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -19.125 -1.085 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.195 0.400 -5.292 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.244 -1.807 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -20.568 -0.711 -8.470 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.920 -3.572 -4.304 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.886 -4.575 -4.525 1.00 0.00 C ATOM 2000 C PHE B 289 -14.396 -5.944 -4.101 1.00 0.00 C ATOM 2001 O PHE B 289 -14.302 -6.309 -2.930 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.620 -4.238 -3.731 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.640 -3.341 -4.439 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.033 -2.504 -5.471 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.311 -3.343 -4.058 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.114 -1.685 -6.104 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.391 -2.528 -4.683 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.793 -1.697 -5.708 1.00 0.00 C ATOM 0 H PHE B 289 -15.224 -3.496 -3.333 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.642 -4.584 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.913 -3.762 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.115 -5.168 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.066 -2.491 -5.785 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -9.988 -3.993 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.431 -1.037 -6.908 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.357 -2.540 -4.371 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.075 -1.057 -6.199 1.00 0.00 H new ATOM 2018 N LEU B 290 -14.946 -6.682 -5.048 1.00 0.00 N ATOM 2019 CA LEU B 290 -15.475 -8.011 -4.777 1.00 0.00 C ATOM 2020 C LEU B 290 -14.809 -9.033 -5.689 1.00 0.00 C ATOM 2021 O LEU B 290 -15.126 -9.113 -6.877 1.00 0.00 O ATOM 2022 CB LEU B 290 -16.993 -8.032 -4.984 1.00 0.00 C ATOM 2023 CG LEU B 290 -17.789 -7.068 -4.099 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -19.266 -7.107 -4.460 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -17.589 -7.406 -2.628 1.00 0.00 C ATOM 0 H LEU B 290 -15.039 -6.383 -6.019 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.261 -8.268 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -17.204 -7.799 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -17.353 -9.045 -4.805 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.420 -6.057 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -19.815 -6.416 -3.821 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -19.394 -6.816 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -19.649 -8.117 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.162 -6.711 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -17.930 -8.424 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -16.531 -7.326 -2.377 1.00 0.00 H new ATOM 2037 N GLN B 291 -13.873 -9.794 -5.140 1.00 0.00 N ATOM 2038 CA GLN B 291 -13.154 -10.797 -5.914 1.00 0.00 C ATOM 2039 C GLN B 291 -14.034 -12.008 -6.192 1.00 0.00 C ATOM 2040 O GLN B 291 -14.259 -12.843 -5.315 1.00 0.00 O ATOM 2041 CB GLN B 291 -11.886 -11.230 -5.179 1.00 0.00 C ATOM 2042 CG GLN B 291 -10.818 -10.152 -5.127 1.00 0.00 C ATOM 2043 CD GLN B 291 -10.238 -9.849 -6.493 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -9.255 -10.460 -6.910 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -10.841 -8.911 -7.201 1.00 0.00 N ATOM 0 H GLN B 291 -13.593 -9.736 -4.161 1.00 0.00 H new ATOM 0 HA GLN B 291 -12.876 -10.348 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -12.147 -11.521 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -11.476 -12.113 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -11.245 -9.242 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -10.018 -10.468 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -11.654 -8.427 -6.819 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -10.494 -8.670 -8.129 1.00 0.00 H new ATOM 2054 N SER B 292 -14.535 -12.091 -7.410 1.00 0.00 N ATOM 2055 CA SER B 292 -15.357 -13.209 -7.826 1.00 0.00 C ATOM 2056 C SER B 292 -14.938 -13.636 -9.226 1.00 0.00 C ATOM 2057 O SER B 292 -15.371 -12.992 -10.201 1.00 0.00 O ATOM 2058 CB SER B 292 -16.842 -12.822 -7.791 1.00 0.00 C ATOM 2059 OG SER B 292 -17.682 -13.954 -7.974 1.00 0.00 O ATOM 2060 OXT SER B 292 -14.146 -14.593 -9.345 1.00 0.00 O ATOM 0 H SER B 292 -14.384 -11.389 -8.135 1.00 0.00 H new ATOM 0 HA SER B 292 -15.217 -14.045 -7.141 1.00 0.00 H new ATOM 0 HB2 SER B 292 -17.073 -12.347 -6.837 1.00 0.00 H new ATOM 0 HB3 SER B 292 -17.046 -12.087 -8.570 1.00 0.00 H new ATOM 0 HG SER B 292 -18.620 -13.673 -7.945 1.00 0.00 H new TER 2066 SER B 292