USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 57 GLN : amide:sc= -0.216 K(o=-0.15,f=-2.9!) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.0647 K(o=-0.15,f=-3.1) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.97 K(o=2.7,f=-1.1) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.687 K(o=2.7,f=-0.017!) USER MOD Single : A 17 HIS : no HD1:sc= -1.25 X(o=-1.3,f=-0.86) USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.867) USER MOD Single : A 25 GLN : amide:sc= 1.18 K(o=1.2,f=-0.58) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00278 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= -0.0586 X(o=-0.059,f=-0.51) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.18 USER MOD Single : A 41 SER OG : rot -112:sc= 0.472 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -163:sc= -0.0133 (180deg=-0.122) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -65:sc= -0.577 USER MOD Single : A 51 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.26) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 55 MET CE :methyl 172:sc= 0 (180deg=-0.108) USER MOD Single : A 65 GLN : amide:sc= -0.0256 K(o=-0.026,f=-0.76) USER MOD Single : A 68 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.5!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 75 GLN : amide:sc= -0.278 K(o=-0.28,f=-0.82) USER MOD Single : A 78 MET CE :methyl -139:sc= -1.28 (180deg=-3!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.98) USER MOD Single : A 90 GLN : amide:sc= 0.145 K(o=0.14,f=-3.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.084 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 7.867 13.152 1.148 1.00 10.00 N ATOM 14 CA HIS A 17 6.809 12.148 1.197 1.00 10.00 C ATOM 15 C HIS A 17 5.457 12.770 0.878 1.00 10.00 C ATOM 16 O HIS A 17 5.112 13.833 1.401 1.00 10.00 O ATOM 17 CB HIS A 17 6.759 11.479 2.574 1.00 10.00 C ATOM 18 CG HIS A 17 7.855 10.480 2.804 1.00 10.00 C ATOM 19 ND1 HIS A 17 8.965 10.792 3.554 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.960 9.200 2.370 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.716 9.702 3.557 1.00 10.00 C ATOM 22 NE2 HIS A 17 9.148 8.717 2.854 1.00 10.00 N ATOM 0 HA HIS A 17 7.034 11.391 0.445 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.815 12.249 3.344 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.796 10.981 2.691 1.00 10.00 H new ATOM 0 HD2 HIS A 17 7.246 8.665 1.761 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.667 9.619 4.063 1.00 10.00 H new ATOM 0 HE2 HIS A 17 9.527 7.782 2.706 1.00 10.00 H new ATOM 30 N ILE A 18 4.697 12.106 0.023 1.00 10.00 N ATOM 31 CA ILE A 18 3.382 12.584 -0.373 1.00 10.00 C ATOM 32 C ILE A 18 2.300 11.822 0.397 1.00 10.00 C ATOM 33 O ILE A 18 2.435 10.624 0.654 1.00 10.00 O ATOM 34 CB ILE A 18 3.174 12.444 -1.903 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.882 13.133 -2.345 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.167 10.981 -2.329 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.709 13.169 -3.847 1.00 10.00 C ATOM 0 H ILE A 18 4.971 11.226 -0.414 1.00 10.00 H new ATOM 0 HA ILE A 18 3.309 13.644 -0.128 1.00 10.00 H new ATOM 0 HB ILE A 18 4.013 12.936 -2.394 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.032 12.616 -1.900 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.872 14.153 -1.960 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.019 10.917 -3.407 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.119 10.521 -2.065 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.358 10.458 -1.820 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.773 13.671 -4.094 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.541 13.711 -4.296 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.688 12.151 -4.235 1.00 10.00 H new ATOM 49 N ASN A 19 1.250 12.526 0.794 1.00 10.00 N ATOM 50 CA ASN A 19 0.164 11.913 1.551 1.00 10.00 C ATOM 51 C ASN A 19 -1.012 11.570 0.651 1.00 10.00 C ATOM 52 O ASN A 19 -1.762 12.452 0.220 1.00 10.00 O ATOM 53 CB ASN A 19 -0.291 12.843 2.680 1.00 10.00 C ATOM 54 CG ASN A 19 0.808 13.104 3.690 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.947 12.382 4.673 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.602 14.135 3.448 1.00 10.00 N ATOM 0 H ASN A 19 1.125 13.521 0.606 1.00 10.00 H new ATOM 0 HA ASN A 19 0.541 10.986 1.983 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.623 13.790 2.255 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.150 12.402 3.187 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.363 14.354 4.090 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.452 14.710 2.619 1.00 10.00 H new ATOM 63 N LEU A 20 -1.164 10.288 0.367 1.00 10.00 N ATOM 64 CA LEU A 20 -2.250 9.808 -0.473 1.00 10.00 C ATOM 65 C LEU A 20 -3.296 9.110 0.385 1.00 10.00 C ATOM 66 O LEU A 20 -2.969 8.234 1.182 1.00 10.00 O ATOM 67 CB LEU A 20 -1.714 8.847 -1.538 1.00 10.00 C ATOM 68 CG LEU A 20 -0.584 9.409 -2.405 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.004 8.323 -3.298 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.085 10.577 -3.243 1.00 10.00 C ATOM 0 H LEU A 20 -0.543 9.554 0.709 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.711 10.659 -0.975 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.358 7.943 -1.044 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -2.538 8.552 -2.188 1.00 10.00 H new ATOM 0 HG LEU A 20 0.206 9.771 -1.747 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.798 8.742 -3.906 1.00 10.00 H new ATOM 0 HD12 LEU A 20 0.393 7.517 -2.680 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -0.786 7.931 -3.948 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.269 10.964 -3.853 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -1.894 10.239 -3.891 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.452 11.365 -2.586 1.00 10.00 H new ATOM 82 N LYS A 21 -4.551 9.502 0.235 1.00 10.00 N ATOM 83 CA LYS A 21 -5.626 8.909 1.018 1.00 10.00 C ATOM 84 C LYS A 21 -6.384 7.863 0.209 1.00 10.00 C ATOM 85 O LYS A 21 -6.985 8.169 -0.818 1.00 10.00 O ATOM 86 CB LYS A 21 -6.592 9.992 1.506 1.00 10.00 C ATOM 87 CG LYS A 21 -5.917 11.091 2.308 1.00 10.00 C ATOM 88 CD LYS A 21 -6.893 12.202 2.664 1.00 10.00 C ATOM 89 CE LYS A 21 -6.193 13.354 3.368 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.114 14.489 3.645 1.00 10.00 N ATOM 0 H LYS A 21 -4.851 10.225 -0.419 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.177 8.416 1.881 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.092 10.436 0.645 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.365 9.528 2.119 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -5.495 10.670 3.221 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.087 11.504 1.734 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.376 12.568 1.758 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -7.679 11.805 3.306 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -5.766 12.998 4.306 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -5.364 13.703 2.752 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -6.585 15.384 3.602 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -7.874 14.501 2.935 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -7.528 14.377 4.593 1.00 10.00 H new ATOM 104 N VAL A 22 -6.333 6.628 0.668 1.00 10.00 N ATOM 105 CA VAL A 22 -7.025 5.534 0.009 1.00 10.00 C ATOM 106 C VAL A 22 -8.421 5.386 0.606 1.00 10.00 C ATOM 107 O VAL A 22 -8.590 5.472 1.827 1.00 10.00 O ATOM 108 CB VAL A 22 -6.251 4.205 0.161 1.00 10.00 C ATOM 109 CG1 VAL A 22 -6.879 3.107 -0.684 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.788 4.396 -0.213 1.00 10.00 C ATOM 0 H VAL A 22 -5.815 6.354 1.503 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.095 5.764 -1.054 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.306 3.899 1.206 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -6.314 2.183 -0.558 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -7.910 2.948 -0.367 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -6.863 3.402 -1.733 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.257 3.451 -0.100 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.718 4.731 -1.248 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.340 5.144 0.441 1.00 10.00 H new ATOM 120 N ALA A 23 -9.416 5.199 -0.248 1.00 10.00 N ATOM 121 CA ALA A 23 -10.786 5.052 0.213 1.00 10.00 C ATOM 122 C ALA A 23 -11.505 3.945 -0.545 1.00 10.00 C ATOM 123 O ALA A 23 -11.600 3.980 -1.773 1.00 10.00 O ATOM 124 CB ALA A 23 -11.535 6.369 0.067 1.00 10.00 C ATOM 0 H ALA A 23 -9.300 5.146 -1.260 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.761 4.775 1.267 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.560 6.245 0.416 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.040 7.137 0.661 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.542 6.669 -0.981 1.00 10.00 H new ATOM 130 N GLY A 24 -11.995 2.961 0.190 1.00 10.00 N ATOM 131 CA GLY A 24 -12.711 1.864 -0.420 1.00 10.00 C ATOM 132 C GLY A 24 -14.180 2.182 -0.605 1.00 10.00 C ATOM 133 O GLY A 24 -14.539 3.306 -0.958 1.00 10.00 O ATOM 0 H GLY A 24 -11.909 2.903 1.205 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.265 1.633 -1.387 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.608 0.973 0.200 1.00 10.00 H new ATOM 137 N GLN A 25 -15.035 1.205 -0.340 1.00 10.00 N ATOM 138 CA GLN A 25 -16.474 1.388 -0.493 1.00 10.00 C ATOM 139 C GLN A 25 -17.176 1.352 0.862 1.00 10.00 C ATOM 140 O GLN A 25 -18.406 1.329 0.936 1.00 10.00 O ATOM 141 CB GLN A 25 -17.049 0.302 -1.411 1.00 10.00 C ATOM 142 CG GLN A 25 -16.343 0.209 -2.757 1.00 10.00 C ATOM 143 CD GLN A 25 -16.612 1.409 -3.642 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.719 1.945 -3.661 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.596 1.851 -4.365 1.00 10.00 N ATOM 0 H GLN A 25 -14.759 0.277 -0.018 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.647 2.366 -0.943 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.982 -0.662 -0.907 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -18.108 0.501 -1.578 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -15.269 0.116 -2.594 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.667 -0.696 -3.271 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.694 1.377 -4.320 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.715 2.666 -4.967 1.00 10.00 H new ATOM 154 N ASP A 26 -16.393 1.363 1.934 1.00 10.00 N ATOM 155 CA ASP A 26 -16.948 1.312 3.283 1.00 10.00 C ATOM 156 C ASP A 26 -16.822 2.663 3.981 1.00 10.00 C ATOM 157 O ASP A 26 -17.826 3.300 4.308 1.00 10.00 O ATOM 158 CB ASP A 26 -16.267 0.214 4.117 1.00 10.00 C ATOM 159 CG ASP A 26 -14.794 0.039 3.792 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.028 1.019 3.907 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.393 -1.083 3.415 1.00 10.00 O ATOM 0 H ASP A 26 -15.375 1.407 1.897 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.007 1.071 3.195 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.372 0.453 5.175 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.783 -0.731 3.951 1.00 10.00 H new ATOM 166 N GLY A 27 -15.594 3.101 4.202 1.00 10.00 N ATOM 167 CA GLY A 27 -15.364 4.370 4.859 1.00 10.00 C ATOM 168 C GLY A 27 -14.036 4.410 5.588 1.00 10.00 C ATOM 169 O GLY A 27 -13.626 5.460 6.080 1.00 10.00 O ATOM 0 H GLY A 27 -14.747 2.598 3.937 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.394 5.170 4.119 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.170 4.561 5.567 1.00 10.00 H new ATOM 173 N SER A 28 -13.366 3.267 5.666 1.00 10.00 N ATOM 174 CA SER A 28 -12.074 3.187 6.338 1.00 10.00 C ATOM 175 C SER A 28 -10.993 3.856 5.491 1.00 10.00 C ATOM 176 O SER A 28 -10.475 3.260 4.544 1.00 10.00 O ATOM 177 CB SER A 28 -11.718 1.724 6.596 1.00 10.00 C ATOM 178 OG SER A 28 -12.878 0.970 6.915 1.00 10.00 O ATOM 0 H SER A 28 -13.694 2.385 5.274 1.00 10.00 H new ATOM 0 HA SER A 28 -12.136 3.711 7.292 1.00 10.00 H new ATOM 0 HB2 SER A 28 -11.236 1.302 5.714 1.00 10.00 H new ATOM 0 HB3 SER A 28 -11.000 1.659 7.414 1.00 10.00 H new ATOM 0 HG SER A 28 -12.627 0.036 7.075 1.00 10.00 H new ATOM 184 N VAL A 29 -10.671 5.098 5.825 1.00 10.00 N ATOM 185 CA VAL A 29 -9.666 5.852 5.091 1.00 10.00 C ATOM 186 C VAL A 29 -8.254 5.454 5.520 1.00 10.00 C ATOM 187 O VAL A 29 -7.954 5.341 6.714 1.00 10.00 O ATOM 188 CB VAL A 29 -9.869 7.379 5.267 1.00 10.00 C ATOM 189 CG1 VAL A 29 -9.737 7.787 6.730 1.00 10.00 C ATOM 190 CG2 VAL A 29 -8.893 8.165 4.398 1.00 10.00 C ATOM 0 H VAL A 29 -11.093 5.606 6.602 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.786 5.610 4.035 1.00 10.00 H new ATOM 0 HB VAL A 29 -10.881 7.617 4.941 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -9.884 8.863 6.822 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.489 7.266 7.322 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -8.743 7.524 7.093 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.057 9.233 4.541 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -7.871 7.914 4.681 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -9.052 7.910 3.350 1.00 10.00 H new ATOM 200 N VAL A 30 -7.397 5.202 4.541 1.00 10.00 N ATOM 201 CA VAL A 30 -6.021 4.826 4.811 1.00 10.00 C ATOM 202 C VAL A 30 -5.066 5.831 4.182 1.00 10.00 C ATOM 203 O VAL A 30 -5.106 6.069 2.979 1.00 10.00 O ATOM 204 CB VAL A 30 -5.700 3.405 4.294 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.239 3.054 4.536 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.606 2.378 4.955 1.00 10.00 C ATOM 0 H VAL A 30 -7.634 5.252 3.550 1.00 10.00 H new ATOM 0 HA VAL A 30 -5.890 4.826 5.893 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.881 3.390 3.219 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.040 2.049 4.163 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.602 3.768 4.014 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.028 3.093 5.605 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.365 1.384 4.578 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.457 2.403 6.035 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.646 2.610 4.727 1.00 10.00 H new ATOM 216 N GLN A 31 -4.224 6.429 5.005 1.00 10.00 N ATOM 217 CA GLN A 31 -3.266 7.413 4.543 1.00 10.00 C ATOM 218 C GLN A 31 -1.943 6.739 4.204 1.00 10.00 C ATOM 219 O GLN A 31 -1.284 6.165 5.074 1.00 10.00 O ATOM 220 CB GLN A 31 -3.062 8.487 5.611 1.00 10.00 C ATOM 221 CG GLN A 31 -2.241 9.679 5.144 1.00 10.00 C ATOM 222 CD GLN A 31 -2.314 10.837 6.117 1.00 10.00 C ATOM 223 OE1 GLN A 31 -3.314 11.018 6.808 1.00 10.00 O ATOM 224 NE2 GLN A 31 -1.259 11.629 6.181 1.00 10.00 N ATOM 0 H GLN A 31 -4.186 6.246 6.008 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.653 7.888 3.641 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -4.037 8.840 5.947 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.571 8.037 6.474 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.201 9.376 5.019 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.598 10.004 4.167 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.447 11.446 5.591 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -1.256 12.424 6.820 1.00 10.00 H new ATOM 233 N PHE A 32 -1.571 6.797 2.939 1.00 10.00 N ATOM 234 CA PHE A 32 -0.333 6.200 2.475 1.00 10.00 C ATOM 235 C PHE A 32 0.782 7.236 2.429 1.00 10.00 C ATOM 236 O PHE A 32 0.657 8.280 1.783 1.00 10.00 O ATOM 237 CB PHE A 32 -0.518 5.578 1.092 1.00 10.00 C ATOM 238 CG PHE A 32 -0.642 4.082 1.117 1.00 10.00 C ATOM 239 CD1 PHE A 32 -1.848 3.482 1.432 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.446 3.277 0.821 1.00 10.00 C ATOM 241 CE1 PHE A 32 -1.968 2.106 1.452 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.332 1.903 0.840 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.876 1.315 1.155 1.00 10.00 C ATOM 0 H PHE A 32 -2.115 7.256 2.208 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.056 5.416 3.180 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.410 6.000 0.629 1.00 10.00 H new ATOM 0 HB3 PHE A 32 0.328 5.854 0.463 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.705 4.096 1.665 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.394 3.731 0.573 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.915 1.649 1.700 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.188 1.287 0.608 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.967 0.239 1.169 1.00 10.00 H new ATOM 253 N LYS A 33 1.857 6.943 3.139 1.00 10.00 N ATOM 254 CA LYS A 33 3.021 7.811 3.182 1.00 10.00 C ATOM 255 C LYS A 33 4.101 7.218 2.290 1.00 10.00 C ATOM 256 O LYS A 33 4.792 6.272 2.674 1.00 10.00 O ATOM 257 CB LYS A 33 3.528 7.962 4.621 1.00 10.00 C ATOM 258 CG LYS A 33 4.814 8.765 4.748 1.00 10.00 C ATOM 259 CD LYS A 33 5.300 8.816 6.187 1.00 10.00 C ATOM 260 CE LYS A 33 6.689 9.424 6.284 1.00 10.00 C ATOM 261 NZ LYS A 33 7.131 9.567 7.694 1.00 10.00 N ATOM 0 H LYS A 33 1.948 6.097 3.702 1.00 10.00 H new ATOM 0 HA LYS A 33 2.753 8.804 2.822 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.753 8.441 5.219 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.689 6.970 5.044 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.585 8.321 4.118 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.649 9.779 4.383 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.603 9.401 6.787 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.312 7.809 6.604 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.398 8.798 5.742 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.693 10.401 5.801 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.083 9.985 7.719 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.468 10.185 8.205 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.152 8.631 8.148 1.00 10.00 H new ATOM 275 N ILE A 34 4.204 7.742 1.079 1.00 10.00 N ATOM 276 CA ILE A 34 5.179 7.255 0.116 1.00 10.00 C ATOM 277 C ILE A 34 5.822 8.438 -0.611 1.00 10.00 C ATOM 278 O ILE A 34 5.259 9.532 -0.632 1.00 10.00 O ATOM 279 CB ILE A 34 4.518 6.273 -0.907 1.00 10.00 C ATOM 280 CG1 ILE A 34 4.334 6.922 -2.284 1.00 10.00 C ATOM 281 CG2 ILE A 34 3.170 5.764 -0.393 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.667 6.016 -3.296 1.00 10.00 C ATOM 0 H ILE A 34 3.622 8.507 0.739 1.00 10.00 H new ATOM 0 HA ILE A 34 5.951 6.703 0.652 1.00 10.00 H new ATOM 0 HB ILE A 34 5.198 5.428 -1.015 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.739 7.829 -2.173 1.00 10.00 H new ATOM 0 HG13 ILE A 34 5.309 7.225 -2.667 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.735 5.084 -1.125 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.316 5.237 0.550 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.498 6.608 -0.237 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.570 6.541 -4.246 1.00 10.00 H new ATOM 0 HD12 ILE A 34 4.272 5.120 -3.437 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.678 5.733 -2.935 1.00 10.00 H new ATOM 294 N LYS A 35 7.009 8.240 -1.165 1.00 10.00 N ATOM 295 CA LYS A 35 7.683 9.303 -1.897 1.00 10.00 C ATOM 296 C LYS A 35 7.099 9.423 -3.301 1.00 10.00 C ATOM 297 O LYS A 35 6.460 8.500 -3.795 1.00 10.00 O ATOM 298 CB LYS A 35 9.189 9.047 -1.961 1.00 10.00 C ATOM 299 CG LYS A 35 9.911 9.383 -0.668 1.00 10.00 C ATOM 300 CD LYS A 35 11.265 8.701 -0.590 1.00 10.00 C ATOM 301 CE LYS A 35 12.002 9.069 0.689 1.00 10.00 C ATOM 302 NZ LYS A 35 12.713 7.902 1.283 1.00 10.00 N ATOM 0 H LYS A 35 7.523 7.360 -1.123 1.00 10.00 H new ATOM 0 HA LYS A 35 7.523 10.243 -1.369 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.362 7.999 -2.204 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.617 9.637 -2.772 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.042 10.463 -0.594 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.300 9.077 0.181 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.132 7.620 -0.636 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.867 8.986 -1.453 1.00 10.00 H new ATOM 0 HE2 LYS A 35 12.720 9.861 0.478 1.00 10.00 H new ATOM 0 HE3 LYS A 35 11.292 9.468 1.414 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 13.201 8.199 2.152 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 12.026 7.155 1.509 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 13.409 7.537 0.602 1.00 10.00 H new ATOM 316 N ARG A 36 7.331 10.553 -3.953 1.00 10.00 N ATOM 317 CA ARG A 36 6.791 10.781 -5.291 1.00 10.00 C ATOM 318 C ARG A 36 7.489 9.913 -6.341 1.00 10.00 C ATOM 319 O ARG A 36 6.984 9.753 -7.455 1.00 10.00 O ATOM 320 CB ARG A 36 6.883 12.264 -5.664 1.00 10.00 C ATOM 321 CG ARG A 36 5.971 13.152 -4.830 1.00 10.00 C ATOM 322 CD ARG A 36 6.114 14.625 -5.197 1.00 10.00 C ATOM 323 NE ARG A 36 5.448 14.954 -6.461 1.00 10.00 N ATOM 324 CZ ARG A 36 4.344 15.705 -6.558 1.00 10.00 C ATOM 325 NH1 ARG A 36 3.774 16.217 -5.473 1.00 10.00 N ATOM 326 NH2 ARG A 36 3.807 15.945 -7.745 1.00 10.00 N ATOM 0 H ARG A 36 7.886 11.324 -3.582 1.00 10.00 H new ATOM 0 HA ARG A 36 5.741 10.491 -5.275 1.00 10.00 H new ATOM 0 HB2 ARG A 36 7.913 12.599 -5.544 1.00 10.00 H new ATOM 0 HB3 ARG A 36 6.630 12.383 -6.718 1.00 10.00 H new ATOM 0 HG2 ARG A 36 4.936 12.842 -4.972 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.202 13.018 -3.773 1.00 10.00 H new ATOM 0 HD2 ARG A 36 5.695 15.238 -4.399 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.172 14.877 -5.271 1.00 10.00 H new ATOM 0 HE ARG A 36 5.852 14.587 -7.323 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.177 16.040 -4.553 1.00 10.00 H new ATOM 0 HH12 ARG A 36 2.933 16.788 -5.560 1.00 10.00 H new ATOM 0 HH21 ARG A 36 4.235 15.557 -8.586 1.00 10.00 H new ATOM 0 HH22 ARG A 36 2.966 16.517 -7.818 1.00 10.00 H new ATOM 340 N HIS A 37 8.638 9.346 -5.982 1.00 10.00 N ATOM 341 CA HIS A 37 9.382 8.480 -6.893 1.00 10.00 C ATOM 342 C HIS A 37 9.085 7.011 -6.590 1.00 10.00 C ATOM 343 O HIS A 37 9.540 6.112 -7.298 1.00 10.00 O ATOM 344 CB HIS A 37 10.896 8.755 -6.794 1.00 10.00 C ATOM 345 CG HIS A 37 11.583 8.096 -5.625 1.00 10.00 C ATOM 346 ND1 HIS A 37 12.210 6.875 -5.752 1.00 10.00 N ATOM 347 CD2 HIS A 37 11.718 8.527 -4.347 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.702 6.592 -4.558 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.426 7.559 -3.678 1.00 10.00 N ATOM 0 H HIS A 37 9.074 9.470 -5.068 1.00 10.00 H new ATOM 0 HA HIS A 37 9.062 8.698 -7.912 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.373 8.419 -7.715 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.052 9.832 -6.729 1.00 10.00 H new ATOM 0 HD1 HIS A 37 12.280 6.306 -6.595 1.00 10.00 H new ATOM 0 HD2 HIS A 37 11.342 9.452 -3.935 1.00 10.00 H new ATOM 0 HE1 HIS A 37 13.256 5.695 -4.324 1.00 10.00 H new ATOM 357 N THR A 38 8.316 6.781 -5.535 1.00 10.00 N ATOM 358 CA THR A 38 7.963 5.436 -5.117 1.00 10.00 C ATOM 359 C THR A 38 6.805 4.881 -5.953 1.00 10.00 C ATOM 360 O THR A 38 5.736 5.490 -6.032 1.00 10.00 O ATOM 361 CB THR A 38 7.593 5.428 -3.623 1.00 10.00 C ATOM 362 OG1 THR A 38 8.658 6.019 -2.866 1.00 10.00 O ATOM 363 CG2 THR A 38 7.334 4.020 -3.125 1.00 10.00 C ATOM 0 H THR A 38 7.923 7.518 -4.950 1.00 10.00 H new ATOM 0 HA THR A 38 8.829 4.793 -5.275 1.00 10.00 H new ATOM 0 HB THR A 38 6.677 6.005 -3.494 1.00 10.00 H new ATOM 0 HG1 THR A 38 8.587 5.741 -1.929 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.075 4.050 -2.067 1.00 10.00 H new ATOM 0 HG22 THR A 38 6.510 3.581 -3.687 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.230 3.415 -3.262 1.00 10.00 H new ATOM 371 N PRO A 39 7.022 3.725 -6.607 1.00 10.00 N ATOM 372 CA PRO A 39 6.006 3.074 -7.446 1.00 10.00 C ATOM 373 C PRO A 39 4.705 2.796 -6.698 1.00 10.00 C ATOM 374 O PRO A 39 4.710 2.355 -5.545 1.00 10.00 O ATOM 375 CB PRO A 39 6.674 1.758 -7.861 1.00 10.00 C ATOM 376 CG PRO A 39 8.133 2.015 -7.743 1.00 10.00 C ATOM 377 CD PRO A 39 8.288 2.972 -6.598 1.00 10.00 C ATOM 0 HA PRO A 39 5.715 3.708 -8.284 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.364 0.937 -7.215 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.403 1.482 -8.880 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.679 1.090 -7.556 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.531 2.440 -8.664 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.437 2.448 -5.654 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.147 3.629 -6.737 1.00 10.00 H new ATOM 385 N LEU A 40 3.589 3.040 -7.376 1.00 10.00 N ATOM 386 CA LEU A 40 2.268 2.824 -6.794 1.00 10.00 C ATOM 387 C LEU A 40 1.932 1.338 -6.732 1.00 10.00 C ATOM 388 O LEU A 40 0.923 0.941 -6.150 1.00 10.00 O ATOM 389 CB LEU A 40 1.204 3.560 -7.608 1.00 10.00 C ATOM 390 CG LEU A 40 1.345 5.081 -7.628 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.519 5.677 -8.752 1.00 10.00 C ATOM 392 CD2 LEU A 40 0.932 5.675 -6.290 1.00 10.00 C ATOM 0 H LEU A 40 3.573 3.389 -8.334 1.00 10.00 H new ATOM 0 HA LEU A 40 2.281 3.218 -5.778 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.235 3.194 -8.634 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.222 3.306 -7.208 1.00 10.00 H new ATOM 0 HG LEU A 40 2.393 5.326 -7.803 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.632 6.761 -8.751 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.862 5.278 -9.707 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.531 5.421 -8.607 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.040 6.759 -6.324 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -0.107 5.420 -6.084 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.568 5.272 -5.501 1.00 10.00 H new ATOM 404 N SER A 41 2.782 0.526 -7.342 1.00 10.00 N ATOM 405 CA SER A 41 2.602 -0.914 -7.359 1.00 10.00 C ATOM 406 C SER A 41 2.570 -1.473 -5.938 1.00 10.00 C ATOM 407 O SER A 41 1.677 -2.246 -5.582 1.00 10.00 O ATOM 408 CB SER A 41 3.735 -1.543 -8.156 1.00 10.00 C ATOM 409 OG SER A 41 4.572 -0.533 -8.701 1.00 10.00 O ATOM 0 H SER A 41 3.613 0.848 -7.838 1.00 10.00 H new ATOM 0 HA SER A 41 1.648 -1.153 -7.829 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.319 -2.202 -7.513 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.327 -2.159 -8.957 1.00 10.00 H new ATOM 0 HG SER A 41 4.481 -0.524 -9.677 1.00 10.00 H new ATOM 415 N LYS A 42 3.536 -1.062 -5.119 1.00 10.00 N ATOM 416 CA LYS A 42 3.602 -1.521 -3.736 1.00 10.00 C ATOM 417 C LYS A 42 2.433 -0.958 -2.935 1.00 10.00 C ATOM 418 O LYS A 42 1.971 -1.576 -1.986 1.00 10.00 O ATOM 419 CB LYS A 42 4.928 -1.130 -3.065 1.00 10.00 C ATOM 420 CG LYS A 42 5.820 -0.211 -3.893 1.00 10.00 C ATOM 421 CD LYS A 42 6.923 0.415 -3.045 1.00 10.00 C ATOM 422 CE LYS A 42 7.732 -0.634 -2.294 1.00 10.00 C ATOM 423 NZ LYS A 42 8.481 -1.532 -3.211 1.00 10.00 N ATOM 0 H LYS A 42 4.278 -0.416 -5.388 1.00 10.00 H new ATOM 0 HA LYS A 42 3.543 -2.609 -3.752 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.708 -0.640 -2.116 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.483 -2.039 -2.833 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.266 -0.776 -4.711 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.215 0.576 -4.342 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.588 0.995 -3.686 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.481 1.111 -2.332 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.433 -0.137 -1.623 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.063 -1.229 -1.673 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.016 -2.229 -2.654 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.812 -2.027 -3.835 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.140 -0.969 -3.787 1.00 10.00 H new ATOM 437 N LEU A 43 1.953 0.212 -3.339 1.00 10.00 N ATOM 438 CA LEU A 43 0.833 0.861 -2.666 1.00 10.00 C ATOM 439 C LEU A 43 -0.427 0.019 -2.813 1.00 10.00 C ATOM 440 O LEU A 43 -1.197 -0.143 -1.865 1.00 10.00 O ATOM 441 CB LEU A 43 0.627 2.266 -3.249 1.00 10.00 C ATOM 442 CG LEU A 43 -0.612 3.019 -2.760 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.280 4.482 -2.523 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.746 2.893 -3.767 1.00 10.00 C ATOM 0 H LEU A 43 2.324 0.733 -4.133 1.00 10.00 H new ATOM 0 HA LEU A 43 1.053 0.955 -1.603 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.507 2.866 -3.019 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.573 2.183 -4.335 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.935 2.576 -1.818 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.171 5.006 -2.175 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.504 4.560 -1.770 1.00 10.00 H new ATOM 0 HD13 LEU A 43 0.065 4.932 -3.454 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.619 3.435 -3.402 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.432 3.312 -4.723 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -2.001 1.841 -3.898 1.00 10.00 H new ATOM 456 N MET A 44 -0.626 -0.529 -4.000 1.00 10.00 N ATOM 457 CA MET A 44 -1.790 -1.359 -4.266 1.00 10.00 C ATOM 458 C MET A 44 -1.655 -2.713 -3.575 1.00 10.00 C ATOM 459 O MET A 44 -2.623 -3.246 -3.037 1.00 10.00 O ATOM 460 CB MET A 44 -1.977 -1.550 -5.775 1.00 10.00 C ATOM 461 CG MET A 44 -2.381 -0.276 -6.503 1.00 10.00 C ATOM 462 SD MET A 44 -2.692 -0.542 -8.264 1.00 10.00 S ATOM 463 CE MET A 44 -1.026 -0.807 -8.866 1.00 10.00 C ATOM 0 H MET A 44 0.003 -0.414 -4.795 1.00 10.00 H new ATOM 0 HA MET A 44 -2.669 -0.853 -3.866 1.00 10.00 H new ATOM 0 HB2 MET A 44 -1.048 -1.925 -6.204 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.737 -2.313 -5.945 1.00 10.00 H new ATOM 0 HG2 MET A 44 -3.278 0.133 -6.038 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.594 0.469 -6.386 1.00 10.00 H new ATOM 0 HE1 MET A 44 -1.007 -0.685 -9.949 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.354 -0.082 -8.407 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.702 -1.815 -8.609 1.00 10.00 H new ATOM 473 N LYS A 45 -0.437 -3.243 -3.570 1.00 10.00 N ATOM 474 CA LYS A 45 -0.164 -4.536 -2.960 1.00 10.00 C ATOM 475 C LYS A 45 -0.216 -4.474 -1.434 1.00 10.00 C ATOM 476 O LYS A 45 -0.827 -5.332 -0.803 1.00 10.00 O ATOM 477 CB LYS A 45 1.200 -5.057 -3.414 1.00 10.00 C ATOM 478 CG LYS A 45 1.104 -6.178 -4.436 1.00 10.00 C ATOM 479 CD LYS A 45 2.469 -6.598 -4.951 1.00 10.00 C ATOM 480 CE LYS A 45 3.049 -5.565 -5.903 1.00 10.00 C ATOM 481 NZ LYS A 45 4.021 -6.175 -6.848 1.00 10.00 N ATOM 0 H LYS A 45 0.380 -2.793 -3.984 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.945 -5.221 -3.289 1.00 10.00 H new ATOM 0 HB2 LYS A 45 1.772 -4.233 -3.841 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.753 -5.413 -2.545 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.607 -7.037 -3.986 1.00 10.00 H new ATOM 0 HG3 LYS A 45 0.485 -5.854 -5.273 1.00 10.00 H new ATOM 0 HD2 LYS A 45 3.148 -6.741 -4.110 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.387 -7.558 -5.461 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.242 -5.093 -6.464 1.00 10.00 H new ATOM 0 HE3 LYS A 45 3.542 -4.779 -5.331 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 4.396 -5.441 -7.482 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 4.803 -6.603 -6.313 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 3.544 -6.908 -7.411 1.00 10.00 H new ATOM 495 N ALA A 46 0.411 -3.457 -0.851 1.00 10.00 N ATOM 496 CA ALA A 46 0.454 -3.298 0.603 1.00 10.00 C ATOM 497 C ALA A 46 -0.940 -3.314 1.225 1.00 10.00 C ATOM 498 O ALA A 46 -1.217 -4.114 2.118 1.00 10.00 O ATOM 499 CB ALA A 46 1.179 -2.012 0.973 1.00 10.00 C ATOM 0 H ALA A 46 0.900 -2.725 -1.365 1.00 10.00 H new ATOM 0 HA ALA A 46 1.001 -4.150 1.006 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.203 -1.907 2.058 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.199 -2.046 0.589 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.655 -1.161 0.538 1.00 10.00 H new ATOM 505 N TYR A 47 -1.820 -2.441 0.743 1.00 10.00 N ATOM 506 CA TYR A 47 -3.175 -2.366 1.278 1.00 10.00 C ATOM 507 C TYR A 47 -3.923 -3.669 1.032 1.00 10.00 C ATOM 508 O TYR A 47 -4.644 -4.152 1.904 1.00 10.00 O ATOM 509 CB TYR A 47 -3.942 -1.192 0.665 1.00 10.00 C ATOM 510 CG TYR A 47 -5.281 -0.932 1.327 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.409 -0.638 0.569 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.418 -0.993 2.712 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.632 -0.407 1.173 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.637 -0.764 3.319 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.740 -0.473 2.547 1.00 10.00 C ATOM 516 OH TYR A 47 -8.956 -0.242 3.151 1.00 10.00 O ATOM 0 H TYR A 47 -1.622 -1.782 -0.010 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.101 -2.204 2.353 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.330 -0.293 0.735 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -4.102 -1.387 -0.395 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -6.329 -0.589 -0.507 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.556 -1.223 3.321 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.499 -0.176 0.571 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.725 -0.813 4.394 1.00 10.00 H new ATOM 0 HH TYR A 47 -8.860 -0.328 4.123 1.00 10.00 H new ATOM 526 N CYS A 48 -3.728 -4.244 -0.147 1.00 10.00 N ATOM 527 CA CYS A 48 -4.380 -5.494 -0.505 1.00 10.00 C ATOM 528 C CYS A 48 -3.955 -6.609 0.446 1.00 10.00 C ATOM 529 O CYS A 48 -4.781 -7.408 0.896 1.00 10.00 O ATOM 530 CB CYS A 48 -4.043 -5.871 -1.945 1.00 10.00 C ATOM 531 SG CYS A 48 -5.003 -7.256 -2.582 1.00 10.00 S ATOM 0 H CYS A 48 -3.121 -3.862 -0.873 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.458 -5.359 -0.421 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -4.206 -5.004 -2.585 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -2.983 -6.118 -2.007 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.698 -8.335 -1.924 1.00 10.00 H new ATOM 537 N GLU A 49 -2.662 -6.652 0.757 1.00 10.00 N ATOM 538 CA GLU A 49 -2.122 -7.653 1.668 1.00 10.00 C ATOM 539 C GLU A 49 -2.710 -7.463 3.059 1.00 10.00 C ATOM 540 O GLU A 49 -2.983 -8.428 3.769 1.00 10.00 O ATOM 541 CB GLU A 49 -0.597 -7.552 1.735 1.00 10.00 C ATOM 542 CG GLU A 49 0.111 -8.078 0.499 1.00 10.00 C ATOM 543 CD GLU A 49 -0.203 -9.533 0.228 1.00 10.00 C ATOM 544 OE1 GLU A 49 -0.050 -10.364 1.152 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.597 -9.858 -0.910 1.00 10.00 O ATOM 0 H GLU A 49 -1.968 -6.002 0.389 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.392 -8.641 1.294 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.318 -6.509 1.885 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.244 -8.104 2.606 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -0.179 -7.480 -0.365 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.187 -7.959 0.622 1.00 10.00 H new ATOM 552 N ARG A 50 -2.912 -6.206 3.436 1.00 10.00 N ATOM 553 CA ARG A 50 -3.472 -5.871 4.740 1.00 10.00 C ATOM 554 C ARG A 50 -4.921 -6.338 4.839 1.00 10.00 C ATOM 555 O ARG A 50 -5.406 -6.673 5.920 1.00 10.00 O ATOM 556 CB ARG A 50 -3.398 -4.364 4.978 1.00 10.00 C ATOM 557 CG ARG A 50 -2.826 -3.987 6.333 1.00 10.00 C ATOM 558 CD ARG A 50 -3.014 -2.506 6.611 1.00 10.00 C ATOM 559 NE ARG A 50 -2.284 -2.057 7.794 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.825 -1.921 9.004 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.108 -2.207 9.206 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.083 -1.481 10.010 1.00 10.00 N ATOM 0 H ARG A 50 -2.695 -5.398 2.853 1.00 10.00 H new ATOM 0 HA ARG A 50 -2.886 -6.382 5.504 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -2.787 -3.911 4.197 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -4.398 -3.941 4.885 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -3.314 -4.572 7.113 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.765 -4.235 6.365 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.682 -1.933 5.745 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -4.076 -2.297 6.743 1.00 10.00 H new ATOM 0 HE ARG A 50 -1.295 -1.833 7.687 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -4.686 -2.533 8.431 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -4.514 -2.100 10.136 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.102 -1.248 9.856 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -2.493 -1.375 10.938 1.00 10.00 H new ATOM 576 N GLN A 51 -5.609 -6.350 3.706 1.00 10.00 N ATOM 577 CA GLN A 51 -7.000 -6.780 3.661 1.00 10.00 C ATOM 578 C GLN A 51 -7.082 -8.298 3.557 1.00 10.00 C ATOM 579 O GLN A 51 -8.112 -8.900 3.864 1.00 10.00 O ATOM 580 CB GLN A 51 -7.728 -6.132 2.481 1.00 10.00 C ATOM 581 CG GLN A 51 -7.741 -4.612 2.528 1.00 10.00 C ATOM 582 CD GLN A 51 -8.254 -4.067 3.849 1.00 10.00 C ATOM 583 OE1 GLN A 51 -7.486 -3.850 4.786 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.552 -3.836 3.930 1.00 10.00 N ATOM 0 H GLN A 51 -5.226 -6.066 2.804 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.486 -6.463 4.584 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -7.255 -6.454 1.553 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.756 -6.494 2.457 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.732 -4.239 2.354 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -8.364 -4.234 1.718 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.155 -4.029 3.131 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -9.951 -3.464 4.792 1.00 10.00 H new ATOM 593 N GLY A 52 -5.988 -8.909 3.123 1.00 10.00 N ATOM 594 CA GLY A 52 -5.944 -10.350 2.982 1.00 10.00 C ATOM 595 C GLY A 52 -6.668 -10.820 1.741 1.00 10.00 C ATOM 596 O GLY A 52 -7.413 -11.798 1.779 1.00 10.00 O ATOM 0 H GLY A 52 -5.126 -8.429 2.865 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.906 -10.679 2.942 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.392 -10.814 3.861 1.00 10.00 H new ATOM 600 N LEU A 53 -6.460 -10.114 0.641 1.00 10.00 N ATOM 601 CA LEU A 53 -7.098 -10.455 -0.622 1.00 10.00 C ATOM 602 C LEU A 53 -6.070 -10.454 -1.746 1.00 10.00 C ATOM 603 O LEU A 53 -4.895 -10.154 -1.523 1.00 10.00 O ATOM 604 CB LEU A 53 -8.218 -9.459 -0.946 1.00 10.00 C ATOM 605 CG LEU A 53 -9.331 -9.354 0.099 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.228 -8.165 -0.202 1.00 10.00 C ATOM 607 CD2 LEU A 53 -10.147 -10.638 0.143 1.00 10.00 C ATOM 0 H LEU A 53 -5.851 -9.297 0.597 1.00 10.00 H new ATOM 0 HA LEU A 53 -7.529 -11.452 -0.530 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -7.775 -8.472 -1.079 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.665 -9.739 -1.900 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.873 -9.205 1.077 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.015 -8.103 0.550 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.637 -7.249 -0.184 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.677 -8.288 -1.188 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.933 -10.544 0.892 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.596 -10.817 -0.834 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.497 -11.474 0.403 1.00 10.00 H new ATOM 619 N SER A 54 -6.512 -10.802 -2.943 1.00 10.00 N ATOM 620 CA SER A 54 -5.640 -10.817 -4.103 1.00 10.00 C ATOM 621 C SER A 54 -5.781 -9.501 -4.855 1.00 10.00 C ATOM 622 O SER A 54 -6.887 -8.974 -4.987 1.00 10.00 O ATOM 623 CB SER A 54 -5.987 -11.994 -5.023 1.00 10.00 C ATOM 624 OG SER A 54 -5.239 -11.946 -6.229 1.00 10.00 O ATOM 0 H SER A 54 -7.475 -11.079 -3.136 1.00 10.00 H new ATOM 0 HA SER A 54 -4.608 -10.937 -3.773 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.788 -12.933 -4.506 1.00 10.00 H new ATOM 0 HB3 SER A 54 -7.052 -11.977 -5.253 1.00 10.00 H new ATOM 0 HG SER A 54 -5.480 -12.709 -6.794 1.00 10.00 H new ATOM 630 N MET A 55 -4.669 -8.973 -5.355 1.00 10.00 N ATOM 631 CA MET A 55 -4.687 -7.709 -6.081 1.00 10.00 C ATOM 632 C MET A 55 -5.447 -7.859 -7.394 1.00 10.00 C ATOM 633 O MET A 55 -5.815 -6.872 -8.031 1.00 10.00 O ATOM 634 CB MET A 55 -3.263 -7.209 -6.340 1.00 10.00 C ATOM 635 CG MET A 55 -3.185 -5.710 -6.604 1.00 10.00 C ATOM 636 SD MET A 55 -1.491 -5.083 -6.629 1.00 10.00 S ATOM 637 CE MET A 55 -0.848 -5.892 -8.090 1.00 10.00 C ATOM 0 H MET A 55 -3.746 -9.400 -5.271 1.00 10.00 H new ATOM 0 HA MET A 55 -5.200 -6.970 -5.465 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.639 -7.452 -5.480 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.849 -7.743 -7.195 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.662 -5.490 -7.559 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.750 -5.182 -5.836 1.00 10.00 H new ATOM 0 HE1 MET A 55 0.141 -5.496 -8.319 1.00 10.00 H new ATOM 0 HE2 MET A 55 -0.777 -6.965 -7.910 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.516 -5.708 -8.931 1.00 10.00 H new ATOM 647 N ARG A 56 -5.684 -9.103 -7.790 1.00 10.00 N ATOM 648 CA ARG A 56 -6.417 -9.396 -9.012 1.00 10.00 C ATOM 649 C ARG A 56 -7.918 -9.391 -8.731 1.00 10.00 C ATOM 650 O ARG A 56 -8.736 -9.280 -9.643 1.00 10.00 O ATOM 651 CB ARG A 56 -5.986 -10.755 -9.565 1.00 10.00 C ATOM 652 CG ARG A 56 -6.360 -10.975 -11.018 1.00 10.00 C ATOM 653 CD ARG A 56 -5.767 -12.267 -11.552 1.00 10.00 C ATOM 654 NE ARG A 56 -6.154 -12.515 -12.938 1.00 10.00 N ATOM 655 CZ ARG A 56 -6.123 -13.716 -13.514 1.00 10.00 C ATOM 656 NH1 ARG A 56 -5.729 -14.776 -12.823 1.00 10.00 N ATOM 657 NH2 ARG A 56 -6.479 -13.850 -14.784 1.00 10.00 N ATOM 0 H ARG A 56 -5.376 -9.930 -7.278 1.00 10.00 H new ATOM 0 HA ARG A 56 -6.196 -8.629 -9.754 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.906 -10.853 -9.460 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -6.438 -11.542 -8.961 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.445 -11.003 -11.116 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.007 -10.136 -11.617 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.680 -12.223 -11.481 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -6.094 -13.100 -10.930 1.00 10.00 H new ATOM 0 HE ARG A 56 -6.467 -11.722 -13.498 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -5.449 -14.674 -11.848 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -5.706 -15.694 -13.266 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -6.776 -13.034 -15.319 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -6.456 -14.769 -15.226 1.00 10.00 H new ATOM 671 N GLN A 57 -8.264 -9.491 -7.452 1.00 10.00 N ATOM 672 CA GLN A 57 -9.659 -9.507 -7.020 1.00 10.00 C ATOM 673 C GLN A 57 -10.205 -8.087 -6.889 1.00 10.00 C ATOM 674 O GLN A 57 -11.408 -7.862 -6.982 1.00 10.00 O ATOM 675 CB GLN A 57 -9.779 -10.237 -5.678 1.00 10.00 C ATOM 676 CG GLN A 57 -11.204 -10.347 -5.161 1.00 10.00 C ATOM 677 CD GLN A 57 -11.263 -10.687 -3.685 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.399 -11.389 -3.153 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.280 -10.179 -3.010 1.00 10.00 N ATOM 0 H GLN A 57 -7.591 -9.563 -6.689 1.00 10.00 H new ATOM 0 HA GLN A 57 -10.246 -10.032 -7.773 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.363 -11.239 -5.782 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.173 -9.716 -4.937 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.723 -9.404 -5.334 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.734 -11.112 -5.728 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.973 -9.603 -3.488 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.372 -10.363 -2.011 1.00 10.00 H new ATOM 688 N ILE A 58 -9.319 -7.133 -6.683 1.00 10.00 N ATOM 689 CA ILE A 58 -9.729 -5.749 -6.528 1.00 10.00 C ATOM 690 C ILE A 58 -9.228 -4.884 -7.680 1.00 10.00 C ATOM 691 O ILE A 58 -8.493 -5.353 -8.552 1.00 10.00 O ATOM 692 CB ILE A 58 -9.233 -5.160 -5.191 1.00 10.00 C ATOM 693 CG1 ILE A 58 -7.739 -5.442 -5.000 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.042 -5.720 -4.029 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.162 -4.818 -3.748 1.00 10.00 C ATOM 0 H ILE A 58 -8.313 -7.289 -6.619 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.819 -5.744 -6.533 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.374 -4.079 -5.216 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.583 -6.520 -4.964 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.193 -5.069 -5.867 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -9.679 -5.294 -3.094 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.093 -5.463 -4.160 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -9.934 -6.804 -4.000 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.101 -5.059 -3.677 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.287 -3.736 -3.790 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -7.682 -5.209 -2.874 1.00 10.00 H new ATOM 707 N ARG A 59 -9.656 -3.629 -7.689 1.00 10.00 N ATOM 708 CA ARG A 59 -9.258 -2.675 -8.716 1.00 10.00 C ATOM 709 C ARG A 59 -8.978 -1.321 -8.082 1.00 10.00 C ATOM 710 O ARG A 59 -9.579 -0.974 -7.068 1.00 10.00 O ATOM 711 CB ARG A 59 -10.360 -2.521 -9.775 1.00 10.00 C ATOM 712 CG ARG A 59 -10.552 -3.741 -10.656 1.00 10.00 C ATOM 713 CD ARG A 59 -9.282 -4.098 -11.406 1.00 10.00 C ATOM 714 NE ARG A 59 -9.519 -5.123 -12.415 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.501 -6.431 -12.173 1.00 10.00 C ATOM 716 NH1 ARG A 59 -9.255 -6.882 -10.946 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.731 -7.285 -13.161 1.00 10.00 N ATOM 0 H ARG A 59 -10.287 -3.244 -6.987 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.356 -3.050 -9.199 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.302 -2.297 -9.273 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -10.124 -1.664 -10.406 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.863 -4.587 -10.043 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.355 -3.552 -11.369 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.878 -3.205 -11.883 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.530 -4.450 -10.700 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.711 -4.817 -13.369 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -9.079 -6.224 -10.187 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -9.242 -7.886 -10.765 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.921 -6.938 -14.101 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.718 -8.289 -12.981 1.00 10.00 H new ATOM 731 N PHE A 60 -8.070 -0.561 -8.674 1.00 10.00 N ATOM 732 CA PHE A 60 -7.722 0.759 -8.165 1.00 10.00 C ATOM 733 C PHE A 60 -7.884 1.796 -9.268 1.00 10.00 C ATOM 734 O PHE A 60 -7.528 1.544 -10.421 1.00 10.00 O ATOM 735 CB PHE A 60 -6.285 0.776 -7.640 1.00 10.00 C ATOM 736 CG PHE A 60 -6.078 -0.025 -6.385 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.806 -1.384 -6.449 1.00 10.00 C ATOM 738 CD2 PHE A 60 -6.141 0.584 -5.143 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.605 -2.119 -5.297 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.943 -0.148 -3.987 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.673 -1.501 -4.064 1.00 10.00 C ATOM 0 H PHE A 60 -7.558 -0.836 -9.512 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.392 1.000 -7.340 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.622 0.393 -8.416 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.991 1.809 -7.451 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.751 -1.873 -7.411 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.347 1.642 -5.077 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.395 -3.176 -5.361 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.999 0.338 -3.024 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.516 -2.074 -3.162 1.00 10.00 H new ATOM 751 N ARG A 61 -8.421 2.956 -8.923 1.00 10.00 N ATOM 752 CA ARG A 61 -8.629 4.012 -9.904 1.00 10.00 C ATOM 753 C ARG A 61 -8.183 5.369 -9.382 1.00 10.00 C ATOM 754 O ARG A 61 -8.217 5.633 -8.180 1.00 10.00 O ATOM 755 CB ARG A 61 -10.102 4.086 -10.314 1.00 10.00 C ATOM 756 CG ARG A 61 -10.481 3.096 -11.401 1.00 10.00 C ATOM 757 CD ARG A 61 -11.847 3.401 -11.991 1.00 10.00 C ATOM 758 NE ARG A 61 -12.207 2.449 -13.042 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.025 2.727 -14.058 1.00 10.00 C ATOM 760 NH1 ARG A 61 -13.576 3.932 -14.167 1.00 10.00 N ATOM 761 NH2 ARG A 61 -13.295 1.792 -14.966 1.00 10.00 N ATOM 0 H ARG A 61 -8.720 3.190 -7.976 1.00 10.00 H new ATOM 0 HA ARG A 61 -8.019 3.762 -10.772 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.724 3.906 -9.437 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.324 5.095 -10.660 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.731 3.119 -12.191 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.480 2.087 -10.990 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.599 3.374 -11.202 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -11.850 4.412 -12.399 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.806 1.512 -12.995 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -13.374 4.650 -13.471 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -14.201 4.138 -14.946 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -12.877 0.865 -14.884 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -13.920 2.002 -15.744 1.00 10.00 H new ATOM 775 N PHE A 62 -7.762 6.216 -10.309 1.00 10.00 N ATOM 776 CA PHE A 62 -7.319 7.565 -10.003 1.00 10.00 C ATOM 777 C PHE A 62 -7.813 8.510 -11.086 1.00 10.00 C ATOM 778 O PHE A 62 -7.593 8.258 -12.273 1.00 10.00 O ATOM 779 CB PHE A 62 -5.790 7.638 -9.907 1.00 10.00 C ATOM 780 CG PHE A 62 -5.264 9.047 -9.867 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.462 9.845 -8.752 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.583 9.578 -10.954 1.00 10.00 C ATOM 783 CE1 PHE A 62 -4.989 11.143 -8.721 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.108 10.875 -10.928 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.312 11.660 -9.811 1.00 10.00 C ATOM 0 H PHE A 62 -7.718 5.984 -11.301 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.731 7.856 -9.037 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.463 7.110 -9.011 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.354 7.119 -10.760 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.991 9.449 -7.898 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.422 8.969 -11.831 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.148 11.754 -7.845 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.578 11.274 -11.780 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.944 12.675 -9.788 1.00 10.00 H new ATOM 795 N ASP A 63 -8.512 9.572 -10.680 1.00 10.00 N ATOM 796 CA ASP A 63 -9.047 10.568 -11.618 1.00 10.00 C ATOM 797 C ASP A 63 -10.057 9.921 -12.572 1.00 10.00 C ATOM 798 O ASP A 63 -10.347 10.440 -13.649 1.00 10.00 O ATOM 799 CB ASP A 63 -7.894 11.228 -12.394 1.00 10.00 C ATOM 800 CG ASP A 63 -8.315 12.440 -13.204 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.845 13.406 -12.618 1.00 10.00 O ATOM 802 OD2 ASP A 63 -8.094 12.441 -14.434 1.00 10.00 O ATOM 0 H ASP A 63 -8.723 9.767 -9.701 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.571 11.341 -11.056 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.118 11.526 -11.689 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.451 10.491 -13.064 1.00 10.00 H new ATOM 807 N GLY A 64 -10.601 8.782 -12.158 1.00 10.00 N ATOM 808 CA GLY A 64 -11.569 8.077 -12.974 1.00 10.00 C ATOM 809 C GLY A 64 -10.919 7.094 -13.929 1.00 10.00 C ATOM 810 O GLY A 64 -11.608 6.415 -14.693 1.00 10.00 O ATOM 0 H GLY A 64 -10.387 8.333 -11.267 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.265 7.543 -12.327 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -12.154 8.799 -13.544 1.00 10.00 H new ATOM 814 N GLN A 65 -9.598 7.013 -13.891 1.00 10.00 N ATOM 815 CA GLN A 65 -8.863 6.108 -14.764 1.00 10.00 C ATOM 816 C GLN A 65 -8.202 4.999 -13.953 1.00 10.00 C ATOM 817 O GLN A 65 -7.796 5.222 -12.814 1.00 10.00 O ATOM 818 CB GLN A 65 -7.789 6.870 -15.548 1.00 10.00 C ATOM 819 CG GLN A 65 -8.303 8.105 -16.271 1.00 10.00 C ATOM 820 CD GLN A 65 -9.417 7.798 -17.257 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.514 6.691 -17.787 1.00 10.00 O ATOM 822 NE2 GLN A 65 -10.262 8.783 -17.515 1.00 10.00 N ATOM 0 H GLN A 65 -9.011 7.564 -13.264 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.573 5.667 -15.463 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.997 7.168 -14.861 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.341 6.196 -16.278 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.664 8.825 -15.536 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.477 8.578 -16.801 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -10.148 9.686 -17.055 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -11.027 8.639 -18.174 1.00 10.00 H new ATOM 831 N PRO A 66 -8.111 3.780 -14.508 1.00 10.00 N ATOM 832 CA PRO A 66 -7.469 2.651 -13.826 1.00 10.00 C ATOM 833 C PRO A 66 -5.969 2.881 -13.644 1.00 10.00 C ATOM 834 O PRO A 66 -5.288 3.345 -14.558 1.00 10.00 O ATOM 835 CB PRO A 66 -7.718 1.461 -14.765 1.00 10.00 C ATOM 836 CG PRO A 66 -8.798 1.905 -15.690 1.00 10.00 C ATOM 837 CD PRO A 66 -8.638 3.390 -15.826 1.00 10.00 C ATOM 0 HA PRO A 66 -7.869 2.499 -12.823 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.814 1.198 -15.314 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.020 0.576 -14.205 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.710 1.412 -16.658 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.781 1.653 -15.292 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.951 3.651 -16.631 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.586 3.881 -16.045 1.00 10.00 H new ATOM 845 N ILE A 67 -5.466 2.564 -12.457 1.00 10.00 N ATOM 846 CA ILE A 67 -4.050 2.743 -12.148 1.00 10.00 C ATOM 847 C ILE A 67 -3.217 1.575 -12.674 1.00 10.00 C ATOM 848 O ILE A 67 -3.621 0.412 -12.567 1.00 10.00 O ATOM 849 CB ILE A 67 -3.827 2.889 -10.625 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.679 4.037 -10.076 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.351 3.122 -10.310 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.620 4.168 -8.571 1.00 10.00 C ATOM 0 H ILE A 67 -6.018 2.181 -11.690 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.726 3.658 -12.644 1.00 10.00 H new ATOM 0 HB ILE A 67 -4.133 1.961 -10.142 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.348 4.972 -10.527 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.715 3.887 -10.379 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.220 3.221 -9.232 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.764 2.277 -10.670 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -2.014 4.034 -10.802 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.247 5.001 -8.253 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.980 3.247 -8.111 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.591 4.350 -8.262 1.00 10.00 H new ATOM 864 N ASN A 68 -2.064 1.891 -13.250 1.00 10.00 N ATOM 865 CA ASN A 68 -1.164 0.874 -13.783 1.00 10.00 C ATOM 866 C ASN A 68 -0.177 0.419 -12.712 1.00 10.00 C ATOM 867 O ASN A 68 0.065 1.129 -11.735 1.00 10.00 O ATOM 868 CB ASN A 68 -0.405 1.411 -15.000 1.00 10.00 C ATOM 869 CG ASN A 68 -1.191 1.266 -16.288 1.00 10.00 C ATOM 870 OD1 ASN A 68 -2.001 0.351 -16.439 1.00 10.00 O ATOM 871 ND2 ASN A 68 -0.954 2.164 -17.231 1.00 10.00 N ATOM 0 H ASN A 68 -1.728 2.848 -13.361 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.764 0.019 -14.094 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -0.167 2.463 -14.840 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.543 0.881 -15.095 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.450 2.112 -18.121 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -0.275 2.908 -17.068 1.00 10.00 H new ATOM 878 N GLU A 69 0.401 -0.762 -12.906 1.00 10.00 N ATOM 879 CA GLU A 69 1.358 -1.317 -11.950 1.00 10.00 C ATOM 880 C GLU A 69 2.762 -0.765 -12.175 1.00 10.00 C ATOM 881 O GLU A 69 3.714 -1.171 -11.509 1.00 10.00 O ATOM 882 CB GLU A 69 1.374 -2.843 -12.040 1.00 10.00 C ATOM 883 CG GLU A 69 0.191 -3.498 -11.348 1.00 10.00 C ATOM 884 CD GLU A 69 0.140 -4.994 -11.566 1.00 10.00 C ATOM 885 OE1 GLU A 69 1.183 -5.662 -11.407 1.00 10.00 O ATOM 886 OE2 GLU A 69 -0.950 -5.512 -11.887 1.00 10.00 O ATOM 0 H GLU A 69 0.224 -1.355 -13.717 1.00 10.00 H new ATOM 0 HA GLU A 69 1.037 -1.019 -10.952 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.381 -3.138 -13.089 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.297 -3.217 -11.597 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.242 -3.293 -10.279 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.732 -3.050 -11.715 1.00 10.00 H new ATOM 893 N THR A 70 2.889 0.149 -13.118 1.00 10.00 N ATOM 894 CA THR A 70 4.173 0.758 -13.420 1.00 10.00 C ATOM 895 C THR A 70 4.069 2.278 -13.363 1.00 10.00 C ATOM 896 O THR A 70 4.807 2.994 -14.041 1.00 10.00 O ATOM 897 CB THR A 70 4.673 0.324 -14.809 1.00 10.00 C ATOM 898 OG1 THR A 70 3.558 0.006 -15.658 1.00 10.00 O ATOM 899 CG2 THR A 70 5.598 -0.881 -14.697 1.00 10.00 C ATOM 0 H THR A 70 2.116 0.488 -13.691 1.00 10.00 H new ATOM 0 HA THR A 70 4.888 0.421 -12.670 1.00 10.00 H new ATOM 0 HB THR A 70 5.232 1.151 -15.246 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.886 -0.267 -16.540 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.940 -1.171 -15.691 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.458 -0.623 -14.078 1.00 10.00 H new ATOM 0 HG23 THR A 70 5.059 -1.712 -14.242 1.00 10.00 H new ATOM 907 N ASP A 71 3.162 2.765 -12.530 1.00 10.00 N ATOM 908 CA ASP A 71 2.950 4.199 -12.396 1.00 10.00 C ATOM 909 C ASP A 71 3.481 4.717 -11.067 1.00 10.00 C ATOM 910 O ASP A 71 3.659 3.959 -10.108 1.00 10.00 O ATOM 911 CB ASP A 71 1.465 4.535 -12.533 1.00 10.00 C ATOM 912 CG ASP A 71 1.156 5.207 -13.853 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.259 4.724 -14.577 1.00 10.00 O ATOM 914 OD2 ASP A 71 1.818 6.214 -14.175 1.00 10.00 O ATOM 0 H ASP A 71 2.562 2.191 -11.938 1.00 10.00 H new ATOM 0 HA ASP A 71 3.502 4.691 -13.197 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.877 3.622 -12.445 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.164 5.188 -11.714 1.00 10.00 H new ATOM 919 N THR A 72 3.727 6.017 -11.022 1.00 10.00 N ATOM 920 CA THR A 72 4.236 6.674 -9.831 1.00 10.00 C ATOM 921 C THR A 72 3.445 7.959 -9.575 1.00 10.00 C ATOM 922 O THR A 72 2.798 8.475 -10.487 1.00 10.00 O ATOM 923 CB THR A 72 5.734 7.005 -9.990 1.00 10.00 C ATOM 924 OG1 THR A 72 6.041 7.201 -11.375 1.00 10.00 O ATOM 925 CG2 THR A 72 6.606 5.893 -9.430 1.00 10.00 C ATOM 0 H THR A 72 3.579 6.646 -11.811 1.00 10.00 H new ATOM 0 HA THR A 72 4.119 5.999 -8.983 1.00 10.00 H new ATOM 0 HB THR A 72 5.941 7.918 -9.431 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.993 7.413 -11.472 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.656 6.155 -9.557 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.390 5.761 -8.370 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.397 4.964 -9.961 1.00 10.00 H new ATOM 933 N PRO A 73 3.471 8.497 -8.343 1.00 10.00 N ATOM 934 CA PRO A 73 2.743 9.730 -8.010 1.00 10.00 C ATOM 935 C PRO A 73 3.152 10.900 -8.904 1.00 10.00 C ATOM 936 O PRO A 73 2.309 11.674 -9.356 1.00 10.00 O ATOM 937 CB PRO A 73 3.134 10.002 -6.554 1.00 10.00 C ATOM 938 CG PRO A 73 3.574 8.684 -6.019 1.00 10.00 C ATOM 939 CD PRO A 73 4.189 7.951 -7.175 1.00 10.00 C ATOM 0 HA PRO A 73 1.669 9.620 -8.157 1.00 10.00 H new ATOM 0 HB2 PRO A 73 3.934 10.740 -6.492 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.291 10.397 -5.986 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.294 8.812 -5.211 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.731 8.128 -5.609 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.262 8.132 -7.241 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.053 6.873 -7.087 1.00 10.00 H new ATOM 947 N ALA A 74 4.448 11.003 -9.175 1.00 10.00 N ATOM 948 CA ALA A 74 4.973 12.075 -10.014 1.00 10.00 C ATOM 949 C ALA A 74 4.734 11.793 -11.496 1.00 10.00 C ATOM 950 O ALA A 74 5.050 12.615 -12.355 1.00 10.00 O ATOM 951 CB ALA A 74 6.458 12.276 -9.746 1.00 10.00 C ATOM 0 H ALA A 74 5.156 10.357 -8.826 1.00 10.00 H new ATOM 0 HA ALA A 74 4.439 12.990 -9.759 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.837 13.079 -10.379 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.606 12.539 -8.699 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.996 11.354 -9.968 1.00 10.00 H new ATOM 957 N GLN A 75 4.175 10.627 -11.792 1.00 10.00 N ATOM 958 CA GLN A 75 3.892 10.246 -13.167 1.00 10.00 C ATOM 959 C GLN A 75 2.421 10.482 -13.490 1.00 10.00 C ATOM 960 O GLN A 75 2.056 10.731 -14.636 1.00 10.00 O ATOM 961 CB GLN A 75 4.245 8.776 -13.396 1.00 10.00 C ATOM 962 CG GLN A 75 4.498 8.432 -14.853 1.00 10.00 C ATOM 963 CD GLN A 75 5.689 9.172 -15.427 1.00 10.00 C ATOM 964 OE1 GLN A 75 6.655 9.472 -14.722 1.00 10.00 O ATOM 965 NE2 GLN A 75 5.631 9.477 -16.712 1.00 10.00 N ATOM 0 H GLN A 75 3.909 9.929 -11.097 1.00 10.00 H new ATOM 0 HA GLN A 75 4.502 10.862 -13.827 1.00 10.00 H new ATOM 0 HB2 GLN A 75 5.133 8.529 -12.814 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.433 8.153 -13.020 1.00 10.00 H new ATOM 0 HG2 GLN A 75 4.662 7.358 -14.946 1.00 10.00 H new ATOM 0 HG3 GLN A 75 3.610 8.670 -15.438 1.00 10.00 H new ATOM 0 HE21 GLN A 75 4.815 9.212 -17.263 1.00 10.00 H new ATOM 0 HE22 GLN A 75 6.403 9.978 -17.153 1.00 10.00 H new ATOM 974 N LEU A 76 1.579 10.403 -12.469 1.00 10.00 N ATOM 975 CA LEU A 76 0.149 10.615 -12.642 1.00 10.00 C ATOM 976 C LEU A 76 -0.249 12.011 -12.187 1.00 10.00 C ATOM 977 O LEU A 76 -1.437 12.312 -12.060 1.00 10.00 O ATOM 978 CB LEU A 76 -0.644 9.564 -11.864 1.00 10.00 C ATOM 979 CG LEU A 76 -0.629 8.155 -12.462 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.368 7.187 -11.554 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.246 8.156 -13.853 1.00 10.00 C ATOM 0 H LEU A 76 1.862 10.193 -11.512 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.082 10.518 -13.703 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.250 9.514 -10.849 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.679 9.897 -11.788 1.00 10.00 H new ATOM 0 HG LEU A 76 0.407 7.829 -12.547 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.349 6.189 -11.993 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -0.885 7.163 -10.577 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.402 7.513 -11.439 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -1.226 7.145 -14.261 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.278 8.503 -13.793 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.677 8.821 -14.503 1.00 10.00 H new ATOM 993 N GLU A 77 0.751 12.860 -11.953 1.00 10.00 N ATOM 994 CA GLU A 77 0.526 14.235 -11.509 1.00 10.00 C ATOM 995 C GLU A 77 -0.318 14.262 -10.241 1.00 10.00 C ATOM 996 O GLU A 77 -1.283 15.021 -10.132 1.00 10.00 O ATOM 997 CB GLU A 77 -0.150 15.054 -12.614 1.00 10.00 C ATOM 998 CG GLU A 77 0.505 14.902 -13.978 1.00 10.00 C ATOM 999 CD GLU A 77 1.918 15.443 -14.015 1.00 10.00 C ATOM 1000 OE1 GLU A 77 2.130 16.519 -14.616 1.00 10.00 O ATOM 1001 OE2 GLU A 77 2.825 14.799 -13.450 1.00 10.00 O ATOM 0 H GLU A 77 1.735 12.616 -12.065 1.00 10.00 H new ATOM 0 HA GLU A 77 1.495 14.682 -11.287 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -1.195 14.754 -12.688 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -0.139 16.107 -12.331 1.00 10.00 H new ATOM 0 HG2 GLU A 77 0.517 13.848 -14.254 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -0.097 15.420 -14.725 1.00 10.00 H new ATOM 1008 N MET A 78 0.052 13.421 -9.286 1.00 10.00 N ATOM 1009 CA MET A 78 -0.665 13.333 -8.025 1.00 10.00 C ATOM 1010 C MET A 78 -0.069 14.295 -7.013 1.00 10.00 C ATOM 1011 O MET A 78 1.147 14.474 -6.956 1.00 10.00 O ATOM 1012 CB MET A 78 -0.610 11.911 -7.466 1.00 10.00 C ATOM 1013 CG MET A 78 -1.170 10.861 -8.407 1.00 10.00 C ATOM 1014 SD MET A 78 -1.254 9.225 -7.653 1.00 10.00 S ATOM 1015 CE MET A 78 -2.569 9.479 -6.461 1.00 10.00 C ATOM 0 H MET A 78 0.848 12.788 -9.362 1.00 10.00 H new ATOM 0 HA MET A 78 -1.706 13.599 -8.211 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.425 11.662 -7.233 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.164 11.878 -6.528 1.00 10.00 H new ATOM 0 HG2 MET A 78 -2.168 11.161 -8.727 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.549 10.813 -9.302 1.00 10.00 H new ATOM 0 HE1 MET A 78 -2.312 8.984 -5.525 1.00 10.00 H new ATOM 0 HE2 MET A 78 -2.698 10.547 -6.283 1.00 10.00 H new ATOM 0 HE3 MET A 78 -3.498 9.061 -6.849 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.928 14.906 -6.218 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.485 15.849 -5.207 1.00 10.00 C ATOM 1027 C GLU A 79 -0.900 15.381 -3.820 1.00 10.00 C ATOM 1028 O GLU A 79 -1.514 14.322 -3.672 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.053 17.240 -5.488 1.00 10.00 C ATOM 1030 CG GLU A 79 -0.381 17.951 -6.653 1.00 10.00 C ATOM 1031 CD GLU A 79 1.132 17.900 -6.582 1.00 10.00 C ATOM 1032 OE1 GLU A 79 1.695 18.119 -5.489 1.00 10.00 O ATOM 1033 OE2 GLU A 79 1.770 17.645 -7.624 1.00 10.00 O ATOM 0 H GLU A 79 -1.938 14.766 -6.253 1.00 10.00 H new ATOM 0 HA GLU A 79 0.603 15.903 -5.243 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -2.120 17.152 -5.694 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -0.951 17.852 -4.592 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -0.711 17.498 -7.588 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.704 18.992 -6.672 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.562 16.168 -2.809 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.891 15.828 -1.430 1.00 10.00 C ATOM 1042 C ASP A 80 -2.394 15.866 -1.213 1.00 10.00 C ATOM 1043 O ASP A 80 -3.119 16.544 -1.946 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.202 16.788 -0.455 1.00 10.00 C ATOM 1045 CG ASP A 80 1.016 16.175 0.209 1.00 10.00 C ATOM 1046 OD1 ASP A 80 2.150 16.492 -0.210 1.00 10.00 O ATOM 1047 OD2 ASP A 80 0.848 15.378 1.155 1.00 10.00 O ATOM 0 H ASP A 80 -0.059 17.049 -2.917 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.532 14.817 -1.240 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.096 17.690 -0.990 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.914 17.093 0.312 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.854 15.110 -0.220 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.274 15.048 0.129 1.00 10.00 C ATOM 1054 C GLU A 81 -5.111 14.484 -1.015 1.00 10.00 C ATOM 1055 O GLU A 81 -6.287 14.823 -1.164 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.796 16.433 0.531 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.123 17.000 1.767 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.121 17.456 2.803 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.578 18.616 2.729 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -5.455 16.655 3.699 1.00 10.00 O ATOM 0 H GLU A 81 -2.257 14.525 0.365 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.369 14.373 0.980 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.650 17.122 -0.301 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.870 16.370 0.709 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -3.470 16.243 2.202 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.490 17.840 1.481 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.510 13.611 -1.813 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.217 13.006 -2.933 1.00 10.00 C ATOM 1069 C ASP A 82 -6.031 11.810 -2.462 1.00 10.00 C ATOM 1070 O ASP A 82 -5.917 11.393 -1.310 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.247 12.584 -4.032 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.767 12.954 -5.404 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.851 12.464 -5.777 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -4.109 13.758 -6.100 1.00 10.00 O ATOM 0 H ASP A 82 -3.542 13.308 -1.707 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.894 13.753 -3.347 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.280 13.060 -3.868 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.085 11.507 -3.982 1.00 10.00 H new ATOM 1079 N THR A 83 -6.841 11.252 -3.349 1.00 10.00 N ATOM 1080 CA THR A 83 -7.681 10.117 -2.996 1.00 10.00 C ATOM 1081 C THR A 83 -7.608 9.014 -4.050 1.00 10.00 C ATOM 1082 O THR A 83 -7.700 9.272 -5.249 1.00 10.00 O ATOM 1083 CB THR A 83 -9.148 10.554 -2.815 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.189 11.806 -2.115 1.00 10.00 O ATOM 1085 CG2 THR A 83 -9.941 9.513 -2.038 1.00 10.00 C ATOM 0 H THR A 83 -6.935 11.565 -4.315 1.00 10.00 H new ATOM 0 HA THR A 83 -7.303 9.722 -2.053 1.00 10.00 H new ATOM 0 HB THR A 83 -9.598 10.660 -3.802 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.121 12.086 -2.000 1.00 10.00 H new ATOM 0 HG21 THR A 83 -10.972 9.850 -1.926 1.00 10.00 H new ATOM 0 HG22 THR A 83 -9.925 8.566 -2.578 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.495 9.377 -1.053 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.425 7.786 -3.585 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.350 6.625 -4.464 1.00 10.00 C ATOM 1095 C ILE A 84 -8.596 5.764 -4.288 1.00 10.00 C ATOM 1096 O ILE A 84 -8.977 5.436 -3.161 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.086 5.785 -4.181 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -4.835 6.648 -4.364 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -6.036 4.560 -5.090 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.554 5.971 -3.932 1.00 10.00 C ATOM 0 H ILE A 84 -7.325 7.566 -2.594 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.293 6.982 -5.492 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.122 5.435 -3.149 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.750 6.929 -5.414 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -4.956 7.571 -3.796 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.137 3.983 -4.873 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -6.916 3.941 -4.915 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -6.019 4.880 -6.132 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -2.714 6.646 -4.093 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -3.617 5.715 -2.874 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.407 5.063 -4.517 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.228 5.408 -5.400 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.450 4.610 -5.370 1.00 10.00 C ATOM 1114 C ASP A 85 -10.148 3.120 -5.440 1.00 10.00 C ATOM 1115 O ASP A 85 -9.215 2.698 -6.130 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.359 5.000 -6.537 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.801 5.168 -6.111 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.339 4.270 -5.430 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -13.405 6.207 -6.456 1.00 10.00 O ATOM 0 H ASP A 85 -8.914 5.660 -6.337 1.00 10.00 H new ATOM 0 HA ASP A 85 -10.953 4.812 -4.424 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -11.002 5.931 -6.977 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -11.298 4.237 -7.313 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.948 2.331 -4.728 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.793 0.881 -4.700 1.00 10.00 C ATOM 1126 C VAL A 86 -12.118 0.199 -5.042 1.00 10.00 C ATOM 1127 O VAL A 86 -13.153 0.496 -4.441 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.318 0.369 -3.319 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.896 -1.094 -3.400 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -9.181 1.223 -2.778 1.00 10.00 C ATOM 0 H VAL A 86 -11.719 2.678 -4.157 1.00 10.00 H new ATOM 0 HA VAL A 86 -10.033 0.633 -5.441 1.00 10.00 H new ATOM 0 HB VAL A 86 -11.158 0.448 -2.628 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.566 -1.432 -2.418 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.742 -1.699 -3.727 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.078 -1.198 -4.113 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.868 0.839 -1.807 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.339 1.189 -3.470 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -9.520 2.253 -2.669 1.00 10.00 H new ATOM 1140 N PHE A 87 -12.081 -0.712 -6.003 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.273 -1.439 -6.426 1.00 10.00 C ATOM 1142 C PHE A 87 -13.047 -2.944 -6.325 1.00 10.00 C ATOM 1143 O PHE A 87 -11.921 -3.396 -6.114 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.643 -1.078 -7.870 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.100 0.342 -8.052 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.418 0.697 -7.807 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.212 1.321 -8.473 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.842 2.001 -7.982 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.632 2.626 -8.647 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.947 2.967 -8.400 1.00 10.00 C ATOM 0 H PHE A 87 -11.233 -0.968 -6.509 1.00 10.00 H new ATOM 0 HA PHE A 87 -14.091 -1.153 -5.765 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.778 -1.254 -8.510 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.433 -1.748 -8.209 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -16.121 -0.053 -7.476 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.182 1.061 -8.667 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.872 2.264 -7.792 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -12.932 3.379 -8.976 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.275 3.987 -8.533 1.00 10.00 H new ATOM 1160 N GLN A 88 -14.118 -3.710 -6.484 1.00 10.00 N ATOM 1161 CA GLN A 88 -14.048 -5.168 -6.421 1.00 10.00 C ATOM 1162 C GLN A 88 -14.366 -5.770 -7.785 1.00 10.00 C ATOM 1163 O GLN A 88 -15.227 -5.261 -8.509 1.00 10.00 O ATOM 1164 CB GLN A 88 -15.025 -5.711 -5.373 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.532 -5.563 -3.942 1.00 10.00 C ATOM 1166 CD GLN A 88 -13.758 -6.775 -3.459 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.128 -7.482 -4.243 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -13.808 -7.028 -2.160 1.00 10.00 N ATOM 0 H GLN A 88 -15.054 -3.344 -6.659 1.00 10.00 H new ATOM 0 HA GLN A 88 -13.035 -5.450 -6.133 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.978 -5.192 -5.475 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -15.213 -6.765 -5.576 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.897 -4.680 -3.871 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.385 -5.396 -3.284 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.342 -6.417 -1.542 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -13.313 -7.834 -1.778 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.666 -6.839 -8.133 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.877 -7.517 -9.406 1.00 10.00 C ATOM 1179 C GLN A 89 -15.150 -8.357 -9.359 1.00 10.00 C ATOM 1180 O GLN A 89 -15.452 -8.988 -8.345 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.662 -8.393 -9.746 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.807 -9.225 -11.019 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.157 -8.392 -12.241 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.832 -7.207 -12.318 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.810 -9.011 -13.212 1.00 10.00 N ATOM 0 H GLN A 89 -12.943 -7.259 -7.549 1.00 10.00 H new ATOM 0 HA GLN A 89 -13.993 -6.766 -10.188 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.786 -7.752 -9.846 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.471 -9.065 -8.909 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.875 -9.758 -11.205 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.580 -9.978 -10.867 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.062 -9.994 -13.111 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -14.061 -8.505 -14.061 1.00 10.00 H new ATOM 1194 N GLN A 90 -15.888 -8.348 -10.462 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.134 -9.096 -10.583 1.00 10.00 C ATOM 1196 C GLN A 90 -16.914 -10.590 -10.340 1.00 10.00 C ATOM 1197 O GLN A 90 -15.857 -11.135 -10.664 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.739 -8.880 -11.975 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.457 -7.547 -12.140 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.520 -6.355 -12.154 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.369 -6.454 -12.576 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -18.014 -5.216 -11.696 1.00 10.00 N ATOM 0 H GLN A 90 -15.639 -7.821 -11.299 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.823 -8.727 -9.823 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -16.945 -8.948 -12.719 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.441 -9.687 -12.184 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.027 -7.562 -13.069 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.174 -7.426 -11.328 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.975 -5.177 -11.355 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.434 -4.377 -11.684 1.00 10.00 H new ATOM 1211 N THR A 91 -17.915 -11.244 -9.768 1.00 10.00 N ATOM 1212 CA THR A 91 -17.826 -12.668 -9.478 1.00 10.00 C ATOM 1213 C THR A 91 -18.268 -13.506 -10.673 1.00 10.00 C ATOM 1214 O THR A 91 -17.786 -14.622 -10.871 1.00 10.00 O ATOM 1215 CB THR A 91 -18.692 -13.026 -8.260 1.00 10.00 C ATOM 1216 OG1 THR A 91 -19.828 -12.153 -8.202 1.00 10.00 O ATOM 1217 CG2 THR A 91 -17.892 -12.917 -6.969 1.00 10.00 C ATOM 0 H THR A 91 -18.798 -10.812 -9.496 1.00 10.00 H new ATOM 0 HA THR A 91 -16.781 -12.891 -9.261 1.00 10.00 H new ATOM 0 HB THR A 91 -19.027 -14.058 -8.368 1.00 10.00 H new ATOM 0 HG1 THR A 91 -20.379 -12.385 -7.426 1.00 10.00 H new ATOM 0 HG21 THR A 91 -18.529 -13.176 -6.123 1.00 10.00 H new ATOM 0 HG22 THR A 91 -17.044 -13.601 -7.007 1.00 10.00 H new ATOM 0 HG23 THR A 91 -17.529 -11.896 -6.851 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.187 -12.962 -11.462 1.00 10.00 N ATOM 1226 CA GLY A 92 -19.684 -13.669 -12.629 1.00 10.00 C ATOM 1227 C GLY A 92 -21.111 -13.290 -12.963 1.00 10.00 C ATOM 1228 O GLY A 92 -21.685 -12.411 -12.315 1.00 10.00 O ATOM 0 H GLY A 92 -19.599 -12.041 -11.314 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.043 -13.452 -13.483 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -19.627 -14.743 -12.452 1.00 10.00 H new ATOM 1233 N ASP B 195 -13.743 6.371 15.335 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.467 6.478 13.906 1.00 10.00 C ATOM 1235 C ASP B 195 -12.372 5.496 13.515 1.00 10.00 C ATOM 1236 O ASP B 195 -11.708 4.928 14.384 1.00 10.00 O ATOM 1237 CB ASP B 195 -13.038 7.900 13.558 1.00 10.00 C ATOM 1238 CG ASP B 195 -13.768 8.443 12.352 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -13.790 9.677 12.176 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.337 7.641 11.578 1.00 10.00 O ATOM 0 HA ASP B 195 -14.375 6.239 13.353 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -13.220 8.551 14.413 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -11.965 7.917 13.368 1.00 10.00 H new ATOM 1245 N THR B 196 -12.170 5.286 12.223 1.00 10.00 N ATOM 1246 CA THR B 196 -11.140 4.360 11.791 1.00 10.00 C ATOM 1247 C THR B 196 -10.093 5.063 10.944 1.00 10.00 C ATOM 1248 O THR B 196 -10.409 5.673 9.921 1.00 10.00 O ATOM 1249 CB THR B 196 -11.751 3.202 10.985 1.00 10.00 C ATOM 1250 OG1 THR B 196 -12.857 3.684 10.202 1.00 10.00 O ATOM 1251 CG2 THR B 196 -12.219 2.086 11.910 1.00 10.00 C ATOM 0 H THR B 196 -12.694 5.734 11.471 1.00 10.00 H new ATOM 0 HA THR B 196 -10.662 3.963 12.687 1.00 10.00 H new ATOM 0 HB THR B 196 -10.985 2.800 10.322 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.242 2.943 9.689 1.00 10.00 H new ATOM 0 HG21 THR B 196 -12.648 1.278 11.317 1.00 10.00 H new ATOM 0 HG22 THR B 196 -11.371 1.707 12.481 1.00 10.00 H new ATOM 0 HG23 THR B 196 -12.974 2.473 12.595 1.00 10.00 H new ATOM 1259 N ALA B 197 -8.849 4.969 11.384 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.739 5.578 10.677 1.00 10.00 C ATOM 1261 C ALA B 197 -6.666 4.540 10.385 1.00 10.00 C ATOM 1262 O ALA B 197 -6.249 3.806 11.280 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.161 6.733 11.488 1.00 10.00 C ATOM 0 H ALA B 197 -8.583 4.472 12.234 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.104 5.973 9.729 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.329 7.179 10.944 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -7.933 7.485 11.651 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -6.808 6.361 12.450 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.236 4.459 9.138 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.184 3.527 8.782 1.00 10.00 C ATOM 1271 C GLY B 198 -4.007 4.253 8.181 1.00 10.00 C ATOM 1272 O GLY B 198 -4.177 5.043 7.261 1.00 10.00 O ATOM 0 H GLY B 198 -6.594 5.020 8.365 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.864 2.977 9.667 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.566 2.794 8.072 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.817 4.012 8.704 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.636 4.664 8.168 1.00 10.00 C ATOM 1278 C CYS B 199 -0.628 3.630 7.686 1.00 10.00 C ATOM 1279 O CYS B 199 -0.228 2.735 8.434 1.00 10.00 O ATOM 1280 CB CYS B 199 -1.002 5.564 9.235 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.181 6.613 10.115 1.00 10.00 S ATOM 0 H CYS B 199 -2.644 3.380 9.486 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.933 5.278 7.318 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.479 4.938 9.958 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.252 6.198 8.761 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.549 7.332 10.995 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.252 3.743 6.419 1.00 10.00 N ATOM 1288 CA ILE B 200 0.723 2.845 5.821 1.00 10.00 C ATOM 1289 C ILE B 200 1.866 3.636 5.183 1.00 10.00 C ATOM 1290 O ILE B 200 1.622 4.595 4.450 1.00 10.00 O ATOM 1291 CB ILE B 200 0.082 1.914 4.764 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.152 1.212 5.348 1.00 10.00 C ATOM 1293 CG2 ILE B 200 1.098 0.886 4.290 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -1.763 0.178 4.428 1.00 10.00 C ATOM 0 H ILE B 200 -0.612 4.454 5.782 1.00 10.00 H new ATOM 0 HA ILE B 200 1.117 2.223 6.625 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.233 2.516 3.912 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -0.874 0.731 6.286 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -1.906 1.962 5.586 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.638 0.235 3.546 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.952 1.397 3.846 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.433 0.288 5.137 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.629 -0.273 4.912 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.074 0.656 3.499 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.026 -0.595 4.209 1.00 10.00 H new ATOM 1306 N VAL B 201 3.100 3.265 5.473 1.00 10.00 N ATOM 1307 CA VAL B 201 4.250 3.934 4.881 1.00 10.00 C ATOM 1308 C VAL B 201 5.077 2.929 4.087 1.00 10.00 C ATOM 1309 O VAL B 201 5.418 1.858 4.593 1.00 10.00 O ATOM 1310 CB VAL B 201 5.130 4.632 5.952 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.470 3.687 7.092 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.402 5.193 5.336 1.00 10.00 C ATOM 0 H VAL B 201 3.334 2.506 6.113 1.00 10.00 H new ATOM 0 HA VAL B 201 3.879 4.711 4.212 1.00 10.00 H new ATOM 0 HB VAL B 201 4.549 5.460 6.358 1.00 10.00 H new ATOM 0 HG11 VAL B 201 6.087 4.208 7.824 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.551 3.346 7.569 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.016 2.828 6.702 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.999 5.676 6.110 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.977 4.383 4.887 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.144 5.923 4.569 1.00 10.00 H new ATOM 1322 N ILE B 202 5.366 3.253 2.834 1.00 10.00 N ATOM 1323 CA ILE B 202 6.146 2.367 1.984 1.00 10.00 C ATOM 1324 C ILE B 202 7.391 3.087 1.489 1.00 10.00 C ATOM 1325 O ILE B 202 7.315 4.224 1.018 1.00 10.00 O ATOM 1326 CB ILE B 202 5.332 1.806 0.778 1.00 10.00 C ATOM 1327 CG1 ILE B 202 5.145 2.869 -0.312 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.985 1.264 1.247 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.275 2.431 -1.468 1.00 10.00 C ATOM 0 H ILE B 202 5.072 4.121 2.385 1.00 10.00 H new ATOM 0 HA ILE B 202 6.430 1.510 2.594 1.00 10.00 H new ATOM 0 HB ILE B 202 5.901 0.985 0.342 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.708 3.761 0.138 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.124 3.153 -0.697 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.431 0.877 0.392 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.146 0.463 1.968 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.414 2.065 1.717 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.196 3.242 -2.192 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.719 1.559 -1.948 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.282 2.176 -1.099 1.00 10.00 H new