USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 710 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: B 40 ASN : amide:sc= 0.839 K(o=1.6,f=-0.012) USER MOD Set 1.2: B 43 GLN : amide:sc= 0.725 K(o=1.6,f=-0.77) USER MOD Set 2.1: B 16 ASN : amide:sc= 0.833 K(o=1.6,f=0.46) USER MOD Set 2.2: B 18 LYS NZ :NH3+ 173:sc= 0.718 (180deg=0.675) USER MOD Set 3.1: A 27 SER OG : rot 152:sc= 1.35 USER MOD Set 3.2: B 6 CYS SG : rot 166:sc= 0.575 USER MOD Set 3.3: B 9 THR OG1 : rot -51:sc= 0.835 USER MOD Set 4.1: A 43 GLN : amide:sc= 1.66 K(o=3.4,f=-6.6!) USER MOD Set 4.2: A 44 ASN : amide:sc= 0.649 K(o=3.4,f=-6.8) USER MOD Set 4.3: B 28 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0) USER MOD Set 5.1: A 4 MET CE :methyl -124:sc= 0 (180deg=-0.00718) USER MOD Set 5.2: A 16 ASN : amide:sc= 1.36 K(o=3,f=-7.1!) USER MOD Set 5.3: A 18 LYS NZ :NH3+ -168:sc= 1.69 (180deg=1.17) USER MOD Set 6.1: A 6 CYS SG : rot 170:sc= -0.225 USER MOD Set 6.2: A 9 THR OG1 : rot -60:sc= 0.829 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.000168) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.862 (180deg=0.47) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 CYS SG : rot -94:sc= 0.414 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.627 K(o=0.63,f=-0.004) USER MOD Single : A 13 SER OG : rot -100:sc= 0.304 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 GLN : amide:sc= 0.0714 X(o=0.071,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 1.4 (180deg=1.25) USER MOD Single : B 1 MET CE :methyl 170:sc= 0 (180deg=-0.24) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 CYS SG : rot 180:sc= 0 USER MOD Single : B 4 MET CE :methyl -175:sc= 0 (180deg=-0.0195) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 SER OG : rot -130:sc= -0.0302 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot -150:sc= 0.101 USER MOD Single : B 33 GLN : amide:sc= 0.0172 X(o=0.017,f=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.576 K(o=0.58,f=-0.26) USER MOD Single : B 41 GLN : amide:sc= 0.821 K(o=0.82,f=0) USER MOD Single : B 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 LYS NZ :NH3+ 168:sc= 2.28 (180deg=2.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.022 25.980 -8.873 1.00 0.00 N ATOM 2 CA MET A 1 -2.572 24.603 -8.741 1.00 0.00 C ATOM 3 C MET A 1 -1.630 23.730 -7.905 1.00 0.00 C ATOM 4 O MET A 1 -0.421 23.959 -7.888 1.00 0.00 O ATOM 5 CB MET A 1 -2.851 23.936 -10.107 1.00 0.00 C ATOM 6 CG MET A 1 -4.036 24.551 -10.870 1.00 0.00 C ATOM 7 SD MET A 1 -3.801 26.210 -11.577 1.00 0.00 S ATOM 8 CE MET A 1 -2.706 25.829 -12.975 1.00 0.00 C ATOM 0 H1 MET A 1 -2.371 26.410 -9.753 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.327 26.555 -8.062 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.983 25.938 -8.896 1.00 0.00 H new ATOM 0 HA MET A 1 -3.531 24.694 -8.231 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.956 24.009 -10.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.044 22.875 -9.949 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.303 23.873 -11.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.889 24.590 -10.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.483 26.745 -13.523 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.779 25.394 -12.603 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.198 25.119 -13.640 1.00 0.00 H new ATOM 20 N ASN A 2 -2.167 22.715 -7.216 1.00 0.00 N ATOM 21 CA ASN A 2 -1.401 21.839 -6.308 1.00 0.00 C ATOM 22 C ASN A 2 -0.628 20.709 -7.026 1.00 0.00 C ATOM 23 O ASN A 2 0.289 20.134 -6.435 1.00 0.00 O ATOM 24 CB ASN A 2 -2.367 21.262 -5.255 1.00 0.00 C ATOM 25 CG ASN A 2 -3.067 22.329 -4.429 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.252 22.588 -4.581 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.355 23.013 -3.560 1.00 0.00 N ATOM 0 H ASN A 2 -3.156 22.473 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 2 -0.631 22.449 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.117 20.651 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.813 20.602 -4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.792 23.757 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.366 22.800 -3.430 1.00 0.00 H new ATOM 34 N CYS A 3 -0.973 20.402 -8.286 1.00 0.00 N ATOM 35 CA CYS A 3 -0.438 19.276 -9.072 1.00 0.00 C ATOM 36 C CYS A 3 -0.641 17.901 -8.382 1.00 0.00 C ATOM 37 O CYS A 3 -1.412 17.773 -7.424 1.00 0.00 O ATOM 38 CB CYS A 3 1.024 19.604 -9.441 1.00 0.00 C ATOM 39 SG CYS A 3 1.557 18.689 -10.921 1.00 0.00 S ATOM 0 H CYS A 3 -1.658 20.951 -8.806 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.005 19.163 -9.996 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.125 20.675 -9.618 1.00 0.00 H new ATOM 0 HB3 CYS A 3 1.676 19.356 -8.604 1.00 0.00 H new ATOM 0 HG CYS A 3 2.148 17.589 -10.561 1.00 0.00 H new ATOM 45 N MET A 4 0.025 16.851 -8.871 1.00 0.00 N ATOM 46 CA MET A 4 0.042 15.522 -8.247 1.00 0.00 C ATOM 47 C MET A 4 0.997 15.489 -7.048 1.00 0.00 C ATOM 48 O MET A 4 2.169 15.131 -7.148 1.00 0.00 O ATOM 49 CB MET A 4 0.371 14.442 -9.279 1.00 0.00 C ATOM 50 CG MET A 4 -0.882 14.088 -10.088 1.00 0.00 C ATOM 51 SD MET A 4 -0.689 12.706 -11.249 1.00 0.00 S ATOM 52 CE MET A 4 0.410 13.457 -12.482 1.00 0.00 C ATOM 0 H MET A 4 0.578 16.900 -9.727 1.00 0.00 H new ATOM 0 HA MET A 4 -0.956 15.308 -7.864 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.157 14.794 -9.947 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.753 13.553 -8.777 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.687 13.848 -9.394 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.195 14.970 -10.647 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.050 13.391 -13.468 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.579 14.504 -12.229 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.363 12.928 -12.491 1.00 0.00 H new ATOM 62 N THR A 5 0.453 15.869 -5.898 1.00 0.00 N ATOM 63 CA THR A 5 1.135 15.967 -4.601 1.00 0.00 C ATOM 64 C THR A 5 0.493 15.051 -3.564 1.00 0.00 C ATOM 65 O THR A 5 -0.699 14.742 -3.638 1.00 0.00 O ATOM 66 CB THR A 5 1.170 17.422 -4.108 1.00 0.00 C ATOM 67 OG1 THR A 5 1.976 17.505 -2.957 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.212 17.985 -3.750 1.00 0.00 C ATOM 0 H THR A 5 -0.530 16.133 -5.836 1.00 0.00 H new ATOM 0 HA THR A 5 2.163 15.634 -4.741 1.00 0.00 H new ATOM 0 HB THR A 5 1.567 18.012 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.001 18.433 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.108 19.015 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.856 17.956 -4.629 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.655 17.384 -2.956 1.00 0.00 H new ATOM 76 N CYS A 6 1.282 14.618 -2.585 1.00 0.00 N ATOM 77 CA CYS A 6 0.841 13.772 -1.491 1.00 0.00 C ATOM 78 C CYS A 6 -0.210 14.452 -0.602 1.00 0.00 C ATOM 79 O CYS A 6 0.073 15.472 0.022 1.00 0.00 O ATOM 80 CB CYS A 6 2.066 13.314 -0.691 1.00 0.00 C ATOM 81 SG CYS A 6 1.523 12.146 0.579 1.00 0.00 S ATOM 0 H CYS A 6 2.273 14.855 -2.533 1.00 0.00 H new ATOM 0 HA CYS A 6 0.339 12.899 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.794 12.843 -1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.559 14.170 -0.231 1.00 0.00 H new ATOM 0 HG CYS A 6 2.561 11.586 1.125 1.00 0.00 H new ATOM 87 N GLN A 7 -1.396 13.860 -0.454 1.00 0.00 N ATOM 88 CA GLN A 7 -2.428 14.399 0.447 1.00 0.00 C ATOM 89 C GLN A 7 -2.150 14.111 1.944 1.00 0.00 C ATOM 90 O GLN A 7 -2.701 14.794 2.810 1.00 0.00 O ATOM 91 CB GLN A 7 -3.797 13.914 -0.062 1.00 0.00 C ATOM 92 CG GLN A 7 -5.022 14.407 0.730 1.00 0.00 C ATOM 93 CD GLN A 7 -5.190 15.927 0.715 1.00 0.00 C ATOM 94 OE1 GLN A 7 -5.865 16.500 -0.130 1.00 0.00 O ATOM 95 NE2 GLN A 7 -4.583 16.640 1.641 1.00 0.00 N ATOM 0 H GLN A 7 -1.670 13.008 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.417 15.489 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -3.909 14.228 -1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -3.800 12.824 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.920 13.947 0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.936 14.070 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.017 16.177 2.352 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.679 17.655 1.647 1.00 0.00 H new ATOM 104 N VAL A 8 -1.265 13.157 2.267 1.00 0.00 N ATOM 105 CA VAL A 8 -0.878 12.794 3.654 1.00 0.00 C ATOM 106 C VAL A 8 0.358 13.568 4.156 1.00 0.00 C ATOM 107 O VAL A 8 0.503 13.780 5.360 1.00 0.00 O ATOM 108 CB VAL A 8 -0.678 11.263 3.761 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.217 10.775 5.140 1.00 0.00 C ATOM 110 CG2 VAL A 8 -1.995 10.535 3.451 1.00 0.00 C ATOM 0 H VAL A 8 -0.783 12.599 1.562 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.695 13.090 4.312 1.00 0.00 H new ATOM 0 HB VAL A 8 0.108 11.037 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.103 9.691 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.739 11.237 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.959 11.050 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.843 9.459 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.759 10.846 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.319 10.783 2.440 1.00 0.00 H new ATOM 120 N THR A 9 1.240 14.012 3.250 1.00 0.00 N ATOM 121 CA THR A 9 2.560 14.606 3.586 1.00 0.00 C ATOM 122 C THR A 9 2.866 15.913 2.851 1.00 0.00 C ATOM 123 O THR A 9 3.541 16.789 3.396 1.00 0.00 O ATOM 124 CB THR A 9 3.713 13.622 3.323 1.00 0.00 C ATOM 125 OG1 THR A 9 3.959 13.479 1.940 1.00 0.00 O ATOM 126 CG2 THR A 9 3.427 12.225 3.868 1.00 0.00 C ATOM 0 H THR A 9 1.063 13.972 2.246 1.00 0.00 H new ATOM 0 HA THR A 9 2.486 14.831 4.650 1.00 0.00 H new ATOM 0 HB THR A 9 4.576 14.048 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.151 13.144 1.497 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.273 11.571 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.273 12.279 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.531 11.825 3.393 1.00 0.00 H new ATOM 134 N GLY A 10 2.358 16.055 1.624 1.00 0.00 N ATOM 135 CA GLY A 10 2.574 17.230 0.762 1.00 0.00 C ATOM 136 C GLY A 10 3.780 17.118 -0.182 1.00 0.00 C ATOM 137 O GLY A 10 4.139 18.095 -0.840 1.00 0.00 O ATOM 0 H GLY A 10 1.772 15.343 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.677 17.396 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.704 18.109 1.394 1.00 0.00 H new ATOM 141 N GLU A 11 4.421 15.947 -0.251 1.00 0.00 N ATOM 142 CA GLU A 11 5.510 15.657 -1.191 1.00 0.00 C ATOM 143 C GLU A 11 5.017 15.336 -2.609 1.00 0.00 C ATOM 144 O GLU A 11 4.019 14.647 -2.806 1.00 0.00 O ATOM 145 CB GLU A 11 6.374 14.514 -0.645 1.00 0.00 C ATOM 146 CG GLU A 11 7.331 15.001 0.444 1.00 0.00 C ATOM 147 CD GLU A 11 8.461 15.888 -0.117 1.00 0.00 C ATOM 148 OE1 GLU A 11 9.402 15.353 -0.751 1.00 0.00 O ATOM 149 OE2 GLU A 11 8.413 17.128 0.063 1.00 0.00 O ATOM 0 H GLU A 11 4.194 15.159 0.356 1.00 0.00 H new ATOM 0 HA GLU A 11 6.109 16.564 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.731 13.732 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.945 14.068 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.770 15.562 1.192 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.767 14.141 0.952 1.00 0.00 H new ATOM 156 N VAL A 12 5.755 15.810 -3.608 1.00 0.00 N ATOM 157 CA VAL A 12 5.401 15.751 -5.040 1.00 0.00 C ATOM 158 C VAL A 12 6.496 15.089 -5.883 1.00 0.00 C ATOM 159 O VAL A 12 7.638 15.553 -5.913 1.00 0.00 O ATOM 160 CB VAL A 12 4.989 17.146 -5.576 1.00 0.00 C ATOM 161 CG1 VAL A 12 5.907 18.295 -5.130 1.00 0.00 C ATOM 162 CG2 VAL A 12 4.895 17.202 -7.106 1.00 0.00 C ATOM 0 H VAL A 12 6.653 16.265 -3.446 1.00 0.00 H new ATOM 0 HA VAL A 12 4.527 15.106 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 12 4.004 17.288 -5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.546 19.234 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.906 18.360 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.922 18.107 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.603 18.205 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.865 16.956 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.151 16.484 -7.451 1.00 0.00 H new ATOM 172 N SER A 13 6.131 14.024 -6.604 1.00 0.00 N ATOM 173 CA SER A 13 6.959 13.367 -7.627 1.00 0.00 C ATOM 174 C SER A 13 6.254 13.232 -8.987 1.00 0.00 C ATOM 175 O SER A 13 5.023 13.190 -9.085 1.00 0.00 O ATOM 176 CB SER A 13 7.366 11.987 -7.126 1.00 0.00 C ATOM 177 OG SER A 13 6.198 11.203 -6.968 1.00 0.00 O ATOM 0 H SER A 13 5.221 13.579 -6.489 1.00 0.00 H new ATOM 0 HA SER A 13 7.832 14.000 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.047 11.513 -7.833 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.897 12.070 -6.178 1.00 0.00 H new ATOM 0 HG SER A 13 5.941 11.186 -6.022 1.00 0.00 H new ATOM 183 N ASP A 14 7.040 13.083 -10.057 1.00 0.00 N ATOM 184 CA ASP A 14 6.548 12.727 -11.396 1.00 0.00 C ATOM 185 C ASP A 14 6.178 11.229 -11.506 1.00 0.00 C ATOM 186 O ASP A 14 5.467 10.835 -12.433 1.00 0.00 O ATOM 187 CB ASP A 14 7.573 13.127 -12.475 1.00 0.00 C ATOM 188 CG ASP A 14 8.993 12.573 -12.259 1.00 0.00 C ATOM 189 OD1 ASP A 14 9.603 12.812 -11.191 1.00 0.00 O ATOM 190 OD2 ASP A 14 9.521 11.896 -13.172 1.00 0.00 O ATOM 0 H ASP A 14 8.052 13.208 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 14 5.630 13.290 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.210 12.786 -13.444 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.626 14.215 -12.519 1.00 0.00 H new ATOM 195 N ASP A 15 6.608 10.396 -10.549 1.00 0.00 N ATOM 196 CA ASP A 15 6.248 8.978 -10.427 1.00 0.00 C ATOM 197 C ASP A 15 4.931 8.736 -9.663 1.00 0.00 C ATOM 198 O ASP A 15 4.288 7.710 -9.882 1.00 0.00 O ATOM 199 CB ASP A 15 7.390 8.228 -9.724 1.00 0.00 C ATOM 200 CG ASP A 15 8.774 8.633 -10.241 1.00 0.00 C ATOM 201 OD1 ASP A 15 9.167 8.207 -11.351 1.00 0.00 O ATOM 202 OD2 ASP A 15 9.461 9.435 -9.570 1.00 0.00 O ATOM 0 H ASP A 15 7.241 10.704 -9.810 1.00 0.00 H new ATOM 0 HA ASP A 15 6.092 8.605 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.338 8.419 -8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.255 7.156 -9.864 1.00 0.00 H new ATOM 207 N ASN A 16 4.557 9.676 -8.780 1.00 0.00 N ATOM 208 CA ASN A 16 3.339 9.770 -7.959 1.00 0.00 C ATOM 209 C ASN A 16 2.718 8.427 -7.522 1.00 0.00 C ATOM 210 O ASN A 16 1.933 7.816 -8.253 1.00 0.00 O ATOM 211 CB ASN A 16 2.325 10.749 -8.597 1.00 0.00 C ATOM 212 CG ASN A 16 2.318 10.772 -10.115 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.682 9.964 -10.779 1.00 0.00 O ATOM 214 ND2 ASN A 16 3.024 11.710 -10.706 1.00 0.00 N ATOM 0 H ASN A 16 5.167 10.475 -8.605 1.00 0.00 H new ATOM 0 HA ASN A 16 3.659 10.189 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.325 10.490 -8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.538 11.755 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.044 11.768 -11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.552 12.380 -10.146 1.00 0.00 H new ATOM 221 N LEU A 17 3.009 8.003 -6.287 1.00 0.00 N ATOM 222 CA LEU A 17 2.428 6.821 -5.644 1.00 0.00 C ATOM 223 C LEU A 17 0.931 7.046 -5.386 1.00 0.00 C ATOM 224 O LEU A 17 0.478 8.186 -5.309 1.00 0.00 O ATOM 225 CB LEU A 17 3.207 6.497 -4.339 1.00 0.00 C ATOM 226 CG LEU A 17 4.736 6.429 -4.494 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.437 6.026 -3.200 1.00 0.00 C ATOM 228 CD2 LEU A 17 5.111 5.474 -5.625 1.00 0.00 C ATOM 0 H LEU A 17 3.677 8.489 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 17 2.517 5.958 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.966 7.254 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.854 5.542 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 17 5.079 7.434 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.514 5.993 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.211 6.755 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.087 5.042 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.196 5.435 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.731 4.477 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.674 5.827 -6.559 1.00 0.00 H new ATOM 240 N LYS A 18 0.128 5.980 -5.318 1.00 0.00 N ATOM 241 CA LYS A 18 -1.346 6.101 -5.276 1.00 0.00 C ATOM 242 C LYS A 18 -2.042 5.160 -4.282 1.00 0.00 C ATOM 243 O LYS A 18 -1.559 4.065 -3.996 1.00 0.00 O ATOM 244 CB LYS A 18 -1.942 5.999 -6.694 1.00 0.00 C ATOM 245 CG LYS A 18 -1.281 6.942 -7.707 1.00 0.00 C ATOM 246 CD LYS A 18 -1.953 6.933 -9.084 1.00 0.00 C ATOM 247 CE LYS A 18 -1.305 7.987 -9.994 1.00 0.00 C ATOM 248 NZ LYS A 18 0.094 7.653 -10.368 1.00 0.00 N ATOM 0 H LYS A 18 0.468 5.019 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.551 7.097 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.843 4.973 -7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.009 6.219 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.298 7.957 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.234 6.662 -7.821 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.861 5.945 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.018 7.138 -8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.902 8.092 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.319 8.953 -9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.544 8.482 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.625 7.380 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.093 6.862 -11.044 1.00 0.00 H new ATOM 262 N LEU A 19 -3.185 5.616 -3.760 1.00 0.00 N ATOM 263 CA LEU A 19 -3.942 4.997 -2.662 1.00 0.00 C ATOM 264 C LEU A 19 -4.653 3.692 -3.062 1.00 0.00 C ATOM 265 O LEU A 19 -4.945 3.451 -4.234 1.00 0.00 O ATOM 266 CB LEU A 19 -4.855 6.085 -2.049 1.00 0.00 C ATOM 267 CG LEU A 19 -5.400 5.814 -0.625 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.439 7.106 0.190 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.834 5.284 -0.667 1.00 0.00 C ATOM 0 H LEU A 19 -3.630 6.466 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.260 4.646 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.300 7.023 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.704 6.232 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.733 5.079 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.825 6.895 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.432 7.517 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.088 7.829 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.185 5.104 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.479 6.018 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.861 4.351 -1.230 1.00 0.00 H new ATOM 281 N ALA A 20 -4.918 2.837 -2.077 1.00 0.00 N ATOM 282 CA ALA A 20 -5.342 1.447 -2.286 1.00 0.00 C ATOM 283 C ALA A 20 -6.846 1.291 -2.602 1.00 0.00 C ATOM 284 O ALA A 20 -7.668 2.075 -2.129 1.00 0.00 O ATOM 285 CB ALA A 20 -4.914 0.597 -1.082 1.00 0.00 C ATOM 0 H ALA A 20 -4.844 3.091 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.838 1.085 -3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.228 -0.435 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.830 0.635 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.380 0.987 -0.177 1.00 0.00 H new ATOM 291 N GLY A 21 -7.209 0.271 -3.394 1.00 0.00 N ATOM 292 CA GLY A 21 -8.598 0.027 -3.837 1.00 0.00 C ATOM 293 C GLY A 21 -9.074 -1.423 -3.659 1.00 0.00 C ATOM 294 O GLY A 21 -10.252 -1.658 -3.388 1.00 0.00 O ATOM 0 H GLY A 21 -6.544 -0.416 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.265 0.687 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.684 0.299 -4.889 1.00 0.00 H new ATOM 298 N GLY A 22 -8.150 -2.385 -3.742 1.00 0.00 N ATOM 299 CA GLY A 22 -8.344 -3.788 -3.375 1.00 0.00 C ATOM 300 C GLY A 22 -8.530 -4.737 -4.561 1.00 0.00 C ATOM 301 O GLY A 22 -9.614 -5.292 -4.747 1.00 0.00 O ATOM 0 H GLY A 22 -7.207 -2.198 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.484 -4.120 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.217 -3.863 -2.726 1.00 0.00 H new ATOM 305 N LYS A 23 -7.469 -4.937 -5.361 1.00 0.00 N ATOM 306 CA LYS A 23 -7.510 -5.781 -6.579 1.00 0.00 C ATOM 307 C LYS A 23 -7.311 -7.287 -6.332 1.00 0.00 C ATOM 308 O LYS A 23 -7.832 -8.105 -7.092 1.00 0.00 O ATOM 309 CB LYS A 23 -6.514 -5.260 -7.634 1.00 0.00 C ATOM 310 CG LYS A 23 -6.736 -3.780 -7.995 1.00 0.00 C ATOM 311 CD LYS A 23 -6.080 -3.372 -9.325 1.00 0.00 C ATOM 312 CE LYS A 23 -4.569 -3.641 -9.360 1.00 0.00 C ATOM 313 NZ LYS A 23 -3.955 -3.150 -10.620 1.00 0.00 N ATOM 0 H LYS A 23 -6.555 -4.520 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.528 -5.691 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.498 -5.388 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.600 -5.865 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.807 -3.584 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.339 -3.155 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.558 -3.915 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.258 -2.311 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.093 -3.155 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.387 -4.711 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.934 -3.348 -10.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.393 -3.633 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.107 -2.125 -10.704 1.00 0.00 H new ATOM 327 N LEU A 24 -6.574 -7.653 -5.280 1.00 0.00 N ATOM 328 CA LEU A 24 -6.297 -9.029 -4.829 1.00 0.00 C ATOM 329 C LEU A 24 -5.974 -9.026 -3.331 1.00 0.00 C ATOM 330 O LEU A 24 -5.563 -7.996 -2.799 1.00 0.00 O ATOM 331 CB LEU A 24 -5.108 -9.621 -5.621 1.00 0.00 C ATOM 332 CG LEU A 24 -5.184 -11.119 -5.984 1.00 0.00 C ATOM 333 CD1 LEU A 24 -5.290 -12.124 -4.839 1.00 0.00 C ATOM 334 CD2 LEU A 24 -6.323 -11.406 -6.966 1.00 0.00 C ATOM 0 H LEU A 24 -6.126 -6.959 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.179 -9.644 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.001 -9.054 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.200 -9.459 -5.040 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.201 -11.280 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.335 -13.135 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.418 -12.031 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.193 -11.924 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.344 -12.471 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.272 -11.113 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.164 -10.839 -7.883 1.00 0.00 H new ATOM 346 N VAL A 25 -6.121 -10.168 -2.662 1.00 0.00 N ATOM 347 CA VAL A 25 -5.869 -10.338 -1.227 1.00 0.00 C ATOM 348 C VAL A 25 -4.411 -10.690 -0.917 1.00 0.00 C ATOM 349 O VAL A 25 -3.812 -11.615 -1.470 1.00 0.00 O ATOM 350 CB VAL A 25 -6.817 -11.381 -0.605 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.501 -11.588 0.879 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.268 -10.901 -0.716 1.00 0.00 C ATOM 0 H VAL A 25 -6.428 -11.029 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.071 -9.369 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.680 -12.318 -1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.183 -12.329 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.475 -11.939 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.620 -10.644 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.932 -11.644 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.380 -9.954 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.526 -10.763 -1.766 1.00 0.00 H new ATOM 362 N LEU A 26 -3.871 -9.916 0.015 1.00 0.00 N ATOM 363 CA LEU A 26 -2.577 -10.022 0.682 1.00 0.00 C ATOM 364 C LEU A 26 -2.724 -10.019 2.222 1.00 0.00 C ATOM 365 O LEU A 26 -3.748 -9.613 2.765 1.00 0.00 O ATOM 366 CB LEU A 26 -1.632 -8.927 0.158 1.00 0.00 C ATOM 367 CG LEU A 26 -1.044 -9.249 -1.236 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.947 -8.844 -2.407 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.262 -8.497 -1.438 1.00 0.00 C ATOM 0 H LEU A 26 -4.387 -9.107 0.362 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.127 -10.985 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.173 -7.982 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.816 -8.790 0.867 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.921 -10.332 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.462 -9.104 -3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.898 -9.371 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.124 -7.769 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.668 -8.731 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.079 -7.425 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.976 -8.796 -0.671 1.00 0.00 H new ATOM 381 N SER A 27 -1.725 -10.496 2.967 1.00 0.00 N ATOM 382 CA SER A 27 -1.663 -10.389 4.433 1.00 0.00 C ATOM 383 C SER A 27 -0.919 -9.118 4.865 1.00 0.00 C ATOM 384 O SER A 27 -0.560 -8.290 4.026 1.00 0.00 O ATOM 385 CB SER A 27 -0.930 -11.620 4.972 1.00 0.00 C ATOM 386 OG SER A 27 0.430 -11.556 4.559 1.00 0.00 O ATOM 0 H SER A 27 -0.920 -10.977 2.565 1.00 0.00 H new ATOM 0 HA SER A 27 -2.676 -10.335 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.994 -11.652 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.396 -12.532 4.598 1.00 0.00 H new ATOM 0 HG SER A 27 0.992 -12.027 5.209 1.00 0.00 H new ATOM 392 N LYS A 28 -0.590 -9.007 6.161 1.00 0.00 N ATOM 393 CA LYS A 28 0.361 -8.029 6.724 1.00 0.00 C ATOM 394 C LYS A 28 1.659 -7.958 5.905 1.00 0.00 C ATOM 395 O LYS A 28 2.098 -6.874 5.494 1.00 0.00 O ATOM 396 CB LYS A 28 0.630 -8.474 8.180 1.00 0.00 C ATOM 397 CG LYS A 28 1.610 -7.583 8.958 1.00 0.00 C ATOM 398 CD LYS A 28 1.977 -8.145 10.341 1.00 0.00 C ATOM 399 CE LYS A 28 0.773 -8.276 11.285 1.00 0.00 C ATOM 400 NZ LYS A 28 1.184 -8.805 12.614 1.00 0.00 N ATOM 0 H LYS A 28 -0.992 -9.616 6.873 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.056 -7.022 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.318 -8.502 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.019 -9.492 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.520 -7.458 8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.171 -6.593 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.440 -9.124 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.722 -7.497 10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.298 -7.303 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.030 -8.939 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.350 -8.882 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.615 -9.744 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.875 -8.159 13.046 1.00 0.00 H new ATOM 414 N GLU A 29 2.245 -9.124 5.633 1.00 0.00 N ATOM 415 CA GLU A 29 3.554 -9.208 4.983 1.00 0.00 C ATOM 416 C GLU A 29 3.437 -9.038 3.463 1.00 0.00 C ATOM 417 O GLU A 29 4.282 -8.393 2.834 1.00 0.00 O ATOM 418 CB GLU A 29 4.288 -10.499 5.364 1.00 0.00 C ATOM 419 CG GLU A 29 4.672 -10.522 6.854 1.00 0.00 C ATOM 420 CD GLU A 29 5.546 -11.732 7.260 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.084 -12.461 6.389 1.00 0.00 O ATOM 422 OE2 GLU A 29 5.757 -11.928 8.483 1.00 0.00 O ATOM 0 H GLU A 29 1.831 -10.029 5.854 1.00 0.00 H new ATOM 0 HA GLU A 29 4.159 -8.379 5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.654 -11.357 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.187 -10.599 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.207 -9.603 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.762 -10.527 7.453 1.00 0.00 H new ATOM 429 N GLY A 30 2.338 -9.515 2.866 1.00 0.00 N ATOM 430 CA GLY A 30 2.041 -9.224 1.476 1.00 0.00 C ATOM 431 C GLY A 30 1.861 -7.718 1.249 1.00 0.00 C ATOM 432 O GLY A 30 2.512 -7.153 0.369 1.00 0.00 O ATOM 0 H GLY A 30 1.646 -10.103 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.848 -9.596 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.134 -9.750 1.178 1.00 0.00 H new ATOM 436 N ALA A 31 1.055 -7.037 2.075 1.00 0.00 N ATOM 437 CA ALA A 31 0.827 -5.600 1.941 1.00 0.00 C ATOM 438 C ALA A 31 2.140 -4.824 2.096 1.00 0.00 C ATOM 439 O ALA A 31 2.430 -3.929 1.289 1.00 0.00 O ATOM 440 CB ALA A 31 -0.213 -5.111 2.964 1.00 0.00 C ATOM 0 H ALA A 31 0.548 -7.467 2.848 1.00 0.00 H new ATOM 0 HA ALA A 31 0.435 -5.414 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.365 -4.038 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.157 -5.632 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.145 -5.316 3.973 1.00 0.00 H new ATOM 446 N GLU A 32 2.971 -5.182 3.091 1.00 0.00 N ATOM 447 CA GLU A 32 4.247 -4.463 3.221 1.00 0.00 C ATOM 448 C GLU A 32 5.178 -4.725 2.018 1.00 0.00 C ATOM 449 O GLU A 32 5.929 -3.836 1.611 1.00 0.00 O ATOM 450 CB GLU A 32 4.945 -4.667 4.563 1.00 0.00 C ATOM 451 CG GLU A 32 5.742 -5.961 4.685 1.00 0.00 C ATOM 452 CD GLU A 32 6.474 -6.054 6.040 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.805 -6.109 7.101 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.728 -6.073 6.051 1.00 0.00 O ATOM 0 H GLU A 32 2.798 -5.917 3.776 1.00 0.00 H new ATOM 0 HA GLU A 32 3.990 -3.404 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.617 -3.826 4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.194 -4.644 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.072 -6.813 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.468 -6.019 3.874 1.00 0.00 H new ATOM 461 N GLN A 33 5.108 -5.916 1.397 1.00 0.00 N ATOM 462 CA GLN A 33 5.858 -6.183 0.165 1.00 0.00 C ATOM 463 C GLN A 33 5.351 -5.355 -1.029 1.00 0.00 C ATOM 464 O GLN A 33 6.163 -4.865 -1.818 1.00 0.00 O ATOM 465 CB GLN A 33 5.910 -7.690 -0.138 1.00 0.00 C ATOM 466 CG GLN A 33 7.100 -8.007 -1.063 1.00 0.00 C ATOM 467 CD GLN A 33 7.254 -9.494 -1.374 1.00 0.00 C ATOM 468 OE1 GLN A 33 7.194 -9.926 -2.518 1.00 0.00 O ATOM 469 NE2 GLN A 33 7.492 -10.334 -0.388 1.00 0.00 N ATOM 0 H GLN A 33 4.544 -6.700 1.727 1.00 0.00 H new ATOM 0 HA GLN A 33 6.883 -5.853 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.003 -8.252 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.979 -8.006 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.979 -7.460 -1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.017 -7.645 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.545 -9.992 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.623 -11.326 -0.584 1.00 0.00 H new ATOM 478 N ILE A 34 4.042 -5.084 -1.117 1.00 0.00 N ATOM 479 CA ILE A 34 3.544 -4.090 -2.092 1.00 0.00 C ATOM 480 C ILE A 34 4.167 -2.731 -1.793 1.00 0.00 C ATOM 481 O ILE A 34 4.632 -2.072 -2.714 1.00 0.00 O ATOM 482 CB ILE A 34 2.017 -3.931 -2.150 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.346 -5.282 -2.425 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.693 -2.936 -3.292 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.173 -5.207 -2.240 1.00 0.00 C ATOM 0 H ILE A 34 3.321 -5.523 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 34 3.841 -4.475 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 34 1.641 -3.560 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.574 -5.601 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.758 -6.036 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.614 -2.800 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.167 -1.977 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.070 -3.330 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.613 -6.183 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.401 -4.913 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.588 -4.471 -2.929 1.00 0.00 H new ATOM 497 N ILE A 35 4.227 -2.296 -0.534 1.00 0.00 N ATOM 498 CA ILE A 35 4.875 -1.009 -0.220 1.00 0.00 C ATOM 499 C ILE A 35 6.367 -0.974 -0.529 1.00 0.00 C ATOM 500 O ILE A 35 6.894 0.083 -0.876 1.00 0.00 O ATOM 501 CB ILE A 35 4.512 -0.527 1.188 1.00 0.00 C ATOM 502 CG1 ILE A 35 3.710 0.785 1.071 1.00 0.00 C ATOM 503 CG2 ILE A 35 5.682 -0.379 2.180 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.535 1.976 0.588 1.00 0.00 C ATOM 0 H ILE A 35 3.848 -2.796 0.270 1.00 0.00 H new ATOM 0 HA ILE A 35 4.460 -0.275 -0.911 1.00 0.00 H new ATOM 0 HB ILE A 35 3.913 -1.323 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.878 0.630 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.280 1.024 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.302 -0.032 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.173 -1.343 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.399 0.344 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.900 2.860 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.352 2.160 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.943 1.760 -0.399 1.00 0.00 H new ATOM 516 N SER A 36 7.034 -2.122 -0.475 1.00 0.00 N ATOM 517 CA SER A 36 8.382 -2.253 -1.018 1.00 0.00 C ATOM 518 C SER A 36 8.379 -1.987 -2.531 1.00 0.00 C ATOM 519 O SER A 36 9.161 -1.162 -2.999 1.00 0.00 O ATOM 520 CB SER A 36 8.983 -3.621 -0.676 1.00 0.00 C ATOM 521 OG SER A 36 10.381 -3.610 -0.908 1.00 0.00 O ATOM 0 H SER A 36 6.663 -2.977 -0.060 1.00 0.00 H new ATOM 0 HA SER A 36 9.019 -1.501 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.781 -3.865 0.367 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.512 -4.396 -1.281 1.00 0.00 H new ATOM 0 HG SER A 36 10.756 -4.487 -0.685 1.00 0.00 H new ATOM 527 N GLU A 37 7.436 -2.564 -3.292 1.00 0.00 N ATOM 528 CA GLU A 37 7.297 -2.290 -4.737 1.00 0.00 C ATOM 529 C GLU A 37 6.908 -0.827 -5.033 1.00 0.00 C ATOM 530 O GLU A 37 7.473 -0.196 -5.926 1.00 0.00 O ATOM 531 CB GLU A 37 6.263 -3.235 -5.385 1.00 0.00 C ATOM 532 CG GLU A 37 6.620 -4.727 -5.339 1.00 0.00 C ATOM 533 CD GLU A 37 7.805 -5.062 -6.267 1.00 0.00 C ATOM 534 OE1 GLU A 37 7.578 -5.328 -7.473 1.00 0.00 O ATOM 535 OE2 GLU A 37 8.969 -5.064 -5.802 1.00 0.00 O ATOM 0 H GLU A 37 6.752 -3.229 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 37 8.280 -2.469 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.303 -3.092 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.130 -2.942 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.868 -5.010 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.752 -5.318 -5.631 1.00 0.00 H new ATOM 542 N ILE A 38 5.960 -0.249 -4.292 1.00 0.00 N ATOM 543 CA ILE A 38 5.504 1.138 -4.466 1.00 0.00 C ATOM 544 C ILE A 38 6.654 2.131 -4.208 1.00 0.00 C ATOM 545 O ILE A 38 7.058 2.898 -5.092 1.00 0.00 O ATOM 546 CB ILE A 38 4.257 1.339 -3.569 1.00 0.00 C ATOM 547 CG1 ILE A 38 3.024 0.680 -4.231 1.00 0.00 C ATOM 548 CG2 ILE A 38 3.982 2.798 -3.248 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.746 0.695 -3.372 1.00 0.00 C ATOM 0 H ILE A 38 5.477 -0.739 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 38 5.205 1.339 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 38 4.465 0.854 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.818 1.190 -5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.269 -0.354 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.096 2.871 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.838 3.223 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.814 3.349 -4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.935 0.212 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.927 0.158 -2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.470 1.726 -3.149 1.00 0.00 H new ATOM 561 N GLN A 39 7.270 2.061 -3.028 1.00 0.00 N ATOM 562 CA GLN A 39 8.401 2.928 -2.703 1.00 0.00 C ATOM 563 C GLN A 39 9.582 2.703 -3.657 1.00 0.00 C ATOM 564 O GLN A 39 10.255 3.663 -4.023 1.00 0.00 O ATOM 565 CB GLN A 39 8.849 2.682 -1.268 1.00 0.00 C ATOM 566 CG GLN A 39 7.904 3.256 -0.200 1.00 0.00 C ATOM 567 CD GLN A 39 8.504 3.036 1.187 1.00 0.00 C ATOM 568 OE1 GLN A 39 8.959 3.946 1.864 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.571 1.805 1.645 1.00 0.00 N ATOM 0 H GLN A 39 7.006 1.415 -2.284 1.00 0.00 H new ATOM 0 HA GLN A 39 8.069 3.960 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.946 1.608 -1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.839 3.116 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.746 4.320 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.929 2.774 -0.266 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.196 1.034 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.998 1.621 2.553 1.00 0.00 H new ATOM 578 N ASN A 40 9.793 1.473 -4.135 1.00 0.00 N ATOM 579 CA ASN A 40 10.785 1.180 -5.179 1.00 0.00 C ATOM 580 C ASN A 40 10.485 1.932 -6.494 1.00 0.00 C ATOM 581 O ASN A 40 11.411 2.479 -7.093 1.00 0.00 O ATOM 582 CB ASN A 40 10.877 -0.342 -5.376 1.00 0.00 C ATOM 583 CG ASN A 40 11.804 -0.755 -6.506 1.00 0.00 C ATOM 584 OD1 ASN A 40 13.005 -0.901 -6.336 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.279 -0.971 -7.692 1.00 0.00 N ATOM 0 H ASN A 40 9.282 0.652 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 40 11.759 1.545 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.222 -0.800 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.880 -0.735 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.874 -1.260 -8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.277 -0.850 -7.836 1.00 0.00 H new ATOM 592 N GLN A 41 9.218 2.039 -6.916 1.00 0.00 N ATOM 593 CA GLN A 41 8.819 2.828 -8.084 1.00 0.00 C ATOM 594 C GLN A 41 9.032 4.335 -7.881 1.00 0.00 C ATOM 595 O GLN A 41 9.421 5.022 -8.826 1.00 0.00 O ATOM 596 CB GLN A 41 7.359 2.514 -8.437 1.00 0.00 C ATOM 597 CG GLN A 41 7.225 1.063 -8.911 1.00 0.00 C ATOM 598 CD GLN A 41 5.773 0.623 -9.034 1.00 0.00 C ATOM 599 OE1 GLN A 41 5.109 0.807 -10.046 1.00 0.00 O ATOM 600 NE2 GLN A 41 5.229 0.031 -7.991 1.00 0.00 N ATOM 0 H GLN A 41 8.437 1.576 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 41 9.462 2.544 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.724 2.679 -7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.013 3.192 -9.217 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.718 0.952 -9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.743 0.406 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.781 -0.123 -7.147 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.256 -0.273 -8.027 1.00 0.00 H new ATOM 609 N LEU A 42 8.861 4.850 -6.654 1.00 0.00 N ATOM 610 CA LEU A 42 9.256 6.245 -6.345 1.00 0.00 C ATOM 611 C LEU A 42 10.788 6.455 -6.338 1.00 0.00 C ATOM 612 O LEU A 42 11.284 7.482 -6.802 1.00 0.00 O ATOM 613 CB LEU A 42 8.614 6.646 -5.004 1.00 0.00 C ATOM 614 CG LEU A 42 8.516 8.135 -4.599 1.00 0.00 C ATOM 615 CD1 LEU A 42 9.849 8.792 -4.242 1.00 0.00 C ATOM 616 CD2 LEU A 42 7.796 8.988 -5.620 1.00 0.00 C ATOM 0 H LEU A 42 8.460 4.338 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 42 8.890 6.894 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.601 6.243 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.166 6.133 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 42 7.920 8.095 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.680 9.834 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.299 8.267 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 42 10.520 8.744 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.763 10.021 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.326 8.942 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.780 8.617 -5.752 1.00 0.00 H new ATOM 628 N GLN A 43 11.543 5.485 -5.817 1.00 0.00 N ATOM 629 CA GLN A 43 12.923 5.686 -5.348 1.00 0.00 C ATOM 630 C GLN A 43 14.017 5.205 -6.319 1.00 0.00 C ATOM 631 O GLN A 43 15.041 5.875 -6.465 1.00 0.00 O ATOM 632 CB GLN A 43 13.044 5.001 -3.977 1.00 0.00 C ATOM 633 CG GLN A 43 14.405 5.190 -3.295 1.00 0.00 C ATOM 634 CD GLN A 43 14.420 4.524 -1.923 1.00 0.00 C ATOM 635 OE1 GLN A 43 14.334 5.179 -0.891 1.00 0.00 O ATOM 636 NE2 GLN A 43 14.499 3.213 -1.862 1.00 0.00 N ATOM 0 H GLN A 43 11.213 4.526 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 43 13.101 6.759 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.265 5.388 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.857 3.934 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.192 4.766 -3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.620 6.253 -3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.571 2.666 -2.720 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.489 2.743 -0.957 1.00 0.00 H new ATOM 645 N ASN A 44 13.836 4.041 -6.949 1.00 0.00 N ATOM 646 CA ASN A 44 14.918 3.268 -7.581 1.00 0.00 C ATOM 647 C ASN A 44 14.795 3.139 -9.116 1.00 0.00 C ATOM 648 O ASN A 44 15.596 2.434 -9.737 1.00 0.00 O ATOM 649 CB ASN A 44 15.000 1.901 -6.875 1.00 0.00 C ATOM 650 CG ASN A 44 15.377 2.011 -5.406 1.00 0.00 C ATOM 651 OD1 ASN A 44 14.553 1.935 -4.505 1.00 0.00 O ATOM 652 ND2 ASN A 44 16.638 2.238 -5.110 1.00 0.00 N ATOM 0 H ASN A 44 12.921 3.599 -7.038 1.00 0.00 H new ATOM 0 HA ASN A 44 15.852 3.815 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.038 1.396 -6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.733 1.278 -7.387 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.921 2.349 -4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.333 2.303 -5.854 1.00 0.00 H new ATOM 659 N LEU A 45 13.829 3.819 -9.743 1.00 0.00 N ATOM 660 CA LEU A 45 13.701 3.927 -11.205 1.00 0.00 C ATOM 661 C LEU A 45 14.468 5.147 -11.767 1.00 0.00 C ATOM 662 O LEU A 45 14.957 5.993 -11.011 1.00 0.00 O ATOM 663 CB LEU A 45 12.205 3.961 -11.588 1.00 0.00 C ATOM 664 CG LEU A 45 11.386 2.727 -11.161 1.00 0.00 C ATOM 665 CD1 LEU A 45 9.954 2.865 -11.683 1.00 0.00 C ATOM 666 CD2 LEU A 45 11.953 1.412 -11.704 1.00 0.00 C ATOM 0 H LEU A 45 13.098 4.321 -9.240 1.00 0.00 H new ATOM 0 HA LEU A 45 14.160 3.049 -11.660 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.753 4.848 -11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.126 4.072 -12.670 1.00 0.00 H new ATOM 0 HG LEU A 45 11.424 2.691 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.372 1.994 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.501 3.765 -11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.968 2.935 -12.771 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.332 0.582 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.961 1.442 -12.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.970 1.276 -11.337 1.00 0.00 H new ATOM 678 N LYS A 46 14.524 5.244 -13.106 1.00 0.00 N ATOM 679 CA LYS A 46 15.166 6.322 -13.892 1.00 0.00 C ATOM 680 C LYS A 46 16.681 6.441 -13.621 1.00 0.00 C ATOM 681 O LYS A 46 17.191 7.552 -13.347 1.00 0.00 O ATOM 682 CB LYS A 46 14.386 7.650 -13.729 1.00 0.00 C ATOM 683 CG LYS A 46 12.867 7.525 -13.967 1.00 0.00 C ATOM 684 CD LYS A 46 12.089 8.828 -13.723 1.00 0.00 C ATOM 685 CE LYS A 46 12.338 9.388 -12.315 1.00 0.00 C ATOM 686 NZ LYS A 46 11.170 10.134 -11.804 1.00 0.00 N ATOM 687 OXT LYS A 46 17.374 5.402 -13.733 1.00 0.00 O ATOM 0 H LYS A 46 14.101 4.536 -13.706 1.00 0.00 H new ATOM 0 HA LYS A 46 15.109 6.054 -14.947 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.554 8.036 -12.724 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.792 8.384 -14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.696 7.198 -14.992 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.470 6.748 -13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.381 9.570 -14.466 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.023 8.645 -13.858 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.572 8.569 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.208 10.044 -12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.346 10.423 -10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.014 10.979 -12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.327 9.526 -11.841 1.00 0.00 H new TER 701 LYS A 46 ATOM 702 N MET B 1 -8.523 -23.454 -4.036 1.00 0.00 N ATOM 703 CA MET B 1 -8.400 -22.748 -2.733 1.00 0.00 C ATOM 704 C MET B 1 -9.717 -22.055 -2.377 1.00 0.00 C ATOM 705 O MET B 1 -10.267 -21.324 -3.201 1.00 0.00 O ATOM 706 CB MET B 1 -7.212 -21.761 -2.746 1.00 0.00 C ATOM 707 CG MET B 1 -6.995 -21.014 -1.423 1.00 0.00 C ATOM 708 SD MET B 1 -6.913 -22.056 0.062 1.00 0.00 S ATOM 709 CE MET B 1 -6.193 -20.868 1.226 1.00 0.00 C ATOM 0 H1 MET B 1 -7.622 -23.920 -4.265 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.276 -24.169 -3.974 1.00 0.00 H new ATOM 0 H3 MET B 1 -8.757 -22.768 -4.782 1.00 0.00 H new ATOM 0 HA MET B 1 -8.192 -23.484 -1.956 1.00 0.00 H new ATOM 0 HB2 MET B 1 -6.303 -22.309 -2.993 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.370 -21.031 -3.540 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.069 -20.443 -1.496 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.804 -20.294 -1.296 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.234 -21.277 2.235 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.155 -20.676 0.954 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.756 -19.936 1.189 1.00 0.00 H new ATOM 721 N ASN B 2 -10.237 -22.290 -1.164 1.00 0.00 N ATOM 722 CA ASN B 2 -11.563 -21.815 -0.726 1.00 0.00 C ATOM 723 C ASN B 2 -11.523 -20.589 0.213 1.00 0.00 C ATOM 724 O ASN B 2 -12.567 -19.978 0.458 1.00 0.00 O ATOM 725 CB ASN B 2 -12.317 -22.993 -0.077 1.00 0.00 C ATOM 726 CG ASN B 2 -12.498 -24.178 -1.015 1.00 0.00 C ATOM 727 OD1 ASN B 2 -13.080 -24.072 -2.085 1.00 0.00 O ATOM 728 ND2 ASN B 2 -11.986 -25.338 -0.665 1.00 0.00 N ATOM 0 H ASN B 2 -9.744 -22.823 -0.447 1.00 0.00 H new ATOM 0 HA ASN B 2 -12.091 -21.461 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -11.774 -23.319 0.810 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -13.296 -22.650 0.257 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -12.076 -26.143 -1.285 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -11.499 -25.433 0.226 1.00 0.00 H new ATOM 735 N CYS B 3 -10.349 -20.220 0.741 1.00 0.00 N ATOM 736 CA CYS B 3 -10.163 -19.105 1.683 1.00 0.00 C ATOM 737 C CYS B 3 -9.376 -17.935 1.063 1.00 0.00 C ATOM 738 O CYS B 3 -8.553 -18.127 0.163 1.00 0.00 O ATOM 739 CB CYS B 3 -9.481 -19.624 2.961 1.00 0.00 C ATOM 740 SG CYS B 3 -10.546 -20.831 3.807 1.00 0.00 S ATOM 0 H CYS B 3 -9.477 -20.701 0.520 1.00 0.00 H new ATOM 0 HA CYS B 3 -11.146 -18.707 1.935 1.00 0.00 H new ATOM 0 HB2 CYS B 3 -8.527 -20.086 2.709 1.00 0.00 H new ATOM 0 HB3 CYS B 3 -9.265 -18.790 3.629 1.00 0.00 H new ATOM 0 HG CYS B 3 -9.950 -21.258 4.881 1.00 0.00 H new ATOM 746 N MET B 4 -9.590 -16.721 1.581 1.00 0.00 N ATOM 747 CA MET B 4 -8.854 -15.511 1.192 1.00 0.00 C ATOM 748 C MET B 4 -7.426 -15.526 1.755 1.00 0.00 C ATOM 749 O MET B 4 -7.185 -15.195 2.917 1.00 0.00 O ATOM 750 CB MET B 4 -9.637 -14.265 1.630 1.00 0.00 C ATOM 751 CG MET B 4 -10.612 -13.842 0.528 1.00 0.00 C ATOM 752 SD MET B 4 -11.651 -12.408 0.937 1.00 0.00 S ATOM 753 CE MET B 4 -12.794 -13.154 2.135 1.00 0.00 C ATOM 0 H MET B 4 -10.295 -16.547 2.298 1.00 0.00 H new ATOM 0 HA MET B 4 -8.758 -15.485 0.107 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.184 -14.474 2.549 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.947 -13.450 1.848 1.00 0.00 H new ATOM 0 HG2 MET B 4 -10.043 -13.615 -0.373 1.00 0.00 H new ATOM 0 HG3 MET B 4 -11.260 -14.686 0.292 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.554 -12.425 2.416 1.00 0.00 H new ATOM 0 HE2 MET B 4 -13.274 -14.024 1.687 1.00 0.00 H new ATOM 0 HE3 MET B 4 -12.241 -13.462 3.022 1.00 0.00 H new ATOM 763 N THR B 5 -6.483 -15.920 0.901 1.00 0.00 N ATOM 764 CA THR B 5 -5.051 -16.066 1.201 1.00 0.00 C ATOM 765 C THR B 5 -4.212 -15.015 0.496 1.00 0.00 C ATOM 766 O THR B 5 -4.533 -14.578 -0.611 1.00 0.00 O ATOM 767 CB THR B 5 -4.547 -17.482 0.866 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.173 -17.596 1.147 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.745 -17.893 -0.597 1.00 0.00 C ATOM 0 H THR B 5 -6.702 -16.159 -0.066 1.00 0.00 H new ATOM 0 HA THR B 5 -4.937 -15.911 2.274 1.00 0.00 H new ATOM 0 HB THR B 5 -5.150 -18.143 1.489 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.869 -18.502 0.930 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.363 -18.903 -0.746 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.807 -17.867 -0.842 1.00 0.00 H new ATOM 0 HG23 THR B 5 -4.206 -17.202 -1.245 1.00 0.00 H new ATOM 777 N CYS B 6 -3.113 -14.629 1.140 1.00 0.00 N ATOM 778 CA CYS B 6 -2.099 -13.781 0.526 1.00 0.00 C ATOM 779 C CYS B 6 -1.494 -14.414 -0.738 1.00 0.00 C ATOM 780 O CYS B 6 -0.832 -15.445 -0.664 1.00 0.00 O ATOM 781 CB CYS B 6 -1.017 -13.427 1.550 1.00 0.00 C ATOM 782 SG CYS B 6 0.156 -12.267 0.802 1.00 0.00 S ATOM 0 H CYS B 6 -2.902 -14.896 2.102 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.587 -12.861 0.203 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.470 -12.983 2.437 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.498 -14.329 1.875 1.00 0.00 H new ATOM 0 HG CYS B 6 0.893 -11.735 1.732 1.00 0.00 H new ATOM 788 N GLN B 7 -1.630 -13.766 -1.897 1.00 0.00 N ATOM 789 CA GLN B 7 -1.024 -14.258 -3.146 1.00 0.00 C ATOM 790 C GLN B 7 0.520 -14.126 -3.170 1.00 0.00 C ATOM 791 O GLN B 7 1.191 -14.819 -3.938 1.00 0.00 O ATOM 792 CB GLN B 7 -1.721 -13.551 -4.321 1.00 0.00 C ATOM 793 CG GLN B 7 -1.325 -14.112 -5.698 1.00 0.00 C ATOM 794 CD GLN B 7 -2.124 -13.475 -6.833 1.00 0.00 C ATOM 795 OE1 GLN B 7 -3.125 -14.000 -7.300 1.00 0.00 O ATOM 796 NE2 GLN B 7 -1.717 -12.319 -7.321 1.00 0.00 N ATOM 0 H GLN B 7 -2.155 -12.897 -2.001 1.00 0.00 H new ATOM 0 HA GLN B 7 -1.185 -15.333 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.801 -13.639 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.482 -12.488 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -0.261 -13.942 -5.865 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -1.481 -15.191 -5.707 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -0.884 -11.870 -6.941 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -2.236 -11.874 -8.078 1.00 0.00 H new ATOM 805 N VAL B 8 1.096 -13.273 -2.311 1.00 0.00 N ATOM 806 CA VAL B 8 2.541 -12.953 -2.259 1.00 0.00 C ATOM 807 C VAL B 8 3.303 -13.718 -1.159 1.00 0.00 C ATOM 808 O VAL B 8 4.508 -13.940 -1.287 1.00 0.00 O ATOM 809 CB VAL B 8 2.703 -11.423 -2.128 1.00 0.00 C ATOM 810 CG1 VAL B 8 4.148 -10.952 -1.957 1.00 0.00 C ATOM 811 CG2 VAL B 8 2.146 -10.722 -3.378 1.00 0.00 C ATOM 0 H VAL B 8 0.557 -12.767 -1.608 1.00 0.00 H new ATOM 0 HA VAL B 8 2.999 -13.292 -3.188 1.00 0.00 H new ATOM 0 HB VAL B 8 2.153 -11.162 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.169 -9.865 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.570 -11.394 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.736 -11.260 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.266 -9.644 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.689 -11.064 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.088 -10.961 -3.488 1.00 0.00 H new ATOM 821 N THR B 9 2.614 -14.159 -0.099 1.00 0.00 N ATOM 822 CA THR B 9 3.217 -14.843 1.073 1.00 0.00 C ATOM 823 C THR B 9 2.511 -16.150 1.439 1.00 0.00 C ATOM 824 O THR B 9 3.145 -17.083 1.936 1.00 0.00 O ATOM 825 CB THR B 9 3.247 -13.939 2.318 1.00 0.00 C ATOM 826 OG1 THR B 9 1.940 -13.760 2.814 1.00 0.00 O ATOM 827 CG2 THR B 9 3.835 -12.557 2.036 1.00 0.00 C ATOM 0 H THR B 9 1.602 -14.053 -0.022 1.00 0.00 H new ATOM 0 HA THR B 9 4.235 -15.076 0.762 1.00 0.00 H new ATOM 0 HB THR B 9 3.884 -14.442 3.045 1.00 0.00 H new ATOM 0 HG1 THR B 9 1.350 -13.474 2.086 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.830 -11.966 2.952 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.859 -12.663 1.679 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.236 -12.055 1.276 1.00 0.00 H new ATOM 835 N GLY B 10 1.205 -16.228 1.169 1.00 0.00 N ATOM 836 CA GLY B 10 0.357 -17.393 1.477 1.00 0.00 C ATOM 837 C GLY B 10 -0.320 -17.335 2.853 1.00 0.00 C ATOM 838 O GLY B 10 -0.965 -18.298 3.270 1.00 0.00 O ATOM 0 H GLY B 10 0.692 -15.469 0.720 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.412 -17.481 0.710 1.00 0.00 H new ATOM 0 HA3 GLY B 10 0.966 -18.295 1.422 1.00 0.00 H new ATOM 842 N GLU B 11 -0.173 -16.223 3.575 1.00 0.00 N ATOM 843 CA GLU B 11 -0.832 -15.967 4.858 1.00 0.00 C ATOM 844 C GLU B 11 -2.314 -15.568 4.695 1.00 0.00 C ATOM 845 O GLU B 11 -2.684 -14.784 3.830 1.00 0.00 O ATOM 846 CB GLU B 11 -0.076 -14.851 5.578 1.00 0.00 C ATOM 847 CG GLU B 11 1.302 -15.250 6.112 1.00 0.00 C ATOM 848 CD GLU B 11 1.937 -14.073 6.877 1.00 0.00 C ATOM 849 OE1 GLU B 11 1.867 -12.919 6.385 1.00 0.00 O ATOM 850 OE2 GLU B 11 2.492 -14.300 7.982 1.00 0.00 O ATOM 0 H GLU B 11 0.425 -15.453 3.275 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.814 -16.890 5.437 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.044 -14.012 4.893 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.684 -14.498 6.411 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.209 -16.113 6.771 1.00 0.00 H new ATOM 0 HG3 GLU B 11 1.948 -15.547 5.286 1.00 0.00 H new ATOM 857 N VAL B 12 -3.165 -16.065 5.584 1.00 0.00 N ATOM 858 CA VAL B 12 -4.630 -15.887 5.604 1.00 0.00 C ATOM 859 C VAL B 12 -5.048 -15.202 6.909 1.00 0.00 C ATOM 860 O VAL B 12 -4.715 -15.687 7.995 1.00 0.00 O ATOM 861 CB VAL B 12 -5.301 -17.270 5.489 1.00 0.00 C ATOM 862 CG1 VAL B 12 -6.782 -17.316 5.904 1.00 0.00 C ATOM 863 CG2 VAL B 12 -5.208 -17.901 4.107 1.00 0.00 C ATOM 0 H VAL B 12 -2.841 -16.640 6.362 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.942 -15.262 4.767 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.710 -17.844 6.203 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.161 -18.331 5.787 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -6.878 -17.011 6.946 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -7.358 -16.639 5.273 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.705 -18.871 4.116 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.692 -17.252 3.377 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.160 -18.033 3.837 1.00 0.00 H new ATOM 873 N SER B 13 -5.830 -14.123 6.811 1.00 0.00 N ATOM 874 CA SER B 13 -6.525 -13.499 7.952 1.00 0.00 C ATOM 875 C SER B 13 -7.996 -13.180 7.644 1.00 0.00 C ATOM 876 O SER B 13 -8.381 -13.037 6.483 1.00 0.00 O ATOM 877 CB SER B 13 -5.805 -12.210 8.362 1.00 0.00 C ATOM 878 OG SER B 13 -4.427 -12.432 8.621 1.00 0.00 O ATOM 0 H SER B 13 -6.004 -13.648 5.925 1.00 0.00 H new ATOM 0 HA SER B 13 -6.506 -14.221 8.768 1.00 0.00 H new ATOM 0 HB2 SER B 13 -5.911 -11.468 7.571 1.00 0.00 H new ATOM 0 HB3 SER B 13 -6.280 -11.797 9.252 1.00 0.00 H new ATOM 0 HG SER B 13 -4.189 -12.039 9.487 1.00 0.00 H new ATOM 884 N ASP B 14 -8.826 -13.004 8.675 1.00 0.00 N ATOM 885 CA ASP B 14 -10.210 -12.517 8.523 1.00 0.00 C ATOM 886 C ASP B 14 -10.282 -11.013 8.187 1.00 0.00 C ATOM 887 O ASP B 14 -11.174 -10.563 7.470 1.00 0.00 O ATOM 888 CB ASP B 14 -11.036 -12.834 9.779 1.00 0.00 C ATOM 889 CG ASP B 14 -10.903 -14.296 10.237 1.00 0.00 C ATOM 890 OD1 ASP B 14 -11.640 -15.164 9.708 1.00 0.00 O ATOM 891 OD2 ASP B 14 -10.075 -14.582 11.135 1.00 0.00 O ATOM 0 H ASP B 14 -8.562 -13.194 9.642 1.00 0.00 H new ATOM 0 HA ASP B 14 -10.638 -13.047 7.673 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -10.721 -12.176 10.589 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -12.085 -12.616 9.581 1.00 0.00 H new ATOM 896 N ASP B 15 -9.297 -10.244 8.656 1.00 0.00 N ATOM 897 CA ASP B 15 -9.106 -8.806 8.440 1.00 0.00 C ATOM 898 C ASP B 15 -8.235 -8.485 7.202 1.00 0.00 C ATOM 899 O ASP B 15 -7.565 -7.451 7.153 1.00 0.00 O ATOM 900 CB ASP B 15 -8.541 -8.180 9.728 1.00 0.00 C ATOM 901 CG ASP B 15 -9.309 -8.569 11.002 1.00 0.00 C ATOM 902 OD1 ASP B 15 -10.278 -7.855 11.357 1.00 0.00 O ATOM 903 OD2 ASP B 15 -8.939 -9.571 11.660 1.00 0.00 O ATOM 0 H ASP B 15 -8.558 -10.637 9.239 1.00 0.00 H new ATOM 0 HA ASP B 15 -10.076 -8.362 8.217 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.499 -8.480 9.839 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.551 -7.095 9.627 1.00 0.00 H new ATOM 908 N ASN B 16 -8.164 -9.410 6.235 1.00 0.00 N ATOM 909 CA ASN B 16 -7.141 -9.446 5.184 1.00 0.00 C ATOM 910 C ASN B 16 -7.037 -8.186 4.298 1.00 0.00 C ATOM 911 O ASN B 16 -8.022 -7.520 3.960 1.00 0.00 O ATOM 912 CB ASN B 16 -7.290 -10.721 4.341 1.00 0.00 C ATOM 913 CG ASN B 16 -8.657 -10.859 3.687 1.00 0.00 C ATOM 914 OD1 ASN B 16 -9.019 -10.136 2.770 1.00 0.00 O ATOM 915 ND2 ASN B 16 -9.469 -11.778 4.150 1.00 0.00 N ATOM 0 H ASN B 16 -8.836 -10.174 6.161 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.190 -9.460 5.716 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.523 -10.727 3.566 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -7.110 -11.589 4.975 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -10.399 -11.888 3.745 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -9.171 -12.383 4.915 1.00 0.00 H new ATOM 922 N LEU B 17 -5.794 -7.892 3.913 1.00 0.00 N ATOM 923 CA LEU B 17 -5.337 -6.686 3.227 1.00 0.00 C ATOM 924 C LEU B 17 -5.429 -6.844 1.708 1.00 0.00 C ATOM 925 O LEU B 17 -5.481 -7.962 1.197 1.00 0.00 O ATOM 926 CB LEU B 17 -3.908 -6.360 3.722 1.00 0.00 C ATOM 927 CG LEU B 17 -3.786 -6.321 5.252 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.371 -5.989 5.717 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.779 -5.314 5.823 1.00 0.00 C ATOM 0 H LEU B 17 -5.025 -8.540 4.086 1.00 0.00 H new ATOM 0 HA LEU B 17 -5.984 -5.842 3.466 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.217 -7.105 3.329 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.602 -5.396 3.316 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.016 -7.319 5.624 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.340 -5.974 6.806 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.679 -6.744 5.345 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.082 -5.011 5.333 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.689 -5.290 6.909 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.566 -4.324 5.419 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.793 -5.607 5.550 1.00 0.00 H new ATOM 941 N LYS B 18 -5.535 -5.737 0.967 1.00 0.00 N ATOM 942 CA LYS B 18 -5.880 -5.782 -0.465 1.00 0.00 C ATOM 943 C LYS B 18 -5.049 -4.823 -1.333 1.00 0.00 C ATOM 944 O LYS B 18 -4.673 -3.737 -0.889 1.00 0.00 O ATOM 945 CB LYS B 18 -7.405 -5.624 -0.638 1.00 0.00 C ATOM 946 CG LYS B 18 -8.208 -6.626 0.211 1.00 0.00 C ATOM 947 CD LYS B 18 -9.720 -6.554 -0.016 1.00 0.00 C ATOM 948 CE LYS B 18 -10.428 -7.653 0.791 1.00 0.00 C ATOM 949 NZ LYS B 18 -10.356 -7.443 2.262 1.00 0.00 N ATOM 0 H LYS B 18 -5.388 -4.796 1.332 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.603 -6.764 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.694 -4.609 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.663 -5.756 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.864 -7.636 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -7.999 -6.444 1.265 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -10.094 -5.575 0.282 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -9.942 -6.670 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.474 -7.699 0.489 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -9.983 -8.617 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -10.950 -8.149 2.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -9.371 -7.545 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -10.697 -6.488 2.493 1.00 0.00 H new ATOM 963 N LEU B 19 -4.746 -5.251 -2.563 1.00 0.00 N ATOM 964 CA LEU B 19 -3.763 -4.639 -3.472 1.00 0.00 C ATOM 965 C LEU B 19 -4.185 -3.257 -4.003 1.00 0.00 C ATOM 966 O LEU B 19 -5.365 -2.909 -4.033 1.00 0.00 O ATOM 967 CB LEU B 19 -3.407 -5.682 -4.560 1.00 0.00 C ATOM 968 CG LEU B 19 -2.124 -5.433 -5.388 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.411 -6.752 -5.687 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.445 -4.802 -6.743 1.00 0.00 C ATOM 0 H LEU B 19 -5.197 -6.069 -2.973 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.854 -4.394 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.314 -6.655 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.247 -5.749 -5.251 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.500 -4.767 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.511 -6.555 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.137 -7.238 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -2.075 -7.404 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.521 -4.641 -7.298 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.097 -5.468 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.947 -3.847 -6.590 1.00 0.00 H new ATOM 982 N ALA B 20 -3.204 -2.456 -4.412 1.00 0.00 N ATOM 983 CA ALA B 20 -3.382 -1.032 -4.709 1.00 0.00 C ATOM 984 C ALA B 20 -4.085 -0.772 -6.059 1.00 0.00 C ATOM 985 O ALA B 20 -3.798 -1.445 -7.049 1.00 0.00 O ATOM 986 CB ALA B 20 -2.022 -0.327 -4.613 1.00 0.00 C ATOM 0 H ALA B 20 -2.247 -2.781 -4.549 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.057 -0.611 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.146 0.733 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.621 -0.445 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.332 -0.768 -5.332 1.00 0.00 H new ATOM 992 N GLY B 21 -5.002 0.207 -6.106 1.00 0.00 N ATOM 993 CA GLY B 21 -5.809 0.524 -7.302 1.00 0.00 C ATOM 994 C GLY B 21 -5.522 1.913 -7.885 1.00 0.00 C ATOM 995 O GLY B 21 -5.436 2.075 -9.104 1.00 0.00 O ATOM 0 H GLY B 21 -5.209 0.809 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -5.620 -0.228 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -6.866 0.458 -7.045 1.00 0.00 H new ATOM 999 N GLY B 22 -5.314 2.900 -7.009 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.841 4.247 -7.330 1.00 0.00 C ATOM 1001 C GLY B 22 -5.906 5.340 -7.190 1.00 0.00 C ATOM 1002 O GLY B 22 -6.230 6.012 -8.171 1.00 0.00 O ATOM 0 H GLY B 22 -5.479 2.774 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -4.001 4.489 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.464 4.253 -8.353 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.464 5.516 -5.980 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.611 6.422 -5.736 1.00 0.00 C ATOM 1008 C LYS B 23 -7.244 7.907 -5.559 1.00 0.00 C ATOM 1009 O LYS B 23 -8.022 8.777 -5.954 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.460 5.926 -4.549 1.00 0.00 C ATOM 1011 CG LYS B 23 -8.940 4.472 -4.711 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.140 4.124 -3.816 1.00 0.00 C ATOM 1013 CE LYS B 23 -9.893 4.414 -2.329 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.038 3.977 -1.487 1.00 0.00 N ATOM 0 H LYS B 23 -6.137 5.037 -5.141 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.199 6.382 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.875 6.009 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.327 6.577 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.211 4.300 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.116 3.797 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.010 4.690 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.381 3.068 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.986 3.903 -2.004 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.725 5.482 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.836 4.189 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.898 4.483 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.182 2.953 -1.601 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.077 8.196 -4.979 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.524 9.545 -4.753 1.00 0.00 C ATOM 1030 C LEU B 24 -3.988 9.483 -4.697 1.00 0.00 C ATOM 1031 O LEU B 24 -3.441 8.416 -4.424 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.108 10.126 -3.446 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.906 11.642 -3.239 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.513 12.489 -4.362 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.571 12.063 -1.930 1.00 0.00 C ATOM 0 H LEU B 24 -5.457 7.463 -4.635 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.802 10.200 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.177 9.914 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.659 9.600 -2.604 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.830 11.814 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.337 13.545 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.049 12.221 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.586 12.304 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.431 13.133 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.637 11.839 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.120 11.518 -1.101 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.293 10.600 -4.937 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.821 10.660 -5.006 1.00 0.00 C ATOM 1049 C VAL B 25 -1.163 10.913 -3.646 1.00 0.00 C ATOM 1050 O VAL B 25 -1.567 11.769 -2.855 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.342 11.697 -6.042 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.174 11.934 -5.988 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.690 11.214 -7.454 1.00 0.00 C ATOM 0 H VAL B 25 -3.740 11.504 -5.092 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.501 9.671 -5.332 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.847 12.633 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.454 12.673 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.450 12.299 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.696 10.998 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.350 11.949 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.198 10.260 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.769 11.089 -7.540 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.116 10.125 -3.412 1.00 0.00 N ATOM 1064 CA LEU B 26 0.819 10.115 -2.295 1.00 0.00 C ATOM 1065 C LEU B 26 2.271 10.067 -2.818 1.00 0.00 C ATOM 1066 O LEU B 26 2.520 9.763 -3.982 1.00 0.00 O ATOM 1067 CB LEU B 26 0.464 8.976 -1.319 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.792 9.288 -0.470 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.111 8.869 -1.133 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.758 8.538 0.852 1.00 0.00 C ATOM 0 H LEU B 26 0.123 9.393 -4.081 1.00 0.00 H new ATOM 0 HA LEU B 26 0.736 11.039 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.298 8.058 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.310 8.794 -0.656 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.763 10.371 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.944 9.121 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.225 9.394 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.103 7.794 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.652 8.776 1.428 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.724 7.465 0.661 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.126 8.834 1.416 1.00 0.00 H new ATOM 1082 N SER B 27 3.255 10.400 -1.983 1.00 0.00 N ATOM 1083 CA SER B 27 4.685 10.183 -2.268 1.00 0.00 C ATOM 1084 C SER B 27 5.198 9.001 -1.441 1.00 0.00 C ATOM 1085 O SER B 27 4.396 8.323 -0.800 1.00 0.00 O ATOM 1086 CB SER B 27 5.443 11.475 -1.973 1.00 0.00 C ATOM 1087 OG SER B 27 6.781 11.373 -2.432 1.00 0.00 O ATOM 0 H SER B 27 3.086 10.834 -1.076 1.00 0.00 H new ATOM 0 HA SER B 27 4.842 9.932 -3.317 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.947 12.315 -2.459 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.433 11.675 -0.902 1.00 0.00 H new ATOM 0 HG SER B 27 7.363 11.925 -1.869 1.00 0.00 H new ATOM 1093 N LYS B 28 6.516 8.765 -1.397 1.00 0.00 N ATOM 1094 CA LYS B 28 7.162 7.678 -0.630 1.00 0.00 C ATOM 1095 C LYS B 28 6.623 7.614 0.801 1.00 0.00 C ATOM 1096 O LYS B 28 6.204 6.557 1.281 1.00 0.00 O ATOM 1097 CB LYS B 28 8.686 7.922 -0.620 1.00 0.00 C ATOM 1098 CG LYS B 28 9.473 6.701 -0.117 1.00 0.00 C ATOM 1099 CD LYS B 28 10.935 7.002 0.248 1.00 0.00 C ATOM 1100 CE LYS B 28 11.740 7.617 -0.903 1.00 0.00 C ATOM 1101 NZ LYS B 28 13.172 7.768 -0.536 1.00 0.00 N ATOM 0 H LYS B 28 7.187 9.339 -1.907 1.00 0.00 H new ATOM 0 HA LYS B 28 6.939 6.722 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS B 28 9.017 8.174 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.909 8.781 0.013 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.968 6.293 0.758 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.454 5.928 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.956 7.683 1.099 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.419 6.079 0.566 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.653 6.987 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.324 8.590 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.614 8.482 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.246 8.070 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.660 6.858 -0.658 1.00 0.00 H new ATOM 1115 N GLU B 29 6.551 8.786 1.431 1.00 0.00 N ATOM 1116 CA GLU B 29 6.184 8.899 2.842 1.00 0.00 C ATOM 1117 C GLU B 29 4.670 8.731 3.040 1.00 0.00 C ATOM 1118 O GLU B 29 4.216 8.074 3.986 1.00 0.00 O ATOM 1119 CB GLU B 29 6.698 10.219 3.428 1.00 0.00 C ATOM 1120 CG GLU B 29 8.231 10.295 3.463 1.00 0.00 C ATOM 1121 CD GLU B 29 8.709 11.578 4.171 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.756 11.605 5.426 1.00 0.00 O ATOM 1123 OE2 GLU B 29 9.054 12.568 3.480 1.00 0.00 O ATOM 0 H GLU B 29 6.744 9.680 0.980 1.00 0.00 H new ATOM 0 HA GLU B 29 6.665 8.087 3.388 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.311 11.049 2.837 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.309 10.339 4.439 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.629 9.422 3.979 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.622 10.270 2.446 1.00 0.00 H new ATOM 1130 N GLY B 30 3.865 9.261 2.113 1.00 0.00 N ATOM 1131 CA GLY B 30 2.433 9.031 2.123 1.00 0.00 C ATOM 1132 C GLY B 30 2.094 7.551 1.915 1.00 0.00 C ATOM 1133 O GLY B 30 1.329 6.990 2.695 1.00 0.00 O ATOM 0 H GLY B 30 4.191 9.852 1.348 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.017 9.370 3.072 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.964 9.625 1.339 1.00 0.00 H new ATOM 1137 N ALA B 31 2.699 6.886 0.925 1.00 0.00 N ATOM 1138 CA ALA B 31 2.423 5.483 0.628 1.00 0.00 C ATOM 1139 C ALA B 31 2.824 4.585 1.814 1.00 0.00 C ATOM 1140 O ALA B 31 2.064 3.696 2.213 1.00 0.00 O ATOM 1141 CB ALA B 31 3.127 5.089 -0.683 1.00 0.00 C ATOM 0 H ALA B 31 3.393 7.309 0.309 1.00 0.00 H new ATOM 0 HA ALA B 31 1.352 5.339 0.485 1.00 0.00 H new ATOM 0 HB1 ALA B 31 2.922 4.042 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.756 5.713 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.202 5.233 -0.576 1.00 0.00 H new ATOM 1147 N GLU B 32 3.985 4.839 2.436 1.00 0.00 N ATOM 1148 CA GLU B 32 4.363 4.049 3.624 1.00 0.00 C ATOM 1149 C GLU B 32 3.413 4.319 4.813 1.00 0.00 C ATOM 1150 O GLU B 32 3.122 3.423 5.615 1.00 0.00 O ATOM 1151 CB GLU B 32 5.836 4.220 4.008 1.00 0.00 C ATOM 1152 CG GLU B 32 6.130 5.568 4.662 1.00 0.00 C ATOM 1153 CD GLU B 32 7.579 5.663 5.179 1.00 0.00 C ATOM 1154 OE1 GLU B 32 7.941 4.910 6.117 1.00 0.00 O ATOM 1155 OE2 GLU B 32 8.353 6.518 4.689 1.00 0.00 O ATOM 0 H GLU B 32 4.656 5.554 2.154 1.00 0.00 H new ATOM 0 HA GLU B 32 4.247 3.000 3.350 1.00 0.00 H new ATOM 0 HB2 GLU B 32 6.123 3.421 4.691 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.453 4.113 3.116 1.00 0.00 H new ATOM 0 HG2 GLU B 32 5.951 6.366 3.941 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.440 5.726 5.491 1.00 0.00 H new ATOM 1162 N GLN B 33 2.868 5.541 4.915 1.00 0.00 N ATOM 1163 CA GLN B 33 1.828 5.840 5.900 1.00 0.00 C ATOM 1164 C GLN B 33 0.503 5.116 5.608 1.00 0.00 C ATOM 1165 O GLN B 33 -0.167 4.669 6.545 1.00 0.00 O ATOM 1166 CB GLN B 33 1.682 7.357 6.051 1.00 0.00 C ATOM 1167 CG GLN B 33 2.665 7.858 7.119 1.00 0.00 C ATOM 1168 CD GLN B 33 2.829 9.369 7.103 1.00 0.00 C ATOM 1169 OE1 GLN B 33 2.320 10.100 7.944 1.00 0.00 O ATOM 1170 NE2 GLN B 33 3.565 9.887 6.148 1.00 0.00 N ATOM 0 H GLN B 33 3.132 6.332 4.328 1.00 0.00 H new ATOM 0 HA GLN B 33 2.139 5.442 6.866 1.00 0.00 H new ATOM 0 HB2 GLN B 33 1.880 7.849 5.099 1.00 0.00 H new ATOM 0 HB3 GLN B 33 0.660 7.609 6.334 1.00 0.00 H new ATOM 0 HG2 GLN B 33 2.316 7.545 8.103 1.00 0.00 H new ATOM 0 HG3 GLN B 33 3.636 7.390 6.961 1.00 0.00 H new ATOM 0 HE21 GLN B 33 3.990 9.281 5.446 1.00 0.00 H new ATOM 0 HE22 GLN B 33 3.712 10.896 6.107 1.00 0.00 H new ATOM 1179 N ILE B 34 0.157 4.880 4.337 1.00 0.00 N ATOM 1180 CA ILE B 34 -0.907 3.920 4.009 1.00 0.00 C ATOM 1181 C ILE B 34 -0.524 2.525 4.504 1.00 0.00 C ATOM 1182 O ILE B 34 -1.386 1.869 5.071 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.293 3.874 2.522 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.695 5.272 2.031 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.476 2.890 2.387 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.867 5.322 0.510 1.00 0.00 C ATOM 0 H ILE B 34 0.589 5.331 3.530 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.797 4.276 4.527 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.450 3.545 1.914 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.627 5.570 2.511 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -0.936 5.994 2.333 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -2.781 2.829 1.342 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.170 1.903 2.734 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.313 3.243 2.989 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.151 6.330 0.209 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -0.927 5.051 0.028 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.645 4.620 0.209 1.00 0.00 H new ATOM 1198 N ILE B 35 0.728 2.062 4.374 1.00 0.00 N ATOM 1199 CA ILE B 35 1.100 0.764 4.984 1.00 0.00 C ATOM 1200 C ILE B 35 0.848 0.712 6.479 1.00 0.00 C ATOM 1201 O ILE B 35 0.381 -0.306 6.984 1.00 0.00 O ATOM 1202 CB ILE B 35 2.549 0.323 4.690 1.00 0.00 C ATOM 1203 CG1 ILE B 35 2.481 -0.950 3.828 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.486 0.032 5.884 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.826 -2.186 4.448 1.00 0.00 C ATOM 0 H ILE B 35 1.478 2.540 3.874 1.00 0.00 H new ATOM 0 HA ILE B 35 0.433 0.054 4.495 1.00 0.00 H new ATOM 0 HB ILE B 35 2.998 1.192 4.210 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.943 -0.708 2.911 1.00 0.00 H new ATOM 0 HG13 ILE B 35 3.498 -1.216 3.540 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.467 -0.266 5.513 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.586 0.929 6.495 1.00 0.00 H new ATOM 0 HG23 ILE B 35 3.067 -0.773 6.488 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.847 -3.007 3.731 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.371 -2.475 5.347 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.792 -1.958 4.708 1.00 0.00 H new ATOM 1217 N SER B 36 1.121 1.810 7.172 1.00 0.00 N ATOM 1218 CA SER B 36 0.825 1.910 8.598 1.00 0.00 C ATOM 1219 C SER B 36 -0.684 1.765 8.833 1.00 0.00 C ATOM 1220 O SER B 36 -1.087 0.952 9.666 1.00 0.00 O ATOM 1221 CB SER B 36 1.381 3.218 9.160 1.00 0.00 C ATOM 1222 OG SER B 36 2.800 3.179 9.206 1.00 0.00 O ATOM 0 H SER B 36 1.547 2.645 6.771 1.00 0.00 H new ATOM 0 HA SER B 36 1.315 1.097 9.133 1.00 0.00 H new ATOM 0 HB2 SER B 36 1.055 4.054 8.541 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.984 3.388 10.161 1.00 0.00 H new ATOM 0 HG SER B 36 3.139 4.025 9.567 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.531 2.430 8.035 1.00 0.00 N ATOM 1229 CA GLU B 37 -2.990 2.246 8.121 1.00 0.00 C ATOM 1230 C GLU B 37 -3.426 0.811 7.755 1.00 0.00 C ATOM 1231 O GLU B 37 -4.200 0.197 8.488 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.723 3.269 7.235 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.558 4.729 7.684 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.260 5.009 9.027 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -5.485 5.287 9.026 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -3.593 4.971 10.089 1.00 0.00 O ATOM 0 H GLU B 37 -1.234 3.099 7.324 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.267 2.413 9.162 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.359 3.173 6.212 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.785 3.024 7.220 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.497 4.961 7.775 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.964 5.391 6.919 1.00 0.00 H new ATOM 1243 N ILE B 38 -2.900 0.240 6.666 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.234 -1.103 6.164 1.00 0.00 C ATOM 1245 C ILE B 38 -2.841 -2.194 7.170 1.00 0.00 C ATOM 1246 O ILE B 38 -3.679 -2.979 7.621 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.588 -1.271 4.763 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.465 -0.539 3.718 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.356 -2.716 4.342 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -2.973 -0.628 2.263 1.00 0.00 C ATOM 0 H ILE B 38 -2.206 0.714 6.088 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.312 -1.215 6.052 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.593 -0.830 4.821 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.475 -0.946 3.767 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.531 0.513 3.997 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -1.902 -2.738 3.351 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -1.691 -3.201 5.057 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.309 -3.245 4.316 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.658 -0.083 1.613 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -1.977 -0.192 2.188 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -2.935 -1.673 1.955 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.586 -2.209 7.612 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.137 -3.167 8.618 1.00 0.00 C ATOM 1264 C GLN B 39 -1.884 -2.966 9.942 1.00 0.00 C ATOM 1265 O GLN B 39 -2.199 -3.943 10.620 1.00 0.00 O ATOM 1266 CB GLN B 39 0.374 -3.071 8.826 1.00 0.00 C ATOM 1267 CG GLN B 39 1.202 -3.733 7.708 1.00 0.00 C ATOM 1268 CD GLN B 39 2.627 -4.080 8.142 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.235 -3.461 9.006 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.203 -5.093 7.540 1.00 0.00 N ATOM 0 H GLN B 39 -0.862 -1.568 7.289 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.365 -4.168 8.252 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.655 -2.020 8.899 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.630 -3.536 9.778 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.697 -4.642 7.380 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.243 -3.063 6.849 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.700 -5.611 6.820 1.00 0.00 H new ATOM 0 HE22 GLN B 39 4.154 -5.362 7.792 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.260 -1.727 10.277 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.135 -1.470 11.426 1.00 0.00 C ATOM 1281 C ASN B 40 -4.589 -1.961 11.231 1.00 0.00 C ATOM 1282 O ASN B 40 -5.236 -2.339 12.211 1.00 0.00 O ATOM 1283 CB ASN B 40 -3.050 0.010 11.813 1.00 0.00 C ATOM 1284 CG ASN B 40 -3.757 0.319 13.124 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -4.698 1.097 13.180 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -3.349 -0.284 14.218 1.00 0.00 N ATOM 0 H ASN B 40 -1.973 -0.889 9.771 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.770 -2.071 12.259 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -2.002 0.300 11.894 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.488 0.614 11.018 1.00 0.00 H new ATOM 0 HD21 ASN B 40 -3.817 -0.101 15.106 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -2.564 -0.935 14.179 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.095 -2.062 9.995 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.343 -2.785 9.710 1.00 0.00 C ATOM 1295 C GLN B 41 -6.199 -4.296 9.937 1.00 0.00 C ATOM 1296 O GLN B 41 -7.089 -4.895 10.545 1.00 0.00 O ATOM 1297 CB GLN B 41 -6.894 -2.504 8.301 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.324 -1.043 8.089 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.485 -0.930 7.106 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.339 -0.535 5.956 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -9.684 -1.282 7.523 1.00 0.00 N ATOM 0 H GLN B 41 -4.657 -1.650 9.171 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.070 -2.399 10.424 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.133 -2.761 7.564 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.748 -3.156 8.117 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.614 -0.607 9.045 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.477 -0.465 7.719 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.815 -1.612 8.479 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.481 -1.224 6.890 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.070 -4.906 9.541 1.00 0.00 N ATOM 1311 CA LEU B 42 -4.815 -6.330 9.862 1.00 0.00 C ATOM 1312 C LEU B 42 -4.699 -6.560 11.383 1.00 0.00 C ATOM 1313 O LEU B 42 -5.207 -7.555 11.899 1.00 0.00 O ATOM 1314 CB LEU B 42 -3.590 -6.838 9.074 1.00 0.00 C ATOM 1315 CG LEU B 42 -3.425 -8.350 8.802 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.048 -9.176 10.029 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -4.642 -8.959 8.123 1.00 0.00 C ATOM 0 H LEU B 42 -4.329 -4.451 9.008 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.672 -6.923 9.544 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.592 -6.332 8.108 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.700 -6.504 9.607 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.578 -8.397 8.117 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -2.953 -10.225 9.747 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -2.098 -8.821 10.429 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -3.823 -9.074 10.789 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -4.471 -10.023 7.956 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -5.517 -8.828 8.759 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.811 -8.464 7.167 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.110 -5.606 12.116 1.00 0.00 N ATOM 1330 CA GLN B 43 -4.045 -5.634 13.586 1.00 0.00 C ATOM 1331 C GLN B 43 -5.439 -5.536 14.237 1.00 0.00 C ATOM 1332 O GLN B 43 -5.763 -6.351 15.104 1.00 0.00 O ATOM 1333 CB GLN B 43 -3.152 -4.496 14.106 1.00 0.00 C ATOM 1334 CG GLN B 43 -1.652 -4.702 13.831 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.812 -3.442 14.070 1.00 0.00 C ATOM 1336 OE1 GLN B 43 -1.301 -2.345 14.313 1.00 0.00 O ATOM 1337 NE2 GLN B 43 0.498 -3.542 13.996 1.00 0.00 N ATOM 0 H GLN B 43 -3.662 -4.787 11.705 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.615 -6.596 13.865 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -3.470 -3.560 13.647 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -3.303 -4.392 15.180 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -1.280 -5.504 14.468 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -1.520 -5.027 12.799 1.00 0.00 H new ATOM 0 HE21 GLN B 43 0.930 -4.444 13.795 1.00 0.00 H new ATOM 0 HE22 GLN B 43 1.081 -2.718 14.140 1.00 0.00 H new ATOM 1346 N ASN B 44 -6.258 -4.546 13.850 1.00 0.00 N ATOM 1347 CA ASN B 44 -7.584 -4.314 14.444 1.00 0.00 C ATOM 1348 C ASN B 44 -8.568 -3.490 13.581 1.00 0.00 C ATOM 1349 O ASN B 44 -9.765 -3.784 13.583 1.00 0.00 O ATOM 1350 CB ASN B 44 -7.369 -3.586 15.790 1.00 0.00 C ATOM 1351 CG ASN B 44 -8.661 -3.400 16.571 1.00 0.00 C ATOM 1352 OD1 ASN B 44 -9.175 -2.301 16.715 1.00 0.00 O ATOM 1353 ND2 ASN B 44 -9.240 -4.467 17.077 1.00 0.00 N ATOM 0 H ASN B 44 -6.019 -3.882 13.114 1.00 0.00 H new ATOM 0 HA ASN B 44 -8.052 -5.293 14.549 1.00 0.00 H new ATOM 0 HB2 ASN B 44 -6.662 -4.153 16.396 1.00 0.00 H new ATOM 0 HB3 ASN B 44 -6.919 -2.611 15.603 1.00 0.00 H new ATOM 0 HD21 ASN B 44 -10.117 -4.377 17.589 1.00 0.00 H new ATOM 0 HD22 ASN B 44 -8.812 -5.385 16.957 1.00 0.00 H new ATOM 1360 N LEU B 45 -8.102 -2.434 12.906 1.00 0.00 N ATOM 1361 CA LEU B 45 -8.940 -1.300 12.486 1.00 0.00 C ATOM 1362 C LEU B 45 -9.924 -1.601 11.334 1.00 0.00 C ATOM 1363 O LEU B 45 -9.544 -2.127 10.285 1.00 0.00 O ATOM 1364 CB LEU B 45 -7.999 -0.119 12.161 1.00 0.00 C ATOM 1365 CG LEU B 45 -8.687 1.180 11.698 1.00 0.00 C ATOM 1366 CD1 LEU B 45 -9.540 1.807 12.802 1.00 0.00 C ATOM 1367 CD2 LEU B 45 -7.630 2.198 11.273 1.00 0.00 C ATOM 0 H LEU B 45 -7.124 -2.339 12.632 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.607 -1.052 13.312 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.406 0.103 13.048 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -7.304 -0.436 11.384 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.338 0.918 10.864 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -10.005 2.720 12.429 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -10.315 1.104 13.107 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -8.909 2.045 13.658 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -8.119 3.116 10.946 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.975 2.417 12.117 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.040 1.789 10.453 1.00 0.00 H new ATOM 1379 N LYS B 46 -11.181 -1.165 11.494 1.00 0.00 N ATOM 1380 CA LYS B 46 -12.178 -0.953 10.426 1.00 0.00 C ATOM 1381 C LYS B 46 -13.191 0.143 10.799 1.00 0.00 C ATOM 1382 O LYS B 46 -13.380 0.405 12.010 1.00 0.00 O ATOM 1383 CB LYS B 46 -12.880 -2.264 10.005 1.00 0.00 C ATOM 1384 CG LYS B 46 -13.781 -2.955 11.050 1.00 0.00 C ATOM 1385 CD LYS B 46 -13.060 -3.769 12.136 1.00 0.00 C ATOM 1386 CE LYS B 46 -12.247 -4.921 11.530 1.00 0.00 C ATOM 1387 NZ LYS B 46 -11.583 -5.730 12.579 1.00 0.00 N ATOM 1388 OXT LYS B 46 -13.769 0.755 9.873 1.00 0.00 O ATOM 0 H LYS B 46 -11.552 -0.938 12.416 1.00 0.00 H new ATOM 0 HA LYS B 46 -11.628 -0.601 9.553 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -13.487 -2.053 9.124 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -12.112 -2.975 9.700 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -14.386 -2.191 11.539 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -14.468 -3.618 10.525 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -12.398 -3.115 12.703 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -13.792 -4.169 12.838 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -12.904 -5.559 10.939 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -11.496 -4.519 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -11.215 -6.608 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -10.797 -5.187 12.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -12.270 -5.964 13.324 1.00 0.00 H new TER 1402 LYS B 46