USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 975 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 LYS NZ :NH3+ 141:sc= 0.139 (180deg=-0.0288) USER MOD Set 1.2: A 124 THR OG1 : rot 180:sc= -0.209 USER MOD Set 2.1: A 94 THR OG1 : rot -77:sc= -0.73! USER MOD Set 2.2: A 96 TYR OH : rot 132:sc= 0.484 USER MOD Set 3.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 74 ASN : amide:sc= -1.15! C(o=-1.2!,f=-7.6!) USER MOD Set 4.1: A 9 THR OG1 : rot 121:sc= -0.447 USER MOD Set 4.2: A 51 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.61) USER MOD Set 5.1: A 23 ASN : amide:sc= -2.79! C(o=-2.8!,f=-5.3!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 159:sc= 0 (180deg=0) USER MOD Set 6.1: A 27 ASN : amide:sc= -1.52! C(o=-3.2!,f=-18!) USER MOD Set 6.2: A 119 LYS NZ :NH3+ 179:sc= -1.72! (180deg=-0.446) USER MOD Set 7.1: A 18 LYS NZ :NH3+ 159:sc= -0.0803 (180deg=-0.555) USER MOD Set 7.2: A 20 TYR OH : rot 30:sc= -0.783 USER MOD Single : A 1 GLU N :NH3+ -125:sc= -0.0242 (180deg=-0.418) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0352) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc=-0.00293 (180deg=-0.145) USER MOD Single : A 10 THR OG1 : rot -21:sc= 0.597 USER MOD Single : A 11 SER OG : rot -150:sc= -7.05! USER MOD Single : A 13 SER OG : rot -51:sc= -2.38! USER MOD Single : A 14 THR OG1 : rot 8:sc= 0.808! USER MOD Single : A 17 SER OG : rot 180:sc= -1.09 USER MOD Single : A 21 SER OG : rot 180:sc= -0.201 USER MOD Single : A 26 SER OG : rot 17:sc= -0.103 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00818 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00984 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 32 ASN : amide:sc= -0.0329 K(o=-0.033,f=-2.1!) USER MOD Single : A 33 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= -0.59 (180deg=-1.99!) USER MOD Single : A 43 HIS : no HD1:sc= 0.287 K(o=0.29,f=-3.8!) USER MOD Single : A 45 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.8!) USER MOD Single : A 54 SER OG : rot -24:sc= 0.164 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 56 TYR OH : rot -119:sc= 0.399 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.0196 K(o=-0.02,f=-4.9!) USER MOD Single : A 69 ASN : amide:sc=-0.00923 K(o=-0.0092,f=-2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0616 K(o=-0.062,f=-2!) USER MOD Single : A 79 ASN : amide:sc= -2.59! C(o=-2.6!,f=-13!) USER MOD Single : A 80 LYS NZ :NH3+ 157:sc= -0.428 (180deg=-1.38) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.0333 (180deg=-0.526) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.099 K(o=-0.099,f=-2.3!) USER MOD Single : A 88 MET CE :methyl 158:sc= -0.0571 (180deg=-0.563) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.251 K(o=-0.25,f=-3.3!) USER MOD Single : A 93 ASN : amide:sc= -2.76! C(o=-2.8!,f=-6.2!) USER MOD Single : A 97 SER OG : rot 180:sc= -1.26 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -157:sc= 0.174 (180deg=-0.559!) USER MOD Single : A 117 ASN : amide:sc= -0.829 K(o=-0.83,f=-5!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.112 15.743 -5.172 1.00 0.00 N ATOM 2 CA GLU A 1 116.338 14.985 -4.792 1.00 0.00 C ATOM 3 C GLU A 1 115.979 13.516 -4.565 1.00 0.00 C ATOM 4 O GLU A 1 114.884 13.192 -4.148 1.00 0.00 O ATOM 5 CB GLU A 1 116.924 15.572 -3.507 1.00 0.00 C ATOM 6 CG GLU A 1 117.477 16.971 -3.789 1.00 0.00 C ATOM 7 CD GLU A 1 117.961 17.601 -2.483 1.00 0.00 C ATOM 8 OE1 GLU A 1 117.885 16.936 -1.462 1.00 0.00 O ATOM 9 OE2 GLU A 1 118.399 18.739 -2.523 1.00 0.00 O ATOM 0 H1 GLU A 1 115.274 16.236 -6.073 1.00 0.00 H new ATOM 0 H2 GLU A 1 114.315 15.084 -5.277 1.00 0.00 H new ATOM 0 H3 GLU A 1 114.891 16.439 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 1 117.074 15.060 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 1 116.156 15.622 -2.735 1.00 0.00 H new ATOM 0 HB3 GLU A 1 117.716 14.926 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 1 118.299 16.912 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 1 116.706 17.594 -4.242 1.00 0.00 H new ATOM 18 N LYS A 2 116.892 12.622 -4.830 1.00 0.00 N ATOM 19 CA LYS A 2 116.600 11.176 -4.625 1.00 0.00 C ATOM 20 C LYS A 2 116.616 10.864 -3.126 1.00 0.00 C ATOM 21 O LYS A 2 117.153 11.613 -2.332 1.00 0.00 O ATOM 22 CB LYS A 2 117.660 10.335 -5.341 1.00 0.00 C ATOM 23 CG LYS A 2 117.676 10.691 -6.831 1.00 0.00 C ATOM 24 CD LYS A 2 116.367 10.236 -7.484 1.00 0.00 C ATOM 25 CE LYS A 2 116.555 10.148 -8.999 1.00 0.00 C ATOM 26 NZ LYS A 2 116.771 11.513 -9.557 1.00 0.00 N ATOM 0 H LYS A 2 117.827 12.831 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 2 115.618 10.938 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.641 10.517 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.445 9.274 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.802 11.766 -6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.524 10.212 -7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 2 116.069 9.266 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.567 10.937 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.407 9.510 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 2 115.678 9.691 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 116.797 11.463 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 115.994 12.137 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 117.673 11.893 -9.206 1.00 0.00 H new ATOM 40 N VAL A 3 116.019 9.773 -2.730 1.00 0.00 N ATOM 41 CA VAL A 3 115.984 9.420 -1.280 1.00 0.00 C ATOM 42 C VAL A 3 116.979 8.294 -0.994 1.00 0.00 C ATOM 43 O VAL A 3 116.999 7.285 -1.669 1.00 0.00 O ATOM 44 CB VAL A 3 114.576 8.943 -0.916 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.589 8.319 0.481 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.613 10.132 -0.935 1.00 0.00 C ATOM 0 H VAL A 3 115.553 9.109 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 3 116.250 10.297 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 3 114.249 8.198 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.585 7.980 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.273 7.470 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.918 9.061 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.610 9.792 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.942 10.878 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.600 10.574 -1.931 1.00 0.00 H new ATOM 56 N LYS A 4 117.803 8.453 0.012 1.00 0.00 N ATOM 57 CA LYS A 4 118.777 7.375 0.335 1.00 0.00 C ATOM 58 C LYS A 4 118.013 6.165 0.866 1.00 0.00 C ATOM 59 O LYS A 4 117.280 6.260 1.832 1.00 0.00 O ATOM 60 CB LYS A 4 119.763 7.861 1.401 1.00 0.00 C ATOM 61 CG LYS A 4 120.875 8.686 0.746 1.00 0.00 C ATOM 62 CD LYS A 4 120.259 9.763 -0.148 1.00 0.00 C ATOM 63 CE LYS A 4 121.363 10.683 -0.672 1.00 0.00 C ATOM 64 NZ LYS A 4 122.215 9.936 -1.641 1.00 0.00 N ATOM 0 H LYS A 4 117.841 9.274 0.615 1.00 0.00 H new ATOM 0 HA LYS A 4 119.332 7.105 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.241 8.464 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.193 7.008 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 4 121.498 9.148 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.523 8.037 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 4 119.730 9.300 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 4 119.525 10.341 0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 4 120.925 11.556 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 4 121.970 11.048 0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 122.856 10.599 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 122.774 9.222 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 121.610 9.466 -2.345 1.00 0.00 H new ATOM 78 N GLY A 5 118.171 5.034 0.244 1.00 0.00 N ATOM 79 CA GLY A 5 117.444 3.825 0.719 1.00 0.00 C ATOM 80 C GLY A 5 117.743 2.647 -0.203 1.00 0.00 C ATOM 81 O GLY A 5 118.415 2.786 -1.207 1.00 0.00 O ATOM 0 H GLY A 5 118.769 4.893 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.745 3.586 1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.372 4.019 0.740 1.00 0.00 H new ATOM 85 N CYS A 6 117.252 1.486 0.132 1.00 0.00 N ATOM 86 CA CYS A 6 117.508 0.290 -0.720 1.00 0.00 C ATOM 87 C CYS A 6 116.186 -0.220 -1.293 1.00 0.00 C ATOM 88 O CYS A 6 115.207 -0.395 -0.581 1.00 0.00 O ATOM 89 CB CYS A 6 118.156 -0.802 0.130 1.00 0.00 C ATOM 90 SG CYS A 6 119.073 -1.943 -0.938 1.00 0.00 S ATOM 0 H CYS A 6 116.683 1.313 0.961 1.00 0.00 H new ATOM 0 HA CYS A 6 118.175 0.558 -1.540 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.828 -0.355 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.392 -1.344 0.687 1.00 0.00 H new ATOM 95 N ASP A 7 116.145 -0.453 -2.575 1.00 0.00 N ATOM 96 CA ASP A 7 114.892 -0.955 -3.206 1.00 0.00 C ATOM 97 C ASP A 7 115.078 -2.422 -3.601 1.00 0.00 C ATOM 98 O ASP A 7 115.802 -2.738 -4.525 1.00 0.00 O ATOM 99 CB ASP A 7 114.580 -0.125 -4.451 1.00 0.00 C ATOM 100 CG ASP A 7 113.131 -0.369 -4.878 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.375 -0.888 -4.074 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.801 -0.029 -6.003 1.00 0.00 O ATOM 0 H ASP A 7 116.927 -0.317 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 7 114.066 -0.870 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.736 0.934 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.259 -0.394 -5.260 1.00 0.00 H new ATOM 107 N PHE A 8 114.424 -3.321 -2.918 1.00 0.00 N ATOM 108 CA PHE A 8 114.555 -4.765 -3.267 1.00 0.00 C ATOM 109 C PHE A 8 113.511 -5.117 -4.326 1.00 0.00 C ATOM 110 O PHE A 8 113.391 -6.252 -4.744 1.00 0.00 O ATOM 111 CB PHE A 8 114.318 -5.617 -2.017 1.00 0.00 C ATOM 112 CG PHE A 8 115.454 -5.427 -1.042 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.607 -6.215 -1.146 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.354 -4.466 -0.028 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.659 -6.042 -0.238 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.405 -4.294 0.880 1.00 0.00 C ATOM 117 CZ PHE A 8 117.558 -5.081 0.774 1.00 0.00 C ATOM 0 H PHE A 8 113.805 -3.119 -2.133 1.00 0.00 H new ATOM 0 HA PHE A 8 115.555 -4.961 -3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.375 -5.336 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.236 -6.668 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.685 -6.957 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.465 -3.857 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.548 -6.650 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 8 116.327 -3.554 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.370 -4.946 1.474 1.00 0.00 H new ATOM 127 N THR A 9 112.737 -4.151 -4.739 1.00 0.00 N ATOM 128 CA THR A 9 111.675 -4.422 -5.748 1.00 0.00 C ATOM 129 C THR A 9 112.113 -3.946 -7.135 1.00 0.00 C ATOM 130 O THR A 9 111.538 -4.328 -8.135 1.00 0.00 O ATOM 131 CB THR A 9 110.403 -3.675 -5.338 1.00 0.00 C ATOM 132 OG1 THR A 9 110.114 -3.946 -3.972 1.00 0.00 O ATOM 133 CG2 THR A 9 109.232 -4.133 -6.207 1.00 0.00 C ATOM 0 H THR A 9 112.795 -3.184 -4.420 1.00 0.00 H new ATOM 0 HA THR A 9 111.491 -5.495 -5.790 1.00 0.00 H new ATOM 0 HB THR A 9 110.555 -2.604 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.100 -3.106 -3.468 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.329 -3.599 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.452 -3.923 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.079 -5.204 -6.076 1.00 0.00 H new ATOM 141 N THR A 10 113.111 -3.109 -7.215 1.00 0.00 N ATOM 142 CA THR A 10 113.547 -2.618 -8.554 1.00 0.00 C ATOM 143 C THR A 10 114.993 -2.121 -8.492 1.00 0.00 C ATOM 144 O THR A 10 115.349 -1.311 -7.660 1.00 0.00 O ATOM 145 CB THR A 10 112.636 -1.466 -8.987 1.00 0.00 C ATOM 146 OG1 THR A 10 111.285 -1.908 -8.986 1.00 0.00 O ATOM 147 CG2 THR A 10 113.021 -1.003 -10.394 1.00 0.00 C ATOM 0 H THR A 10 113.639 -2.747 -6.421 1.00 0.00 H new ATOM 0 HA THR A 10 113.484 -3.436 -9.271 1.00 0.00 H new ATOM 0 HB THR A 10 112.750 -0.634 -8.292 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.261 -2.886 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.370 -0.183 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 10 114.057 -0.663 -10.395 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.911 -1.832 -11.093 1.00 0.00 H new ATOM 155 N SER A 11 115.827 -2.594 -9.377 1.00 0.00 N ATOM 156 CA SER A 11 117.247 -2.139 -9.375 1.00 0.00 C ATOM 157 C SER A 11 117.297 -0.671 -9.787 1.00 0.00 C ATOM 158 O SER A 11 118.204 0.060 -9.434 1.00 0.00 O ATOM 159 CB SER A 11 118.057 -2.972 -10.370 1.00 0.00 C ATOM 160 OG SER A 11 118.342 -4.241 -9.798 1.00 0.00 O ATOM 0 H SER A 11 115.588 -3.274 -10.099 1.00 0.00 H new ATOM 0 HA SER A 11 117.669 -2.261 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.498 -3.096 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.984 -2.458 -10.622 1.00 0.00 H new ATOM 0 HG SER A 11 119.191 -4.577 -10.154 1.00 0.00 H new ATOM 166 N GLU A 12 116.315 -0.228 -10.525 1.00 0.00 N ATOM 167 CA GLU A 12 116.280 1.198 -10.960 1.00 0.00 C ATOM 168 C GLU A 12 115.081 1.887 -10.306 1.00 0.00 C ATOM 169 O GLU A 12 114.079 2.151 -10.941 1.00 0.00 O ATOM 170 CB GLU A 12 116.129 1.257 -12.482 1.00 0.00 C ATOM 171 CG GLU A 12 117.394 0.712 -13.147 1.00 0.00 C ATOM 172 CD GLU A 12 117.212 0.710 -14.666 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.126 0.378 -15.112 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.162 1.041 -15.357 1.00 0.00 O ATOM 0 H GLU A 12 115.531 -0.796 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 12 117.202 1.699 -10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.262 0.674 -12.794 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.953 2.285 -12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 12 118.254 1.324 -12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.597 -0.299 -12.793 1.00 0.00 H new ATOM 181 N SER A 13 115.171 2.169 -9.039 1.00 0.00 N ATOM 182 CA SER A 13 114.032 2.824 -8.337 1.00 0.00 C ATOM 183 C SER A 13 113.879 4.269 -8.811 1.00 0.00 C ATOM 184 O SER A 13 114.831 4.913 -9.206 1.00 0.00 O ATOM 185 CB SER A 13 114.289 2.818 -6.830 1.00 0.00 C ATOM 186 OG SER A 13 114.697 1.517 -6.432 1.00 0.00 O ATOM 0 H SER A 13 115.985 1.974 -8.456 1.00 0.00 H new ATOM 0 HA SER A 13 113.118 2.273 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.059 3.547 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.386 3.109 -6.294 1.00 0.00 H new ATOM 0 HG SER A 13 114.057 0.856 -6.770 1.00 0.00 H new ATOM 192 N THR A 14 112.683 4.784 -8.757 1.00 0.00 N ATOM 193 CA THR A 14 112.452 6.190 -9.184 1.00 0.00 C ATOM 194 C THR A 14 112.384 7.068 -7.935 1.00 0.00 C ATOM 195 O THR A 14 112.211 8.268 -8.012 1.00 0.00 O ATOM 196 CB THR A 14 111.124 6.283 -9.944 1.00 0.00 C ATOM 197 OG1 THR A 14 110.668 7.629 -9.940 1.00 0.00 O ATOM 198 CG2 THR A 14 110.083 5.389 -9.266 1.00 0.00 C ATOM 0 H THR A 14 111.852 4.288 -8.434 1.00 0.00 H new ATOM 0 HA THR A 14 113.261 6.522 -9.835 1.00 0.00 H new ATOM 0 HB THR A 14 111.271 5.953 -10.972 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.361 8.208 -9.560 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.139 5.455 -9.807 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.432 4.356 -9.271 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.936 5.718 -8.237 1.00 0.00 H new ATOM 206 N ILE A 15 112.530 6.467 -6.782 1.00 0.00 N ATOM 207 CA ILE A 15 112.484 7.248 -5.513 1.00 0.00 C ATOM 208 C ILE A 15 113.751 6.994 -4.690 1.00 0.00 C ATOM 209 O ILE A 15 114.142 7.810 -3.878 1.00 0.00 O ATOM 210 CB ILE A 15 111.251 6.831 -4.711 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.081 5.313 -4.794 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.008 7.513 -5.287 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.046 4.856 -3.763 1.00 0.00 C ATOM 0 H ILE A 15 112.680 5.465 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 15 112.427 8.311 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 15 111.378 7.129 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.762 5.027 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.035 4.819 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.130 7.214 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.127 8.595 -5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.880 7.216 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.926 3.774 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.384 5.129 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.091 5.339 -3.968 1.00 0.00 H new ATOM 225 N PHE A 16 114.393 5.869 -4.879 1.00 0.00 N ATOM 226 CA PHE A 16 115.624 5.571 -4.084 1.00 0.00 C ATOM 227 C PHE A 16 116.852 5.589 -4.998 1.00 0.00 C ATOM 228 O PHE A 16 116.813 5.123 -6.118 1.00 0.00 O ATOM 229 CB PHE A 16 115.499 4.188 -3.432 1.00 0.00 C ATOM 230 CG PHE A 16 114.372 4.202 -2.425 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.531 4.866 -1.203 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.167 3.553 -2.718 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.484 4.880 -0.272 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.121 3.568 -1.789 1.00 0.00 C ATOM 235 CZ PHE A 16 112.280 4.231 -0.565 1.00 0.00 C ATOM 0 H PHE A 16 114.120 5.147 -5.546 1.00 0.00 H new ATOM 0 HA PHE A 16 115.737 6.330 -3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.310 3.431 -4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.435 3.920 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.461 5.367 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.045 3.041 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.606 5.392 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.191 3.068 -2.015 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.473 4.241 0.152 1.00 0.00 H new ATOM 245 N SER A 17 117.938 6.140 -4.524 1.00 0.00 N ATOM 246 CA SER A 17 119.175 6.214 -5.355 1.00 0.00 C ATOM 247 C SER A 17 119.810 4.828 -5.503 1.00 0.00 C ATOM 248 O SER A 17 120.628 4.610 -6.374 1.00 0.00 O ATOM 249 CB SER A 17 120.176 7.151 -4.681 1.00 0.00 C ATOM 250 OG SER A 17 119.790 8.498 -4.914 1.00 0.00 O ATOM 0 H SER A 17 118.021 6.544 -3.591 1.00 0.00 H new ATOM 0 HA SER A 17 118.911 6.588 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 17 120.214 6.952 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 17 121.178 6.975 -5.073 1.00 0.00 H new ATOM 0 HG SER A 17 120.430 9.101 -4.481 1.00 0.00 H new ATOM 256 N LYS A 18 119.465 3.890 -4.658 1.00 0.00 N ATOM 257 CA LYS A 18 120.089 2.535 -4.769 1.00 0.00 C ATOM 258 C LYS A 18 119.017 1.443 -4.735 1.00 0.00 C ATOM 259 O LYS A 18 118.043 1.526 -4.011 1.00 0.00 O ATOM 260 CB LYS A 18 121.056 2.327 -3.603 1.00 0.00 C ATOM 261 CG LYS A 18 121.788 0.994 -3.776 1.00 0.00 C ATOM 262 CD LYS A 18 122.796 0.815 -2.640 1.00 0.00 C ATOM 263 CE LYS A 18 123.539 -0.510 -2.818 1.00 0.00 C ATOM 264 NZ LYS A 18 124.322 -0.474 -4.085 1.00 0.00 N ATOM 0 H LYS A 18 118.787 4.000 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 18 120.624 2.473 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.775 3.146 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.511 2.334 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.073 0.171 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.300 0.970 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.505 1.643 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.282 0.829 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.204 -0.683 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 18 122.829 -1.337 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.082 -1.183 -4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 123.694 -0.685 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.737 0.471 -4.210 1.00 0.00 H new ATOM 278 N GLY A 19 119.196 0.408 -5.514 1.00 0.00 N ATOM 279 CA GLY A 19 118.199 -0.700 -5.527 1.00 0.00 C ATOM 280 C GLY A 19 118.828 -1.949 -6.152 1.00 0.00 C ATOM 281 O GLY A 19 119.876 -1.889 -6.764 1.00 0.00 O ATOM 0 H GLY A 19 119.990 0.283 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.868 -0.917 -4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.317 -0.402 -6.094 1.00 0.00 H new ATOM 285 N TYR A 20 118.196 -3.082 -5.997 1.00 0.00 N ATOM 286 CA TYR A 20 118.748 -4.344 -6.577 1.00 0.00 C ATOM 287 C TYR A 20 117.688 -5.010 -7.460 1.00 0.00 C ATOM 288 O TYR A 20 116.531 -4.647 -7.436 1.00 0.00 O ATOM 289 CB TYR A 20 119.138 -5.301 -5.451 1.00 0.00 C ATOM 290 CG TYR A 20 120.373 -4.791 -4.749 1.00 0.00 C ATOM 291 CD1 TYR A 20 121.630 -4.949 -5.343 1.00 0.00 C ATOM 292 CD2 TYR A 20 120.262 -4.170 -3.499 1.00 0.00 C ATOM 293 CE1 TYR A 20 122.776 -4.482 -4.691 1.00 0.00 C ATOM 294 CE2 TYR A 20 121.409 -3.705 -2.845 1.00 0.00 C ATOM 295 CZ TYR A 20 122.667 -3.862 -3.440 1.00 0.00 C ATOM 296 OH TYR A 20 123.797 -3.404 -2.796 1.00 0.00 O ATOM 0 H TYR A 20 117.317 -3.189 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 20 119.628 -4.108 -7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.317 -5.394 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.324 -6.296 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 20 121.715 -5.432 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 20 119.292 -4.050 -3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 20 123.745 -4.600 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 20 121.324 -3.225 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 20 124.468 -3.142 -3.460 1.00 0.00 H new ATOM 306 N SER A 21 118.079 -5.993 -8.228 1.00 0.00 N ATOM 307 CA SER A 21 117.096 -6.693 -9.103 1.00 0.00 C ATOM 308 C SER A 21 116.741 -8.043 -8.476 1.00 0.00 C ATOM 309 O SER A 21 117.419 -8.521 -7.588 1.00 0.00 O ATOM 310 CB SER A 21 117.712 -6.915 -10.483 1.00 0.00 C ATOM 311 OG SER A 21 117.000 -7.944 -11.155 1.00 0.00 O ATOM 0 H SER A 21 119.036 -6.340 -8.286 1.00 0.00 H new ATOM 0 HA SER A 21 116.195 -6.088 -9.204 1.00 0.00 H new ATOM 0 HB2 SER A 21 117.675 -5.993 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 21 118.763 -7.188 -10.385 1.00 0.00 H new ATOM 0 HG SER A 21 117.392 -8.088 -12.042 1.00 0.00 H new ATOM 317 N ILE A 22 115.682 -8.663 -8.924 1.00 0.00 N ATOM 318 CA ILE A 22 115.294 -9.978 -8.342 1.00 0.00 C ATOM 319 C ILE A 22 116.407 -11.000 -8.599 1.00 0.00 C ATOM 320 O ILE A 22 116.504 -12.003 -7.925 1.00 0.00 O ATOM 321 CB ILE A 22 113.989 -10.461 -8.981 1.00 0.00 C ATOM 322 CG1 ILE A 22 114.168 -10.581 -10.496 1.00 0.00 C ATOM 323 CG2 ILE A 22 112.873 -9.460 -8.680 1.00 0.00 C ATOM 324 CD1 ILE A 22 112.919 -11.218 -11.107 1.00 0.00 C ATOM 0 H ILE A 22 115.072 -8.317 -9.665 1.00 0.00 H new ATOM 0 HA ILE A 22 115.146 -9.869 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 22 113.727 -11.436 -8.570 1.00 0.00 H new ATOM 0 HG12 ILE A 22 114.338 -9.597 -10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 22 115.046 -11.186 -10.723 1.00 0.00 H new ATOM 0 HG21 ILE A 22 111.944 -9.803 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 22 112.740 -9.377 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE A 22 113.139 -8.485 -9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 22 113.045 -11.304 -12.186 1.00 0.00 H new ATOM 0 HD12 ILE A 22 112.770 -12.209 -10.679 1.00 0.00 H new ATOM 0 HD13 ILE A 22 112.051 -10.595 -10.892 1.00 0.00 H new ATOM 336 N ASN A 23 117.244 -10.750 -9.568 1.00 0.00 N ATOM 337 CA ASN A 23 118.348 -11.708 -9.866 1.00 0.00 C ATOM 338 C ASN A 23 119.239 -11.855 -8.630 1.00 0.00 C ATOM 339 O ASN A 23 119.758 -12.917 -8.351 1.00 0.00 O ATOM 340 CB ASN A 23 119.181 -11.180 -11.035 1.00 0.00 C ATOM 341 CG ASN A 23 120.329 -12.152 -11.320 1.00 0.00 C ATOM 342 OD1 ASN A 23 120.652 -12.986 -10.499 1.00 0.00 O ATOM 343 ND2 ASN A 23 120.962 -12.077 -12.458 1.00 0.00 N ATOM 0 H ASN A 23 117.212 -9.925 -10.166 1.00 0.00 H new ATOM 0 HA ASN A 23 117.927 -12.678 -10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 23 118.556 -11.069 -11.921 1.00 0.00 H new ATOM 0 HB3 ASN A 23 119.576 -10.192 -10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 23 121.729 -12.719 -12.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 120.690 -11.376 -13.147 1.00 0.00 H new ATOM 350 N GLU A 24 119.423 -10.795 -7.894 1.00 0.00 N ATOM 351 CA GLU A 24 120.286 -10.869 -6.678 1.00 0.00 C ATOM 352 C GLU A 24 119.607 -11.722 -5.603 1.00 0.00 C ATOM 353 O GLU A 24 120.256 -12.453 -4.880 1.00 0.00 O ATOM 354 CB GLU A 24 120.521 -9.459 -6.134 1.00 0.00 C ATOM 355 CG GLU A 24 121.327 -8.649 -7.151 1.00 0.00 C ATOM 356 CD GLU A 24 122.716 -9.270 -7.314 1.00 0.00 C ATOM 357 OE1 GLU A 24 123.124 -10.002 -6.428 1.00 0.00 O ATOM 358 OE2 GLU A 24 123.348 -9.002 -8.323 1.00 0.00 O ATOM 0 H GLU A 24 119.014 -9.879 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 24 121.240 -11.324 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 24 119.567 -8.970 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.056 -9.508 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 24 120.810 -8.632 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 24 121.416 -7.615 -6.819 1.00 0.00 H new ATOM 365 N ILE A 25 118.308 -11.639 -5.480 1.00 0.00 N ATOM 366 CA ILE A 25 117.613 -12.451 -4.438 1.00 0.00 C ATOM 367 C ILE A 25 116.989 -13.689 -5.089 1.00 0.00 C ATOM 368 O ILE A 25 116.430 -14.536 -4.424 1.00 0.00 O ATOM 369 CB ILE A 25 116.522 -11.607 -3.768 1.00 0.00 C ATOM 370 CG1 ILE A 25 115.279 -11.553 -4.660 1.00 0.00 C ATOM 371 CG2 ILE A 25 117.047 -10.187 -3.545 1.00 0.00 C ATOM 372 CD1 ILE A 25 114.336 -10.458 -4.158 1.00 0.00 C ATOM 0 H ILE A 25 117.703 -11.049 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 25 118.332 -12.766 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 25 116.257 -12.059 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.568 -11.354 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 25 114.771 -12.517 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 25 116.274 -9.584 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.927 -10.221 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.314 -9.743 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.451 -10.420 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.037 -10.677 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 25 114.847 -9.496 -4.189 1.00 0.00 H new ATOM 384 N SER A 26 117.082 -13.802 -6.387 1.00 0.00 N ATOM 385 CA SER A 26 116.496 -14.986 -7.075 1.00 0.00 C ATOM 386 C SER A 26 117.051 -16.264 -6.445 1.00 0.00 C ATOM 387 O SER A 26 117.653 -16.237 -5.389 1.00 0.00 O ATOM 388 CB SER A 26 116.862 -14.949 -8.559 1.00 0.00 C ATOM 389 OG SER A 26 116.149 -13.894 -9.192 1.00 0.00 O ATOM 0 H SER A 26 117.538 -13.126 -6.999 1.00 0.00 H new ATOM 0 HA SER A 26 115.411 -14.968 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 26 117.935 -14.800 -8.677 1.00 0.00 H new ATOM 0 HB3 SER A 26 116.618 -15.902 -9.029 1.00 0.00 H new ATOM 0 HG SER A 26 115.805 -13.278 -8.512 1.00 0.00 H new ATOM 395 N ASN A 27 116.857 -17.386 -7.085 1.00 0.00 N ATOM 396 CA ASN A 27 117.379 -18.669 -6.528 1.00 0.00 C ATOM 397 C ASN A 27 118.459 -19.225 -7.464 1.00 0.00 C ATOM 398 O ASN A 27 118.986 -20.295 -7.248 1.00 0.00 O ATOM 399 CB ASN A 27 116.233 -19.677 -6.414 1.00 0.00 C ATOM 400 CG ASN A 27 115.217 -19.180 -5.385 1.00 0.00 C ATOM 401 OD1 ASN A 27 115.586 -18.622 -4.371 1.00 0.00 O ATOM 402 ND2 ASN A 27 113.943 -19.356 -5.604 1.00 0.00 N ATOM 0 H ASN A 27 116.359 -17.470 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 27 117.807 -18.493 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 27 115.751 -19.807 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 27 116.620 -20.652 -6.117 1.00 0.00 H new ATOM 0 HD21 ASN A 27 113.258 -19.025 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 27 113.632 -19.824 -6.455 1.00 0.00 H new ATOM 409 N LYS A 28 118.776 -18.504 -8.502 1.00 0.00 N ATOM 410 CA LYS A 28 119.814 -18.988 -9.459 1.00 0.00 C ATOM 411 C LYS A 28 121.145 -19.164 -8.724 1.00 0.00 C ATOM 412 O LYS A 28 121.377 -20.161 -8.068 1.00 0.00 O ATOM 413 CB LYS A 28 119.984 -17.959 -10.580 1.00 0.00 C ATOM 414 CG LYS A 28 118.684 -17.851 -11.378 1.00 0.00 C ATOM 415 CD LYS A 28 118.859 -16.839 -12.513 1.00 0.00 C ATOM 416 CE LYS A 28 118.940 -15.424 -11.931 1.00 0.00 C ATOM 417 NZ LYS A 28 118.666 -14.429 -13.005 1.00 0.00 N ATOM 0 H LYS A 28 118.362 -17.600 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 28 119.505 -19.944 -9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 28 120.246 -16.988 -10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 28 120.802 -18.254 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 118.414 -18.825 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 28 117.869 -17.541 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 28 119.764 -17.063 -13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 118.023 -16.910 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 28 118.218 -15.310 -11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 28 119.928 -15.251 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 118.370 -13.529 -12.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 119.528 -14.279 -13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 117.908 -14.784 -13.622 1.00 0.00 H new ATOM 431 N SER A 29 122.025 -18.205 -8.828 1.00 0.00 N ATOM 432 CA SER A 29 123.339 -18.316 -8.133 1.00 0.00 C ATOM 433 C SER A 29 123.770 -16.929 -7.647 1.00 0.00 C ATOM 434 O SER A 29 124.707 -16.346 -8.155 1.00 0.00 O ATOM 435 CB SER A 29 124.385 -18.865 -9.101 1.00 0.00 C ATOM 436 OG SER A 29 125.643 -18.934 -8.443 1.00 0.00 O ATOM 0 H SER A 29 121.890 -17.348 -9.365 1.00 0.00 H new ATOM 0 HA SER A 29 123.247 -18.991 -7.282 1.00 0.00 H new ATOM 0 HB2 SER A 29 124.090 -19.854 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 29 124.456 -18.224 -9.980 1.00 0.00 H new ATOM 0 HG SER A 29 126.316 -19.287 -9.061 1.00 0.00 H new ATOM 442 N SER A 30 123.091 -16.399 -6.665 1.00 0.00 N ATOM 443 CA SER A 30 123.463 -15.050 -6.146 1.00 0.00 C ATOM 444 C SER A 30 124.753 -15.152 -5.327 1.00 0.00 C ATOM 445 O SER A 30 124.953 -16.087 -4.575 1.00 0.00 O ATOM 446 CB SER A 30 122.336 -14.524 -5.257 1.00 0.00 C ATOM 447 OG SER A 30 121.978 -15.527 -4.314 1.00 0.00 O ATOM 0 H SER A 30 122.297 -16.840 -6.201 1.00 0.00 H new ATOM 0 HA SER A 30 123.620 -14.369 -6.982 1.00 0.00 H new ATOM 0 HB2 SER A 30 122.656 -13.619 -4.740 1.00 0.00 H new ATOM 0 HB3 SER A 30 121.472 -14.255 -5.865 1.00 0.00 H new ATOM 0 HG SER A 30 121.257 -15.194 -3.740 1.00 0.00 H new ATOM 453 N ASN A 31 125.633 -14.195 -5.465 1.00 0.00 N ATOM 454 CA ASN A 31 126.909 -14.241 -4.694 1.00 0.00 C ATOM 455 C ASN A 31 126.620 -14.071 -3.203 1.00 0.00 C ATOM 456 O ASN A 31 127.040 -14.863 -2.384 1.00 0.00 O ATOM 457 CB ASN A 31 127.827 -13.108 -5.164 1.00 0.00 C ATOM 458 CG ASN A 31 129.118 -13.121 -4.343 1.00 0.00 C ATOM 459 OD1 ASN A 31 129.598 -14.169 -3.960 1.00 0.00 O ATOM 460 ND2 ASN A 31 129.705 -11.992 -4.055 1.00 0.00 N ATOM 0 H ASN A 31 125.523 -13.386 -6.077 1.00 0.00 H new ATOM 0 HA ASN A 31 127.395 -15.203 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 31 128.056 -13.227 -6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 31 127.323 -12.148 -5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 31 130.566 -11.990 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 31 129.303 -11.111 -4.376 1.00 0.00 H new ATOM 467 N ASN A 32 125.902 -13.045 -2.839 1.00 0.00 N ATOM 468 CA ASN A 32 125.582 -12.827 -1.400 1.00 0.00 C ATOM 469 C ASN A 32 124.683 -13.958 -0.897 1.00 0.00 C ATOM 470 O ASN A 32 123.610 -14.187 -1.419 1.00 0.00 O ATOM 471 CB ASN A 32 124.856 -11.489 -1.231 1.00 0.00 C ATOM 472 CG ASN A 32 125.840 -10.342 -1.463 1.00 0.00 C ATOM 473 OD1 ASN A 32 127.038 -10.534 -1.411 1.00 0.00 O ATOM 474 ND2 ASN A 32 125.382 -9.147 -1.718 1.00 0.00 N ATOM 0 H ASN A 32 125.522 -12.346 -3.478 1.00 0.00 H new ATOM 0 HA ASN A 32 126.508 -12.814 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 32 124.028 -11.421 -1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.429 -11.419 -0.231 1.00 0.00 H new ATOM 0 HD21 ASN A 32 126.030 -8.375 -1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 32 124.376 -8.985 -1.762 1.00 0.00 H new ATOM 481 N GLN A 33 125.116 -14.674 0.106 1.00 0.00 N ATOM 482 CA GLN A 33 124.284 -15.790 0.639 1.00 0.00 C ATOM 483 C GLN A 33 122.848 -15.311 0.825 1.00 0.00 C ATOM 484 O GLN A 33 122.508 -14.180 0.522 1.00 0.00 O ATOM 485 CB GLN A 33 124.847 -16.255 1.983 1.00 0.00 C ATOM 486 CG GLN A 33 125.345 -15.045 2.777 1.00 0.00 C ATOM 487 CD GLN A 33 125.352 -15.382 4.270 1.00 0.00 C ATOM 488 OE1 GLN A 33 124.543 -16.162 4.731 1.00 0.00 O ATOM 489 NE2 GLN A 33 126.238 -14.825 5.050 1.00 0.00 N ATOM 0 H GLN A 33 126.009 -14.534 0.578 1.00 0.00 H new ATOM 0 HA GLN A 33 124.301 -16.621 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 33 124.078 -16.782 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 33 125.664 -16.959 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.348 -14.770 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.702 -14.185 2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 33 126.918 -14.170 4.664 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.251 -15.045 6.046 1.00 0.00 H new ATOM 498 N GLN A 34 121.979 -16.156 1.314 1.00 0.00 N ATOM 499 CA GLN A 34 120.562 -15.744 1.508 1.00 0.00 C ATOM 500 C GLN A 34 120.493 -14.539 2.442 1.00 0.00 C ATOM 501 O GLN A 34 119.451 -14.213 2.970 1.00 0.00 O ATOM 502 CB GLN A 34 119.770 -16.909 2.114 1.00 0.00 C ATOM 503 CG GLN A 34 120.537 -17.487 3.301 1.00 0.00 C ATOM 504 CD GLN A 34 119.766 -18.677 3.877 1.00 0.00 C ATOM 505 OE1 GLN A 34 119.399 -19.584 3.156 1.00 0.00 O ATOM 506 NE2 GLN A 34 119.500 -18.710 5.154 1.00 0.00 N ATOM 0 H GLN A 34 122.192 -17.115 1.587 1.00 0.00 H new ATOM 0 HA GLN A 34 120.133 -15.472 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 34 118.787 -16.565 2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 34 119.607 -17.681 1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 34 121.532 -17.803 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 34 120.673 -16.723 4.067 1.00 0.00 H new ATOM 0 HE21 GLN A 34 119.808 -17.949 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 34 118.984 -19.497 5.547 1.00 0.00 H new ATOM 515 N ASP A 35 121.598 -13.871 2.644 1.00 0.00 N ATOM 516 CA ASP A 35 121.602 -12.679 3.533 1.00 0.00 C ATOM 517 C ASP A 35 122.000 -11.445 2.723 1.00 0.00 C ATOM 518 O ASP A 35 123.163 -11.219 2.450 1.00 0.00 O ATOM 519 CB ASP A 35 122.613 -12.889 4.659 1.00 0.00 C ATOM 520 CG ASP A 35 122.108 -13.978 5.606 1.00 0.00 C ATOM 521 OD1 ASP A 35 120.931 -14.293 5.540 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.906 -14.481 6.378 1.00 0.00 O ATOM 0 H ASP A 35 122.500 -14.103 2.228 1.00 0.00 H new ATOM 0 HA ASP A 35 120.607 -12.536 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 35 123.580 -13.173 4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.762 -11.958 5.206 1.00 0.00 H new ATOM 527 N ILE A 36 121.050 -10.635 2.343 1.00 0.00 N ATOM 528 CA ILE A 36 121.393 -9.415 1.558 1.00 0.00 C ATOM 529 C ILE A 36 121.355 -8.203 2.486 1.00 0.00 C ATOM 530 O ILE A 36 120.376 -7.962 3.161 1.00 0.00 O ATOM 531 CB ILE A 36 120.373 -9.221 0.431 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.286 -10.501 -0.408 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.814 -8.059 -0.462 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.683 -10.898 -0.891 1.00 0.00 C ATOM 0 H ILE A 36 120.058 -10.763 2.540 1.00 0.00 H new ATOM 0 HA ILE A 36 122.388 -9.525 1.127 1.00 0.00 H new ATOM 0 HB ILE A 36 119.396 -9.001 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.853 -11.307 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.627 -10.344 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.089 -7.921 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.877 -7.147 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.791 -8.280 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.617 -11.808 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.099 -10.095 -1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.329 -11.074 -0.031 1.00 0.00 H new ATOM 546 N VAL A 37 122.415 -7.442 2.534 1.00 0.00 N ATOM 547 CA VAL A 37 122.430 -6.248 3.428 1.00 0.00 C ATOM 548 C VAL A 37 122.668 -4.983 2.608 1.00 0.00 C ATOM 549 O VAL A 37 123.603 -4.897 1.832 1.00 0.00 O ATOM 550 CB VAL A 37 123.548 -6.396 4.458 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.742 -5.067 5.193 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.175 -7.485 5.465 1.00 0.00 C ATOM 0 H VAL A 37 123.268 -7.594 1.996 1.00 0.00 H new ATOM 0 HA VAL A 37 121.468 -6.173 3.935 1.00 0.00 H new ATOM 0 HB VAL A 37 124.473 -6.672 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.540 -5.171 5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.008 -4.290 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.816 -4.792 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 37 123.973 -7.590 6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.250 -7.211 5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.036 -8.431 4.943 1.00 0.00 H new ATOM 562 N CYS A 38 121.848 -3.985 2.796 1.00 0.00 N ATOM 563 CA CYS A 38 122.050 -2.712 2.052 1.00 0.00 C ATOM 564 C CYS A 38 122.726 -1.710 2.983 1.00 0.00 C ATOM 565 O CYS A 38 122.089 -1.084 3.809 1.00 0.00 O ATOM 566 CB CYS A 38 120.695 -2.149 1.614 1.00 0.00 C ATOM 567 SG CYS A 38 119.964 -3.221 0.351 1.00 0.00 S ATOM 0 H CYS A 38 121.050 -3.997 3.431 1.00 0.00 H new ATOM 0 HA CYS A 38 122.667 -2.893 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.027 -2.075 2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.820 -1.140 1.220 1.00 0.00 H new ATOM 572 N THR A 39 124.015 -1.546 2.865 1.00 0.00 N ATOM 573 CA THR A 39 124.725 -0.583 3.754 1.00 0.00 C ATOM 574 C THR A 39 124.875 0.759 3.036 1.00 0.00 C ATOM 575 O THR A 39 125.481 0.851 1.985 1.00 0.00 O ATOM 576 CB THR A 39 126.111 -1.136 4.103 1.00 0.00 C ATOM 577 OG1 THR A 39 125.964 -2.346 4.832 1.00 0.00 O ATOM 578 CG2 THR A 39 126.869 -0.113 4.951 1.00 0.00 C ATOM 0 H THR A 39 124.606 -2.036 2.193 1.00 0.00 H new ATOM 0 HA THR A 39 124.150 -0.442 4.669 1.00 0.00 H new ATOM 0 HB THR A 39 126.670 -1.330 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.849 -2.703 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.855 -0.506 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.979 0.815 4.390 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.314 0.082 5.869 1.00 0.00 H new ATOM 586 N VAL A 40 124.344 1.804 3.608 1.00 0.00 N ATOM 587 CA VAL A 40 124.462 3.146 2.972 1.00 0.00 C ATOM 588 C VAL A 40 124.688 4.199 4.056 1.00 0.00 C ATOM 589 O VAL A 40 124.323 4.009 5.200 1.00 0.00 O ATOM 590 CB VAL A 40 123.171 3.463 2.208 1.00 0.00 C ATOM 591 CG1 VAL A 40 123.030 2.509 1.020 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.968 3.291 3.141 1.00 0.00 C ATOM 0 H VAL A 40 123.832 1.786 4.490 1.00 0.00 H new ATOM 0 HA VAL A 40 125.303 3.151 2.278 1.00 0.00 H new ATOM 0 HB VAL A 40 123.210 4.491 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.112 2.736 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.884 2.629 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.994 1.481 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.051 3.517 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.932 2.263 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.064 3.971 3.988 1.00 0.00 H new ATOM 602 N LYS A 41 125.279 5.310 3.711 1.00 0.00 N ATOM 603 CA LYS A 41 125.514 6.372 4.730 1.00 0.00 C ATOM 604 C LYS A 41 124.385 7.403 4.659 1.00 0.00 C ATOM 605 O LYS A 41 124.055 7.905 3.603 1.00 0.00 O ATOM 606 CB LYS A 41 126.853 7.057 4.455 1.00 0.00 C ATOM 607 CG LYS A 41 127.989 6.059 4.681 1.00 0.00 C ATOM 608 CD LYS A 41 129.328 6.739 4.389 1.00 0.00 C ATOM 609 CE LYS A 41 129.418 7.077 2.898 1.00 0.00 C ATOM 610 NZ LYS A 41 128.985 8.487 2.684 1.00 0.00 N ATOM 0 H LYS A 41 125.608 5.528 2.771 1.00 0.00 H new ATOM 0 HA LYS A 41 125.535 5.925 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.880 7.430 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.975 7.919 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.970 5.696 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.860 5.192 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.424 7.647 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 41 130.150 6.083 4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 41 130.440 6.941 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 41 128.788 6.400 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 128.231 8.514 1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 128.627 8.880 3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 129.794 9.053 2.356 1.00 0.00 H new ATOM 624 N ALA A 42 123.789 7.719 5.775 1.00 0.00 N ATOM 625 CA ALA A 42 122.678 8.711 5.771 1.00 0.00 C ATOM 626 C ALA A 42 123.205 10.074 6.220 1.00 0.00 C ATOM 627 O ALA A 42 124.188 10.166 6.927 1.00 0.00 O ATOM 628 CB ALA A 42 121.581 8.246 6.731 1.00 0.00 C ATOM 0 H ALA A 42 124.023 7.333 6.690 1.00 0.00 H new ATOM 0 HA ALA A 42 122.270 8.796 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.766 8.970 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.204 7.275 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.990 8.161 7.738 1.00 0.00 H new ATOM 634 N HIS A 43 122.560 11.135 5.811 1.00 0.00 N ATOM 635 CA HIS A 43 123.026 12.496 6.213 1.00 0.00 C ATOM 636 C HIS A 43 121.865 13.269 6.848 1.00 0.00 C ATOM 637 O HIS A 43 120.711 13.035 6.550 1.00 0.00 O ATOM 638 CB HIS A 43 123.527 13.247 4.979 1.00 0.00 C ATOM 639 CG HIS A 43 124.413 14.382 5.410 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.912 15.645 5.697 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.770 14.463 5.605 1.00 0.00 C ATOM 642 CE1 HIS A 43 124.953 16.425 6.045 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.104 15.752 6.005 1.00 0.00 N ATOM 0 H HIS A 43 121.731 11.119 5.216 1.00 0.00 H new ATOM 0 HA HIS A 43 123.836 12.404 6.936 1.00 0.00 H new ATOM 0 HB2 HIS A 43 124.077 12.569 4.326 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.683 13.628 4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.469 13.651 5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 43 124.867 17.465 6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.035 16.108 6.222 1.00 0.00 H new ATOM 652 N ALA A 44 122.165 14.182 7.729 1.00 0.00 N ATOM 653 CA ALA A 44 121.088 14.966 8.398 1.00 0.00 C ATOM 654 C ALA A 44 120.202 15.635 7.343 1.00 0.00 C ATOM 655 O ALA A 44 119.051 15.936 7.588 1.00 0.00 O ATOM 656 CB ALA A 44 121.723 16.041 9.284 1.00 0.00 C ATOM 0 H ALA A 44 123.114 14.420 8.016 1.00 0.00 H new ATOM 0 HA ALA A 44 120.479 14.298 9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.939 16.617 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.352 15.567 10.038 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.331 16.706 8.670 1.00 0.00 H new ATOM 662 N ASN A 45 120.728 15.873 6.176 1.00 0.00 N ATOM 663 CA ASN A 45 119.912 16.526 5.112 1.00 0.00 C ATOM 664 C ASN A 45 119.376 15.464 4.150 1.00 0.00 C ATOM 665 O ASN A 45 118.373 15.658 3.494 1.00 0.00 O ATOM 666 CB ASN A 45 120.787 17.513 4.335 1.00 0.00 C ATOM 667 CG ASN A 45 121.111 18.720 5.218 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.435 18.971 6.195 1.00 0.00 O ATOM 669 ND2 ASN A 45 122.126 19.483 4.913 1.00 0.00 N ATOM 0 H ASN A 45 121.686 15.645 5.911 1.00 0.00 H new ATOM 0 HA ASN A 45 119.077 17.055 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.708 17.025 4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 45 120.271 17.839 3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.351 20.290 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.694 19.272 4.092 1.00 0.00 H new ATOM 676 N ASP A 46 120.045 14.348 4.056 1.00 0.00 N ATOM 677 CA ASP A 46 119.585 13.278 3.130 1.00 0.00 C ATOM 678 C ASP A 46 118.356 12.574 3.707 1.00 0.00 C ATOM 679 O ASP A 46 118.311 12.240 4.874 1.00 0.00 O ATOM 680 CB ASP A 46 120.709 12.253 2.951 1.00 0.00 C ATOM 681 CG ASP A 46 121.761 12.804 1.983 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.460 13.768 1.300 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.849 12.253 1.946 1.00 0.00 O ATOM 0 H ASP A 46 120.892 14.132 4.582 1.00 0.00 H new ATOM 0 HA ASP A 46 119.325 13.724 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.168 12.031 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.303 11.317 2.568 1.00 0.00 H new ATOM 688 N LEU A 47 117.360 12.333 2.894 1.00 0.00 N ATOM 689 CA LEU A 47 116.143 11.632 3.396 1.00 0.00 C ATOM 690 C LEU A 47 116.463 10.142 3.520 1.00 0.00 C ATOM 691 O LEU A 47 117.215 9.595 2.733 1.00 0.00 O ATOM 692 CB LEU A 47 114.987 11.826 2.412 1.00 0.00 C ATOM 693 CG LEU A 47 114.766 13.320 2.160 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.639 13.500 1.142 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.381 14.012 3.469 1.00 0.00 C ATOM 0 H LEU A 47 117.338 12.591 1.907 1.00 0.00 H new ATOM 0 HA LEU A 47 115.852 12.039 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.207 11.318 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.078 11.377 2.812 1.00 0.00 H new ATOM 0 HG LEU A 47 115.685 13.762 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.479 14.563 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.911 13.009 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.723 13.057 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 47 114.224 15.075 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.463 13.571 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 47 115.181 13.883 4.198 1.00 0.00 H new ATOM 707 N ILE A 48 115.906 9.473 4.496 1.00 0.00 N ATOM 708 CA ILE A 48 116.197 8.017 4.655 1.00 0.00 C ATOM 709 C ILE A 48 114.905 7.200 4.552 1.00 0.00 C ATOM 710 O ILE A 48 113.861 7.600 5.026 1.00 0.00 O ATOM 711 CB ILE A 48 116.832 7.782 6.029 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.913 8.334 7.122 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.185 8.489 6.099 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.452 7.933 8.498 1.00 0.00 C ATOM 0 H ILE A 48 115.267 9.868 5.185 1.00 0.00 H new ATOM 0 HA ILE A 48 116.878 7.702 3.865 1.00 0.00 H new ATOM 0 HB ILE A 48 116.974 6.712 6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.853 9.420 7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.902 7.949 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.634 8.320 7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.843 8.094 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.045 9.559 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.796 8.327 9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.489 6.846 8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.455 8.340 8.629 1.00 0.00 H new ATOM 726 N GLY A 49 114.978 6.055 3.930 1.00 0.00 N ATOM 727 CA GLY A 49 113.762 5.201 3.789 1.00 0.00 C ATOM 728 C GLY A 49 114.116 3.945 2.987 1.00 0.00 C ATOM 729 O GLY A 49 115.261 3.715 2.656 1.00 0.00 O ATOM 0 H GLY A 49 115.827 5.673 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.382 4.924 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.970 5.756 3.286 1.00 0.00 H new ATOM 733 N PHE A 50 113.146 3.129 2.670 1.00 0.00 N ATOM 734 CA PHE A 50 113.442 1.895 1.886 1.00 0.00 C ATOM 735 C PHE A 50 112.132 1.242 1.435 1.00 0.00 C ATOM 736 O PHE A 50 111.059 1.620 1.864 1.00 0.00 O ATOM 737 CB PHE A 50 114.240 0.913 2.743 1.00 0.00 C ATOM 738 CG PHE A 50 113.357 0.357 3.833 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.279 1.005 5.071 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.619 -0.811 3.606 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.462 0.485 6.082 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.804 -1.331 4.617 1.00 0.00 C ATOM 743 CZ PHE A 50 111.725 -0.683 5.855 1.00 0.00 C ATOM 0 H PHE A 50 112.166 3.263 2.919 1.00 0.00 H new ATOM 0 HA PHE A 50 114.031 2.163 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.623 0.103 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.103 1.415 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.849 1.906 5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.679 -1.310 2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.400 0.985 7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.236 -2.233 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.095 -1.084 6.635 1.00 0.00 H new ATOM 753 N LYS A 51 112.212 0.264 0.569 1.00 0.00 N ATOM 754 CA LYS A 51 110.970 -0.409 0.088 1.00 0.00 C ATOM 755 C LYS A 51 111.256 -1.887 -0.188 1.00 0.00 C ATOM 756 O LYS A 51 112.328 -2.255 -0.639 1.00 0.00 O ATOM 757 CB LYS A 51 110.492 0.271 -1.195 1.00 0.00 C ATOM 758 CG LYS A 51 109.247 -0.442 -1.724 1.00 0.00 C ATOM 759 CD LYS A 51 108.733 0.288 -2.966 1.00 0.00 C ATOM 760 CE LYS A 51 107.468 -0.404 -3.481 1.00 0.00 C ATOM 761 NZ LYS A 51 107.781 -1.817 -3.830 1.00 0.00 N ATOM 0 H LYS A 51 113.082 -0.096 0.176 1.00 0.00 H new ATOM 0 HA LYS A 51 110.196 -0.332 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.267 1.320 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.282 0.249 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.484 -1.477 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.474 -0.465 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.518 1.329 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.499 0.292 -3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 51 106.687 -0.371 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.084 0.121 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.054 -2.184 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.711 -1.862 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.797 -2.393 -2.964 1.00 0.00 H new ATOM 775 N CYS A 52 110.299 -2.740 0.068 1.00 0.00 N ATOM 776 CA CYS A 52 110.487 -4.199 -0.184 1.00 0.00 C ATOM 777 C CYS A 52 109.362 -4.686 -1.111 1.00 0.00 C ATOM 778 O CYS A 52 108.286 -4.120 -1.130 1.00 0.00 O ATOM 779 CB CYS A 52 110.411 -4.949 1.152 1.00 0.00 C ATOM 780 SG CYS A 52 111.910 -4.631 2.120 1.00 0.00 S ATOM 0 H CYS A 52 109.386 -2.485 0.445 1.00 0.00 H new ATOM 0 HA CYS A 52 111.455 -4.382 -0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.532 -4.628 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.302 -6.019 0.973 1.00 0.00 H new ATOM 785 N PRO A 53 109.597 -5.727 -1.868 1.00 0.00 N ATOM 786 CA PRO A 53 108.573 -6.281 -2.804 1.00 0.00 C ATOM 787 C PRO A 53 107.233 -6.539 -2.102 1.00 0.00 C ATOM 788 O PRO A 53 107.184 -6.852 -0.932 1.00 0.00 O ATOM 789 CB PRO A 53 109.190 -7.598 -3.309 1.00 0.00 C ATOM 790 CG PRO A 53 110.391 -7.850 -2.450 1.00 0.00 C ATOM 791 CD PRO A 53 110.846 -6.491 -1.929 1.00 0.00 C ATOM 0 HA PRO A 53 108.346 -5.584 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.476 -8.418 -3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.471 -7.519 -4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.144 -8.518 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.184 -8.330 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.318 -6.571 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.572 -6.025 -2.596 1.00 0.00 H new ATOM 799 N SER A 54 106.149 -6.389 -2.813 1.00 0.00 N ATOM 800 CA SER A 54 104.806 -6.602 -2.201 1.00 0.00 C ATOM 801 C SER A 54 104.599 -8.080 -1.855 1.00 0.00 C ATOM 802 O SER A 54 103.679 -8.434 -1.143 1.00 0.00 O ATOM 803 CB SER A 54 103.729 -6.160 -3.189 1.00 0.00 C ATOM 804 OG SER A 54 102.450 -6.300 -2.583 1.00 0.00 O ATOM 0 H SER A 54 106.136 -6.126 -3.798 1.00 0.00 H new ATOM 0 HA SER A 54 104.740 -6.015 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.893 -5.124 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.782 -6.762 -4.096 1.00 0.00 H new ATOM 0 HG SER A 54 102.497 -6.971 -1.870 1.00 0.00 H new ATOM 810 N ASN A 55 105.426 -8.951 -2.360 1.00 0.00 N ATOM 811 CA ASN A 55 105.245 -10.402 -2.064 1.00 0.00 C ATOM 812 C ASN A 55 106.019 -10.785 -0.798 1.00 0.00 C ATOM 813 O ASN A 55 105.990 -11.914 -0.369 1.00 0.00 O ATOM 814 CB ASN A 55 105.774 -11.228 -3.240 1.00 0.00 C ATOM 815 CG ASN A 55 104.959 -10.914 -4.496 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.746 -10.995 -4.484 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.578 -10.552 -5.586 1.00 0.00 N ATOM 0 H ASN A 55 106.217 -8.724 -2.963 1.00 0.00 H new ATOM 0 HA ASN A 55 104.184 -10.602 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.827 -11.002 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.709 -12.291 -3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 55 105.044 -10.337 -6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.596 -10.484 -5.596 1.00 0.00 H new ATOM 824 N TYR A 56 106.704 -9.850 -0.195 1.00 0.00 N ATOM 825 CA TYR A 56 107.474 -10.160 1.044 1.00 0.00 C ATOM 826 C TYR A 56 106.811 -9.501 2.257 1.00 0.00 C ATOM 827 O TYR A 56 105.989 -8.618 2.126 1.00 0.00 O ATOM 828 CB TYR A 56 108.903 -9.653 0.886 1.00 0.00 C ATOM 829 CG TYR A 56 109.707 -10.654 0.089 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.439 -10.850 -1.271 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.730 -11.379 0.713 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.191 -11.775 -2.006 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.483 -12.303 -0.023 1.00 0.00 C ATOM 834 CZ TYR A 56 111.213 -12.499 -1.383 1.00 0.00 C ATOM 835 OH TYR A 56 111.954 -13.410 -2.108 1.00 0.00 O ATOM 0 H TYR A 56 106.763 -8.881 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 56 107.487 -11.238 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.904 -8.686 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.357 -9.503 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.653 -10.288 -1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.938 -11.226 1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.982 -11.929 -3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.271 -12.864 0.458 1.00 0.00 H new ATOM 0 HH TYR A 56 111.847 -14.303 -1.718 1.00 0.00 H new ATOM 845 N SER A 57 107.179 -9.920 3.442 1.00 0.00 N ATOM 846 CA SER A 57 106.584 -9.311 4.668 1.00 0.00 C ATOM 847 C SER A 57 107.611 -8.382 5.321 1.00 0.00 C ATOM 848 O SER A 57 108.772 -8.720 5.447 1.00 0.00 O ATOM 849 CB SER A 57 106.201 -10.419 5.649 1.00 0.00 C ATOM 850 OG SER A 57 105.019 -11.063 5.190 1.00 0.00 O ATOM 0 H SER A 57 107.864 -10.656 3.612 1.00 0.00 H new ATOM 0 HA SER A 57 105.695 -8.740 4.400 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.013 -11.141 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 57 106.039 -10.001 6.643 1.00 0.00 H new ATOM 0 HG SER A 57 104.771 -11.776 5.815 1.00 0.00 H new ATOM 856 N VAL A 58 107.201 -7.213 5.733 1.00 0.00 N ATOM 857 CA VAL A 58 108.172 -6.275 6.364 1.00 0.00 C ATOM 858 C VAL A 58 108.219 -6.495 7.880 1.00 0.00 C ATOM 859 O VAL A 58 107.246 -6.313 8.584 1.00 0.00 O ATOM 860 CB VAL A 58 107.760 -4.830 6.067 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.349 -4.706 4.599 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.580 -4.433 6.959 1.00 0.00 C ATOM 0 H VAL A 58 106.243 -6.869 5.661 1.00 0.00 H new ATOM 0 HA VAL A 58 109.162 -6.465 5.950 1.00 0.00 H new ATOM 0 HB VAL A 58 108.603 -4.169 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.056 -3.677 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.189 -4.982 3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.509 -5.371 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.291 -3.404 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.737 -5.095 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.871 -4.516 8.006 1.00 0.00 H new ATOM 872 N GLU A 59 109.364 -6.868 8.382 1.00 0.00 N ATOM 873 CA GLU A 59 109.524 -7.089 9.848 1.00 0.00 C ATOM 874 C GLU A 59 110.668 -6.199 10.338 1.00 0.00 C ATOM 875 O GLU A 59 111.749 -6.226 9.781 1.00 0.00 O ATOM 876 CB GLU A 59 109.883 -8.556 10.116 1.00 0.00 C ATOM 877 CG GLU A 59 108.619 -9.420 10.096 1.00 0.00 C ATOM 878 CD GLU A 59 108.969 -10.832 9.618 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.831 -11.445 10.226 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.370 -11.274 8.652 1.00 0.00 O ATOM 0 H GLU A 59 110.207 -7.031 7.831 1.00 0.00 H new ATOM 0 HA GLU A 59 108.596 -6.849 10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.586 -8.910 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.379 -8.646 11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.179 -9.461 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.873 -8.976 9.436 1.00 0.00 H new ATOM 887 N PRO A 60 110.452 -5.409 11.360 1.00 0.00 N ATOM 888 CA PRO A 60 111.508 -4.508 11.885 1.00 0.00 C ATOM 889 C PRO A 60 112.525 -5.254 12.751 1.00 0.00 C ATOM 890 O PRO A 60 112.209 -5.734 13.814 1.00 0.00 O ATOM 891 CB PRO A 60 110.726 -3.508 12.736 1.00 0.00 C ATOM 892 CG PRO A 60 109.532 -4.264 13.215 1.00 0.00 C ATOM 893 CD PRO A 60 109.195 -5.278 12.121 1.00 0.00 C ATOM 0 HA PRO A 60 112.089 -4.050 11.085 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.326 -3.146 13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.433 -2.636 12.152 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.744 -4.767 14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.693 -3.592 13.393 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.882 -6.233 12.544 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.380 -4.927 11.488 1.00 0.00 H new ATOM 901 N HIS A 61 113.747 -5.337 12.309 1.00 0.00 N ATOM 902 CA HIS A 61 114.784 -6.031 13.119 1.00 0.00 C ATOM 903 C HIS A 61 115.458 -4.992 14.014 1.00 0.00 C ATOM 904 O HIS A 61 115.987 -5.299 15.063 1.00 0.00 O ATOM 905 CB HIS A 61 115.819 -6.680 12.197 1.00 0.00 C ATOM 906 CG HIS A 61 116.553 -7.754 12.951 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.166 -7.514 14.173 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.786 -9.078 12.670 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.730 -8.666 14.579 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.528 -9.648 13.699 1.00 0.00 N ATOM 0 H HIS A 61 114.073 -4.954 11.421 1.00 0.00 H new ATOM 0 HA HIS A 61 114.329 -6.813 13.727 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.327 -7.105 11.322 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.521 -5.929 11.835 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.185 -6.625 14.673 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.445 -9.597 11.786 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.278 -8.781 15.502 1.00 0.00 H new ATOM 919 N ASP A 62 115.433 -3.758 13.596 1.00 0.00 N ATOM 920 CA ASP A 62 116.052 -2.666 14.394 1.00 0.00 C ATOM 921 C ASP A 62 115.700 -1.330 13.737 1.00 0.00 C ATOM 922 O ASP A 62 116.510 -0.432 13.658 1.00 0.00 O ATOM 923 CB ASP A 62 117.573 -2.846 14.428 1.00 0.00 C ATOM 924 CG ASP A 62 118.197 -1.760 15.306 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.471 -0.869 15.715 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.389 -1.838 15.557 1.00 0.00 O ATOM 0 H ASP A 62 115.003 -3.456 12.722 1.00 0.00 H new ATOM 0 HA ASP A 62 115.676 -2.689 15.417 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.824 -3.832 14.818 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.979 -2.790 13.418 1.00 0.00 H new ATOM 931 N CYS A 63 114.490 -1.204 13.257 1.00 0.00 N ATOM 932 CA CYS A 63 114.066 0.061 12.590 1.00 0.00 C ATOM 933 C CYS A 63 114.162 1.227 13.578 1.00 0.00 C ATOM 934 O CYS A 63 114.953 1.199 14.500 1.00 0.00 O ATOM 935 CB CYS A 63 112.626 -0.089 12.093 1.00 0.00 C ATOM 936 SG CYS A 63 112.555 -1.387 10.831 1.00 0.00 S ATOM 0 H CYS A 63 113.773 -1.929 13.299 1.00 0.00 H new ATOM 0 HA CYS A 63 114.721 0.265 11.743 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.967 -0.339 12.925 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.273 0.855 11.679 1.00 0.00 H new ATOM 941 N PHE A 64 113.380 2.263 13.390 1.00 0.00 N ATOM 942 CA PHE A 64 113.456 3.429 14.322 1.00 0.00 C ATOM 943 C PHE A 64 112.205 3.511 15.217 1.00 0.00 C ATOM 944 O PHE A 64 112.311 3.527 16.426 1.00 0.00 O ATOM 945 CB PHE A 64 113.607 4.722 13.517 1.00 0.00 C ATOM 946 CG PHE A 64 112.738 4.668 12.285 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.205 4.034 11.126 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.469 5.258 12.298 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.400 3.988 9.982 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.665 5.212 11.152 1.00 0.00 C ATOM 951 CZ PHE A 64 111.131 4.577 9.994 1.00 0.00 C ATOM 0 H PHE A 64 112.698 2.350 12.637 1.00 0.00 H new ATOM 0 HA PHE A 64 114.324 3.295 14.968 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.327 5.577 14.132 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.649 4.862 13.231 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.185 3.581 11.115 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.110 5.748 13.191 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.759 3.497 9.089 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.685 5.666 11.161 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.511 4.542 9.110 1.00 0.00 H new ATOM 961 N VAL A 65 111.025 3.570 14.651 1.00 0.00 N ATOM 962 CA VAL A 65 109.810 3.662 15.519 1.00 0.00 C ATOM 963 C VAL A 65 109.896 2.588 16.607 1.00 0.00 C ATOM 964 O VAL A 65 110.178 2.876 17.754 1.00 0.00 O ATOM 965 CB VAL A 65 108.544 3.439 14.682 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.380 3.069 15.607 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.197 4.722 13.927 1.00 0.00 C ATOM 0 H VAL A 65 110.851 3.559 13.646 1.00 0.00 H new ATOM 0 HA VAL A 65 109.763 4.652 15.972 1.00 0.00 H new ATOM 0 HB VAL A 65 108.719 2.632 13.970 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.480 2.910 15.013 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.623 2.155 16.150 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.208 3.878 16.317 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.297 4.562 13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.023 5.528 14.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.023 4.992 13.269 1.00 0.00 H new ATOM 977 N SER A 66 109.675 1.354 16.246 1.00 0.00 N ATOM 978 CA SER A 66 109.758 0.250 17.242 1.00 0.00 C ATOM 979 C SER A 66 110.499 -0.920 16.599 1.00 0.00 C ATOM 980 O SER A 66 110.197 -1.313 15.490 1.00 0.00 O ATOM 981 CB SER A 66 108.348 -0.191 17.646 1.00 0.00 C ATOM 982 OG SER A 66 108.437 -1.156 18.687 1.00 0.00 O ATOM 0 H SER A 66 109.439 1.062 15.298 1.00 0.00 H new ATOM 0 HA SER A 66 110.288 0.587 18.133 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.768 0.669 17.980 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.826 -0.613 16.787 1.00 0.00 H new ATOM 0 HG SER A 66 107.536 -1.439 18.949 1.00 0.00 H new ATOM 988 N ALA A 67 111.472 -1.475 17.266 1.00 0.00 N ATOM 989 CA ALA A 67 112.222 -2.606 16.652 1.00 0.00 C ATOM 990 C ALA A 67 113.198 -3.214 17.666 1.00 0.00 C ATOM 991 O ALA A 67 113.288 -2.779 18.796 1.00 0.00 O ATOM 992 CB ALA A 67 113.011 -2.084 15.451 1.00 0.00 C ATOM 0 H ALA A 67 111.778 -1.199 18.199 1.00 0.00 H new ATOM 0 HA ALA A 67 111.514 -3.373 16.338 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.564 -2.905 14.994 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.323 -1.659 14.720 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.710 -1.315 15.781 1.00 0.00 H new ATOM 998 N PHE A 68 113.924 -4.223 17.257 1.00 0.00 N ATOM 999 CA PHE A 68 114.896 -4.872 18.181 1.00 0.00 C ATOM 1000 C PHE A 68 116.266 -4.219 17.979 1.00 0.00 C ATOM 1001 O PHE A 68 116.735 -4.074 16.868 1.00 0.00 O ATOM 1002 CB PHE A 68 114.992 -6.365 17.856 1.00 0.00 C ATOM 1003 CG PHE A 68 113.610 -6.939 17.641 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.929 -6.688 16.442 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.013 -7.731 18.630 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.654 -7.228 16.234 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.737 -8.270 18.420 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.058 -8.018 17.221 1.00 0.00 C ATOM 0 H PHE A 68 113.884 -4.625 16.320 1.00 0.00 H new ATOM 0 HA PHE A 68 114.569 -4.751 19.214 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.599 -6.512 16.963 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.490 -6.891 18.670 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.388 -6.078 15.678 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.536 -7.926 19.554 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.130 -7.034 15.310 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.277 -8.880 19.183 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.074 -8.434 17.059 1.00 0.00 H new ATOM 1018 N ASN A 69 116.911 -3.813 19.037 1.00 0.00 N ATOM 1019 CA ASN A 69 118.242 -3.158 18.889 1.00 0.00 C ATOM 1020 C ASN A 69 119.313 -4.213 18.605 1.00 0.00 C ATOM 1021 O ASN A 69 119.020 -5.376 18.425 1.00 0.00 O ATOM 1022 CB ASN A 69 118.592 -2.412 20.177 1.00 0.00 C ATOM 1023 CG ASN A 69 117.683 -1.190 20.322 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.077 -0.753 19.364 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.566 -0.613 21.486 1.00 0.00 N ATOM 0 H ASN A 69 116.576 -3.906 19.996 1.00 0.00 H new ATOM 0 HA ASN A 69 118.202 -2.454 18.058 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.472 -3.072 21.036 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.637 -2.101 20.157 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.966 0.205 21.592 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.075 -0.980 22.290 1.00 0.00 H new ATOM 1032 N LEU A 70 120.554 -3.812 18.568 1.00 0.00 N ATOM 1033 CA LEU A 70 121.647 -4.789 18.301 1.00 0.00 C ATOM 1034 C LEU A 70 121.702 -5.804 19.445 1.00 0.00 C ATOM 1035 O LEU A 70 122.217 -6.894 19.299 1.00 0.00 O ATOM 1036 CB LEU A 70 122.984 -4.049 18.200 1.00 0.00 C ATOM 1037 CG LEU A 70 123.011 -3.209 16.919 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.164 -2.206 16.989 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.215 -4.125 15.708 1.00 0.00 C ATOM 0 H LEU A 70 120.859 -2.849 18.711 1.00 0.00 H new ATOM 0 HA LEU A 70 121.456 -5.308 17.362 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.123 -3.408 19.070 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.807 -4.763 18.196 1.00 0.00 H new ATOM 0 HG LEU A 70 122.066 -2.676 16.820 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.183 -1.609 16.077 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.025 -1.551 17.849 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.107 -2.743 17.091 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.234 -3.526 14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.160 -4.659 15.811 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.397 -4.843 15.653 1.00 0.00 H new ATOM 1051 N SER A 71 121.161 -5.454 20.581 1.00 0.00 N ATOM 1052 CA SER A 71 121.167 -6.399 21.733 1.00 0.00 C ATOM 1053 C SER A 71 119.988 -7.361 21.586 1.00 0.00 C ATOM 1054 O SER A 71 119.841 -8.303 22.340 1.00 0.00 O ATOM 1055 CB SER A 71 121.022 -5.615 23.038 1.00 0.00 C ATOM 1056 OG SER A 71 119.751 -4.979 23.063 1.00 0.00 O ATOM 0 H SER A 71 120.715 -4.554 20.760 1.00 0.00 H new ATOM 0 HA SER A 71 122.104 -6.956 21.750 1.00 0.00 H new ATOM 0 HB2 SER A 71 121.123 -6.285 23.892 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.815 -4.872 23.120 1.00 0.00 H new ATOM 0 HG SER A 71 119.653 -4.477 23.899 1.00 0.00 H new ATOM 1062 N GLY A 72 119.147 -7.127 20.614 1.00 0.00 N ATOM 1063 CA GLY A 72 117.973 -8.018 20.405 1.00 0.00 C ATOM 1064 C GLY A 72 116.858 -7.628 21.376 1.00 0.00 C ATOM 1065 O GLY A 72 115.959 -8.399 21.649 1.00 0.00 O ATOM 0 H GLY A 72 119.225 -6.353 19.954 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.620 -7.937 19.377 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.260 -9.058 20.562 1.00 0.00 H new ATOM 1069 N LYS A 73 116.908 -6.432 21.901 1.00 0.00 N ATOM 1070 CA LYS A 73 115.849 -5.987 22.853 1.00 0.00 C ATOM 1071 C LYS A 73 114.853 -5.088 22.114 1.00 0.00 C ATOM 1072 O LYS A 73 115.232 -4.269 21.304 1.00 0.00 O ATOM 1073 CB LYS A 73 116.495 -5.203 24.001 1.00 0.00 C ATOM 1074 CG LYS A 73 117.141 -6.180 24.989 1.00 0.00 C ATOM 1075 CD LYS A 73 116.102 -6.629 26.022 1.00 0.00 C ATOM 1076 CE LYS A 73 116.052 -5.620 27.171 1.00 0.00 C ATOM 1077 NZ LYS A 73 115.057 -6.070 28.186 1.00 0.00 N ATOM 0 H LYS A 73 117.637 -5.744 21.711 1.00 0.00 H new ATOM 0 HA LYS A 73 115.327 -6.855 23.256 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.245 -4.516 23.609 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.744 -4.598 24.510 1.00 0.00 H new ATOM 0 HG2 LYS A 73 117.535 -7.045 24.455 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.984 -5.703 25.490 1.00 0.00 H new ATOM 0 HD2 LYS A 73 115.121 -6.711 25.554 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.357 -7.618 26.404 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.037 -5.525 27.629 1.00 0.00 H new ATOM 0 HE3 LYS A 73 115.780 -4.635 26.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 115.023 -5.384 28.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 114.118 -6.139 27.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 115.335 -7.002 28.555 1.00 0.00 H new ATOM 1091 N ASN A 74 113.582 -5.240 22.380 1.00 0.00 N ATOM 1092 CA ASN A 74 112.568 -4.399 21.679 1.00 0.00 C ATOM 1093 C ASN A 74 112.413 -3.056 22.396 1.00 0.00 C ATOM 1094 O ASN A 74 111.925 -2.986 23.507 1.00 0.00 O ATOM 1095 CB ASN A 74 111.222 -5.130 21.662 1.00 0.00 C ATOM 1096 CG ASN A 74 110.208 -4.311 20.861 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.410 -3.136 20.626 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.118 -4.884 20.427 1.00 0.00 N ATOM 0 H ASN A 74 113.203 -5.909 23.051 1.00 0.00 H new ATOM 0 HA ASN A 74 112.899 -4.219 20.656 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.339 -6.119 21.219 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.863 -5.278 22.681 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.437 -4.345 19.891 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.947 -5.870 20.624 1.00 0.00 H new ATOM 1105 N GLU A 75 112.822 -1.987 21.764 1.00 0.00 N ATOM 1106 CA GLU A 75 112.699 -0.646 22.400 1.00 0.00 C ATOM 1107 C GLU A 75 112.528 0.430 21.323 1.00 0.00 C ATOM 1108 O GLU A 75 113.133 0.376 20.271 1.00 0.00 O ATOM 1109 CB GLU A 75 113.974 -0.347 23.203 1.00 0.00 C ATOM 1110 CG GLU A 75 113.836 1.004 23.910 1.00 0.00 C ATOM 1111 CD GLU A 75 115.089 1.276 24.745 1.00 0.00 C ATOM 1112 OE1 GLU A 75 115.839 0.342 24.975 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.281 2.416 25.136 1.00 0.00 O ATOM 0 H GLU A 75 113.237 -1.987 20.832 1.00 0.00 H new ATOM 0 HA GLU A 75 111.830 -0.642 23.059 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.147 -1.135 23.936 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.838 -0.334 22.539 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.696 1.798 23.176 1.00 0.00 H new ATOM 0 HG3 GLU A 75 112.953 1.003 24.550 1.00 0.00 H new ATOM 1120 N ASN A 76 111.696 1.401 21.572 1.00 0.00 N ATOM 1121 CA ASN A 76 111.477 2.475 20.557 1.00 0.00 C ATOM 1122 C ASN A 76 112.781 3.238 20.333 1.00 0.00 C ATOM 1123 O ASN A 76 113.598 3.348 21.221 1.00 0.00 O ATOM 1124 CB ASN A 76 110.393 3.444 21.058 1.00 0.00 C ATOM 1125 CG ASN A 76 109.003 2.855 20.794 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.881 1.757 20.289 1.00 0.00 O ATOM 1127 ND2 ASN A 76 107.941 3.550 21.106 1.00 0.00 N ATOM 0 H ASN A 76 111.157 1.500 22.432 1.00 0.00 H new ATOM 0 HA ASN A 76 111.154 2.026 19.618 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.523 3.628 22.124 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.492 4.405 20.554 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.012 3.170 20.925 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.041 4.472 21.530 1.00 0.00 H new ATOM 1134 N LEU A 77 112.990 3.750 19.150 1.00 0.00 N ATOM 1135 CA LEU A 77 114.254 4.499 18.868 1.00 0.00 C ATOM 1136 C LEU A 77 114.010 6.007 19.033 1.00 0.00 C ATOM 1137 O LEU A 77 114.857 6.819 18.718 1.00 0.00 O ATOM 1138 CB LEU A 77 114.706 4.212 17.432 1.00 0.00 C ATOM 1139 CG LEU A 77 116.193 4.546 17.269 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.035 3.599 18.133 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.592 4.380 15.800 1.00 0.00 C ATOM 0 H LEU A 77 112.342 3.683 18.365 1.00 0.00 H new ATOM 0 HA LEU A 77 115.027 4.179 19.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.533 3.163 17.191 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.114 4.802 16.732 1.00 0.00 H new ATOM 0 HG LEU A 77 116.368 5.575 17.585 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.091 3.840 18.014 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.752 3.713 19.180 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.860 2.569 17.820 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.649 4.617 15.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.414 3.351 15.489 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.998 5.054 15.183 1.00 0.00 H new ATOM 1153 N GLU A 78 112.858 6.388 19.515 1.00 0.00 N ATOM 1154 CA GLU A 78 112.571 7.843 19.684 1.00 0.00 C ATOM 1155 C GLU A 78 113.443 8.421 20.801 1.00 0.00 C ATOM 1156 O GLU A 78 113.964 9.512 20.691 1.00 0.00 O ATOM 1157 CB GLU A 78 111.090 8.041 20.022 1.00 0.00 C ATOM 1158 CG GLU A 78 110.789 7.466 21.407 1.00 0.00 C ATOM 1159 CD GLU A 78 109.287 7.570 21.682 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.681 8.512 21.200 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.770 6.707 22.372 1.00 0.00 O ATOM 0 H GLU A 78 112.106 5.759 19.798 1.00 0.00 H new ATOM 0 HA GLU A 78 112.799 8.363 18.753 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.841 9.102 19.998 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.469 7.551 19.273 1.00 0.00 H new ATOM 0 HG2 GLU A 78 111.109 6.425 21.459 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.348 8.009 22.169 1.00 0.00 H new ATOM 1168 N ASN A 79 113.618 7.694 21.872 1.00 0.00 N ATOM 1169 CA ASN A 79 114.466 8.210 22.983 1.00 0.00 C ATOM 1170 C ASN A 79 115.897 8.415 22.469 1.00 0.00 C ATOM 1171 O ASN A 79 116.603 9.300 22.910 1.00 0.00 O ATOM 1172 CB ASN A 79 114.475 7.199 24.132 1.00 0.00 C ATOM 1173 CG ASN A 79 115.112 5.892 23.656 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.341 5.709 22.478 1.00 0.00 O ATOM 1175 ND2 ASN A 79 115.409 4.969 24.528 1.00 0.00 N ATOM 0 H ASN A 79 113.213 6.771 22.024 1.00 0.00 H new ATOM 0 HA ASN A 79 114.065 9.158 23.341 1.00 0.00 H new ATOM 0 HB2 ASN A 79 115.032 7.600 24.979 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.458 7.016 24.477 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.833 4.094 24.220 1.00 0.00 H new ATOM 0 HD22 ASN A 79 115.217 5.122 25.518 1.00 0.00 H new ATOM 1182 N LYS A 80 116.317 7.611 21.531 1.00 0.00 N ATOM 1183 CA LYS A 80 117.687 7.765 20.967 1.00 0.00 C ATOM 1184 C LYS A 80 117.712 8.971 20.023 1.00 0.00 C ATOM 1185 O LYS A 80 118.591 9.807 20.087 1.00 0.00 O ATOM 1186 CB LYS A 80 118.065 6.497 20.200 1.00 0.00 C ATOM 1187 CG LYS A 80 119.426 6.679 19.522 1.00 0.00 C ATOM 1188 CD LYS A 80 120.506 6.891 20.583 1.00 0.00 C ATOM 1189 CE LYS A 80 121.886 6.680 19.957 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.153 7.757 18.961 1.00 0.00 N ATOM 0 H LYS A 80 115.768 6.851 21.130 1.00 0.00 H new ATOM 0 HA LYS A 80 118.403 7.923 21.773 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.100 5.647 20.882 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.304 6.274 19.452 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.663 5.803 18.919 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.395 7.533 18.845 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.432 7.897 20.996 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.360 6.196 21.410 1.00 0.00 H new ATOM 0 HE2 LYS A 80 122.653 6.689 20.731 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.932 5.704 19.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.179 7.859 18.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.708 7.509 18.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.758 8.655 19.307 1.00 0.00 H new ATOM 1204 N LEU A 81 116.755 9.052 19.138 1.00 0.00 N ATOM 1205 CA LEU A 81 116.712 10.192 18.178 1.00 0.00 C ATOM 1206 C LEU A 81 115.254 10.496 17.830 1.00 0.00 C ATOM 1207 O LEU A 81 114.525 9.636 17.373 1.00 0.00 O ATOM 1208 CB LEU A 81 117.473 9.810 16.906 1.00 0.00 C ATOM 1209 CG LEU A 81 117.828 11.069 16.111 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.812 11.927 16.917 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.475 10.662 14.785 1.00 0.00 C ATOM 0 H LEU A 81 115.999 8.375 19.039 1.00 0.00 H new ATOM 0 HA LEU A 81 117.173 11.072 18.626 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.381 9.265 17.165 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.865 9.143 16.295 1.00 0.00 H new ATOM 0 HG LEU A 81 116.923 11.645 15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 81 119.063 12.823 16.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.354 12.214 17.863 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.719 11.355 17.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.730 11.556 14.215 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.380 10.088 14.983 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.777 10.053 14.211 1.00 0.00 H new ATOM 1223 N LYS A 82 114.817 11.706 18.040 1.00 0.00 N ATOM 1224 CA LYS A 82 113.405 12.049 17.718 1.00 0.00 C ATOM 1225 C LYS A 82 113.269 12.313 16.215 1.00 0.00 C ATOM 1226 O LYS A 82 113.590 13.380 15.732 1.00 0.00 O ATOM 1227 CB LYS A 82 112.990 13.300 18.499 1.00 0.00 C ATOM 1228 CG LYS A 82 112.926 12.972 19.994 1.00 0.00 C ATOM 1229 CD LYS A 82 112.568 14.234 20.783 1.00 0.00 C ATOM 1230 CE LYS A 82 112.597 13.924 22.281 1.00 0.00 C ATOM 1231 NZ LYS A 82 111.598 12.861 22.588 1.00 0.00 N ATOM 0 H LYS A 82 115.375 12.470 18.420 1.00 0.00 H new ATOM 0 HA LYS A 82 112.759 11.217 17.998 1.00 0.00 H new ATOM 0 HB2 LYS A 82 113.704 14.105 18.323 1.00 0.00 H new ATOM 0 HB3 LYS A 82 112.019 13.653 18.152 1.00 0.00 H new ATOM 0 HG2 LYS A 82 112.183 12.195 20.174 1.00 0.00 H new ATOM 0 HG3 LYS A 82 113.885 12.580 20.332 1.00 0.00 H new ATOM 0 HD2 LYS A 82 113.273 15.032 20.552 1.00 0.00 H new ATOM 0 HD3 LYS A 82 111.579 14.589 20.493 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.594 13.597 22.576 1.00 0.00 H new ATOM 0 HE3 LYS A 82 112.374 14.824 22.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 111.394 12.860 23.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 110.721 13.045 22.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 111.981 11.935 22.311 1.00 0.00 H new ATOM 1245 N LEU A 83 112.799 11.345 15.476 1.00 0.00 N ATOM 1246 CA LEU A 83 112.636 11.529 14.005 1.00 0.00 C ATOM 1247 C LEU A 83 111.402 12.392 13.724 1.00 0.00 C ATOM 1248 O LEU A 83 110.511 12.510 14.545 1.00 0.00 O ATOM 1249 CB LEU A 83 112.464 10.168 13.332 1.00 0.00 C ATOM 1250 CG LEU A 83 113.768 9.376 13.428 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.545 7.963 12.888 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.853 10.072 12.598 1.00 0.00 C ATOM 0 H LEU A 83 112.519 10.430 15.830 1.00 0.00 H new ATOM 0 HA LEU A 83 113.523 12.023 13.608 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.656 9.615 13.810 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.185 10.301 12.287 1.00 0.00 H new ATOM 0 HG LEU A 83 114.085 9.324 14.470 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.474 7.397 12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.774 7.466 13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.228 8.017 11.846 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.782 9.507 12.667 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.537 10.124 11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.012 11.080 12.980 1.00 0.00 H new ATOM 1264 N THR A 84 111.342 12.996 12.566 1.00 0.00 N ATOM 1265 CA THR A 84 110.168 13.851 12.221 1.00 0.00 C ATOM 1266 C THR A 84 109.626 13.439 10.849 1.00 0.00 C ATOM 1267 O THR A 84 110.312 12.816 10.061 1.00 0.00 O ATOM 1268 CB THR A 84 110.603 15.319 12.171 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.501 15.509 11.087 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.297 15.694 13.481 1.00 0.00 C ATOM 0 H THR A 84 112.058 12.934 11.842 1.00 0.00 H new ATOM 0 HA THR A 84 109.392 13.725 12.976 1.00 0.00 H new ATOM 0 HB THR A 84 109.726 15.952 12.033 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.779 16.448 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.606 16.739 13.443 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.607 15.549 14.313 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.174 15.062 13.622 1.00 0.00 H new ATOM 1278 N ASN A 85 108.400 13.780 10.553 1.00 0.00 N ATOM 1279 CA ASN A 85 107.824 13.409 9.229 1.00 0.00 C ATOM 1280 C ASN A 85 107.952 11.900 9.015 1.00 0.00 C ATOM 1281 O ASN A 85 108.454 11.445 8.006 1.00 0.00 O ATOM 1282 CB ASN A 85 108.569 14.150 8.117 1.00 0.00 C ATOM 1283 CG ASN A 85 108.130 15.615 8.093 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.113 15.966 8.656 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.857 16.491 7.455 1.00 0.00 N ATOM 0 H ASN A 85 107.774 14.298 11.170 1.00 0.00 H new ATOM 0 HA ASN A 85 106.771 13.688 9.205 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.645 14.085 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.364 13.683 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.571 17.470 7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.711 16.197 6.982 1.00 0.00 H new ATOM 1292 N ILE A 86 107.513 11.121 9.965 1.00 0.00 N ATOM 1293 CA ILE A 86 107.616 9.639 9.830 1.00 0.00 C ATOM 1294 C ILE A 86 106.471 9.111 8.956 1.00 0.00 C ATOM 1295 O ILE A 86 105.316 9.432 9.168 1.00 0.00 O ATOM 1296 CB ILE A 86 107.544 9.007 11.221 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.748 9.470 12.046 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.566 7.484 11.095 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.562 9.053 13.505 1.00 0.00 C ATOM 0 H ILE A 86 107.086 11.447 10.832 1.00 0.00 H new ATOM 0 HA ILE A 86 108.563 9.380 9.357 1.00 0.00 H new ATOM 0 HB ILE A 86 106.621 9.313 11.714 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.664 9.034 11.647 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.854 10.553 11.977 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.515 7.036 12.087 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.711 7.155 10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.488 7.173 10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.420 9.384 14.090 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.655 9.510 13.901 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.478 7.968 13.565 1.00 0.00 H new ATOM 1311 N ILE A 87 106.787 8.296 7.981 1.00 0.00 N ATOM 1312 CA ILE A 87 105.730 7.731 7.087 1.00 0.00 C ATOM 1313 C ILE A 87 105.798 6.203 7.131 1.00 0.00 C ATOM 1314 O ILE A 87 106.817 5.616 6.818 1.00 0.00 O ATOM 1315 CB ILE A 87 105.976 8.200 5.649 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.940 9.733 5.584 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.902 7.622 4.727 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.603 10.248 6.125 1.00 0.00 C ATOM 0 H ILE A 87 107.738 7.996 7.765 1.00 0.00 H new ATOM 0 HA ILE A 87 104.750 8.069 7.422 1.00 0.00 H new ATOM 0 HB ILE A 87 106.957 7.852 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.762 10.149 6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.078 10.065 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.080 7.958 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.939 6.533 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.920 7.962 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.586 11.337 6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.788 9.844 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.483 9.930 7.161 1.00 0.00 H new ATOM 1330 N MET A 88 104.729 5.546 7.508 1.00 0.00 N ATOM 1331 CA MET A 88 104.757 4.049 7.563 1.00 0.00 C ATOM 1332 C MET A 88 103.663 3.473 6.655 1.00 0.00 C ATOM 1333 O MET A 88 102.495 3.478 6.994 1.00 0.00 O ATOM 1334 CB MET A 88 104.520 3.583 9.001 1.00 0.00 C ATOM 1335 CG MET A 88 105.577 4.200 9.919 1.00 0.00 C ATOM 1336 SD MET A 88 105.280 3.670 11.626 1.00 0.00 S ATOM 1337 CE MET A 88 105.873 1.969 11.450 1.00 0.00 C ATOM 0 H MET A 88 103.844 5.976 7.778 1.00 0.00 H new ATOM 0 HA MET A 88 105.731 3.699 7.221 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.523 3.875 9.329 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.567 2.495 9.054 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.574 3.894 9.600 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.541 5.287 9.853 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.149 1.577 12.429 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.084 1.351 11.020 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.744 1.953 10.794 1.00 0.00 H new ATOM 1347 N ASP A 89 104.036 2.965 5.507 1.00 0.00 N ATOM 1348 CA ASP A 89 103.025 2.372 4.579 1.00 0.00 C ATOM 1349 C ASP A 89 103.251 0.860 4.500 1.00 0.00 C ATOM 1350 O ASP A 89 104.136 0.386 3.810 1.00 0.00 O ATOM 1351 CB ASP A 89 103.190 2.988 3.188 1.00 0.00 C ATOM 1352 CG ASP A 89 102.693 4.434 3.205 1.00 0.00 C ATOM 1353 OD1 ASP A 89 102.008 4.794 4.148 1.00 0.00 O ATOM 1354 OD2 ASP A 89 103.007 5.158 2.274 1.00 0.00 O ATOM 0 H ASP A 89 104.999 2.935 5.172 1.00 0.00 H new ATOM 0 HA ASP A 89 102.019 2.575 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.237 2.956 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.630 2.409 2.454 1.00 0.00 H new ATOM 1359 N HIS A 90 102.464 0.090 5.203 1.00 0.00 N ATOM 1360 CA HIS A 90 102.636 -1.391 5.169 1.00 0.00 C ATOM 1361 C HIS A 90 102.152 -1.961 3.831 1.00 0.00 C ATOM 1362 O HIS A 90 102.713 -2.907 3.314 1.00 0.00 O ATOM 1363 CB HIS A 90 101.842 -2.020 6.312 1.00 0.00 C ATOM 1364 CG HIS A 90 102.480 -1.657 7.623 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.703 -2.179 8.021 1.00 0.00 N ATOM 1366 CD2 HIS A 90 102.078 -0.826 8.641 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.992 -1.662 9.230 1.00 0.00 C ATOM 1368 NE2 HIS A 90 103.034 -0.834 9.650 1.00 0.00 N ATOM 0 H HIS A 90 101.708 0.424 5.801 1.00 0.00 H new ATOM 0 HA HIS A 90 103.695 -1.624 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.810 -1.670 6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.814 -3.104 6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.161 -0.255 8.655 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.887 -1.889 9.790 1.00 0.00 H new ATOM 0 HE2 HIS A 90 103.008 -0.315 10.528 1.00 0.00 H new ATOM 1377 N TYR A 91 101.112 -1.408 3.269 1.00 0.00 N ATOM 1378 CA TYR A 91 100.604 -1.940 1.970 1.00 0.00 C ATOM 1379 C TYR A 91 101.701 -1.824 0.908 1.00 0.00 C ATOM 1380 O TYR A 91 101.967 -2.757 0.175 1.00 0.00 O ATOM 1381 CB TYR A 91 99.377 -1.143 1.527 1.00 0.00 C ATOM 1382 CG TYR A 91 98.946 -1.615 0.159 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.327 -2.862 0.010 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.167 -0.805 -0.961 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.929 -3.299 -1.259 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.770 -1.243 -2.231 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.152 -2.490 -2.380 1.00 0.00 C ATOM 1388 OH TYR A 91 97.761 -2.921 -3.631 1.00 0.00 O ATOM 0 H TYR A 91 100.594 -0.616 3.649 1.00 0.00 H new ATOM 0 HA TYR A 91 100.325 -2.986 2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.565 -1.274 2.243 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.610 -0.078 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 91 98.157 -3.487 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.643 0.157 -0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.450 -4.260 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.941 -0.618 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 91 97.988 -2.240 -4.298 1.00 0.00 H new ATOM 1398 N ASN A 92 102.345 -0.693 0.821 1.00 0.00 N ATOM 1399 CA ASN A 92 103.428 -0.533 -0.191 1.00 0.00 C ATOM 1400 C ASN A 92 104.753 -1.001 0.415 1.00 0.00 C ATOM 1401 O ASN A 92 105.766 -1.065 -0.253 1.00 0.00 O ATOM 1402 CB ASN A 92 103.538 0.938 -0.598 1.00 0.00 C ATOM 1403 CG ASN A 92 102.351 1.309 -1.491 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.690 0.445 -2.032 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.054 2.567 -1.672 1.00 0.00 N ATOM 0 H ASN A 92 102.169 0.125 1.404 1.00 0.00 H new ATOM 0 HA ASN A 92 103.198 -1.131 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.552 1.572 0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.474 1.111 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.267 2.825 -2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.609 3.292 -1.218 1.00 0.00 H new ATOM 1412 N ASN A 93 104.743 -1.345 1.675 1.00 0.00 N ATOM 1413 CA ASN A 93 105.989 -1.833 2.329 1.00 0.00 C ATOM 1414 C ASN A 93 107.114 -0.812 2.149 1.00 0.00 C ATOM 1415 O ASN A 93 108.222 -1.156 1.779 1.00 0.00 O ATOM 1416 CB ASN A 93 106.401 -3.168 1.702 1.00 0.00 C ATOM 1417 CG ASN A 93 105.396 -4.252 2.100 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.683 -4.109 3.074 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.305 -5.339 1.381 1.00 0.00 N ATOM 0 H ASN A 93 103.923 -1.309 2.280 1.00 0.00 H new ATOM 0 HA ASN A 93 105.804 -1.969 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.441 -3.075 0.617 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.401 -3.445 2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.637 -6.066 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.902 -5.461 0.563 1.00 0.00 H new ATOM 1426 N THR A 94 106.849 0.444 2.408 1.00 0.00 N ATOM 1427 CA THR A 94 107.916 1.481 2.255 1.00 0.00 C ATOM 1428 C THR A 94 107.935 2.377 3.497 1.00 0.00 C ATOM 1429 O THR A 94 106.902 2.758 4.015 1.00 0.00 O ATOM 1430 CB THR A 94 107.636 2.330 1.013 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.593 3.378 0.935 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.232 2.926 1.105 1.00 0.00 C ATOM 0 H THR A 94 105.943 0.796 2.718 1.00 0.00 H new ATOM 0 HA THR A 94 108.884 0.992 2.144 1.00 0.00 H new ATOM 0 HB THR A 94 107.704 1.706 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.363 4.080 1.579 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.035 3.530 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.499 2.122 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.160 3.552 1.995 1.00 0.00 H new ATOM 1440 N PHE A 95 109.105 2.707 3.985 1.00 0.00 N ATOM 1441 CA PHE A 95 109.188 3.571 5.203 1.00 0.00 C ATOM 1442 C PHE A 95 110.094 4.777 4.929 1.00 0.00 C ATOM 1443 O PHE A 95 111.134 4.657 4.310 1.00 0.00 O ATOM 1444 CB PHE A 95 109.775 2.748 6.355 1.00 0.00 C ATOM 1445 CG PHE A 95 108.842 1.606 6.684 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.852 0.447 5.899 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.972 1.706 7.775 1.00 0.00 C ATOM 1448 CE1 PHE A 95 107.988 -0.612 6.203 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.108 0.646 8.080 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.117 -0.512 7.294 1.00 0.00 C ATOM 0 H PHE A 95 110.002 2.417 3.595 1.00 0.00 H new ATOM 0 HA PHE A 95 108.192 3.927 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.756 2.362 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.917 3.380 7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.526 0.370 5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.966 2.600 8.382 1.00 0.00 H new ATOM 0 HE1 PHE A 95 107.994 -1.505 5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.435 0.722 8.921 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.451 -1.329 7.530 1.00 0.00 H new ATOM 1460 N TYR A 96 109.716 5.938 5.399 1.00 0.00 N ATOM 1461 CA TYR A 96 110.555 7.154 5.176 1.00 0.00 C ATOM 1462 C TYR A 96 110.642 7.963 6.475 1.00 0.00 C ATOM 1463 O TYR A 96 109.705 8.012 7.248 1.00 0.00 O ATOM 1464 CB TYR A 96 109.915 8.044 4.102 1.00 0.00 C ATOM 1465 CG TYR A 96 109.736 7.277 2.814 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.756 7.271 1.853 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.543 6.587 2.572 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.581 6.570 0.654 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.368 5.888 1.373 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.387 5.879 0.414 1.00 0.00 C ATOM 1471 OH TYR A 96 109.215 5.192 -0.770 1.00 0.00 O ATOM 0 H TYR A 96 108.859 6.097 5.929 1.00 0.00 H new ATOM 0 HA TYR A 96 111.548 6.838 4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.949 8.408 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.541 8.919 3.927 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.676 7.806 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.756 6.594 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.367 6.562 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.447 5.356 1.188 1.00 0.00 H new ATOM 0 HH TYR A 96 108.879 4.291 -0.580 1.00 0.00 H new ATOM 1481 N SER A 97 111.750 8.612 6.713 1.00 0.00 N ATOM 1482 CA SER A 97 111.884 9.435 7.951 1.00 0.00 C ATOM 1483 C SER A 97 112.914 10.544 7.709 1.00 0.00 C ATOM 1484 O SER A 97 113.808 10.410 6.889 1.00 0.00 O ATOM 1485 CB SER A 97 112.344 8.553 9.116 1.00 0.00 C ATOM 1486 OG SER A 97 113.476 7.798 8.717 1.00 0.00 O ATOM 0 H SER A 97 112.568 8.608 6.104 1.00 0.00 H new ATOM 0 HA SER A 97 110.919 9.876 8.199 1.00 0.00 H new ATOM 0 HB2 SER A 97 112.591 9.171 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 97 111.538 7.886 9.422 1.00 0.00 H new ATOM 0 HG SER A 97 113.772 7.234 9.462 1.00 0.00 H new ATOM 1492 N ARG A 98 112.798 11.643 8.409 1.00 0.00 N ATOM 1493 CA ARG A 98 113.771 12.762 8.211 1.00 0.00 C ATOM 1494 C ARG A 98 114.816 12.741 9.330 1.00 0.00 C ATOM 1495 O ARG A 98 114.498 12.546 10.483 1.00 0.00 O ATOM 1496 CB ARG A 98 113.028 14.104 8.232 1.00 0.00 C ATOM 1497 CG ARG A 98 112.452 14.398 6.845 1.00 0.00 C ATOM 1498 CD ARG A 98 111.548 13.243 6.406 1.00 0.00 C ATOM 1499 NE ARG A 98 112.373 12.241 5.661 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.847 11.120 5.238 1.00 0.00 C ATOM 1501 NH1 ARG A 98 110.630 10.792 5.583 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.556 10.308 4.502 1.00 0.00 N ATOM 0 H ARG A 98 112.075 11.815 9.107 1.00 0.00 H new ATOM 0 HA ARG A 98 114.267 12.638 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.227 14.075 8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.708 14.902 8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 98 111.885 15.329 6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 98 113.260 14.533 6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 98 111.082 12.777 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 98 110.742 13.614 5.773 1.00 0.00 H new ATOM 0 HE ARG A 98 113.358 12.434 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 98 110.086 11.411 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 98 110.224 9.917 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 98 113.517 10.548 4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 98 112.149 9.433 4.171 1.00 0.00 H new ATOM 1516 N LEU A 99 116.062 12.936 8.990 1.00 0.00 N ATOM 1517 CA LEU A 99 117.139 12.926 10.020 1.00 0.00 C ATOM 1518 C LEU A 99 117.319 14.338 10.586 1.00 0.00 C ATOM 1519 O LEU A 99 117.392 15.295 9.838 1.00 0.00 O ATOM 1520 CB LEU A 99 118.454 12.490 9.369 1.00 0.00 C ATOM 1521 CG LEU A 99 118.413 11.000 9.024 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.734 10.603 8.354 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.225 10.178 10.303 1.00 0.00 C ATOM 0 H LEU A 99 116.381 13.103 8.036 1.00 0.00 H new ATOM 0 HA LEU A 99 116.867 12.237 10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.630 13.074 8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.285 12.690 10.045 1.00 0.00 H new ATOM 0 HG LEU A 99 117.581 10.806 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.711 9.542 8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.870 11.186 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.561 10.798 9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 99 118.196 9.117 10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 99 119.055 10.368 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.289 10.463 10.784 1.00 0.00 H new ATOM 1535 N PRO A 100 117.425 14.479 11.886 1.00 0.00 N ATOM 1536 CA PRO A 100 117.624 15.812 12.513 1.00 0.00 C ATOM 1537 C PRO A 100 118.710 16.610 11.790 1.00 0.00 C ATOM 1538 O PRO A 100 119.564 16.052 11.134 1.00 0.00 O ATOM 1539 CB PRO A 100 118.071 15.478 13.937 1.00 0.00 C ATOM 1540 CG PRO A 100 117.487 14.136 14.231 1.00 0.00 C ATOM 1541 CD PRO A 100 117.354 13.405 12.894 1.00 0.00 C ATOM 0 HA PRO A 100 116.725 16.427 12.475 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.158 15.459 14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.715 16.225 14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.127 13.578 14.914 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.515 14.236 14.715 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.153 12.677 12.757 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.412 12.860 12.830 1.00 0.00 H new ATOM 1549 N SER A 101 118.674 17.908 11.885 1.00 0.00 N ATOM 1550 CA SER A 101 119.698 18.724 11.182 1.00 0.00 C ATOM 1551 C SER A 101 121.085 18.427 11.758 1.00 0.00 C ATOM 1552 O SER A 101 122.049 18.290 11.033 1.00 0.00 O ATOM 1553 CB SER A 101 119.380 20.209 11.363 1.00 0.00 C ATOM 1554 OG SER A 101 120.088 20.964 10.387 1.00 0.00 O ATOM 0 H SER A 101 117.983 18.437 12.417 1.00 0.00 H new ATOM 0 HA SER A 101 119.688 18.474 10.121 1.00 0.00 H new ATOM 0 HB2 SER A 101 118.308 20.378 11.263 1.00 0.00 H new ATOM 0 HB3 SER A 101 119.661 20.533 12.365 1.00 0.00 H new ATOM 0 HG SER A 101 119.885 21.916 10.499 1.00 0.00 H new ATOM 1560 N LEU A 102 121.198 18.340 13.057 1.00 0.00 N ATOM 1561 CA LEU A 102 122.530 18.077 13.681 1.00 0.00 C ATOM 1562 C LEU A 102 122.607 16.633 14.171 1.00 0.00 C ATOM 1563 O LEU A 102 121.774 16.175 14.932 1.00 0.00 O ATOM 1564 CB LEU A 102 122.720 19.031 14.860 1.00 0.00 C ATOM 1565 CG LEU A 102 124.137 18.895 15.418 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.155 19.301 14.349 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.286 19.810 16.636 1.00 0.00 C ATOM 0 H LEU A 102 120.425 18.440 13.715 1.00 0.00 H new ATOM 0 HA LEU A 102 123.315 18.237 12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.543 20.058 14.540 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.990 18.810 15.639 1.00 0.00 H new ATOM 0 HG LEU A 102 124.316 17.860 15.709 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.163 19.203 14.751 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.046 18.654 13.479 1.00 0.00 H new ATOM 0 HD13 LEU A 102 124.981 20.336 14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.295 19.718 17.039 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.107 20.843 16.339 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.563 19.521 17.399 1.00 0.00 H new ATOM 1579 N ILE A 103 123.615 15.909 13.756 1.00 0.00 N ATOM 1580 CA ILE A 103 123.767 14.490 14.201 1.00 0.00 C ATOM 1581 C ILE A 103 125.256 14.128 14.201 1.00 0.00 C ATOM 1582 O ILE A 103 125.848 13.906 13.163 1.00 0.00 O ATOM 1583 CB ILE A 103 123.024 13.559 13.239 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.520 13.842 13.303 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.276 12.101 13.635 1.00 0.00 C ATOM 1586 CD1 ILE A 103 120.794 13.025 12.235 1.00 0.00 C ATOM 0 H ILE A 103 124.344 16.242 13.124 1.00 0.00 H new ATOM 0 HA ILE A 103 123.351 14.377 15.202 1.00 0.00 H new ATOM 0 HB ILE A 103 123.386 13.733 12.226 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.135 13.590 14.291 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.334 14.905 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 103 122.746 11.441 12.949 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.345 11.891 13.588 1.00 0.00 H new ATOM 0 HG23 ILE A 103 122.917 11.933 14.650 1.00 0.00 H new ATOM 0 HD11 ILE A 103 119.725 13.230 12.285 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.170 13.298 11.249 1.00 0.00 H new ATOM 0 HD13 ILE A 103 120.968 11.963 12.408 1.00 0.00 H new ATOM 1598 N SER A 104 125.867 14.068 15.353 1.00 0.00 N ATOM 1599 CA SER A 104 127.319 13.727 15.411 1.00 0.00 C ATOM 1600 C SER A 104 127.497 12.317 15.979 1.00 0.00 C ATOM 1601 O SER A 104 128.601 11.838 16.138 1.00 0.00 O ATOM 1602 CB SER A 104 128.039 14.732 16.312 1.00 0.00 C ATOM 1603 OG SER A 104 127.525 14.632 17.633 1.00 0.00 O ATOM 0 H SER A 104 125.425 14.240 16.256 1.00 0.00 H new ATOM 0 HA SER A 104 127.740 13.766 14.406 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.111 14.536 16.311 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.900 15.744 15.931 1.00 0.00 H new ATOM 0 HG SER A 104 127.986 15.274 18.213 1.00 0.00 H new ATOM 1609 N ASP A 105 126.420 11.651 16.293 1.00 0.00 N ATOM 1610 CA ASP A 105 126.530 10.275 16.855 1.00 0.00 C ATOM 1611 C ASP A 105 126.771 9.266 15.727 1.00 0.00 C ATOM 1612 O ASP A 105 126.355 9.463 14.605 1.00 0.00 O ATOM 1613 CB ASP A 105 125.238 9.921 17.592 1.00 0.00 C ATOM 1614 CG ASP A 105 125.215 10.614 18.954 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.258 11.087 19.375 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.154 10.659 19.555 1.00 0.00 O ATOM 0 H ASP A 105 125.468 12.000 16.185 1.00 0.00 H new ATOM 0 HA ASP A 105 127.369 10.238 17.550 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.375 10.229 17.002 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.166 8.841 17.721 1.00 0.00 H new ATOM 1621 N ASN A 106 127.432 8.181 16.028 1.00 0.00 N ATOM 1622 CA ASN A 106 127.697 7.143 14.989 1.00 0.00 C ATOM 1623 C ASN A 106 126.666 6.020 15.133 1.00 0.00 C ATOM 1624 O ASN A 106 126.959 4.864 14.898 1.00 0.00 O ATOM 1625 CB ASN A 106 129.099 6.563 15.189 1.00 0.00 C ATOM 1626 CG ASN A 106 130.151 7.627 14.868 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.895 8.544 14.114 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.332 7.542 15.419 1.00 0.00 N ATOM 0 H ASN A 106 127.802 7.967 16.954 1.00 0.00 H new ATOM 0 HA ASN A 106 127.627 7.592 13.998 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.217 6.220 16.217 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.239 5.695 14.545 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.041 8.247 15.216 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.545 6.771 16.052 1.00 0.00 H new ATOM 1635 N TRP A 107 125.471 6.344 15.544 1.00 0.00 N ATOM 1636 CA TRP A 107 124.438 5.287 15.738 1.00 0.00 C ATOM 1637 C TRP A 107 124.064 4.648 14.399 1.00 0.00 C ATOM 1638 O TRP A 107 124.261 5.216 13.344 1.00 0.00 O ATOM 1639 CB TRP A 107 123.188 5.900 16.378 1.00 0.00 C ATOM 1640 CG TRP A 107 122.606 6.938 15.471 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.144 8.155 15.236 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.377 6.879 14.687 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.331 8.846 14.355 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.229 8.102 13.987 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.389 5.893 14.515 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.141 8.337 13.148 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.291 6.128 13.670 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.167 7.347 12.989 1.00 0.00 C ATOM 0 H TRP A 107 125.165 7.294 15.754 1.00 0.00 H new ATOM 0 HA TRP A 107 124.847 4.517 16.392 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.451 5.122 16.574 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.443 6.347 17.339 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.061 8.528 15.667 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.523 9.790 14.019 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.475 4.950 15.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.051 9.277 12.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.538 5.364 13.544 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.320 7.521 12.342 1.00 0.00 H new ATOM 1659 N LYS A 108 123.526 3.457 14.449 1.00 0.00 N ATOM 1660 CA LYS A 108 123.129 2.750 13.200 1.00 0.00 C ATOM 1661 C LYS A 108 121.825 1.992 13.460 1.00 0.00 C ATOM 1662 O LYS A 108 121.495 1.674 14.587 1.00 0.00 O ATOM 1663 CB LYS A 108 124.224 1.758 12.803 1.00 0.00 C ATOM 1664 CG LYS A 108 124.270 0.609 13.819 1.00 0.00 C ATOM 1665 CD LYS A 108 123.539 -0.611 13.251 1.00 0.00 C ATOM 1666 CE LYS A 108 124.475 -1.384 12.320 1.00 0.00 C ATOM 1667 NZ LYS A 108 123.815 -2.653 11.897 1.00 0.00 N ATOM 0 H LYS A 108 123.344 2.942 15.310 1.00 0.00 H new ATOM 0 HA LYS A 108 122.989 3.470 12.394 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.030 1.366 11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.190 2.262 12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 108 125.305 0.352 14.046 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.806 0.920 14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 108 123.203 -1.256 14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 108 122.649 -0.294 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.718 -0.779 11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 108 125.414 -1.602 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 124.029 -2.839 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 124.169 -3.439 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 122.786 -2.567 12.021 1.00 0.00 H new ATOM 1681 N PHE A 109 121.081 1.689 12.433 1.00 0.00 N ATOM 1682 CA PHE A 109 119.802 0.942 12.637 1.00 0.00 C ATOM 1683 C PHE A 109 119.456 0.195 11.345 1.00 0.00 C ATOM 1684 O PHE A 109 119.964 0.511 10.286 1.00 0.00 O ATOM 1685 CB PHE A 109 118.683 1.924 12.997 1.00 0.00 C ATOM 1686 CG PHE A 109 118.286 2.735 11.786 1.00 0.00 C ATOM 1687 CD1 PHE A 109 118.990 3.898 11.458 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.203 2.325 10.999 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.614 4.651 10.340 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.826 3.078 9.882 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.531 4.241 9.551 1.00 0.00 C ATOM 0 H PHE A 109 121.299 1.924 11.465 1.00 0.00 H new ATOM 0 HA PHE A 109 119.913 0.227 13.452 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.819 1.378 13.376 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.016 2.588 13.795 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.824 4.215 12.067 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.659 1.428 11.254 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.159 5.548 10.085 1.00 0.00 H new ATOM 0 HE2 PHE A 109 115.991 2.762 9.275 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.240 4.822 8.688 1.00 0.00 H new ATOM 1701 N PHE A 110 118.617 -0.807 11.410 1.00 0.00 N ATOM 1702 CA PHE A 110 118.290 -1.561 10.165 1.00 0.00 C ATOM 1703 C PHE A 110 116.884 -2.168 10.221 1.00 0.00 C ATOM 1704 O PHE A 110 116.319 -2.380 11.275 1.00 0.00 O ATOM 1705 CB PHE A 110 119.316 -2.682 9.986 1.00 0.00 C ATOM 1706 CG PHE A 110 119.502 -3.415 11.296 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.259 -2.833 12.322 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.925 -4.677 11.485 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.437 -3.511 13.534 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.105 -5.356 12.697 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.860 -4.773 13.721 1.00 0.00 C ATOM 0 H PHE A 110 118.151 -1.131 12.258 1.00 0.00 H new ATOM 0 HA PHE A 110 118.321 -0.867 9.325 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.981 -3.375 9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.267 -2.268 9.651 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.706 -1.860 12.178 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.341 -5.127 10.696 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.019 -3.061 14.324 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.661 -6.330 12.841 1.00 0.00 H new ATOM 0 HZ PHE A 110 119.998 -5.297 14.656 1.00 0.00 H new ATOM 1721 N CYS A 111 116.337 -2.470 9.069 1.00 0.00 N ATOM 1722 CA CYS A 111 114.983 -3.094 8.992 1.00 0.00 C ATOM 1723 C CYS A 111 115.108 -4.391 8.191 1.00 0.00 C ATOM 1724 O CYS A 111 116.032 -4.550 7.420 1.00 0.00 O ATOM 1725 CB CYS A 111 114.015 -2.142 8.285 1.00 0.00 C ATOM 1726 SG CYS A 111 113.719 -0.692 9.329 1.00 0.00 S ATOM 0 H CYS A 111 116.781 -2.307 8.165 1.00 0.00 H new ATOM 0 HA CYS A 111 114.601 -3.300 9.992 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.429 -1.833 7.325 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.074 -2.652 8.078 1.00 0.00 H new ATOM 1731 N VAL A 112 114.215 -5.330 8.372 1.00 0.00 N ATOM 1732 CA VAL A 112 114.346 -6.615 7.619 1.00 0.00 C ATOM 1733 C VAL A 112 113.038 -6.997 6.917 1.00 0.00 C ATOM 1734 O VAL A 112 111.958 -6.851 7.452 1.00 0.00 O ATOM 1735 CB VAL A 112 114.739 -7.728 8.589 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.561 -9.087 7.907 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.202 -7.552 8.998 1.00 0.00 C ATOM 0 H VAL A 112 113.412 -5.266 8.998 1.00 0.00 H new ATOM 0 HA VAL A 112 115.113 -6.482 6.856 1.00 0.00 H new ATOM 0 HB VAL A 112 114.104 -7.680 9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.841 -9.881 8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.519 -9.213 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.196 -9.136 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.484 -8.345 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.836 -7.601 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.330 -6.584 9.483 1.00 0.00 H new ATOM 1747 N CYS A 113 113.155 -7.534 5.727 1.00 0.00 N ATOM 1748 CA CYS A 113 111.958 -8.000 4.960 1.00 0.00 C ATOM 1749 C CYS A 113 112.148 -9.497 4.702 1.00 0.00 C ATOM 1750 O CYS A 113 113.207 -9.919 4.280 1.00 0.00 O ATOM 1751 CB CYS A 113 111.878 -7.257 3.626 1.00 0.00 C ATOM 1752 SG CYS A 113 111.544 -5.501 3.911 1.00 0.00 S ATOM 0 H CYS A 113 114.045 -7.671 5.247 1.00 0.00 H new ATOM 0 HA CYS A 113 111.040 -7.810 5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.814 -7.373 3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.092 -7.689 3.007 1.00 0.00 H new ATOM 1757 N SER A 114 111.167 -10.321 4.962 1.00 0.00 N ATOM 1758 CA SER A 114 111.383 -11.781 4.733 1.00 0.00 C ATOM 1759 C SER A 114 110.068 -12.566 4.809 1.00 0.00 C ATOM 1760 O SER A 114 109.009 -12.027 5.063 1.00 0.00 O ATOM 1761 CB SER A 114 112.327 -12.310 5.807 1.00 0.00 C ATOM 1762 OG SER A 114 111.824 -11.945 7.086 1.00 0.00 O ATOM 0 H SER A 114 110.247 -10.056 5.314 1.00 0.00 H new ATOM 0 HA SER A 114 111.804 -11.911 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.413 -13.394 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.327 -11.900 5.665 1.00 0.00 H new ATOM 0 HG SER A 114 112.425 -12.283 7.782 1.00 0.00 H new ATOM 1768 N LYS A 115 110.161 -13.852 4.597 1.00 0.00 N ATOM 1769 CA LYS A 115 108.970 -14.744 4.665 1.00 0.00 C ATOM 1770 C LYS A 115 109.466 -16.174 4.895 1.00 0.00 C ATOM 1771 O LYS A 115 110.640 -16.453 4.772 1.00 0.00 O ATOM 1772 CB LYS A 115 108.178 -14.702 3.356 1.00 0.00 C ATOM 1773 CG LYS A 115 107.450 -13.364 3.218 1.00 0.00 C ATOM 1774 CD LYS A 115 106.254 -13.534 2.272 1.00 0.00 C ATOM 1775 CE LYS A 115 106.733 -14.074 0.922 1.00 0.00 C ATOM 1776 NZ LYS A 115 105.580 -14.152 -0.020 1.00 0.00 N ATOM 0 H LYS A 115 111.034 -14.331 4.375 1.00 0.00 H new ATOM 0 HA LYS A 115 108.318 -14.413 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.851 -14.846 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.458 -15.520 3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.110 -13.019 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.130 -12.605 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.527 -14.217 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.750 -12.578 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.507 -13.425 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.179 -15.060 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 105.786 -14.849 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.727 -14.442 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.422 -13.220 -0.453 1.00 0.00 H new ATOM 1790 N ASP A 116 108.595 -17.084 5.224 1.00 0.00 N ATOM 1791 CA ASP A 116 109.046 -18.488 5.439 1.00 0.00 C ATOM 1792 C ASP A 116 109.711 -19.003 4.152 1.00 0.00 C ATOM 1793 O ASP A 116 109.383 -18.581 3.065 1.00 0.00 O ATOM 1794 CB ASP A 116 107.842 -19.365 5.784 1.00 0.00 C ATOM 1795 CG ASP A 116 106.822 -19.307 4.645 1.00 0.00 C ATOM 1796 OD1 ASP A 116 107.166 -18.800 3.591 1.00 0.00 O ATOM 1797 OD2 ASP A 116 105.711 -19.769 4.847 1.00 0.00 O ATOM 0 H ASP A 116 107.597 -16.920 5.353 1.00 0.00 H new ATOM 0 HA ASP A 116 109.761 -18.525 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 116 108.163 -20.394 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 116 107.385 -19.024 6.713 1.00 0.00 H new ATOM 1802 N ASN A 117 110.638 -19.918 4.273 1.00 0.00 N ATOM 1803 CA ASN A 117 111.318 -20.462 3.057 1.00 0.00 C ATOM 1804 C ASN A 117 111.601 -19.317 2.077 1.00 0.00 C ATOM 1805 O ASN A 117 111.167 -19.347 0.945 1.00 0.00 O ATOM 1806 CB ASN A 117 110.410 -21.492 2.383 1.00 0.00 C ATOM 1807 CG ASN A 117 111.185 -22.206 1.274 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.227 -21.745 0.852 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.717 -23.320 0.781 1.00 0.00 N ATOM 0 H ASN A 117 110.954 -20.312 5.159 1.00 0.00 H new ATOM 0 HA ASN A 117 112.256 -20.936 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.055 -22.215 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.530 -21.001 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.226 -23.804 0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.842 -23.707 1.135 1.00 0.00 H new ATOM 1816 N GLU A 118 112.346 -18.323 2.489 1.00 0.00 N ATOM 1817 CA GLU A 118 112.655 -17.185 1.571 1.00 0.00 C ATOM 1818 C GLU A 118 113.925 -16.462 2.022 1.00 0.00 C ATOM 1819 O GLU A 118 114.132 -16.222 3.194 1.00 0.00 O ATOM 1820 CB GLU A 118 111.493 -16.187 1.589 1.00 0.00 C ATOM 1821 CG GLU A 118 110.337 -16.697 0.718 1.00 0.00 C ATOM 1822 CD GLU A 118 110.830 -16.876 -0.720 1.00 0.00 C ATOM 1823 OE1 GLU A 118 111.822 -16.249 -1.064 1.00 0.00 O ATOM 1824 OE2 GLU A 118 110.220 -17.638 -1.448 1.00 0.00 O ATOM 0 H GLU A 118 112.754 -18.250 3.421 1.00 0.00 H new ATOM 0 HA GLU A 118 112.802 -17.581 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.148 -16.039 2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.832 -15.218 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 118 109.963 -17.644 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.507 -15.991 0.745 1.00 0.00 H new ATOM 1831 N LYS A 119 114.783 -16.108 1.098 1.00 0.00 N ATOM 1832 CA LYS A 119 116.040 -15.398 1.476 1.00 0.00 C ATOM 1833 C LYS A 119 115.687 -14.157 2.302 1.00 0.00 C ATOM 1834 O LYS A 119 114.715 -13.482 2.034 1.00 0.00 O ATOM 1835 CB LYS A 119 116.784 -14.966 0.205 1.00 0.00 C ATOM 1836 CG LYS A 119 117.278 -16.202 -0.554 1.00 0.00 C ATOM 1837 CD LYS A 119 118.033 -15.762 -1.812 1.00 0.00 C ATOM 1838 CE LYS A 119 118.594 -16.992 -2.531 1.00 0.00 C ATOM 1839 NZ LYS A 119 117.471 -17.873 -2.959 1.00 0.00 N ATOM 0 H LYS A 119 114.666 -16.280 0.099 1.00 0.00 H new ATOM 0 HA LYS A 119 116.675 -16.063 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.123 -14.377 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.628 -14.327 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.930 -16.797 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.434 -16.836 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.365 -15.213 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.843 -15.084 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.179 -16.684 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.267 -17.538 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 117.851 -18.700 -3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 116.940 -18.190 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 116.837 -17.344 -3.591 1.00 0.00 H new ATOM 1853 N LYS A 120 116.460 -13.860 3.316 1.00 0.00 N ATOM 1854 CA LYS A 120 116.153 -12.668 4.164 1.00 0.00 C ATOM 1855 C LYS A 120 116.838 -11.418 3.594 1.00 0.00 C ATOM 1856 O LYS A 120 117.980 -11.458 3.163 1.00 0.00 O ATOM 1857 CB LYS A 120 116.637 -12.920 5.596 1.00 0.00 C ATOM 1858 CG LYS A 120 118.164 -13.043 5.617 1.00 0.00 C ATOM 1859 CD LYS A 120 118.636 -13.301 7.051 1.00 0.00 C ATOM 1860 CE LYS A 120 118.480 -14.787 7.386 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.141 -15.076 8.691 1.00 0.00 N ATOM 0 H LYS A 120 117.287 -14.389 3.593 1.00 0.00 H new ATOM 0 HA LYS A 120 115.075 -12.504 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.320 -12.103 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.185 -13.832 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.483 -13.857 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.618 -12.130 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.678 -13.001 7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 120 118.056 -12.698 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.423 -15.050 7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.924 -15.396 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.035 -16.085 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.152 -14.840 8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.698 -14.505 9.439 1.00 0.00 H new ATOM 1875 N LEU A 121 116.144 -10.309 3.596 1.00 0.00 N ATOM 1876 CA LEU A 121 116.739 -9.045 3.067 1.00 0.00 C ATOM 1877 C LEU A 121 116.965 -8.073 4.230 1.00 0.00 C ATOM 1878 O LEU A 121 116.045 -7.739 4.953 1.00 0.00 O ATOM 1879 CB LEU A 121 115.776 -8.413 2.058 1.00 0.00 C ATOM 1880 CG LEU A 121 115.406 -9.441 0.985 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.393 -8.825 0.015 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.662 -9.851 0.213 1.00 0.00 C ATOM 0 H LEU A 121 115.188 -10.224 3.942 1.00 0.00 H new ATOM 0 HA LEU A 121 117.688 -9.262 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.877 -8.065 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.239 -7.541 1.596 1.00 0.00 H new ATOM 0 HG LEU A 121 114.969 -10.319 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.129 -9.557 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.497 -8.533 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.831 -7.947 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.397 -10.583 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.100 -8.973 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.385 -10.290 0.901 1.00 0.00 H new ATOM 1894 N VAL A 122 118.175 -7.617 4.429 1.00 0.00 N ATOM 1895 CA VAL A 122 118.440 -6.675 5.562 1.00 0.00 C ATOM 1896 C VAL A 122 118.713 -5.261 5.036 1.00 0.00 C ATOM 1897 O VAL A 122 119.528 -5.053 4.163 1.00 0.00 O ATOM 1898 CB VAL A 122 119.663 -7.159 6.350 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.148 -6.044 7.282 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.286 -8.389 7.184 1.00 0.00 C ATOM 0 H VAL A 122 118.988 -7.853 3.860 1.00 0.00 H new ATOM 0 HA VAL A 122 117.561 -6.650 6.207 1.00 0.00 H new ATOM 0 HB VAL A 122 120.458 -7.423 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 122 121.017 -6.390 7.841 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.421 -5.169 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.351 -5.779 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.157 -8.731 7.743 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.489 -8.127 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.944 -9.185 6.523 1.00 0.00 H new ATOM 1910 N PHE A 123 118.043 -4.288 5.593 1.00 0.00 N ATOM 1911 CA PHE A 123 118.257 -2.871 5.171 1.00 0.00 C ATOM 1912 C PHE A 123 118.990 -2.150 6.308 1.00 0.00 C ATOM 1913 O PHE A 123 118.497 -2.090 7.411 1.00 0.00 O ATOM 1914 CB PHE A 123 116.892 -2.219 4.923 1.00 0.00 C ATOM 1915 CG PHE A 123 117.048 -0.724 4.786 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.697 -0.188 3.669 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.531 0.126 5.771 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.833 1.199 3.538 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.666 1.513 5.641 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.318 2.050 4.524 1.00 0.00 C ATOM 0 H PHE A 123 117.349 -4.415 6.330 1.00 0.00 H new ATOM 0 HA PHE A 123 118.846 -2.815 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.443 -2.630 4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.216 -2.448 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.093 -0.844 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.028 -0.289 6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.335 1.613 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.268 2.168 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.424 3.120 4.423 1.00 0.00 H new ATOM 1930 N THR A 124 120.168 -1.623 6.067 1.00 0.00 N ATOM 1931 CA THR A 124 120.900 -0.944 7.181 1.00 0.00 C ATOM 1932 C THR A 124 121.544 0.370 6.726 1.00 0.00 C ATOM 1933 O THR A 124 122.070 0.489 5.631 1.00 0.00 O ATOM 1934 CB THR A 124 121.983 -1.885 7.709 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.416 -1.434 8.983 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.168 -1.902 6.740 1.00 0.00 C ATOM 0 H THR A 124 120.645 -1.633 5.166 1.00 0.00 H new ATOM 0 HA THR A 124 120.181 -0.706 7.964 1.00 0.00 H new ATOM 0 HB THR A 124 121.578 -2.893 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.109 -2.036 9.325 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.938 -2.574 7.119 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.833 -2.249 5.762 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.577 -0.896 6.648 1.00 0.00 H new ATOM 1944 N VAL A 125 121.543 1.347 7.598 1.00 0.00 N ATOM 1945 CA VAL A 125 122.183 2.658 7.286 1.00 0.00 C ATOM 1946 C VAL A 125 122.976 3.109 8.518 1.00 0.00 C ATOM 1947 O VAL A 125 122.731 2.645 9.623 1.00 0.00 O ATOM 1948 CB VAL A 125 121.108 3.695 6.946 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.094 3.083 5.979 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.389 4.132 8.224 1.00 0.00 C ATOM 0 H VAL A 125 121.120 1.289 8.524 1.00 0.00 H new ATOM 0 HA VAL A 125 122.848 2.558 6.428 1.00 0.00 H new ATOM 0 HB VAL A 125 121.580 4.561 6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.330 3.822 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.602 2.775 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.626 2.215 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.625 4.870 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.920 3.266 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.109 4.572 8.914 1.00 0.00 H new ATOM 1960 N GLU A 126 123.925 3.993 8.353 1.00 0.00 N ATOM 1961 CA GLU A 126 124.725 4.447 9.531 1.00 0.00 C ATOM 1962 C GLU A 126 124.744 5.977 9.600 1.00 0.00 C ATOM 1963 O GLU A 126 124.714 6.659 8.595 1.00 0.00 O ATOM 1964 CB GLU A 126 126.162 3.934 9.390 1.00 0.00 C ATOM 1965 CG GLU A 126 126.171 2.407 9.468 1.00 0.00 C ATOM 1966 CD GLU A 126 125.817 1.823 8.099 1.00 0.00 C ATOM 1967 OE1 GLU A 126 125.492 2.596 7.213 1.00 0.00 O ATOM 1968 OE2 GLU A 126 125.881 0.613 7.959 1.00 0.00 O ATOM 0 H GLU A 126 124.180 4.418 7.461 1.00 0.00 H new ATOM 0 HA GLU A 126 124.273 4.054 10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.585 4.262 8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.787 4.352 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.153 2.054 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 126 125.455 2.066 10.216 1.00 0.00 H new ATOM 1975 N ALA A 127 124.798 6.519 10.788 1.00 0.00 N ATOM 1976 CA ALA A 127 124.825 8.003 10.934 1.00 0.00 C ATOM 1977 C ALA A 127 125.559 8.371 12.226 1.00 0.00 C ATOM 1978 O ALA A 127 126.322 9.323 12.200 1.00 0.00 O ATOM 1979 CB ALA A 127 123.394 8.541 10.990 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.345 7.695 13.220 1.00 0.00 O ATOM 0 H ALA A 127 124.825 5.997 11.664 1.00 0.00 H new ATOM 0 HA ALA A 127 125.342 8.442 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.417 9.626 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.870 8.278 10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.874 8.104 11.842 1.00 0.00 H new TER 1986 ALA A 127