USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 22 MET CE :methyl 151:sc= -0.69 (180deg=-2.24!) USER MOD Set 1.2: A 71 THR OG1 : rot 90:sc= 1.1 USER MOD Set 1.3: A 75 LYS NZ :NH3+ -108:sc= 0.124 (180deg=-0.986) USER MOD Set 2.1: A 70 TYR OH : rot -94:sc= 0.409 USER MOD Set 2.2: A 124 ASN : amide:sc= 0.254 K(o=0.66,f=-0.4) USER MOD Set 3.1: A 58 SER OG : rot 95:sc= 1.25 USER MOD Set 3.2: A 62 GLN : amide:sc= -1.92 X(o=-0.67,f=-0.63) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.986 (180deg=-1.24) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 4 HIS : no HE2:sc= 0.921 K(o=0.92,f=-2.8!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 8 HIS : no HD1:sc= -0.621 K(o=-0.62,f=-4.9!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.08 K(o=-1.1,f=-5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 21 SER OG : rot 137:sc= 0.442 USER MOD Single : A 25 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.78) USER MOD Single : A 29 SER OG : rot 180:sc= 0.1 USER MOD Single : A 33 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -77:sc= 1.25 USER MOD Single : A 37 SER OG : rot -36:sc= 0.598 USER MOD Single : A 38 CYS SG : rot -90:sc= -2.04! USER MOD Single : A 39 ASN : amide:sc= -0.661 K(o=-0.66,f=-4.3!) USER MOD Single : A 41 ASN : amide:sc= -0.0708 X(o=-0.071,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= -1.06 (180deg=-2.9!) USER MOD Single : A 68 GLN : amide:sc=-0.00393 K(o=-0.0039,f=-0.58) USER MOD Single : A 69 GLN : amide:sc= -0.849 K(o=-0.85,f=-0.048) USER MOD Single : A 73 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0281 USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 0.929 (180deg=0.332) USER MOD Single : A 80 ASN : amide:sc= -0.0034 X(o=-0.0034,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.967 K(o=-0.97,f=-0.18) USER MOD Single : A 85 GLN : amide:sc= -0.63 K(o=-0.63,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 90 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.061) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -40:sc= 0.745 USER MOD Single : A 98 THR OG1 : rot 105:sc= 0.89 USER MOD Single : A 101 MET CE :methyl 141:sc= -0.863 (180deg=-3.74!) USER MOD Single : A 103 LYS NZ :NH3+ 171:sc= 1.18 (180deg=0.629) USER MOD Single : A 104 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.38) USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= 0.794 (180deg=0.387) USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0076) USER MOD Single : A 109 SER OG : rot 165:sc= 0.466 USER MOD Single : A 110 GLN : amide:sc= 0.773 K(o=0.77,f=-0.68) USER MOD Single : A 117 SER OG : rot -130:sc= -0.0487 USER MOD Single : A 118 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0.665) USER MOD Single : A 121 SER OG : rot 54:sc= 1.27 USER MOD Single : A 125 ASN : amide:sc= -0.0013 K(o=-0.0013,f=-0.61) USER MOD Single : A 126 ASN : amide:sc= -1.37! C(o=-1.4!,f=-3.2!) USER MOD Single : A 128 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.364 -14.509 -6.786 1.00 52.41 N ATOM 2 CA MET A 1 5.851 -15.239 -5.593 1.00 71.43 C ATOM 3 C MET A 1 7.338 -15.549 -5.740 1.00 14.20 C ATOM 4 O MET A 1 7.717 -16.613 -6.236 1.00 12.30 O ATOM 5 CB MET A 1 5.048 -16.532 -5.378 1.00 42.42 C ATOM 6 CG MET A 1 5.485 -17.334 -4.157 1.00 33.11 C ATOM 7 SD MET A 1 5.388 -16.381 -2.627 1.00 51.51 S ATOM 8 CE MET A 1 5.966 -17.588 -1.433 1.00 51.41 C ATOM 0 H1 MET A 1 4.396 -14.169 -6.614 1.00 52.41 H new ATOM 0 H2 MET A 1 5.987 -13.698 -6.975 1.00 52.41 H new ATOM 0 H3 MET A 1 5.366 -15.146 -7.608 1.00 52.41 H new ATOM 0 HA MET A 1 5.709 -14.605 -4.717 1.00 71.43 H new ATOM 0 HB2 MET A 1 3.992 -16.280 -5.276 1.00 42.42 H new ATOM 0 HB3 MET A 1 5.142 -17.159 -6.265 1.00 42.42 H new ATOM 0 HG2 MET A 1 4.859 -18.222 -4.068 1.00 33.11 H new ATOM 0 HG3 MET A 1 6.509 -17.679 -4.301 1.00 33.11 H new ATOM 0 HE1 MET A 1 5.962 -17.145 -0.437 1.00 51.41 H new ATOM 0 HE2 MET A 1 5.308 -18.457 -1.446 1.00 51.41 H new ATOM 0 HE3 MET A 1 6.980 -17.897 -1.689 1.00 51.41 H new ATOM 20 N ALA A 2 8.176 -14.597 -5.346 1.00 43.30 N ATOM 21 CA ALA A 2 9.625 -14.763 -5.419 1.00 15.42 C ATOM 22 C ALA A 2 10.224 -14.902 -4.022 1.00 15.33 C ATOM 23 O ALA A 2 10.151 -13.975 -3.209 1.00 52.41 O ATOM 24 CB ALA A 2 10.256 -13.589 -6.158 1.00 24.21 C ATOM 0 H ALA A 2 7.876 -13.697 -4.971 1.00 43.30 H new ATOM 0 HA ALA A 2 9.839 -15.677 -5.973 1.00 15.42 H new ATOM 0 HB1 ALA A 2 11.336 -13.727 -6.205 1.00 24.21 H new ATOM 0 HB2 ALA A 2 9.853 -13.537 -7.169 1.00 24.21 H new ATOM 0 HB3 ALA A 2 10.031 -12.663 -5.629 1.00 24.21 H new ATOM 30 N HIS A 3 10.809 -16.066 -3.751 1.00 53.35 N ATOM 31 CA HIS A 3 11.426 -16.345 -2.454 1.00 60.14 C ATOM 32 C HIS A 3 12.611 -15.411 -2.201 1.00 64.41 C ATOM 33 O HIS A 3 13.476 -15.242 -3.060 1.00 42.34 O ATOM 34 CB HIS A 3 11.890 -17.806 -2.389 1.00 51.03 C ATOM 35 CG HIS A 3 12.621 -18.155 -1.126 1.00 10.34 C ATOM 36 ND1 HIS A 3 13.996 -18.181 -1.039 1.00 23.24 N ATOM 37 CD2 HIS A 3 12.162 -18.488 0.106 1.00 55.32 C ATOM 38 CE1 HIS A 3 14.353 -18.514 0.186 1.00 34.42 C ATOM 39 NE2 HIS A 3 13.261 -18.704 0.900 1.00 0.14 N ATOM 0 H HIS A 3 10.869 -16.837 -4.416 1.00 53.35 H new ATOM 0 HA HIS A 3 10.678 -16.173 -1.680 1.00 60.14 H new ATOM 0 HB2 HIS A 3 11.022 -18.458 -2.487 1.00 51.03 H new ATOM 0 HB3 HIS A 3 12.539 -18.009 -3.241 1.00 51.03 H new ATOM 0 HD2 HIS A 3 11.128 -18.568 0.406 1.00 55.32 H new ATOM 0 HE1 HIS A 3 15.367 -18.614 0.544 1.00 34.42 H new ATOM 0 HE2 HIS A 3 13.237 -18.969 1.885 1.00 0.14 H new ATOM 48 N HIS A 4 12.638 -14.809 -1.015 1.00 14.31 N ATOM 49 CA HIS A 4 13.725 -13.919 -0.609 1.00 3.25 C ATOM 50 C HIS A 4 14.106 -14.180 0.846 1.00 41.02 C ATOM 51 O HIS A 4 13.263 -14.597 1.646 1.00 4.23 O ATOM 52 CB HIS A 4 13.319 -12.445 -0.789 1.00 51.32 C ATOM 53 CG HIS A 4 13.343 -11.966 -2.211 1.00 55.54 C ATOM 54 ND1 HIS A 4 12.304 -12.162 -3.094 1.00 4.43 N ATOM 55 CD2 HIS A 4 14.288 -11.282 -2.897 1.00 4.34 C ATOM 56 CE1 HIS A 4 12.611 -11.620 -4.258 1.00 71.32 C ATOM 57 NE2 HIS A 4 13.809 -11.078 -4.167 1.00 33.22 N ATOM 0 H HIS A 4 11.910 -14.923 -0.310 1.00 14.31 H new ATOM 0 HA HIS A 4 14.587 -14.121 -1.245 1.00 3.25 H new ATOM 0 HB2 HIS A 4 12.315 -12.305 -0.388 1.00 51.32 H new ATOM 0 HB3 HIS A 4 13.988 -11.821 -0.197 1.00 51.32 H new ATOM 0 HD1 HIS A 4 11.434 -12.650 -2.882 1.00 4.43 H new ATOM 0 HD2 HIS A 4 15.244 -10.956 -2.515 1.00 4.34 H new ATOM 0 HE1 HIS A 4 11.985 -11.621 -5.138 1.00 71.32 H new ATOM 66 N HIS A 5 15.373 -13.935 1.182 1.00 62.24 N ATOM 67 CA HIS A 5 15.867 -14.116 2.549 1.00 32.03 C ATOM 68 C HIS A 5 15.129 -13.179 3.506 1.00 71.54 C ATOM 69 O HIS A 5 14.652 -12.117 3.101 1.00 14.21 O ATOM 70 CB HIS A 5 17.382 -13.864 2.616 1.00 20.11 C ATOM 71 CG HIS A 5 18.187 -14.796 1.759 1.00 24.52 C ATOM 72 ND1 HIS A 5 18.817 -14.403 0.598 1.00 11.55 N ATOM 73 CD2 HIS A 5 18.465 -16.113 1.905 1.00 50.20 C ATOM 74 CE1 HIS A 5 19.443 -15.437 0.066 1.00 71.24 C ATOM 75 NE2 HIS A 5 19.244 -16.485 0.840 1.00 51.11 N ATOM 0 H HIS A 5 16.080 -13.609 0.523 1.00 62.24 H new ATOM 0 HA HIS A 5 15.677 -15.146 2.851 1.00 32.03 H new ATOM 0 HB2 HIS A 5 17.584 -12.837 2.310 1.00 20.11 H new ATOM 0 HB3 HIS A 5 17.712 -13.960 3.650 1.00 20.11 H new ATOM 0 HD2 HIS A 5 18.135 -16.752 2.711 1.00 50.20 H new ATOM 0 HE1 HIS A 5 20.019 -15.426 -0.847 1.00 71.24 H new ATOM 0 HE2 HIS A 5 19.611 -17.422 0.673 1.00 51.11 H new ATOM 84 N HIS A 6 15.039 -13.572 4.770 1.00 52.44 N ATOM 85 CA HIS A 6 14.227 -12.847 5.748 1.00 73.21 C ATOM 86 C HIS A 6 15.076 -11.872 6.566 1.00 1.11 C ATOM 87 O HIS A 6 16.266 -12.092 6.784 1.00 31.35 O ATOM 88 CB HIS A 6 13.516 -13.828 6.695 1.00 24.45 C ATOM 89 CG HIS A 6 12.597 -14.798 6.010 1.00 32.44 C ATOM 90 ND1 HIS A 6 12.165 -15.963 6.602 1.00 3.12 N ATOM 91 CD2 HIS A 6 12.019 -14.770 4.783 1.00 63.32 C ATOM 92 CE1 HIS A 6 11.365 -16.607 5.776 1.00 53.45 C ATOM 93 NE2 HIS A 6 11.257 -15.907 4.663 1.00 1.41 N ATOM 0 H HIS A 6 15.518 -14.390 5.146 1.00 52.44 H new ATOM 0 HA HIS A 6 13.482 -12.276 5.193 1.00 73.21 H new ATOM 0 HB2 HIS A 6 14.269 -14.389 7.249 1.00 24.45 H new ATOM 0 HB3 HIS A 6 12.943 -13.257 7.425 1.00 24.45 H new ATOM 0 HD2 HIS A 6 12.136 -13.997 4.038 1.00 63.32 H new ATOM 0 HE1 HIS A 6 10.879 -17.550 5.977 1.00 53.45 H new ATOM 0 HE2 HIS A 6 10.700 -16.167 3.849 1.00 1.41 H new ATOM 102 N HIS A 7 14.445 -10.782 6.994 1.00 31.52 N ATOM 103 CA HIS A 7 15.044 -9.816 7.917 1.00 45.15 C ATOM 104 C HIS A 7 13.939 -9.268 8.813 1.00 44.42 C ATOM 105 O HIS A 7 12.786 -9.674 8.675 1.00 75.50 O ATOM 106 CB HIS A 7 15.742 -8.669 7.165 1.00 4.53 C ATOM 107 CG HIS A 7 16.929 -9.093 6.352 1.00 21.54 C ATOM 108 ND1 HIS A 7 16.971 -9.014 4.978 1.00 33.21 N ATOM 109 CD2 HIS A 7 18.132 -9.591 6.732 1.00 60.24 C ATOM 110 CE1 HIS A 7 18.141 -9.446 4.549 1.00 61.42 C ATOM 111 NE2 HIS A 7 18.864 -9.802 5.591 1.00 73.23 N ATOM 0 H HIS A 7 13.496 -10.540 6.709 1.00 31.52 H new ATOM 0 HA HIS A 7 15.808 -10.315 8.513 1.00 45.15 H new ATOM 0 HB2 HIS A 7 15.018 -8.189 6.506 1.00 4.53 H new ATOM 0 HB3 HIS A 7 16.061 -7.918 7.888 1.00 4.53 H new ATOM 0 HD2 HIS A 7 18.454 -9.785 7.744 1.00 60.24 H new ATOM 0 HE1 HIS A 7 18.454 -9.499 3.517 1.00 61.42 H new ATOM 0 HE2 HIS A 7 19.813 -10.174 5.555 1.00 73.23 H new ATOM 120 N HIS A 8 14.270 -8.357 9.721 1.00 72.01 N ATOM 121 CA HIS A 8 13.271 -7.818 10.646 1.00 71.12 C ATOM 122 C HIS A 8 13.756 -6.521 11.287 1.00 1.03 C ATOM 123 O HIS A 8 14.953 -6.350 11.533 1.00 4.42 O ATOM 124 CB HIS A 8 12.948 -8.858 11.729 1.00 1.02 C ATOM 125 CG HIS A 8 11.892 -8.430 12.706 1.00 34.11 C ATOM 126 ND1 HIS A 8 10.608 -8.101 12.332 1.00 4.35 N ATOM 127 CD2 HIS A 8 11.932 -8.299 14.053 1.00 52.42 C ATOM 128 CE1 HIS A 8 9.903 -7.787 13.401 1.00 11.45 C ATOM 129 NE2 HIS A 8 10.684 -7.899 14.457 1.00 61.13 N ATOM 0 H HIS A 8 15.209 -7.978 9.839 1.00 72.01 H new ATOM 0 HA HIS A 8 12.366 -7.594 10.081 1.00 71.12 H new ATOM 0 HB2 HIS A 8 12.626 -9.780 11.245 1.00 1.02 H new ATOM 0 HB3 HIS A 8 13.861 -9.088 12.278 1.00 1.02 H new ATOM 0 HD2 HIS A 8 12.786 -8.476 14.690 1.00 52.42 H new ATOM 0 HE1 HIS A 8 8.865 -7.489 13.410 1.00 11.45 H new ATOM 0 HE2 HIS A 8 10.405 -7.717 15.421 1.00 61.13 H new ATOM 138 N MET A 9 12.823 -5.607 11.539 1.00 3.00 N ATOM 139 CA MET A 9 13.124 -4.358 12.237 1.00 33.24 C ATOM 140 C MET A 9 12.859 -4.523 13.734 1.00 62.43 C ATOM 141 O MET A 9 12.010 -5.325 14.127 1.00 43.11 O ATOM 142 CB MET A 9 12.258 -3.213 11.684 1.00 50.21 C ATOM 143 CG MET A 9 12.396 -2.987 10.181 1.00 22.14 C ATOM 144 SD MET A 9 14.069 -2.525 9.682 1.00 52.43 S ATOM 145 CE MET A 9 13.813 -2.209 7.935 1.00 42.22 C ATOM 0 H MET A 9 11.845 -5.708 11.268 1.00 3.00 H new ATOM 0 HA MET A 9 14.175 -4.115 12.079 1.00 33.24 H new ATOM 0 HB2 MET A 9 11.213 -3.421 11.913 1.00 50.21 H new ATOM 0 HB3 MET A 9 12.521 -2.291 12.203 1.00 50.21 H new ATOM 0 HG2 MET A 9 12.105 -3.896 9.655 1.00 22.14 H new ATOM 0 HG3 MET A 9 11.703 -2.205 9.873 1.00 22.14 H new ATOM 0 HE1 MET A 9 14.756 -1.911 7.477 1.00 42.22 H new ATOM 0 HE2 MET A 9 13.445 -3.114 7.452 1.00 42.22 H new ATOM 0 HE3 MET A 9 13.082 -1.410 7.813 1.00 42.22 H new ATOM 155 N GLY A 10 13.592 -3.780 14.566 1.00 21.24 N ATOM 156 CA GLY A 10 13.359 -3.815 16.005 1.00 73.21 C ATOM 157 C GLY A 10 11.928 -3.442 16.345 1.00 50.13 C ATOM 158 O GLY A 10 11.169 -4.259 16.881 1.00 54.53 O ATOM 0 H GLY A 10 14.342 -3.155 14.270 1.00 21.24 H new ATOM 0 HA2 GLY A 10 13.576 -4.813 16.386 1.00 73.21 H new ATOM 0 HA3 GLY A 10 14.043 -3.128 16.502 1.00 73.21 H new ATOM 162 N THR A 11 11.570 -2.202 16.040 1.00 64.21 N ATOM 163 CA THR A 11 10.190 -1.742 16.098 1.00 21.53 C ATOM 164 C THR A 11 10.032 -0.543 15.164 1.00 35.51 C ATOM 165 O THR A 11 10.874 0.360 15.152 1.00 14.41 O ATOM 166 CB THR A 11 9.747 -1.378 17.541 1.00 73.01 C ATOM 167 OG1 THR A 11 8.355 -1.033 17.552 1.00 52.41 O ATOM 168 CG2 THR A 11 10.564 -0.223 18.113 1.00 72.00 C ATOM 0 H THR A 11 12.232 -1.484 15.744 1.00 64.21 H new ATOM 0 HA THR A 11 9.542 -2.557 15.776 1.00 21.53 H new ATOM 0 HB THR A 11 9.919 -2.253 18.168 1.00 73.01 H new ATOM 0 HG1 THR A 11 8.081 -0.806 18.465 1.00 52.41 H new ATOM 0 HG21 THR A 11 10.222 -0.001 19.124 1.00 72.00 H new ATOM 0 HG22 THR A 11 11.618 -0.501 18.140 1.00 72.00 H new ATOM 0 HG23 THR A 11 10.437 0.659 17.485 1.00 72.00 H new ATOM 176 N LEU A 12 8.972 -0.549 14.364 1.00 22.54 N ATOM 177 CA LEU A 12 8.800 0.451 13.314 1.00 62.11 C ATOM 178 C LEU A 12 8.097 1.699 13.849 1.00 34.51 C ATOM 179 O LEU A 12 6.865 1.777 13.862 1.00 43.34 O ATOM 180 CB LEU A 12 8.014 -0.146 12.138 1.00 11.23 C ATOM 181 CG LEU A 12 7.914 0.744 10.887 1.00 24.43 C ATOM 182 CD1 LEU A 12 9.304 1.076 10.349 1.00 42.10 C ATOM 183 CD2 LEU A 12 7.063 0.071 9.812 1.00 31.23 C ATOM 0 H LEU A 12 8.219 -1.234 14.421 1.00 22.54 H new ATOM 0 HA LEU A 12 9.788 0.749 12.963 1.00 62.11 H new ATOM 0 HB2 LEU A 12 8.480 -1.090 11.855 1.00 11.23 H new ATOM 0 HB3 LEU A 12 7.005 -0.378 12.479 1.00 11.23 H new ATOM 0 HG LEU A 12 7.427 1.677 11.170 1.00 24.43 H new ATOM 0 HD11 LEU A 12 9.211 1.706 9.464 1.00 42.10 H new ATOM 0 HD12 LEU A 12 9.873 1.605 11.113 1.00 42.10 H new ATOM 0 HD13 LEU A 12 9.822 0.154 10.085 1.00 42.10 H new ATOM 0 HD21 LEU A 12 7.005 0.717 8.936 1.00 31.23 H new ATOM 0 HD22 LEU A 12 7.516 -0.880 9.532 1.00 31.23 H new ATOM 0 HD23 LEU A 12 6.060 -0.105 10.200 1.00 31.23 H new ATOM 195 N GLU A 13 8.893 2.655 14.313 1.00 35.12 N ATOM 196 CA GLU A 13 8.394 3.950 14.775 1.00 23.31 C ATOM 197 C GLU A 13 9.303 5.059 14.256 1.00 21.23 C ATOM 198 O GLU A 13 10.324 4.785 13.619 1.00 72.34 O ATOM 199 CB GLU A 13 8.357 4.017 16.312 1.00 63.35 C ATOM 200 CG GLU A 13 7.480 2.968 16.982 1.00 23.44 C ATOM 201 CD GLU A 13 7.382 3.181 18.486 1.00 4.34 C ATOM 202 OE1 GLU A 13 8.376 2.915 19.197 1.00 35.01 O ATOM 203 OE2 GLU A 13 6.320 3.635 18.962 1.00 23.13 O ATOM 0 H GLU A 13 9.906 2.556 14.381 1.00 35.12 H new ATOM 0 HA GLU A 13 7.380 4.077 14.395 1.00 23.31 H new ATOM 0 HB2 GLU A 13 9.374 3.913 16.690 1.00 63.35 H new ATOM 0 HB3 GLU A 13 8.006 5.005 16.609 1.00 63.35 H new ATOM 0 HG2 GLU A 13 6.481 2.998 16.546 1.00 23.44 H new ATOM 0 HG3 GLU A 13 7.885 1.976 16.782 1.00 23.44 H new ATOM 210 N ALA A 14 8.937 6.307 14.531 1.00 13.42 N ATOM 211 CA ALA A 14 9.807 7.438 14.233 1.00 40.13 C ATOM 212 C ALA A 14 10.991 7.418 15.200 1.00 63.13 C ATOM 213 O ALA A 14 10.948 8.029 16.272 1.00 61.23 O ATOM 214 CB ALA A 14 9.038 8.754 14.323 1.00 34.44 C ATOM 0 H ALA A 14 8.046 6.560 14.959 1.00 13.42 H new ATOM 0 HA ALA A 14 10.179 7.355 13.212 1.00 40.13 H new ATOM 0 HB1 ALA A 14 9.708 9.583 14.097 1.00 34.44 H new ATOM 0 HB2 ALA A 14 8.217 8.745 13.606 1.00 34.44 H new ATOM 0 HB3 ALA A 14 8.639 8.874 15.330 1.00 34.44 H new ATOM 220 N GLN A 15 12.015 6.653 14.833 1.00 13.42 N ATOM 221 CA GLN A 15 13.176 6.427 15.691 1.00 53.12 C ATOM 222 C GLN A 15 14.197 7.556 15.564 1.00 13.33 C ATOM 223 O GLN A 15 14.087 8.417 14.689 1.00 62.51 O ATOM 224 CB GLN A 15 13.841 5.088 15.330 1.00 34.53 C ATOM 225 CG GLN A 15 12.925 3.870 15.466 1.00 73.25 C ATOM 226 CD GLN A 15 12.590 3.519 16.910 1.00 62.53 C ATOM 227 OE1 GLN A 15 12.528 4.385 17.783 1.00 32.04 O ATOM 228 NE2 GLN A 15 12.371 2.242 17.172 1.00 41.32 N ATOM 0 H GLN A 15 12.064 6.173 13.934 1.00 13.42 H new ATOM 0 HA GLN A 15 12.827 6.401 16.723 1.00 53.12 H new ATOM 0 HB2 GLN A 15 14.204 5.142 14.304 1.00 34.53 H new ATOM 0 HB3 GLN A 15 14.712 4.945 15.969 1.00 34.53 H new ATOM 0 HG2 GLN A 15 11.999 4.059 14.922 1.00 73.25 H new ATOM 0 HG3 GLN A 15 13.403 3.012 14.993 1.00 73.25 H new ATOM 0 HE21 GLN A 15 12.431 1.551 16.425 1.00 41.32 H new ATOM 0 HE22 GLN A 15 12.142 1.948 18.122 1.00 41.32 H new ATOM 237 N THR A 16 15.203 7.521 16.431 1.00 65.30 N ATOM 238 CA THR A 16 16.297 8.488 16.411 1.00 45.22 C ATOM 239 C THR A 16 17.439 7.966 15.525 1.00 75.21 C ATOM 240 O THR A 16 18.608 8.320 15.693 1.00 12.41 O ATOM 241 CB THR A 16 16.796 8.757 17.854 1.00 52.03 C ATOM 242 OG1 THR A 16 15.663 8.964 18.714 1.00 22.14 O ATOM 243 CG2 THR A 16 17.706 9.985 17.924 1.00 64.52 C ATOM 0 H THR A 16 15.284 6.821 17.169 1.00 65.30 H new ATOM 0 HA THR A 16 15.938 9.429 15.993 1.00 45.22 H new ATOM 0 HB THR A 16 17.374 7.890 18.175 1.00 52.03 H new ATOM 0 HG1 THR A 16 15.973 9.133 19.628 1.00 22.14 H new ATOM 0 HG21 THR A 16 18.033 10.137 18.953 1.00 64.52 H new ATOM 0 HG22 THR A 16 18.576 9.830 17.286 1.00 64.52 H new ATOM 0 HG23 THR A 16 17.158 10.864 17.583 1.00 64.52 H new ATOM 251 N GLN A 17 17.070 7.118 14.568 1.00 73.35 N ATOM 252 CA GLN A 17 18.006 6.556 13.604 1.00 42.03 C ATOM 253 C GLN A 17 17.244 6.038 12.381 1.00 4.40 C ATOM 254 O GLN A 17 16.490 5.069 12.469 1.00 50.34 O ATOM 255 CB GLN A 17 18.848 5.434 14.244 1.00 63.55 C ATOM 256 CG GLN A 17 18.039 4.427 15.060 1.00 3.52 C ATOM 257 CD GLN A 17 18.893 3.291 15.601 1.00 32.21 C ATOM 258 OE1 GLN A 17 20.092 3.455 15.836 1.00 24.40 O ATOM 259 NE2 GLN A 17 18.284 2.138 15.823 1.00 1.13 N ATOM 0 H GLN A 17 16.109 6.801 14.441 1.00 73.35 H new ATOM 0 HA GLN A 17 18.691 7.340 13.283 1.00 42.03 H new ATOM 0 HB2 GLN A 17 19.380 4.901 13.456 1.00 63.55 H new ATOM 0 HB3 GLN A 17 19.602 5.885 14.890 1.00 63.55 H new ATOM 0 HG2 GLN A 17 17.557 4.942 15.891 1.00 3.52 H new ATOM 0 HG3 GLN A 17 17.245 4.015 14.437 1.00 3.52 H new ATOM 0 HE21 GLN A 17 17.290 2.038 15.617 1.00 1.13 H new ATOM 0 HE22 GLN A 17 18.808 1.349 16.201 1.00 1.13 H new ATOM 268 N GLY A 18 17.424 6.715 11.250 1.00 43.13 N ATOM 269 CA GLY A 18 16.744 6.339 10.021 1.00 64.33 C ATOM 270 C GLY A 18 15.909 7.480 9.466 1.00 31.10 C ATOM 271 O GLY A 18 15.849 8.550 10.073 1.00 71.32 O ATOM 0 H GLY A 18 18.036 7.526 11.163 1.00 43.13 H new ATOM 0 HA2 GLY A 18 17.480 6.032 9.278 1.00 64.33 H new ATOM 0 HA3 GLY A 18 16.103 5.478 10.209 1.00 64.33 H new ATOM 275 N PRO A 19 15.261 7.286 8.304 1.00 33.35 N ATOM 276 CA PRO A 19 14.418 8.310 7.677 1.00 13.14 C ATOM 277 C PRO A 19 12.967 8.252 8.164 1.00 14.54 C ATOM 278 O PRO A 19 12.073 8.860 7.569 1.00 31.14 O ATOM 279 CB PRO A 19 14.512 7.932 6.196 1.00 62.40 C ATOM 280 CG PRO A 19 14.612 6.440 6.202 1.00 23.00 C ATOM 281 CD PRO A 19 15.314 6.054 7.488 1.00 1.30 C ATOM 0 HA PRO A 19 14.740 9.326 7.906 1.00 13.14 H new ATOM 0 HB2 PRO A 19 13.636 8.270 5.643 1.00 62.40 H new ATOM 0 HB3 PRO A 19 15.382 8.387 5.724 1.00 62.40 H new ATOM 0 HG2 PRO A 19 13.622 5.986 6.150 1.00 23.00 H new ATOM 0 HG3 PRO A 19 15.171 6.086 5.335 1.00 23.00 H new ATOM 0 HD2 PRO A 19 14.811 5.224 7.984 1.00 1.30 H new ATOM 0 HD3 PRO A 19 16.342 5.740 7.304 1.00 1.30 H new ATOM 289 N GLY A 20 12.743 7.519 9.250 1.00 74.25 N ATOM 290 CA GLY A 20 11.405 7.355 9.789 1.00 42.12 C ATOM 291 C GLY A 20 10.746 6.087 9.285 1.00 50.41 C ATOM 292 O GLY A 20 11.400 5.254 8.653 1.00 14.50 O ATOM 0 H GLY A 20 13.472 7.031 9.771 1.00 74.25 H new ATOM 0 HA2 GLY A 20 11.452 7.332 10.878 1.00 42.12 H new ATOM 0 HA3 GLY A 20 10.795 8.215 9.515 1.00 42.12 H new ATOM 296 N SER A 21 9.456 5.942 9.560 1.00 10.21 N ATOM 297 CA SER A 21 8.701 4.769 9.145 1.00 73.34 C ATOM 298 C SER A 21 8.230 4.910 7.697 1.00 43.13 C ATOM 299 O SER A 21 7.482 5.839 7.366 1.00 24.44 O ATOM 300 CB SER A 21 7.507 4.581 10.093 1.00 74.41 C ATOM 301 OG SER A 21 6.893 5.831 10.383 1.00 41.44 O ATOM 0 H SER A 21 8.907 6.631 10.074 1.00 10.21 H new ATOM 0 HA SER A 21 9.343 3.890 9.196 1.00 73.34 H new ATOM 0 HB2 SER A 21 6.778 3.909 9.639 1.00 74.41 H new ATOM 0 HB3 SER A 21 7.841 4.111 11.018 1.00 74.41 H new ATOM 0 HG SER A 21 5.919 5.733 10.347 1.00 41.44 H new ATOM 307 N MET A 22 8.684 4.005 6.832 1.00 53.23 N ATOM 308 CA MET A 22 8.248 3.989 5.439 1.00 11.12 C ATOM 309 C MET A 22 6.864 3.359 5.352 1.00 24.33 C ATOM 310 O MET A 22 5.953 3.915 4.735 1.00 35.02 O ATOM 311 CB MET A 22 9.233 3.205 4.563 1.00 22.23 C ATOM 312 CG MET A 22 10.633 3.808 4.476 1.00 11.34 C ATOM 313 SD MET A 22 10.837 4.947 3.082 1.00 41.34 S ATOM 314 CE MET A 22 9.891 6.369 3.609 1.00 55.12 C ATOM 0 H MET A 22 9.353 3.274 7.072 1.00 53.23 H new ATOM 0 HA MET A 22 8.212 5.015 5.073 1.00 11.12 H new ATOM 0 HB2 MET A 22 9.314 2.190 4.951 1.00 22.23 H new ATOM 0 HB3 MET A 22 8.822 3.130 3.556 1.00 22.23 H new ATOM 0 HG2 MET A 22 10.851 4.337 5.404 1.00 11.34 H new ATOM 0 HG3 MET A 22 11.363 3.003 4.389 1.00 11.34 H new ATOM 0 HE1 MET A 22 10.313 7.271 3.166 1.00 55.12 H new ATOM 0 HE2 MET A 22 8.856 6.257 3.287 1.00 55.12 H new ATOM 0 HE3 MET A 22 9.927 6.448 4.696 1.00 55.12 H new ATOM 324 N ILE A 23 6.713 2.198 5.990 1.00 72.23 N ATOM 325 CA ILE A 23 5.424 1.517 6.057 1.00 53.11 C ATOM 326 C ILE A 23 4.610 2.129 7.194 1.00 1.12 C ATOM 327 O ILE A 23 4.586 1.607 8.317 1.00 20.24 O ATOM 328 CB ILE A 23 5.564 -0.016 6.289 1.00 32.02 C ATOM 329 CG1 ILE A 23 6.828 -0.576 5.606 1.00 12.11 C ATOM 330 CG2 ILE A 23 4.320 -0.739 5.780 1.00 2.44 C ATOM 331 CD1 ILE A 23 6.912 -0.319 4.117 1.00 62.13 C ATOM 0 H ILE A 23 7.471 1.710 6.468 1.00 72.23 H new ATOM 0 HA ILE A 23 4.926 1.650 5.097 1.00 53.11 H new ATOM 0 HB ILE A 23 5.663 -0.187 7.361 1.00 32.02 H new ATOM 0 HG12 ILE A 23 7.705 -0.142 6.085 1.00 12.11 H new ATOM 0 HG13 ILE A 23 6.870 -1.652 5.778 1.00 12.11 H new ATOM 0 HG21 ILE A 23 4.428 -1.811 5.947 1.00 2.44 H new ATOM 0 HG22 ILE A 23 3.443 -0.375 6.315 1.00 2.44 H new ATOM 0 HG23 ILE A 23 4.199 -0.548 4.714 1.00 2.44 H new ATOM 0 HD11 ILE A 23 7.834 -0.749 3.725 1.00 62.13 H new ATOM 0 HD12 ILE A 23 6.057 -0.778 3.620 1.00 62.13 H new ATOM 0 HD13 ILE A 23 6.905 0.755 3.932 1.00 62.13 H new ATOM 343 N GLU A 24 3.977 3.255 6.906 1.00 55.24 N ATOM 344 CA GLU A 24 3.335 4.066 7.933 1.00 21.31 C ATOM 345 C GLU A 24 2.097 3.376 8.511 1.00 44.11 C ATOM 346 O GLU A 24 1.551 2.446 7.915 1.00 60.34 O ATOM 347 CB GLU A 24 2.969 5.438 7.354 1.00 42.12 C ATOM 348 CG GLU A 24 2.560 6.465 8.402 1.00 23.25 C ATOM 349 CD GLU A 24 3.678 6.759 9.389 1.00 41.04 C ATOM 350 OE1 GLU A 24 3.870 5.963 10.334 1.00 12.12 O ATOM 351 OE2 GLU A 24 4.377 7.782 9.209 1.00 13.05 O ATOM 0 H GLU A 24 3.893 3.632 5.962 1.00 55.24 H new ATOM 0 HA GLU A 24 4.041 4.197 8.753 1.00 21.31 H new ATOM 0 HB2 GLU A 24 3.822 5.824 6.795 1.00 42.12 H new ATOM 0 HB3 GLU A 24 2.152 5.314 6.643 1.00 42.12 H new ATOM 0 HG2 GLU A 24 2.264 7.389 7.906 1.00 23.25 H new ATOM 0 HG3 GLU A 24 1.687 6.100 8.943 1.00 23.25 H new ATOM 358 N GLN A 25 1.669 3.833 9.686 1.00 43.03 N ATOM 359 CA GLN A 25 0.487 3.288 10.354 1.00 50.20 C ATOM 360 C GLN A 25 -0.748 4.144 10.063 1.00 74.35 C ATOM 361 O GLN A 25 -0.663 5.374 10.035 1.00 64.25 O ATOM 362 CB GLN A 25 0.738 3.182 11.875 1.00 74.13 C ATOM 363 CG GLN A 25 1.272 4.463 12.537 1.00 13.02 C ATOM 364 CD GLN A 25 0.211 5.530 12.802 1.00 42.13 C ATOM 365 OE1 GLN A 25 0.494 6.730 12.759 1.00 55.42 O ATOM 366 NE2 GLN A 25 -1.008 5.107 13.109 1.00 3.51 N ATOM 0 H GLN A 25 2.127 4.586 10.199 1.00 43.03 H new ATOM 0 HA GLN A 25 0.298 2.288 9.963 1.00 50.20 H new ATOM 0 HB2 GLN A 25 -0.195 2.901 12.363 1.00 74.13 H new ATOM 0 HB3 GLN A 25 1.448 2.375 12.055 1.00 74.13 H new ATOM 0 HG2 GLN A 25 1.746 4.198 13.482 1.00 13.02 H new ATOM 0 HG3 GLN A 25 2.047 4.890 11.900 1.00 13.02 H new ATOM 0 HE21 GLN A 25 -1.209 4.107 13.136 1.00 3.51 H new ATOM 0 HE22 GLN A 25 -1.744 5.781 13.318 1.00 3.51 H new ATOM 375 N ILE A 26 -1.885 3.486 9.818 1.00 51.01 N ATOM 376 CA ILE A 26 -3.167 4.179 9.636 1.00 25.12 C ATOM 377 C ILE A 26 -4.334 3.321 10.131 1.00 71.02 C ATOM 378 O ILE A 26 -4.171 2.134 10.438 1.00 71.42 O ATOM 379 CB ILE A 26 -3.447 4.556 8.149 1.00 14.52 C ATOM 380 CG1 ILE A 26 -3.416 3.309 7.245 1.00 25.43 C ATOM 381 CG2 ILE A 26 -2.470 5.616 7.649 1.00 1.41 C ATOM 382 CD1 ILE A 26 -3.820 3.585 5.808 1.00 61.54 C ATOM 0 H ILE A 26 -1.945 2.471 9.741 1.00 51.01 H new ATOM 0 HA ILE A 26 -3.087 5.094 10.222 1.00 25.12 H new ATOM 0 HB ILE A 26 -4.449 4.981 8.102 1.00 14.52 H new ATOM 0 HG12 ILE A 26 -2.410 2.889 7.256 1.00 25.43 H new ATOM 0 HG13 ILE A 26 -4.082 2.553 7.661 1.00 25.43 H new ATOM 0 HG21 ILE A 26 -2.694 5.855 6.609 1.00 1.41 H new ATOM 0 HG22 ILE A 26 -2.566 6.515 8.257 1.00 1.41 H new ATOM 0 HG23 ILE A 26 -1.451 5.236 7.723 1.00 1.41 H new ATOM 0 HD11 ILE A 26 -3.774 2.660 5.233 1.00 61.54 H new ATOM 0 HD12 ILE A 26 -4.837 3.976 5.785 1.00 61.54 H new ATOM 0 HD13 ILE A 26 -3.140 4.317 5.373 1.00 61.54 H new ATOM 394 N GLY A 27 -5.502 3.948 10.219 1.00 2.04 N ATOM 395 CA GLY A 27 -6.748 3.243 10.458 1.00 53.41 C ATOM 396 C GLY A 27 -7.773 3.639 9.416 1.00 13.32 C ATOM 397 O GLY A 27 -7.410 4.221 8.390 1.00 22.33 O ATOM 0 H GLY A 27 -5.608 4.958 10.126 1.00 2.04 H new ATOM 0 HA2 GLY A 27 -6.579 2.167 10.424 1.00 53.41 H new ATOM 0 HA3 GLY A 27 -7.122 3.475 11.455 1.00 53.41 H new ATOM 401 N ASP A 28 -9.045 3.351 9.665 1.00 21.34 N ATOM 402 CA ASP A 28 -10.109 3.713 8.723 1.00 45.03 C ATOM 403 C ASP A 28 -10.196 5.230 8.580 1.00 52.32 C ATOM 404 O ASP A 28 -10.383 5.757 7.480 1.00 62.44 O ATOM 405 CB ASP A 28 -11.462 3.151 9.185 1.00 75.31 C ATOM 406 CG ASP A 28 -12.619 3.572 8.283 1.00 41.12 C ATOM 407 OD1 ASP A 28 -12.887 2.881 7.277 1.00 23.14 O ATOM 408 OD2 ASP A 28 -13.279 4.588 8.582 1.00 13.35 O ATOM 0 H ASP A 28 -9.368 2.871 10.505 1.00 21.34 H new ATOM 0 HA ASP A 28 -9.867 3.278 7.753 1.00 45.03 H new ATOM 0 HB2 ASP A 28 -11.407 2.063 9.213 1.00 75.31 H new ATOM 0 HB3 ASP A 28 -11.661 3.487 10.203 1.00 75.31 H new ATOM 413 N SER A 29 -10.036 5.921 9.701 1.00 72.14 N ATOM 414 CA SER A 29 -10.129 7.372 9.748 1.00 64.35 C ATOM 415 C SER A 29 -9.018 8.038 8.929 1.00 53.13 C ATOM 416 O SER A 29 -9.249 9.053 8.264 1.00 61.33 O ATOM 417 CB SER A 29 -10.085 7.827 11.213 1.00 2.22 C ATOM 418 OG SER A 29 -9.269 6.960 11.987 1.00 70.11 O ATOM 0 H SER A 29 -9.838 5.490 10.604 1.00 72.14 H new ATOM 0 HA SER A 29 -11.074 7.680 9.300 1.00 64.35 H new ATOM 0 HB2 SER A 29 -9.699 8.845 11.271 1.00 2.22 H new ATOM 0 HB3 SER A 29 -11.095 7.845 11.623 1.00 2.22 H new ATOM 0 HG SER A 29 -9.253 7.269 12.917 1.00 70.11 H new ATOM 424 N GLU A 30 -7.816 7.466 8.975 1.00 25.12 N ATOM 425 CA GLU A 30 -6.672 8.014 8.241 1.00 12.50 C ATOM 426 C GLU A 30 -6.672 7.531 6.794 1.00 33.11 C ATOM 427 O GLU A 30 -6.180 8.226 5.906 1.00 10.25 O ATOM 428 CB GLU A 30 -5.339 7.618 8.904 1.00 24.23 C ATOM 429 CG GLU A 30 -5.138 8.165 10.317 1.00 64.21 C ATOM 430 CD GLU A 30 -6.150 7.627 11.313 1.00 42.44 C ATOM 431 OE1 GLU A 30 -6.489 6.429 11.225 1.00 4.15 O ATOM 432 OE2 GLU A 30 -6.624 8.401 12.172 1.00 53.43 O ATOM 0 H GLU A 30 -7.607 6.624 9.512 1.00 25.12 H new ATOM 0 HA GLU A 30 -6.769 9.099 8.261 1.00 12.50 H new ATOM 0 HB2 GLU A 30 -5.276 6.530 8.938 1.00 24.23 H new ATOM 0 HB3 GLU A 30 -4.519 7.965 8.275 1.00 24.23 H new ATOM 0 HG2 GLU A 30 -4.133 7.915 10.658 1.00 64.21 H new ATOM 0 HG3 GLU A 30 -5.204 9.253 10.292 1.00 64.21 H new ATOM 439 N PHE A 31 -7.226 6.340 6.573 1.00 15.24 N ATOM 440 CA PHE A 31 -7.226 5.699 5.256 1.00 24.10 C ATOM 441 C PHE A 31 -7.666 6.673 4.160 1.00 52.03 C ATOM 442 O PHE A 31 -6.891 6.998 3.251 1.00 41.32 O ATOM 443 CB PHE A 31 -8.150 4.472 5.288 1.00 4.31 C ATOM 444 CG PHE A 31 -8.272 3.742 3.970 1.00 61.21 C ATOM 445 CD1 PHE A 31 -7.280 2.866 3.548 1.00 33.13 C ATOM 446 CD2 PHE A 31 -9.386 3.925 3.160 1.00 51.11 C ATOM 447 CE1 PHE A 31 -7.398 2.192 2.348 1.00 63.33 C ATOM 448 CE2 PHE A 31 -9.505 3.254 1.959 1.00 13.51 C ATOM 449 CZ PHE A 31 -8.512 2.387 1.553 1.00 24.11 C ATOM 0 H PHE A 31 -7.687 5.792 7.299 1.00 15.24 H new ATOM 0 HA PHE A 31 -6.209 5.384 5.023 1.00 24.10 H new ATOM 0 HB2 PHE A 31 -7.782 3.776 6.041 1.00 4.31 H new ATOM 0 HB3 PHE A 31 -9.143 4.790 5.606 1.00 4.31 H new ATOM 0 HD1 PHE A 31 -6.407 2.710 4.165 1.00 33.13 H new ATOM 0 HD2 PHE A 31 -10.168 4.600 3.474 1.00 51.11 H new ATOM 0 HE1 PHE A 31 -6.620 1.513 2.031 1.00 63.33 H new ATOM 0 HE2 PHE A 31 -10.375 3.408 1.338 1.00 13.51 H new ATOM 0 HZ PHE A 31 -8.605 1.861 0.614 1.00 24.11 H new ATOM 459 N ASP A 32 -8.898 7.159 4.276 1.00 75.15 N ATOM 460 CA ASP A 32 -9.473 8.066 3.284 1.00 52.41 C ATOM 461 C ASP A 32 -8.590 9.299 3.095 1.00 23.43 C ATOM 462 O ASP A 32 -8.311 9.706 1.969 1.00 61.12 O ATOM 463 CB ASP A 32 -10.888 8.493 3.698 1.00 51.52 C ATOM 464 CG ASP A 32 -11.866 7.329 3.736 1.00 3.14 C ATOM 465 OD1 ASP A 32 -12.459 7.003 2.680 1.00 31.22 O ATOM 466 OD2 ASP A 32 -12.057 6.736 4.821 1.00 73.33 O ATOM 0 H ASP A 32 -9.522 6.939 5.052 1.00 75.15 H new ATOM 0 HA ASP A 32 -9.530 7.532 2.336 1.00 52.41 H new ATOM 0 HB2 ASP A 32 -10.848 8.961 4.682 1.00 51.52 H new ATOM 0 HB3 ASP A 32 -11.254 9.247 3.001 1.00 51.52 H new ATOM 471 N ASN A 33 -8.138 9.869 4.209 1.00 2.24 N ATOM 472 CA ASN A 33 -7.313 11.081 4.186 1.00 73.04 C ATOM 473 C ASN A 33 -6.037 10.865 3.377 1.00 21.42 C ATOM 474 O ASN A 33 -5.746 11.616 2.445 1.00 54.53 O ATOM 475 CB ASN A 33 -6.947 11.514 5.617 1.00 65.43 C ATOM 476 CG ASN A 33 -8.137 12.030 6.408 1.00 42.34 C ATOM 477 OD1 ASN A 33 -9.279 11.628 6.178 1.00 53.31 O ATOM 478 ND2 ASN A 33 -7.878 12.923 7.352 1.00 2.05 N ATOM 0 H ASN A 33 -8.329 9.511 5.145 1.00 2.24 H new ATOM 0 HA ASN A 33 -7.899 11.868 3.710 1.00 73.04 H new ATOM 0 HB2 ASN A 33 -6.507 10.668 6.145 1.00 65.43 H new ATOM 0 HB3 ASN A 33 -6.185 12.292 5.571 1.00 65.43 H new ATOM 0 HD21 ASN A 33 -8.637 13.302 7.918 1.00 2.05 H new ATOM 0 HD22 ASN A 33 -6.919 13.232 7.513 1.00 2.05 H new ATOM 485 N LYS A 34 -5.292 9.826 3.730 1.00 41.04 N ATOM 486 CA LYS A 34 -4.000 9.554 3.107 1.00 60.53 C ATOM 487 C LYS A 34 -4.164 9.207 1.630 1.00 44.40 C ATOM 488 O LYS A 34 -3.361 9.617 0.795 1.00 15.20 O ATOM 489 CB LYS A 34 -3.293 8.406 3.838 1.00 50.31 C ATOM 490 CG LYS A 34 -2.998 8.691 5.310 1.00 70.21 C ATOM 491 CD LYS A 34 -2.008 9.843 5.485 1.00 15.34 C ATOM 492 CE LYS A 34 -1.700 10.098 6.956 1.00 64.32 C ATOM 493 NZ LYS A 34 -0.680 11.165 7.137 1.00 32.12 N ATOM 0 H LYS A 34 -5.561 9.153 4.448 1.00 41.04 H new ATOM 0 HA LYS A 34 -3.393 10.456 3.181 1.00 60.53 H new ATOM 0 HB2 LYS A 34 -3.911 7.511 3.769 1.00 50.31 H new ATOM 0 HB3 LYS A 34 -2.356 8.187 3.327 1.00 50.31 H new ATOM 0 HG2 LYS A 34 -3.928 8.931 5.826 1.00 70.21 H new ATOM 0 HG3 LYS A 34 -2.596 7.793 5.779 1.00 70.21 H new ATOM 0 HD2 LYS A 34 -1.084 9.614 4.953 1.00 15.34 H new ATOM 0 HD3 LYS A 34 -2.418 10.748 5.036 1.00 15.34 H new ATOM 0 HE2 LYS A 34 -2.616 10.381 7.474 1.00 64.32 H new ATOM 0 HE3 LYS A 34 -1.345 9.176 7.417 1.00 64.32 H new ATOM 0 HZ1 LYS A 34 -0.501 11.306 8.152 1.00 32.12 H new ATOM 0 HZ2 LYS A 34 0.203 10.884 6.665 1.00 32.12 H new ATOM 0 HZ3 LYS A 34 -1.028 12.052 6.721 1.00 32.12 H new ATOM 507 N VAL A 35 -5.213 8.457 1.314 1.00 1.13 N ATOM 508 CA VAL A 35 -5.430 7.988 -0.049 1.00 34.34 C ATOM 509 C VAL A 35 -5.880 9.114 -0.987 1.00 13.32 C ATOM 510 O VAL A 35 -5.412 9.199 -2.124 1.00 73.22 O ATOM 511 CB VAL A 35 -6.451 6.826 -0.082 1.00 72.54 C ATOM 512 CG1 VAL A 35 -6.851 6.485 -1.517 1.00 23.04 C ATOM 513 CG2 VAL A 35 -5.870 5.603 0.628 1.00 54.30 C ATOM 0 H VAL A 35 -5.925 8.161 1.982 1.00 1.13 H new ATOM 0 HA VAL A 35 -4.468 7.623 -0.410 1.00 34.34 H new ATOM 0 HB VAL A 35 -7.353 7.141 0.443 1.00 72.54 H new ATOM 0 HG11 VAL A 35 -7.569 5.665 -1.509 1.00 23.04 H new ATOM 0 HG12 VAL A 35 -7.303 7.359 -1.986 1.00 23.04 H new ATOM 0 HG13 VAL A 35 -5.967 6.187 -2.080 1.00 23.04 H new ATOM 0 HG21 VAL A 35 -6.594 4.789 0.601 1.00 54.30 H new ATOM 0 HG22 VAL A 35 -4.954 5.291 0.125 1.00 54.30 H new ATOM 0 HG23 VAL A 35 -5.647 5.856 1.664 1.00 54.30 H new ATOM 523 N THR A 36 -6.778 9.974 -0.519 1.00 35.30 N ATOM 524 CA THR A 36 -7.345 11.020 -1.366 1.00 55.03 C ATOM 525 C THR A 36 -6.472 12.278 -1.391 1.00 42.32 C ATOM 526 O THR A 36 -6.208 12.846 -2.455 1.00 14.12 O ATOM 527 CB THR A 36 -8.770 11.397 -0.901 1.00 43.12 C ATOM 528 OG1 THR A 36 -8.735 11.832 0.466 1.00 51.04 O ATOM 529 CG2 THR A 36 -9.723 10.212 -1.036 1.00 10.43 C ATOM 0 H THR A 36 -7.129 9.969 0.439 1.00 35.30 H new ATOM 0 HA THR A 36 -7.387 10.612 -2.376 1.00 55.03 H new ATOM 0 HB THR A 36 -9.133 12.205 -1.536 1.00 43.12 H new ATOM 0 HG1 THR A 36 -8.660 11.053 1.055 1.00 51.04 H new ATOM 0 HG21 THR A 36 -10.718 10.506 -0.702 1.00 10.43 H new ATOM 0 HG22 THR A 36 -9.768 9.898 -2.079 1.00 10.43 H new ATOM 0 HG23 THR A 36 -9.364 9.385 -0.424 1.00 10.43 H new ATOM 537 N SER A 37 -6.016 12.701 -0.217 1.00 15.33 N ATOM 538 CA SER A 37 -5.316 13.977 -0.065 1.00 44.43 C ATOM 539 C SER A 37 -3.809 13.844 -0.328 1.00 12.14 C ATOM 540 O SER A 37 -3.047 14.783 -0.075 1.00 34.34 O ATOM 541 CB SER A 37 -5.574 14.531 1.347 1.00 73.44 C ATOM 542 OG SER A 37 -5.063 15.847 1.503 1.00 51.04 O ATOM 0 H SER A 37 -6.119 12.176 0.651 1.00 15.33 H new ATOM 0 HA SER A 37 -5.705 14.671 -0.810 1.00 44.43 H new ATOM 0 HB2 SER A 37 -6.646 14.532 1.546 1.00 73.44 H new ATOM 0 HB3 SER A 37 -5.114 13.873 2.084 1.00 73.44 H new ATOM 0 HG SER A 37 -4.228 15.936 0.998 1.00 51.04 H new ATOM 548 N CYS A 38 -3.379 12.696 -0.853 1.00 4.45 N ATOM 549 CA CYS A 38 -1.965 12.475 -1.152 1.00 52.31 C ATOM 550 C CYS A 38 -1.515 13.309 -2.353 1.00 1.42 C ATOM 551 O CYS A 38 -1.480 12.821 -3.485 1.00 4.31 O ATOM 552 CB CYS A 38 -1.683 10.996 -1.401 1.00 50.01 C ATOM 553 SG CYS A 38 -2.807 10.212 -2.579 1.00 71.32 S ATOM 0 H CYS A 38 -3.987 11.909 -1.079 1.00 4.45 H new ATOM 0 HA CYS A 38 -1.393 12.795 -0.281 1.00 52.31 H new ATOM 0 HB2 CYS A 38 -0.661 10.889 -1.766 1.00 50.01 H new ATOM 0 HB3 CYS A 38 -1.740 10.463 -0.452 1.00 50.01 H new ATOM 0 HG CYS A 38 -3.826 9.716 -1.942 1.00 71.32 H new ATOM 559 N ASN A 39 -1.221 14.577 -2.072 1.00 11.01 N ATOM 560 CA ASN A 39 -0.720 15.555 -3.044 1.00 24.33 C ATOM 561 C ASN A 39 -1.212 15.296 -4.479 1.00 50.34 C ATOM 562 O ASN A 39 -2.302 15.735 -4.855 1.00 22.52 O ATOM 563 CB ASN A 39 0.819 15.629 -2.996 1.00 72.34 C ATOM 564 CG ASN A 39 1.398 16.778 -3.817 1.00 11.30 C ATOM 565 OD1 ASN A 39 0.817 17.220 -4.811 1.00 22.14 O ATOM 566 ND2 ASN A 39 2.555 17.269 -3.408 1.00 42.33 N ATOM 0 H ASN A 39 -1.327 14.967 -1.135 1.00 11.01 H new ATOM 0 HA ASN A 39 -1.133 16.520 -2.751 1.00 24.33 H new ATOM 0 HB2 ASN A 39 1.138 15.737 -1.959 1.00 72.34 H new ATOM 0 HB3 ASN A 39 1.232 14.688 -3.360 1.00 72.34 H new ATOM 0 HD21 ASN A 39 2.993 18.036 -3.919 1.00 42.33 H new ATOM 0 HD22 ASN A 39 3.010 16.881 -2.582 1.00 42.33 H new ATOM 573 N ASP A 40 -0.409 14.571 -5.265 1.00 44.02 N ATOM 574 CA ASP A 40 -0.695 14.333 -6.681 1.00 52.11 C ATOM 575 C ASP A 40 0.110 13.143 -7.197 1.00 63.33 C ATOM 576 O ASP A 40 1.311 13.049 -6.944 1.00 30.13 O ATOM 577 CB ASP A 40 -0.358 15.581 -7.513 1.00 74.41 C ATOM 578 CG ASP A 40 -0.397 15.314 -9.011 1.00 31.42 C ATOM 579 OD1 ASP A 40 -1.508 15.170 -9.565 1.00 33.53 O ATOM 580 OD2 ASP A 40 0.679 15.231 -9.640 1.00 64.12 O ATOM 0 H ASP A 40 0.453 14.135 -4.938 1.00 44.02 H new ATOM 0 HA ASP A 40 -1.758 14.113 -6.780 1.00 52.11 H new ATOM 0 HB2 ASP A 40 -1.063 16.376 -7.271 1.00 74.41 H new ATOM 0 HB3 ASP A 40 0.634 15.940 -7.237 1.00 74.41 H new ATOM 585 N ASN A 41 -0.567 12.232 -7.903 1.00 24.42 N ATOM 586 CA ASN A 41 0.068 11.043 -8.495 1.00 14.00 C ATOM 587 C ASN A 41 0.828 10.207 -7.461 1.00 31.13 C ATOM 588 O ASN A 41 1.614 9.327 -7.825 1.00 24.10 O ATOM 589 CB ASN A 41 1.006 11.431 -9.656 1.00 42.40 C ATOM 590 CG ASN A 41 0.265 11.680 -10.962 1.00 64.12 C ATOM 591 OD1 ASN A 41 0.009 10.751 -11.730 1.00 40.21 O ATOM 592 ND2 ASN A 41 -0.069 12.930 -11.234 1.00 41.40 N ATOM 0 H ASN A 41 -1.569 12.295 -8.082 1.00 24.42 H new ATOM 0 HA ASN A 41 -0.741 10.426 -8.885 1.00 14.00 H new ATOM 0 HB2 ASN A 41 1.561 12.328 -9.383 1.00 42.40 H new ATOM 0 HB3 ASN A 41 1.738 10.637 -9.806 1.00 42.40 H new ATOM 0 HD21 ASN A 41 -0.555 13.150 -12.103 1.00 41.40 H new ATOM 0 HD22 ASN A 41 0.159 13.674 -10.574 1.00 41.40 H new ATOM 599 N ILE A 42 0.579 10.461 -6.179 1.00 52.42 N ATOM 600 CA ILE A 42 1.234 9.715 -5.111 1.00 54.44 C ATOM 601 C ILE A 42 0.635 8.316 -5.004 1.00 30.52 C ATOM 602 O ILE A 42 -0.553 8.157 -4.712 1.00 63.42 O ATOM 603 CB ILE A 42 1.115 10.441 -3.745 1.00 4.51 C ATOM 604 CG1 ILE A 42 1.762 11.837 -3.818 1.00 50.40 C ATOM 605 CG2 ILE A 42 1.747 9.609 -2.623 1.00 41.14 C ATOM 606 CD1 ILE A 42 3.234 11.818 -4.182 1.00 52.33 C ATOM 0 H ILE A 42 -0.071 11.177 -5.856 1.00 52.42 H new ATOM 0 HA ILE A 42 2.292 9.643 -5.362 1.00 54.44 H new ATOM 0 HB ILE A 42 0.056 10.563 -3.517 1.00 4.51 H new ATOM 0 HG12 ILE A 42 1.225 12.437 -4.552 1.00 50.40 H new ATOM 0 HG13 ILE A 42 1.643 12.332 -2.854 1.00 50.40 H new ATOM 0 HG21 ILE A 42 1.650 10.141 -1.677 1.00 41.14 H new ATOM 0 HG22 ILE A 42 1.239 8.647 -2.553 1.00 41.14 H new ATOM 0 HG23 ILE A 42 2.803 9.446 -2.841 1.00 41.14 H new ATOM 0 HD11 ILE A 42 3.614 12.839 -4.213 1.00 52.33 H new ATOM 0 HD12 ILE A 42 3.786 11.247 -3.435 1.00 52.33 H new ATOM 0 HD13 ILE A 42 3.361 11.354 -5.160 1.00 52.33 H new ATOM 618 N LEU A 43 1.458 7.314 -5.278 1.00 4.22 N ATOM 619 CA LEU A 43 1.038 5.926 -5.203 1.00 51.32 C ATOM 620 C LEU A 43 0.966 5.461 -3.750 1.00 61.44 C ATOM 621 O LEU A 43 1.987 5.332 -3.061 1.00 73.12 O ATOM 622 CB LEU A 43 1.985 5.027 -6.012 1.00 2.05 C ATOM 623 CG LEU A 43 1.692 3.517 -5.933 1.00 61.21 C ATOM 624 CD1 LEU A 43 0.253 3.203 -6.341 1.00 43.23 C ATOM 625 CD2 LEU A 43 2.683 2.731 -6.789 1.00 30.43 C ATOM 0 H LEU A 43 2.431 7.441 -5.557 1.00 4.22 H new ATOM 0 HA LEU A 43 0.041 5.849 -5.636 1.00 51.32 H new ATOM 0 HB2 LEU A 43 1.944 5.333 -7.057 1.00 2.05 H new ATOM 0 HB3 LEU A 43 3.005 5.200 -5.668 1.00 2.05 H new ATOM 0 HG LEU A 43 1.813 3.209 -4.894 1.00 61.21 H new ATOM 0 HD11 LEU A 43 0.082 2.129 -6.273 1.00 43.23 H new ATOM 0 HD12 LEU A 43 -0.436 3.723 -5.675 1.00 43.23 H new ATOM 0 HD13 LEU A 43 0.085 3.533 -7.366 1.00 43.23 H new ATOM 0 HD21 LEU A 43 2.459 1.666 -6.720 1.00 30.43 H new ATOM 0 HD22 LEU A 43 2.602 3.052 -7.827 1.00 30.43 H new ATOM 0 HD23 LEU A 43 3.697 2.913 -6.432 1.00 30.43 H new ATOM 637 N ILE A 44 -0.259 5.242 -3.295 1.00 25.43 N ATOM 638 CA ILE A 44 -0.531 4.708 -1.973 1.00 24.42 C ATOM 639 C ILE A 44 -0.561 3.184 -2.029 1.00 3.20 C ATOM 640 O ILE A 44 -1.387 2.605 -2.736 1.00 3.30 O ATOM 641 CB ILE A 44 -1.903 5.205 -1.444 1.00 70.04 C ATOM 642 CG1 ILE A 44 -1.971 6.743 -1.438 1.00 44.11 C ATOM 643 CG2 ILE A 44 -2.178 4.644 -0.047 1.00 60.43 C ATOM 644 CD1 ILE A 44 -1.094 7.396 -0.391 1.00 43.10 C ATOM 0 H ILE A 44 -1.099 5.433 -3.841 1.00 25.43 H new ATOM 0 HA ILE A 44 0.258 5.051 -1.304 1.00 24.42 H new ATOM 0 HB ILE A 44 -2.677 4.839 -2.119 1.00 70.04 H new ATOM 0 HG12 ILE A 44 -1.681 7.113 -2.422 1.00 44.11 H new ATOM 0 HG13 ILE A 44 -3.004 7.050 -1.274 1.00 44.11 H new ATOM 0 HG21 ILE A 44 -3.144 5.004 0.306 1.00 60.43 H new ATOM 0 HG22 ILE A 44 -2.190 3.555 -0.088 1.00 60.43 H new ATOM 0 HG23 ILE A 44 -1.396 4.973 0.638 1.00 60.43 H new ATOM 0 HD11 ILE A 44 -1.199 8.479 -0.453 1.00 43.10 H new ATOM 0 HD12 ILE A 44 -1.397 7.058 0.600 1.00 43.10 H new ATOM 0 HD13 ILE A 44 -0.054 7.122 -0.565 1.00 43.10 H new ATOM 656 N LEU A 45 0.346 2.535 -1.316 1.00 4.22 N ATOM 657 CA LEU A 45 0.301 1.085 -1.172 1.00 25.10 C ATOM 658 C LEU A 45 -0.162 0.756 0.238 1.00 33.11 C ATOM 659 O LEU A 45 0.377 1.296 1.198 1.00 1.24 O ATOM 660 CB LEU A 45 1.675 0.438 -1.423 1.00 14.35 C ATOM 661 CG LEU A 45 2.279 0.653 -2.822 1.00 52.51 C ATOM 662 CD1 LEU A 45 2.837 2.065 -2.970 1.00 21.44 C ATOM 663 CD2 LEU A 45 3.357 -0.391 -3.110 1.00 13.24 C ATOM 0 H LEU A 45 1.121 2.986 -0.829 1.00 4.22 H new ATOM 0 HA LEU A 45 -0.390 0.686 -1.915 1.00 25.10 H new ATOM 0 HB2 LEU A 45 2.376 0.824 -0.683 1.00 14.35 H new ATOM 0 HB3 LEU A 45 1.586 -0.634 -1.249 1.00 14.35 H new ATOM 0 HG LEU A 45 1.481 0.532 -3.555 1.00 52.51 H new ATOM 0 HD11 LEU A 45 3.257 2.187 -3.968 1.00 21.44 H new ATOM 0 HD12 LEU A 45 2.037 2.790 -2.822 1.00 21.44 H new ATOM 0 HD13 LEU A 45 3.617 2.228 -2.226 1.00 21.44 H new ATOM 0 HD21 LEU A 45 3.771 -0.222 -4.104 1.00 13.24 H new ATOM 0 HD22 LEU A 45 4.150 -0.309 -2.367 1.00 13.24 H new ATOM 0 HD23 LEU A 45 2.919 -1.388 -3.065 1.00 13.24 H new ATOM 675 N VAL A 46 -1.178 -0.080 0.369 1.00 72.42 N ATOM 676 CA VAL A 46 -1.622 -0.531 1.683 1.00 21.32 C ATOM 677 C VAL A 46 -1.297 -2.006 1.843 1.00 24.44 C ATOM 678 O VAL A 46 -1.984 -2.865 1.286 1.00 74.02 O ATOM 679 CB VAL A 46 -3.142 -0.308 1.889 1.00 43.54 C ATOM 680 CG1 VAL A 46 -3.573 -0.747 3.291 1.00 50.13 C ATOM 681 CG2 VAL A 46 -3.514 1.154 1.636 1.00 20.13 C ATOM 0 H VAL A 46 -1.711 -0.461 -0.413 1.00 72.42 H new ATOM 0 HA VAL A 46 -1.097 0.057 2.436 1.00 21.32 H new ATOM 0 HB VAL A 46 -3.676 -0.924 1.165 1.00 43.54 H new ATOM 0 HG11 VAL A 46 -4.643 -0.581 3.411 1.00 50.13 H new ATOM 0 HG12 VAL A 46 -3.353 -1.806 3.424 1.00 50.13 H new ATOM 0 HG13 VAL A 46 -3.030 -0.167 4.037 1.00 50.13 H new ATOM 0 HG21 VAL A 46 -4.585 1.288 1.786 1.00 20.13 H new ATOM 0 HG22 VAL A 46 -2.968 1.794 2.329 1.00 20.13 H new ATOM 0 HG23 VAL A 46 -3.255 1.424 0.612 1.00 20.13 H new ATOM 691 N ASP A 47 -0.260 -2.286 2.619 1.00 1.22 N ATOM 692 CA ASP A 47 0.243 -3.644 2.795 1.00 24.15 C ATOM 693 C ASP A 47 -0.186 -4.191 4.152 1.00 41.01 C ATOM 694 O ASP A 47 0.221 -3.675 5.197 1.00 12.34 O ATOM 695 CB ASP A 47 1.780 -3.657 2.677 1.00 53.10 C ATOM 696 CG ASP A 47 2.284 -3.212 1.304 1.00 73.04 C ATOM 697 OD1 ASP A 47 1.920 -2.101 0.859 1.00 4.44 O ATOM 698 OD2 ASP A 47 3.042 -3.976 0.664 1.00 60.41 O ATOM 0 H ASP A 47 0.257 -1.581 3.144 1.00 1.22 H new ATOM 0 HA ASP A 47 -0.175 -4.279 2.014 1.00 24.15 H new ATOM 0 HB2 ASP A 47 2.202 -3.004 3.441 1.00 53.10 H new ATOM 0 HB3 ASP A 47 2.145 -4.663 2.882 1.00 53.10 H new ATOM 703 N PHE A 48 -1.029 -5.220 4.133 1.00 32.52 N ATOM 704 CA PHE A 48 -1.469 -5.873 5.363 1.00 35.45 C ATOM 705 C PHE A 48 -0.365 -6.782 5.896 1.00 61.52 C ATOM 706 O PHE A 48 0.232 -7.559 5.146 1.00 71.31 O ATOM 707 CB PHE A 48 -2.764 -6.665 5.134 1.00 24.22 C ATOM 708 CG PHE A 48 -3.945 -5.795 4.775 1.00 51.54 C ATOM 709 CD1 PHE A 48 -4.489 -4.925 5.708 1.00 13.54 C ATOM 710 CD2 PHE A 48 -4.511 -5.847 3.510 1.00 30.12 C ATOM 711 CE1 PHE A 48 -5.569 -4.126 5.387 1.00 72.32 C ATOM 712 CE2 PHE A 48 -5.590 -5.049 3.184 1.00 64.40 C ATOM 713 CZ PHE A 48 -6.120 -4.187 4.124 1.00 0.25 C ATOM 0 H PHE A 48 -1.421 -5.620 3.280 1.00 32.52 H new ATOM 0 HA PHE A 48 -1.679 -5.104 6.106 1.00 35.45 H new ATOM 0 HB2 PHE A 48 -2.601 -7.390 4.337 1.00 24.22 H new ATOM 0 HB3 PHE A 48 -3.000 -7.230 6.036 1.00 24.22 H new ATOM 0 HD1 PHE A 48 -4.062 -4.872 6.699 1.00 13.54 H new ATOM 0 HD2 PHE A 48 -4.103 -6.520 2.770 1.00 30.12 H new ATOM 0 HE1 PHE A 48 -5.982 -3.454 6.125 1.00 72.32 H new ATOM 0 HE2 PHE A 48 -6.019 -5.099 2.194 1.00 64.40 H new ATOM 0 HZ PHE A 48 -6.964 -3.562 3.871 1.00 0.25 H new ATOM 723 N TRP A 49 -0.105 -6.677 7.195 1.00 2.11 N ATOM 724 CA TRP A 49 1.024 -7.355 7.826 1.00 72.10 C ATOM 725 C TRP A 49 0.548 -8.377 8.855 1.00 32.33 C ATOM 726 O TRP A 49 -0.626 -8.393 9.237 1.00 13.45 O ATOM 727 CB TRP A 49 1.933 -6.316 8.504 1.00 41.14 C ATOM 728 CG TRP A 49 1.239 -5.531 9.584 1.00 44.34 C ATOM 729 CD1 TRP A 49 0.322 -4.532 9.413 1.00 14.44 C ATOM 730 CD2 TRP A 49 1.400 -5.686 11.001 1.00 32.42 C ATOM 731 NE1 TRP A 49 -0.099 -4.061 10.633 1.00 34.41 N ATOM 732 CE2 TRP A 49 0.549 -4.750 11.623 1.00 4.43 C ATOM 733 CE3 TRP A 49 2.179 -6.524 11.803 1.00 33.33 C ATOM 734 CZ2 TRP A 49 0.456 -4.633 13.007 1.00 4.22 C ATOM 735 CZ3 TRP A 49 2.086 -6.406 13.178 1.00 61.14 C ATOM 736 CH2 TRP A 49 1.230 -5.466 13.768 1.00 2.14 C ATOM 0 H TRP A 49 -0.668 -6.122 7.839 1.00 2.11 H new ATOM 0 HA TRP A 49 1.582 -7.886 7.055 1.00 72.10 H new ATOM 0 HB2 TRP A 49 2.797 -6.824 8.932 1.00 41.14 H new ATOM 0 HB3 TRP A 49 2.311 -5.626 7.749 1.00 41.14 H new ATOM 0 HD1 TRP A 49 -0.022 -4.166 8.457 1.00 14.44 H new ATOM 0 HE1 TRP A 49 -0.783 -3.319 10.778 1.00 34.41 H new ATOM 0 HE3 TRP A 49 2.842 -7.251 11.357 1.00 33.33 H new ATOM 0 HZ2 TRP A 49 -0.204 -3.910 13.464 1.00 4.22 H new ATOM 0 HZ3 TRP A 49 2.683 -7.049 13.808 1.00 61.14 H new ATOM 0 HH2 TRP A 49 1.180 -5.398 14.845 1.00 2.14 H new ATOM 747 N ALA A 50 1.475 -9.218 9.305 1.00 3.41 N ATOM 748 CA ALA A 50 1.198 -10.222 10.324 1.00 30.21 C ATOM 749 C ALA A 50 2.509 -10.698 10.951 1.00 21.30 C ATOM 750 O ALA A 50 3.446 -11.045 10.233 1.00 23.21 O ATOM 751 CB ALA A 50 0.435 -11.398 9.723 1.00 72.03 C ATOM 0 H ALA A 50 2.439 -9.221 8.972 1.00 3.41 H new ATOM 0 HA ALA A 50 0.577 -9.775 11.100 1.00 30.21 H new ATOM 0 HB1 ALA A 50 0.237 -12.138 10.499 1.00 72.03 H new ATOM 0 HB2 ALA A 50 -0.509 -11.045 9.308 1.00 72.03 H new ATOM 0 HB3 ALA A 50 1.031 -11.853 8.932 1.00 72.03 H new ATOM 757 N PRO A 51 2.595 -10.722 12.298 1.00 25.52 N ATOM 758 CA PRO A 51 3.803 -11.176 13.012 1.00 20.33 C ATOM 759 C PRO A 51 4.100 -12.654 12.745 1.00 52.31 C ATOM 760 O PRO A 51 5.187 -13.153 13.045 1.00 50.42 O ATOM 761 CB PRO A 51 3.458 -10.950 14.497 1.00 52.23 C ATOM 762 CG PRO A 51 2.305 -10.002 14.489 1.00 65.54 C ATOM 763 CD PRO A 51 1.536 -10.306 13.233 1.00 25.24 C ATOM 0 HA PRO A 51 4.696 -10.639 12.691 1.00 20.33 H new ATOM 0 HB2 PRO A 51 3.194 -11.887 14.987 1.00 52.23 H new ATOM 0 HB3 PRO A 51 4.307 -10.534 15.040 1.00 52.23 H new ATOM 0 HG2 PRO A 51 1.681 -10.137 15.372 1.00 65.54 H new ATOM 0 HG3 PRO A 51 2.649 -8.968 14.497 1.00 65.54 H new ATOM 0 HD2 PRO A 51 0.801 -11.095 13.389 1.00 25.24 H new ATOM 0 HD3 PRO A 51 0.994 -9.433 12.869 1.00 25.24 H new ATOM 771 N TRP A 52 3.113 -13.345 12.190 1.00 51.43 N ATOM 772 CA TRP A 52 3.237 -14.754 11.851 1.00 53.20 C ATOM 773 C TRP A 52 3.071 -14.931 10.340 1.00 43.22 C ATOM 774 O TRP A 52 1.984 -15.245 9.851 1.00 62.22 O ATOM 775 CB TRP A 52 2.189 -15.568 12.631 1.00 53.45 C ATOM 776 CG TRP A 52 2.267 -17.051 12.406 1.00 41.51 C ATOM 777 CD1 TRP A 52 3.313 -17.876 12.711 1.00 61.40 C ATOM 778 CD2 TRP A 52 1.248 -17.886 11.844 1.00 3.43 C ATOM 779 NE1 TRP A 52 3.009 -19.168 12.362 1.00 72.21 N ATOM 780 CE2 TRP A 52 1.748 -19.202 11.830 1.00 52.44 C ATOM 781 CE3 TRP A 52 -0.039 -17.649 11.349 1.00 2.24 C ATOM 782 CZ2 TRP A 52 1.009 -20.273 11.341 1.00 40.50 C ATOM 783 CZ3 TRP A 52 -0.773 -18.716 10.864 1.00 51.54 C ATOM 784 CH2 TRP A 52 -0.247 -20.014 10.865 1.00 71.41 C ATOM 0 H TRP A 52 2.204 -12.943 11.963 1.00 51.43 H new ATOM 0 HA TRP A 52 4.225 -15.120 12.131 1.00 53.20 H new ATOM 0 HB2 TRP A 52 2.308 -15.367 13.696 1.00 53.45 H new ATOM 0 HB3 TRP A 52 1.194 -15.221 12.351 1.00 53.45 H new ATOM 0 HD1 TRP A 52 4.242 -17.558 13.161 1.00 61.40 H new ATOM 0 HE1 TRP A 52 3.624 -19.973 12.480 1.00 72.21 H new ATOM 0 HE3 TRP A 52 -0.452 -16.651 11.346 1.00 2.24 H new ATOM 0 HZ2 TRP A 52 1.412 -21.275 11.337 1.00 40.50 H new ATOM 0 HZ3 TRP A 52 -1.767 -18.546 10.478 1.00 51.54 H new ATOM 0 HH2 TRP A 52 -0.845 -20.827 10.482 1.00 71.41 H new ATOM 795 N CYS A 53 4.150 -14.667 9.606 1.00 65.44 N ATOM 796 CA CYS A 53 4.156 -14.779 8.150 1.00 73.21 C ATOM 797 C CYS A 53 5.593 -14.781 7.630 1.00 13.22 C ATOM 798 O CYS A 53 6.336 -13.816 7.836 1.00 4.13 O ATOM 799 CB CYS A 53 3.367 -13.624 7.513 1.00 3.31 C ATOM 800 SG CYS A 53 3.379 -13.629 5.684 1.00 75.13 S ATOM 0 H CYS A 53 5.042 -14.370 10.003 1.00 65.44 H new ATOM 0 HA CYS A 53 3.676 -15.718 7.875 1.00 73.21 H new ATOM 0 HB2 CYS A 53 2.334 -13.670 7.859 1.00 3.31 H new ATOM 0 HB3 CYS A 53 3.780 -12.679 7.866 1.00 3.31 H new ATOM 805 N GLY A 54 5.978 -15.869 6.966 1.00 20.54 N ATOM 806 CA GLY A 54 7.335 -16.014 6.462 1.00 11.04 C ATOM 807 C GLY A 54 7.727 -14.926 5.470 1.00 3.04 C ATOM 808 O GLY A 54 8.649 -14.149 5.734 1.00 31.21 O ATOM 0 H GLY A 54 5.367 -16.661 6.766 1.00 20.54 H new ATOM 0 HA2 GLY A 54 8.031 -15.999 7.301 1.00 11.04 H new ATOM 0 HA3 GLY A 54 7.435 -16.987 5.982 1.00 11.04 H new ATOM 812 N PRO A 55 7.045 -14.850 4.307 1.00 64.41 N ATOM 813 CA PRO A 55 7.343 -13.843 3.280 1.00 51.23 C ATOM 814 C PRO A 55 7.243 -12.420 3.828 1.00 12.14 C ATOM 815 O PRO A 55 8.152 -11.608 3.642 1.00 52.23 O ATOM 816 CB PRO A 55 6.274 -14.089 2.200 1.00 44.35 C ATOM 817 CG PRO A 55 5.834 -15.499 2.415 1.00 75.32 C ATOM 818 CD PRO A 55 5.939 -15.740 3.897 1.00 33.24 C ATOM 0 HA PRO A 55 8.362 -13.934 2.903 1.00 51.23 H new ATOM 0 HB2 PRO A 55 5.440 -13.394 2.303 1.00 44.35 H new ATOM 0 HB3 PRO A 55 6.683 -13.950 1.199 1.00 44.35 H new ATOM 0 HG2 PRO A 55 4.812 -15.647 2.066 1.00 75.32 H new ATOM 0 HG3 PRO A 55 6.464 -16.194 1.860 1.00 75.32 H new ATOM 0 HD2 PRO A 55 5.011 -15.492 4.412 1.00 33.24 H new ATOM 0 HD3 PRO A 55 6.158 -16.784 4.121 1.00 33.24 H new ATOM 826 N CYS A 56 6.148 -12.145 4.534 1.00 11.43 N ATOM 827 CA CYS A 56 5.858 -10.810 5.065 1.00 63.55 C ATOM 828 C CYS A 56 7.047 -10.239 5.846 1.00 61.41 C ATOM 829 O CYS A 56 7.294 -9.033 5.824 1.00 73.24 O ATOM 830 CB CYS A 56 4.620 -10.872 5.965 1.00 10.04 C ATOM 831 SG CYS A 56 3.182 -11.671 5.181 1.00 74.20 S ATOM 0 H CYS A 56 5.435 -12.840 4.755 1.00 11.43 H new ATOM 0 HA CYS A 56 5.668 -10.146 4.222 1.00 63.55 H new ATOM 0 HB2 CYS A 56 4.872 -11.413 6.877 1.00 10.04 H new ATOM 0 HB3 CYS A 56 4.345 -9.859 6.260 1.00 10.04 H new ATOM 836 N ARG A 57 7.785 -11.120 6.513 1.00 41.31 N ATOM 837 CA ARG A 57 8.940 -10.723 7.313 1.00 2.54 C ATOM 838 C ARG A 57 10.041 -10.141 6.422 1.00 73.34 C ATOM 839 O ARG A 57 10.723 -9.188 6.796 1.00 3.31 O ATOM 840 CB ARG A 57 9.444 -11.941 8.100 1.00 24.44 C ATOM 841 CG ARG A 57 10.511 -11.627 9.140 1.00 41.50 C ATOM 842 CD ARG A 57 10.703 -12.793 10.101 1.00 65.32 C ATOM 843 NE ARG A 57 11.714 -12.521 11.126 1.00 51.33 N ATOM 844 CZ ARG A 57 11.452 -12.009 12.332 1.00 43.11 C ATOM 845 NH1 ARG A 57 10.235 -11.566 12.631 1.00 1.53 N ATOM 846 NH2 ARG A 57 12.424 -11.907 13.231 1.00 44.42 N ATOM 0 H ARG A 57 7.602 -12.123 6.515 1.00 41.31 H new ATOM 0 HA ARG A 57 8.648 -9.943 8.016 1.00 2.54 H new ATOM 0 HB2 ARG A 57 8.596 -12.411 8.599 1.00 24.44 H new ATOM 0 HB3 ARG A 57 9.845 -12.671 7.397 1.00 24.44 H new ATOM 0 HG2 ARG A 57 11.454 -11.404 8.641 1.00 41.50 H new ATOM 0 HG3 ARG A 57 10.227 -10.735 9.698 1.00 41.50 H new ATOM 0 HD2 ARG A 57 9.753 -13.020 10.585 1.00 65.32 H new ATOM 0 HD3 ARG A 57 10.993 -13.679 9.537 1.00 65.32 H new ATOM 0 HE ARG A 57 12.686 -12.738 10.903 1.00 51.33 H new ATOM 0 HH11 ARG A 57 9.490 -11.615 11.937 1.00 1.53 H new ATOM 0 HH12 ARG A 57 10.047 -11.177 13.555 1.00 1.53 H new ATOM 0 HH21 ARG A 57 13.367 -12.219 13.000 1.00 44.42 H new ATOM 0 HH22 ARG A 57 12.227 -11.517 14.153 1.00 44.42 H new ATOM 860 N SER A 58 10.197 -10.712 5.232 1.00 44.14 N ATOM 861 CA SER A 58 11.160 -10.205 4.253 1.00 1.51 C ATOM 862 C SER A 58 10.635 -8.913 3.617 1.00 2.34 C ATOM 863 O SER A 58 11.406 -8.015 3.230 1.00 24.51 O ATOM 864 CB SER A 58 11.425 -11.266 3.176 1.00 35.02 C ATOM 865 OG SER A 58 12.441 -10.850 2.281 1.00 53.13 O ATOM 0 H SER A 58 9.670 -11.527 4.919 1.00 44.14 H new ATOM 0 HA SER A 58 12.099 -9.984 4.761 1.00 1.51 H new ATOM 0 HB2 SER A 58 11.717 -12.203 3.650 1.00 35.02 H new ATOM 0 HB3 SER A 58 10.507 -11.461 2.622 1.00 35.02 H new ATOM 0 HG SER A 58 13.303 -11.215 2.572 1.00 53.13 H new ATOM 871 N LEU A 59 9.313 -8.813 3.519 1.00 40.21 N ATOM 872 CA LEU A 59 8.682 -7.628 2.952 1.00 35.53 C ATOM 873 C LEU A 59 8.958 -6.398 3.816 1.00 62.15 C ATOM 874 O LEU A 59 8.868 -5.280 3.328 1.00 1.42 O ATOM 875 CB LEU A 59 7.169 -7.839 2.747 1.00 35.14 C ATOM 876 CG LEU A 59 6.761 -8.541 1.435 1.00 45.24 C ATOM 877 CD1 LEU A 59 7.068 -7.665 0.228 1.00 41.24 C ATOM 878 CD2 LEU A 59 7.448 -9.895 1.295 1.00 44.43 C ATOM 0 H LEU A 59 8.661 -9.536 3.824 1.00 40.21 H new ATOM 0 HA LEU A 59 9.122 -7.454 1.970 1.00 35.53 H new ATOM 0 HB2 LEU A 59 6.786 -8.423 3.584 1.00 35.14 H new ATOM 0 HB3 LEU A 59 6.677 -6.867 2.785 1.00 35.14 H new ATOM 0 HG LEU A 59 5.685 -8.708 1.475 1.00 45.24 H new ATOM 0 HD11 LEU A 59 6.771 -8.184 -0.683 1.00 41.24 H new ATOM 0 HD12 LEU A 59 6.517 -6.728 0.309 1.00 41.24 H new ATOM 0 HD13 LEU A 59 8.137 -7.455 0.193 1.00 41.24 H new ATOM 0 HD21 LEU A 59 7.140 -10.364 0.361 1.00 44.43 H new ATOM 0 HD22 LEU A 59 8.529 -9.756 1.292 1.00 44.43 H new ATOM 0 HD23 LEU A 59 7.167 -10.534 2.132 1.00 44.43 H new ATOM 890 N GLU A 60 9.313 -6.600 5.089 1.00 63.22 N ATOM 891 CA GLU A 60 9.715 -5.479 5.941 1.00 12.23 C ATOM 892 C GLU A 60 10.867 -4.700 5.270 1.00 15.35 C ATOM 893 O GLU A 60 10.662 -3.564 4.828 1.00 41.13 O ATOM 894 CB GLU A 60 10.102 -5.948 7.363 1.00 64.54 C ATOM 895 CG GLU A 60 8.947 -6.492 8.198 1.00 35.34 C ATOM 896 CD GLU A 60 9.408 -7.036 9.547 1.00 32.12 C ATOM 897 OE1 GLU A 60 10.173 -6.340 10.253 1.00 33.43 O ATOM 898 OE2 GLU A 60 9.005 -8.166 9.914 1.00 52.20 O ATOM 0 H GLU A 60 9.330 -7.512 5.545 1.00 63.22 H new ATOM 0 HA GLU A 60 8.861 -4.811 6.056 1.00 12.23 H new ATOM 0 HB2 GLU A 60 10.866 -6.721 7.279 1.00 64.54 H new ATOM 0 HB3 GLU A 60 10.553 -5.111 7.896 1.00 64.54 H new ATOM 0 HG2 GLU A 60 8.215 -5.700 8.360 1.00 35.34 H new ATOM 0 HG3 GLU A 60 8.443 -7.284 7.643 1.00 35.34 H new ATOM 905 N PRO A 61 12.084 -5.297 5.124 1.00 45.34 N ATOM 906 CA PRO A 61 13.208 -4.609 4.484 1.00 62.53 C ATOM 907 C PRO A 61 12.964 -4.354 2.998 1.00 41.35 C ATOM 908 O PRO A 61 13.370 -3.311 2.474 1.00 23.35 O ATOM 909 CB PRO A 61 14.391 -5.566 4.683 1.00 53.40 C ATOM 910 CG PRO A 61 13.758 -6.902 4.824 1.00 2.25 C ATOM 911 CD PRO A 61 12.472 -6.657 5.562 1.00 50.42 C ATOM 0 HA PRO A 61 13.374 -3.623 4.917 1.00 62.53 H new ATOM 0 HB2 PRO A 61 15.074 -5.537 3.834 1.00 53.40 H new ATOM 0 HB3 PRO A 61 14.971 -5.304 5.568 1.00 53.40 H new ATOM 0 HG2 PRO A 61 13.572 -7.354 3.850 1.00 2.25 H new ATOM 0 HG3 PRO A 61 14.403 -7.586 5.375 1.00 2.25 H new ATOM 0 HD2 PRO A 61 11.713 -7.395 5.304 1.00 50.42 H new ATOM 0 HD3 PRO A 61 12.612 -6.708 6.642 1.00 50.42 H new ATOM 919 N GLN A 62 12.316 -5.301 2.301 1.00 74.14 N ATOM 920 CA GLN A 62 12.052 -5.118 0.873 1.00 62.00 C ATOM 921 C GLN A 62 11.195 -3.868 0.626 1.00 40.41 C ATOM 922 O GLN A 62 11.597 -2.966 -0.115 1.00 71.44 O ATOM 923 CB GLN A 62 11.385 -6.362 0.274 1.00 55.23 C ATOM 924 CG GLN A 62 12.212 -7.633 0.442 1.00 64.24 C ATOM 925 CD GLN A 62 11.660 -8.816 -0.340 1.00 65.22 C ATOM 926 OE1 GLN A 62 12.052 -9.063 -1.480 1.00 74.51 O ATOM 927 NE2 GLN A 62 10.737 -9.547 0.265 1.00 33.22 N ATOM 0 H GLN A 62 11.975 -6.178 2.694 1.00 74.14 H new ATOM 0 HA GLN A 62 13.010 -4.974 0.373 1.00 62.00 H new ATOM 0 HB2 GLN A 62 10.412 -6.506 0.744 1.00 55.23 H new ATOM 0 HB3 GLN A 62 11.204 -6.193 -0.787 1.00 55.23 H new ATOM 0 HG2 GLN A 62 13.235 -7.438 0.120 1.00 64.24 H new ATOM 0 HG3 GLN A 62 12.255 -7.893 1.500 1.00 64.24 H new ATOM 0 HE21 GLN A 62 10.438 -9.310 1.211 1.00 33.22 H new ATOM 0 HE22 GLN A 62 10.325 -10.347 -0.215 1.00 33.22 H new ATOM 936 N LEU A 63 10.030 -3.809 1.269 1.00 31.22 N ATOM 937 CA LEU A 63 9.112 -2.680 1.110 1.00 31.01 C ATOM 938 C LEU A 63 9.739 -1.386 1.619 1.00 53.40 C ATOM 939 O LEU A 63 9.767 -0.386 0.901 1.00 71.13 O ATOM 940 CB LEU A 63 7.791 -2.937 1.849 1.00 24.25 C ATOM 941 CG LEU A 63 6.934 -4.084 1.296 1.00 10.45 C ATOM 942 CD1 LEU A 63 5.737 -4.344 2.209 1.00 72.24 C ATOM 943 CD2 LEU A 63 6.478 -3.777 -0.130 1.00 30.22 C ATOM 0 H LEU A 63 9.698 -4.532 1.907 1.00 31.22 H new ATOM 0 HA LEU A 63 8.907 -2.576 0.045 1.00 31.01 H new ATOM 0 HB2 LEU A 63 8.015 -3.147 2.895 1.00 24.25 H new ATOM 0 HB3 LEU A 63 7.199 -2.022 1.827 1.00 24.25 H new ATOM 0 HG LEU A 63 7.542 -4.988 1.267 1.00 10.45 H new ATOM 0 HD11 LEU A 63 5.140 -5.160 1.802 1.00 72.24 H new ATOM 0 HD12 LEU A 63 6.090 -4.614 3.204 1.00 72.24 H new ATOM 0 HD13 LEU A 63 5.126 -3.444 2.273 1.00 72.24 H new ATOM 0 HD21 LEU A 63 5.872 -4.602 -0.504 1.00 30.22 H new ATOM 0 HD22 LEU A 63 5.886 -2.862 -0.134 1.00 30.22 H new ATOM 0 HD23 LEU A 63 7.350 -3.648 -0.771 1.00 30.22 H new ATOM 955 N GLU A 64 10.247 -1.414 2.858 1.00 64.33 N ATOM 956 CA GLU A 64 10.887 -0.239 3.459 1.00 44.22 C ATOM 957 C GLU A 64 11.943 0.348 2.521 1.00 32.52 C ATOM 958 O GLU A 64 11.984 1.554 2.295 1.00 42.32 O ATOM 959 CB GLU A 64 11.523 -0.609 4.810 1.00 42.24 C ATOM 960 CG GLU A 64 10.539 -0.633 5.985 1.00 24.50 C ATOM 961 CD GLU A 64 10.356 0.734 6.636 1.00 25.23 C ATOM 962 OE1 GLU A 64 11.363 1.449 6.818 1.00 33.05 O ATOM 963 OE2 GLU A 64 9.205 1.103 6.960 1.00 5.21 O ATOM 0 H GLU A 64 10.227 -2.236 3.462 1.00 64.33 H new ATOM 0 HA GLU A 64 10.120 0.517 3.625 1.00 44.22 H new ATOM 0 HB2 GLU A 64 11.990 -1.590 4.722 1.00 42.24 H new ATOM 0 HB3 GLU A 64 12.318 0.103 5.031 1.00 42.24 H new ATOM 0 HG2 GLU A 64 9.572 -0.995 5.635 1.00 24.50 H new ATOM 0 HG3 GLU A 64 10.893 -1.342 6.734 1.00 24.50 H new ATOM 970 N LYS A 65 12.772 -0.518 1.950 1.00 34.30 N ATOM 971 CA LYS A 65 13.865 -0.077 1.091 1.00 74.04 C ATOM 972 C LYS A 65 13.339 0.504 -0.220 1.00 24.34 C ATOM 973 O LYS A 65 13.758 1.591 -0.636 1.00 43.13 O ATOM 974 CB LYS A 65 14.825 -1.243 0.839 1.00 73.22 C ATOM 975 CG LYS A 65 15.962 -0.940 -0.133 1.00 14.41 C ATOM 976 CD LYS A 65 17.132 -1.920 0.018 1.00 71.14 C ATOM 977 CE LYS A 65 16.693 -3.387 -0.033 1.00 32.23 C ATOM 978 NZ LYS A 65 16.101 -3.854 1.258 1.00 2.34 N ATOM 0 H LYS A 65 12.708 -1.529 2.066 1.00 34.30 H new ATOM 0 HA LYS A 65 14.410 0.720 1.597 1.00 74.04 H new ATOM 0 HB2 LYS A 65 15.254 -1.554 1.792 1.00 73.22 H new ATOM 0 HB3 LYS A 65 14.254 -2.088 0.455 1.00 73.22 H new ATOM 0 HG2 LYS A 65 15.585 -0.982 -1.155 1.00 14.41 H new ATOM 0 HG3 LYS A 65 16.318 0.077 0.033 1.00 14.41 H new ATOM 0 HD2 LYS A 65 17.858 -1.736 -0.774 1.00 71.14 H new ATOM 0 HD3 LYS A 65 17.638 -1.730 0.965 1.00 71.14 H new ATOM 0 HE2 LYS A 65 15.962 -3.516 -0.832 1.00 32.23 H new ATOM 0 HE3 LYS A 65 17.551 -4.011 -0.282 1.00 32.23 H new ATOM 0 HZ1 LYS A 65 16.370 -4.844 1.425 1.00 2.34 H new ATOM 0 HZ2 LYS A 65 16.455 -3.262 2.037 1.00 2.34 H new ATOM 0 HZ3 LYS A 65 15.065 -3.780 1.211 1.00 2.34 H new ATOM 992 N LEU A 66 12.411 -0.205 -0.869 1.00 71.31 N ATOM 993 CA LEU A 66 11.829 0.293 -2.115 1.00 14.35 C ATOM 994 C LEU A 66 11.089 1.604 -1.871 1.00 4.14 C ATOM 995 O LEU A 66 11.041 2.468 -2.745 1.00 64.03 O ATOM 996 CB LEU A 66 10.893 -0.740 -2.760 1.00 22.31 C ATOM 997 CG LEU A 66 11.570 -2.020 -3.267 1.00 11.51 C ATOM 998 CD1 LEU A 66 10.631 -2.776 -4.198 1.00 24.02 C ATOM 999 CD2 LEU A 66 12.896 -1.706 -3.961 1.00 3.44 C ATOM 0 H LEU A 66 12.053 -1.108 -0.559 1.00 71.31 H new ATOM 0 HA LEU A 66 12.648 0.473 -2.811 1.00 14.35 H new ATOM 0 HB2 LEU A 66 10.130 -1.017 -2.032 1.00 22.31 H new ATOM 0 HB3 LEU A 66 10.379 -0.266 -3.596 1.00 22.31 H new ATOM 0 HG LEU A 66 11.793 -2.654 -2.409 1.00 11.51 H new ATOM 0 HD11 LEU A 66 11.122 -3.683 -4.552 1.00 24.02 H new ATOM 0 HD12 LEU A 66 9.721 -3.042 -3.660 1.00 24.02 H new ATOM 0 HD13 LEU A 66 10.377 -2.145 -5.050 1.00 24.02 H new ATOM 0 HD21 LEU A 66 13.353 -2.632 -4.310 1.00 3.44 H new ATOM 0 HD22 LEU A 66 12.715 -1.048 -4.811 1.00 3.44 H new ATOM 0 HD23 LEU A 66 13.567 -1.213 -3.258 1.00 3.44 H new ATOM 1011 N ALA A 67 10.531 1.752 -0.675 1.00 3.24 N ATOM 1012 CA ALA A 67 9.875 2.990 -0.282 1.00 3.03 C ATOM 1013 C ALA A 67 10.906 4.110 -0.176 1.00 12.33 C ATOM 1014 O ALA A 67 10.710 5.190 -0.715 1.00 51.03 O ATOM 1015 CB ALA A 67 9.126 2.807 1.032 1.00 3.12 C ATOM 0 H ALA A 67 10.521 1.026 0.041 1.00 3.24 H new ATOM 0 HA ALA A 67 9.144 3.263 -1.044 1.00 3.03 H new ATOM 0 HB1 ALA A 67 8.642 3.744 1.309 1.00 3.12 H new ATOM 0 HB2 ALA A 67 8.371 2.030 0.915 1.00 3.12 H new ATOM 0 HB3 ALA A 67 9.828 2.516 1.814 1.00 3.12 H new ATOM 1021 N GLN A 68 12.019 3.831 0.496 1.00 42.53 N ATOM 1022 CA GLN A 68 13.111 4.798 0.629 1.00 2.15 C ATOM 1023 C GLN A 68 13.656 5.194 -0.744 1.00 54.41 C ATOM 1024 O GLN A 68 14.129 6.318 -0.943 1.00 75.31 O ATOM 1025 CB GLN A 68 14.223 4.213 1.510 1.00 42.35 C ATOM 1026 CG GLN A 68 13.748 3.895 2.925 1.00 50.44 C ATOM 1027 CD GLN A 68 14.775 3.178 3.778 1.00 73.12 C ATOM 1028 OE1 GLN A 68 15.635 2.453 3.277 1.00 43.41 O ATOM 1029 NE2 GLN A 68 14.657 3.339 5.085 1.00 41.23 N ATOM 0 H GLN A 68 12.192 2.939 0.960 1.00 42.53 H new ATOM 0 HA GLN A 68 12.725 5.699 1.106 1.00 2.15 H new ATOM 0 HB2 GLN A 68 14.607 3.304 1.047 1.00 42.35 H new ATOM 0 HB3 GLN A 68 15.051 4.920 1.560 1.00 42.35 H new ATOM 0 HG2 GLN A 68 13.467 4.825 3.419 1.00 50.44 H new ATOM 0 HG3 GLN A 68 12.849 3.281 2.865 1.00 50.44 H new ATOM 0 HE21 GLN A 68 13.931 3.949 5.460 1.00 41.23 H new ATOM 0 HE22 GLN A 68 15.292 2.853 5.718 1.00 41.23 H new ATOM 1038 N GLN A 69 13.584 4.266 -1.689 1.00 60.11 N ATOM 1039 CA GLN A 69 13.999 4.533 -3.065 1.00 43.34 C ATOM 1040 C GLN A 69 12.945 5.366 -3.808 1.00 71.10 C ATOM 1041 O GLN A 69 13.269 6.343 -4.486 1.00 31.01 O ATOM 1042 CB GLN A 69 14.237 3.208 -3.809 1.00 3.31 C ATOM 1043 CG GLN A 69 14.793 3.386 -5.221 1.00 43.10 C ATOM 1044 CD GLN A 69 16.178 4.016 -5.241 1.00 50.30 C ATOM 1045 OE1 GLN A 69 16.518 4.765 -6.157 1.00 4.12 O ATOM 1046 NE2 GLN A 69 17.002 3.697 -4.254 1.00 71.25 N ATOM 0 H GLN A 69 13.242 3.318 -1.530 1.00 60.11 H new ATOM 0 HA GLN A 69 14.927 5.104 -3.035 1.00 43.34 H new ATOM 0 HB2 GLN A 69 14.929 2.596 -3.230 1.00 3.31 H new ATOM 0 HB3 GLN A 69 13.297 2.659 -3.865 1.00 3.31 H new ATOM 0 HG2 GLN A 69 14.835 2.415 -5.714 1.00 43.10 H new ATOM 0 HG3 GLN A 69 14.109 4.008 -5.799 1.00 43.10 H new ATOM 0 HE21 GLN A 69 16.689 3.074 -3.510 1.00 71.25 H new ATOM 0 HE22 GLN A 69 17.949 4.075 -4.238 1.00 71.25 H new ATOM 1055 N TYR A 70 11.684 4.980 -3.651 1.00 52.32 N ATOM 1056 CA TYR A 70 10.582 5.517 -4.456 1.00 72.31 C ATOM 1057 C TYR A 70 9.726 6.537 -3.693 1.00 72.42 C ATOM 1058 O TYR A 70 8.715 7.005 -4.217 1.00 72.44 O ATOM 1059 CB TYR A 70 9.696 4.373 -4.973 1.00 31.21 C ATOM 1060 CG TYR A 70 10.360 3.497 -6.025 1.00 72.20 C ATOM 1061 CD1 TYR A 70 10.899 4.055 -7.179 1.00 25.25 C ATOM 1062 CD2 TYR A 70 10.425 2.112 -5.876 1.00 32.11 C ATOM 1063 CE1 TYR A 70 11.482 3.265 -8.153 1.00 31.32 C ATOM 1064 CE2 TYR A 70 11.012 1.316 -6.845 1.00 11.31 C ATOM 1065 CZ TYR A 70 11.538 1.899 -7.980 1.00 52.41 C ATOM 1066 OH TYR A 70 12.112 1.110 -8.955 1.00 53.41 O ATOM 0 H TYR A 70 11.392 4.286 -2.963 1.00 52.32 H new ATOM 0 HA TYR A 70 11.035 6.045 -5.295 1.00 72.31 H new ATOM 0 HB2 TYR A 70 9.400 3.748 -4.130 1.00 31.21 H new ATOM 0 HB3 TYR A 70 8.783 4.796 -5.392 1.00 31.21 H new ATOM 0 HD1 TYR A 70 10.862 5.125 -7.317 1.00 25.25 H new ATOM 0 HD2 TYR A 70 10.011 1.653 -4.991 1.00 32.11 H new ATOM 0 HE1 TYR A 70 11.891 3.716 -9.045 1.00 31.32 H new ATOM 0 HE2 TYR A 70 11.058 0.245 -6.713 1.00 11.31 H new ATOM 0 HH TYR A 70 11.415 0.778 -9.559 1.00 53.41 H new ATOM 1076 N THR A 71 10.133 6.885 -2.473 1.00 61.43 N ATOM 1077 CA THR A 71 9.328 7.735 -1.577 1.00 61.21 C ATOM 1078 C THR A 71 8.899 9.041 -2.254 1.00 41.33 C ATOM 1079 O THR A 71 7.955 9.697 -1.807 1.00 54.42 O ATOM 1080 CB THR A 71 10.092 8.070 -0.269 1.00 43.33 C ATOM 1081 OG1 THR A 71 9.262 8.846 0.614 1.00 75.13 O ATOM 1082 CG2 THR A 71 11.382 8.831 -0.562 1.00 35.31 C ATOM 0 H THR A 71 11.024 6.591 -2.073 1.00 61.43 H new ATOM 0 HA THR A 71 8.436 7.157 -1.334 1.00 61.21 H new ATOM 0 HB THR A 71 10.349 7.127 0.214 1.00 43.33 H new ATOM 0 HG1 THR A 71 8.755 8.245 1.198 1.00 75.13 H new ATOM 0 HG21 THR A 71 11.895 9.051 0.374 1.00 35.31 H new ATOM 0 HG22 THR A 71 12.028 8.222 -1.195 1.00 35.31 H new ATOM 0 HG23 THR A 71 11.146 9.763 -1.075 1.00 35.31 H new ATOM 1090 N GLU A 72 9.595 9.413 -3.323 1.00 23.30 N ATOM 1091 CA GLU A 72 9.251 10.604 -4.096 1.00 50.43 C ATOM 1092 C GLU A 72 7.796 10.546 -4.559 1.00 44.11 C ATOM 1093 O GLU A 72 7.081 11.550 -4.538 1.00 51.01 O ATOM 1094 CB GLU A 72 10.164 10.717 -5.318 1.00 41.51 C ATOM 1095 CG GLU A 72 11.645 10.584 -4.997 1.00 74.21 C ATOM 1096 CD GLU A 72 12.510 10.611 -6.243 1.00 24.11 C ATOM 1097 OE1 GLU A 72 12.450 9.646 -7.035 1.00 4.32 O ATOM 1098 OE2 GLU A 72 13.261 11.591 -6.435 1.00 52.11 O ATOM 0 H GLU A 72 10.405 8.904 -3.676 1.00 23.30 H new ATOM 0 HA GLU A 72 9.385 11.476 -3.455 1.00 50.43 H new ATOM 0 HB2 GLU A 72 9.888 9.946 -6.038 1.00 41.51 H new ATOM 0 HB3 GLU A 72 9.992 11.679 -5.800 1.00 41.51 H new ATOM 0 HG2 GLU A 72 11.944 11.394 -4.332 1.00 74.21 H new ATOM 0 HG3 GLU A 72 11.815 9.651 -4.459 1.00 74.21 H new ATOM 1105 N ASN A 73 7.366 9.353 -4.978 1.00 4.22 N ATOM 1106 CA ASN A 73 6.019 9.159 -5.520 1.00 34.51 C ATOM 1107 C ASN A 73 5.292 8.018 -4.811 1.00 10.21 C ATOM 1108 O ASN A 73 4.113 7.781 -5.061 1.00 12.31 O ATOM 1109 CB ASN A 73 6.085 8.853 -7.026 1.00 14.11 C ATOM 1110 CG ASN A 73 6.813 9.926 -7.822 1.00 43.45 C ATOM 1111 OD1 ASN A 73 6.211 10.905 -8.263 1.00 74.11 O ATOM 1112 ND2 ASN A 73 8.111 9.739 -8.023 1.00 63.22 N ATOM 0 H ASN A 73 7.933 8.505 -4.952 1.00 4.22 H new ATOM 0 HA ASN A 73 5.466 10.084 -5.355 1.00 34.51 H new ATOM 0 HB2 ASN A 73 6.586 7.896 -7.175 1.00 14.11 H new ATOM 0 HB3 ASN A 73 5.072 8.746 -7.414 1.00 14.11 H new ATOM 0 HD21 ASN A 73 8.647 10.420 -8.560 1.00 63.22 H new ATOM 0 HD22 ASN A 73 8.573 8.914 -7.640 1.00 63.22 H new ATOM 1119 N VAL A 74 5.995 7.314 -3.931 1.00 32.01 N ATOM 1120 CA VAL A 74 5.446 6.133 -3.262 1.00 33.42 C ATOM 1121 C VAL A 74 5.356 6.337 -1.753 1.00 71.24 C ATOM 1122 O VAL A 74 6.278 6.869 -1.129 1.00 13.12 O ATOM 1123 CB VAL A 74 6.307 4.874 -3.560 1.00 33.04 C ATOM 1124 CG1 VAL A 74 5.947 3.712 -2.635 1.00 13.40 C ATOM 1125 CG2 VAL A 74 6.158 4.460 -5.022 1.00 54.41 C ATOM 0 H VAL A 74 6.952 7.540 -3.661 1.00 32.01 H new ATOM 0 HA VAL A 74 4.441 5.983 -3.656 1.00 33.42 H new ATOM 0 HB VAL A 74 7.349 5.134 -3.372 1.00 33.04 H new ATOM 0 HG11 VAL A 74 6.570 2.850 -2.874 1.00 13.40 H new ATOM 0 HG12 VAL A 74 6.116 4.006 -1.599 1.00 13.40 H new ATOM 0 HG13 VAL A 74 4.898 3.450 -2.771 1.00 13.40 H new ATOM 0 HG21 VAL A 74 6.767 3.577 -5.214 1.00 54.41 H new ATOM 0 HG22 VAL A 74 5.113 4.232 -5.231 1.00 54.41 H new ATOM 0 HG23 VAL A 74 6.487 5.275 -5.666 1.00 54.41 H new ATOM 1135 N LYS A 75 4.229 5.924 -1.182 1.00 11.34 N ATOM 1136 CA LYS A 75 4.032 5.909 0.266 1.00 40.23 C ATOM 1137 C LYS A 75 3.251 4.657 0.662 1.00 35.31 C ATOM 1138 O LYS A 75 2.130 4.443 0.194 1.00 21.34 O ATOM 1139 CB LYS A 75 3.293 7.177 0.733 1.00 53.02 C ATOM 1140 CG LYS A 75 4.157 8.439 0.747 1.00 31.22 C ATOM 1141 CD LYS A 75 5.309 8.318 1.745 1.00 64.21 C ATOM 1142 CE LYS A 75 6.129 9.603 1.833 1.00 23.52 C ATOM 1143 NZ LYS A 75 6.821 9.926 0.556 1.00 62.34 N ATOM 0 H LYS A 75 3.424 5.589 -1.711 1.00 11.34 H new ATOM 0 HA LYS A 75 5.007 5.893 0.754 1.00 40.23 H new ATOM 0 HB2 LYS A 75 2.436 7.345 0.081 1.00 53.02 H new ATOM 0 HB3 LYS A 75 2.902 7.007 1.736 1.00 53.02 H new ATOM 0 HG2 LYS A 75 4.556 8.619 -0.251 1.00 31.22 H new ATOM 0 HG3 LYS A 75 3.541 9.300 1.004 1.00 31.22 H new ATOM 0 HD2 LYS A 75 4.911 8.074 2.730 1.00 64.21 H new ATOM 0 HD3 LYS A 75 5.958 7.493 1.451 1.00 64.21 H new ATOM 0 HE2 LYS A 75 5.474 10.430 2.107 1.00 23.52 H new ATOM 0 HE3 LYS A 75 6.868 9.505 2.628 1.00 23.52 H new ATOM 0 HZ1 LYS A 75 7.842 9.758 0.662 1.00 62.34 H new ATOM 0 HZ2 LYS A 75 6.448 9.322 -0.204 1.00 62.34 H new ATOM 0 HZ3 LYS A 75 6.658 10.925 0.316 1.00 62.34 H new ATOM 1157 N ILE A 76 3.858 3.823 1.505 1.00 33.32 N ATOM 1158 CA ILE A 76 3.243 2.577 1.935 1.00 31.42 C ATOM 1159 C ILE A 76 2.618 2.753 3.315 1.00 31.52 C ATOM 1160 O ILE A 76 3.158 3.463 4.169 1.00 21.31 O ATOM 1161 CB ILE A 76 4.280 1.424 1.967 1.00 24.23 C ATOM 1162 CG1 ILE A 76 4.988 1.312 0.605 1.00 63.41 C ATOM 1163 CG2 ILE A 76 3.607 0.104 2.339 1.00 54.24 C ATOM 1164 CD1 ILE A 76 6.043 0.226 0.543 1.00 22.32 C ATOM 0 H ILE A 76 4.781 3.993 1.904 1.00 33.32 H new ATOM 0 HA ILE A 76 2.466 2.316 1.217 1.00 31.42 H new ATOM 0 HB ILE A 76 5.027 1.647 2.729 1.00 24.23 H new ATOM 0 HG12 ILE A 76 4.241 1.122 -0.166 1.00 63.41 H new ATOM 0 HG13 ILE A 76 5.453 2.269 0.370 1.00 63.41 H new ATOM 0 HG21 ILE A 76 4.352 -0.692 2.356 1.00 54.24 H new ATOM 0 HG22 ILE A 76 3.149 0.194 3.324 1.00 54.24 H new ATOM 0 HG23 ILE A 76 2.839 -0.133 1.603 1.00 54.24 H new ATOM 0 HD11 ILE A 76 6.494 0.213 -0.449 1.00 22.32 H new ATOM 0 HD12 ILE A 76 6.813 0.424 1.289 1.00 22.32 H new ATOM 0 HD13 ILE A 76 5.582 -0.741 0.745 1.00 22.32 H new ATOM 1176 N TYR A 77 1.479 2.112 3.518 1.00 72.22 N ATOM 1177 CA TYR A 77 0.717 2.227 4.751 1.00 62.10 C ATOM 1178 C TYR A 77 0.248 0.850 5.200 1.00 71.33 C ATOM 1179 O TYR A 77 0.093 -0.059 4.385 1.00 51.23 O ATOM 1180 CB TYR A 77 -0.498 3.147 4.553 1.00 35.33 C ATOM 1181 CG TYR A 77 -0.148 4.602 4.295 1.00 60.21 C ATOM 1182 CD1 TYR A 77 0.083 5.474 5.350 1.00 61.23 C ATOM 1183 CD2 TYR A 77 -0.052 5.106 3.001 1.00 5.22 C ATOM 1184 CE1 TYR A 77 0.397 6.800 5.129 1.00 51.12 C ATOM 1185 CE2 TYR A 77 0.262 6.433 2.772 1.00 14.13 C ATOM 1186 CZ TYR A 77 0.487 7.276 3.841 1.00 32.41 C ATOM 1187 OH TYR A 77 0.795 8.603 3.623 1.00 43.44 O ATOM 0 H TYR A 77 1.054 1.493 2.828 1.00 72.22 H new ATOM 0 HA TYR A 77 1.362 2.659 5.516 1.00 62.10 H new ATOM 0 HB2 TYR A 77 -1.088 2.774 3.716 1.00 35.33 H new ATOM 0 HB3 TYR A 77 -1.130 3.090 5.439 1.00 35.33 H new ATOM 0 HD1 TYR A 77 0.016 5.108 6.364 1.00 61.23 H new ATOM 0 HD2 TYR A 77 -0.226 4.449 2.161 1.00 5.22 H new ATOM 0 HE1 TYR A 77 0.571 7.462 5.964 1.00 51.12 H new ATOM 0 HE2 TYR A 77 0.331 6.808 1.761 1.00 14.13 H new ATOM 0 HH TYR A 77 0.821 8.779 2.659 1.00 43.44 H new ATOM 1197 N LYS A 78 0.019 0.706 6.496 1.00 42.43 N ATOM 1198 CA LYS A 78 -0.485 -0.535 7.061 1.00 32.35 C ATOM 1199 C LYS A 78 -1.488 -0.216 8.163 1.00 63.03 C ATOM 1200 O LYS A 78 -1.333 0.772 8.891 1.00 32.35 O ATOM 1201 CB LYS A 78 0.671 -1.386 7.610 1.00 52.44 C ATOM 1202 CG LYS A 78 1.392 -0.766 8.804 1.00 43.25 C ATOM 1203 CD LYS A 78 2.612 -1.584 9.219 1.00 1.53 C ATOM 1204 CE LYS A 78 3.238 -1.059 10.506 1.00 1.10 C ATOM 1205 NZ LYS A 78 3.579 0.387 10.419 1.00 4.02 N ATOM 0 H LYS A 78 0.177 1.443 7.183 1.00 42.43 H new ATOM 0 HA LYS A 78 -0.983 -1.110 6.280 1.00 32.35 H new ATOM 0 HB2 LYS A 78 0.283 -2.362 7.901 1.00 52.44 H new ATOM 0 HB3 LYS A 78 1.393 -1.556 6.812 1.00 52.44 H new ATOM 0 HG2 LYS A 78 1.703 0.248 8.554 1.00 43.25 H new ATOM 0 HG3 LYS A 78 0.703 -0.690 9.645 1.00 43.25 H new ATOM 0 HD2 LYS A 78 2.321 -2.626 9.355 1.00 1.53 H new ATOM 0 HD3 LYS A 78 3.353 -1.562 8.420 1.00 1.53 H new ATOM 0 HE2 LYS A 78 2.548 -1.218 11.334 1.00 1.10 H new ATOM 0 HE3 LYS A 78 4.140 -1.630 10.728 1.00 1.10 H new ATOM 0 HZ1 LYS A 78 4.179 0.651 11.226 1.00 4.02 H new ATOM 0 HZ2 LYS A 78 4.091 0.570 9.532 1.00 4.02 H new ATOM 0 HZ3 LYS A 78 2.706 0.951 10.438 1.00 4.02 H new ATOM 1219 N ILE A 79 -2.522 -1.038 8.272 1.00 5.53 N ATOM 1220 CA ILE A 79 -3.561 -0.826 9.269 1.00 2.43 C ATOM 1221 C ILE A 79 -3.071 -1.265 10.647 1.00 15.43 C ATOM 1222 O ILE A 79 -2.435 -2.312 10.789 1.00 50.34 O ATOM 1223 CB ILE A 79 -4.867 -1.575 8.905 1.00 61.01 C ATOM 1224 CG1 ILE A 79 -5.980 -1.224 9.907 1.00 71.12 C ATOM 1225 CG2 ILE A 79 -4.640 -3.088 8.850 1.00 65.35 C ATOM 1226 CD1 ILE A 79 -7.313 -1.865 9.591 1.00 52.24 C ATOM 0 H ILE A 79 -2.664 -1.858 7.682 1.00 5.53 H new ATOM 0 HA ILE A 79 -3.784 0.241 9.289 1.00 2.43 H new ATOM 0 HB ILE A 79 -5.180 -1.252 7.912 1.00 61.01 H new ATOM 0 HG12 ILE A 79 -5.667 -1.532 10.905 1.00 71.12 H new ATOM 0 HG13 ILE A 79 -6.105 -0.141 9.932 1.00 71.12 H new ATOM 0 HG21 ILE A 79 -5.574 -3.587 8.592 1.00 65.35 H new ATOM 0 HG22 ILE A 79 -3.887 -3.316 8.096 1.00 65.35 H new ATOM 0 HG23 ILE A 79 -4.297 -3.440 9.823 1.00 65.35 H new ATOM 0 HD11 ILE A 79 -8.046 -1.570 10.342 1.00 52.24 H new ATOM 0 HD12 ILE A 79 -7.650 -1.538 8.607 1.00 52.24 H new ATOM 0 HD13 ILE A 79 -7.205 -2.950 9.596 1.00 52.24 H new ATOM 1238 N ASN A 80 -3.338 -0.440 11.652 1.00 73.40 N ATOM 1239 CA ASN A 80 -2.935 -0.740 13.024 1.00 2.31 C ATOM 1240 C ASN A 80 -4.152 -1.125 13.865 1.00 33.44 C ATOM 1241 O ASN A 80 -4.080 -2.015 14.717 1.00 33.30 O ATOM 1242 CB ASN A 80 -2.230 0.476 13.643 1.00 0.32 C ATOM 1243 CG ASN A 80 -1.520 0.146 14.947 1.00 31.15 C ATOM 1244 OD1 ASN A 80 -0.339 -0.209 14.947 1.00 33.43 O ATOM 1245 ND2 ASN A 80 -2.226 0.263 16.062 1.00 44.25 N ATOM 0 H ASN A 80 -3.833 0.445 11.544 1.00 73.40 H new ATOM 0 HA ASN A 80 -2.243 -1.582 13.008 1.00 2.31 H new ATOM 0 HB2 ASN A 80 -1.506 0.872 12.931 1.00 0.32 H new ATOM 0 HB3 ASN A 80 -2.963 1.262 13.823 1.00 0.32 H new ATOM 0 HD21 ASN A 80 -1.795 0.056 16.963 1.00 44.25 H new ATOM 0 HD22 ASN A 80 -3.201 0.560 16.020 1.00 44.25 H new ATOM 1252 N ILE A 81 -5.274 -0.451 13.609 1.00 41.21 N ATOM 1253 CA ILE A 81 -6.502 -0.669 14.367 1.00 50.01 C ATOM 1254 C ILE A 81 -7.243 -1.899 13.839 1.00 44.41 C ATOM 1255 O ILE A 81 -7.888 -1.850 12.786 1.00 34.31 O ATOM 1256 CB ILE A 81 -7.451 0.568 14.328 1.00 51.10 C ATOM 1257 CG1 ILE A 81 -6.778 1.815 14.944 1.00 64.31 C ATOM 1258 CG2 ILE A 81 -8.760 0.265 15.060 1.00 74.32 C ATOM 1259 CD1 ILE A 81 -5.657 2.407 14.110 1.00 5.00 C ATOM 0 H ILE A 81 -5.355 0.255 12.877 1.00 41.21 H new ATOM 0 HA ILE A 81 -6.209 -0.831 15.404 1.00 50.01 H new ATOM 0 HB ILE A 81 -7.670 0.782 13.282 1.00 51.10 H new ATOM 0 HG12 ILE A 81 -7.538 2.580 15.103 1.00 64.31 H new ATOM 0 HG13 ILE A 81 -6.382 1.551 15.925 1.00 64.31 H new ATOM 0 HG21 ILE A 81 -9.409 1.140 15.022 1.00 74.32 H new ATOM 0 HG22 ILE A 81 -9.258 -0.578 14.581 1.00 74.32 H new ATOM 0 HG23 ILE A 81 -8.546 0.017 16.100 1.00 74.32 H new ATOM 0 HD11 ILE A 81 -5.244 3.277 14.620 1.00 5.00 H new ATOM 0 HD12 ILE A 81 -4.873 1.662 13.972 1.00 5.00 H new ATOM 0 HD13 ILE A 81 -6.047 2.708 13.137 1.00 5.00 H new ATOM 1271 N GLU A 82 -7.137 -2.994 14.582 1.00 11.12 N ATOM 1272 CA GLU A 82 -7.759 -4.268 14.218 1.00 62.33 C ATOM 1273 C GLU A 82 -9.278 -4.135 14.058 1.00 42.25 C ATOM 1274 O GLU A 82 -9.902 -4.904 13.323 1.00 51.42 O ATOM 1275 CB GLU A 82 -7.436 -5.350 15.269 1.00 51.04 C ATOM 1276 CG GLU A 82 -7.899 -5.024 16.692 1.00 33.20 C ATOM 1277 CD GLU A 82 -7.026 -3.990 17.393 1.00 2.42 C ATOM 1278 OE1 GLU A 82 -7.307 -2.777 17.277 1.00 63.32 O ATOM 1279 OE2 GLU A 82 -6.048 -4.387 18.061 1.00 24.11 O ATOM 0 H GLU A 82 -6.616 -3.027 15.458 1.00 11.12 H new ATOM 0 HA GLU A 82 -7.343 -4.566 13.255 1.00 62.33 H new ATOM 0 HB2 GLU A 82 -7.897 -6.287 14.958 1.00 51.04 H new ATOM 0 HB3 GLU A 82 -6.358 -5.514 15.281 1.00 51.04 H new ATOM 0 HG2 GLU A 82 -8.925 -4.658 16.657 1.00 33.20 H new ATOM 0 HG3 GLU A 82 -7.908 -5.941 17.282 1.00 33.20 H new ATOM 1286 N ASP A 83 -9.867 -3.148 14.729 1.00 23.32 N ATOM 1287 CA ASP A 83 -11.318 -2.940 14.679 1.00 73.14 C ATOM 1288 C ASP A 83 -11.752 -2.407 13.317 1.00 41.20 C ATOM 1289 O ASP A 83 -12.912 -2.547 12.929 1.00 15.22 O ATOM 1290 CB ASP A 83 -11.773 -1.957 15.771 1.00 10.40 C ATOM 1291 CG ASP A 83 -11.679 -2.534 17.173 1.00 20.34 C ATOM 1292 OD1 ASP A 83 -12.637 -3.210 17.609 1.00 75.44 O ATOM 1293 OD2 ASP A 83 -10.655 -2.315 17.848 1.00 10.40 O ATOM 0 H ASP A 83 -9.366 -2.479 15.314 1.00 23.32 H new ATOM 0 HA ASP A 83 -11.786 -3.909 14.849 1.00 73.14 H new ATOM 0 HB2 ASP A 83 -11.164 -1.055 15.715 1.00 10.40 H new ATOM 0 HB3 ASP A 83 -12.803 -1.659 15.576 1.00 10.40 H new ATOM 1298 N ASN A 84 -10.814 -1.814 12.583 1.00 55.50 N ATOM 1299 CA ASN A 84 -11.125 -1.191 11.295 1.00 72.10 C ATOM 1300 C ASN A 84 -10.698 -2.074 10.130 1.00 2.34 C ATOM 1301 O ASN A 84 -10.686 -1.633 8.983 1.00 64.55 O ATOM 1302 CB ASN A 84 -10.445 0.178 11.177 1.00 22.41 C ATOM 1303 CG ASN A 84 -10.988 1.213 12.152 1.00 34.42 C ATOM 1304 OD1 ASN A 84 -10.253 2.086 12.608 1.00 50.14 O ATOM 1305 ND2 ASN A 84 -12.279 1.143 12.462 1.00 62.44 N ATOM 0 H ASN A 84 -9.833 -1.751 12.856 1.00 55.50 H new ATOM 0 HA ASN A 84 -12.206 -1.061 11.251 1.00 72.10 H new ATOM 0 HB2 ASN A 84 -9.375 0.059 11.345 1.00 22.41 H new ATOM 0 HB3 ASN A 84 -10.568 0.549 10.160 1.00 22.41 H new ATOM 0 HD21 ASN A 84 -12.689 1.828 13.097 1.00 62.44 H new ATOM 0 HD22 ASN A 84 -12.860 0.404 12.065 1.00 62.44 H new ATOM 1312 N GLN A 85 -10.376 -3.330 10.418 1.00 25.51 N ATOM 1313 CA GLN A 85 -9.934 -4.258 9.370 1.00 22.53 C ATOM 1314 C GLN A 85 -11.102 -4.606 8.451 1.00 25.42 C ATOM 1315 O GLN A 85 -10.923 -5.228 7.408 1.00 24.23 O ATOM 1316 CB GLN A 85 -9.324 -5.535 9.972 1.00 34.21 C ATOM 1317 CG GLN A 85 -10.354 -6.536 10.482 1.00 2.44 C ATOM 1318 CD GLN A 85 -9.733 -7.703 11.235 1.00 4.40 C ATOM 1319 OE1 GLN A 85 -10.335 -8.253 12.155 1.00 12.30 O ATOM 1320 NE2 GLN A 85 -8.527 -8.096 10.848 1.00 74.32 N ATOM 0 H GLN A 85 -10.410 -3.731 11.355 1.00 25.51 H new ATOM 0 HA GLN A 85 -9.157 -3.764 8.786 1.00 22.53 H new ATOM 0 HB2 GLN A 85 -8.705 -6.020 9.217 1.00 34.21 H new ATOM 0 HB3 GLN A 85 -8.665 -5.257 10.795 1.00 34.21 H new ATOM 0 HG2 GLN A 85 -11.057 -6.022 11.137 1.00 2.44 H new ATOM 0 HG3 GLN A 85 -10.927 -6.920 9.638 1.00 2.44 H new ATOM 0 HE21 GLN A 85 -8.056 -7.617 10.081 1.00 74.32 H new ATOM 0 HE22 GLN A 85 -8.070 -8.878 11.318 1.00 74.32 H new ATOM 1329 N ASP A 86 -12.296 -4.189 8.862 1.00 33.24 N ATOM 1330 CA ASP A 86 -13.516 -4.377 8.078 1.00 53.32 C ATOM 1331 C ASP A 86 -13.346 -3.801 6.673 1.00 12.14 C ATOM 1332 O ASP A 86 -13.913 -4.314 5.705 1.00 22.04 O ATOM 1333 CB ASP A 86 -14.692 -3.709 8.803 1.00 33.20 C ATOM 1334 CG ASP A 86 -16.036 -4.042 8.178 1.00 23.25 C ATOM 1335 OD1 ASP A 86 -16.423 -5.230 8.201 1.00 35.53 O ATOM 1336 OD2 ASP A 86 -16.716 -3.121 7.675 1.00 2.53 O ATOM 0 H ASP A 86 -12.447 -3.710 9.750 1.00 33.24 H new ATOM 0 HA ASP A 86 -13.719 -5.443 7.977 1.00 53.32 H new ATOM 0 HB2 ASP A 86 -14.694 -4.023 9.847 1.00 33.20 H new ATOM 0 HB3 ASP A 86 -14.551 -2.628 8.795 1.00 33.20 H new ATOM 1341 N VAL A 87 -12.529 -2.747 6.572 1.00 11.31 N ATOM 1342 CA VAL A 87 -12.190 -2.134 5.288 1.00 14.32 C ATOM 1343 C VAL A 87 -11.666 -3.192 4.313 1.00 22.43 C ATOM 1344 O VAL A 87 -11.985 -3.177 3.120 1.00 43.44 O ATOM 1345 CB VAL A 87 -11.119 -1.021 5.463 1.00 71.34 C ATOM 1346 CG1 VAL A 87 -10.773 -0.372 4.124 1.00 50.15 C ATOM 1347 CG2 VAL A 87 -11.589 0.030 6.469 1.00 70.40 C ATOM 0 H VAL A 87 -12.087 -2.299 7.375 1.00 11.31 H new ATOM 0 HA VAL A 87 -13.099 -1.686 4.886 1.00 14.32 H new ATOM 0 HB VAL A 87 -10.214 -1.487 5.852 1.00 71.34 H new ATOM 0 HG11 VAL A 87 -10.022 0.402 4.278 1.00 50.15 H new ATOM 0 HG12 VAL A 87 -10.381 -1.128 3.444 1.00 50.15 H new ATOM 0 HG13 VAL A 87 -11.670 0.073 3.693 1.00 50.15 H new ATOM 0 HG21 VAL A 87 -10.824 0.799 6.576 1.00 70.40 H new ATOM 0 HG22 VAL A 87 -12.514 0.485 6.115 1.00 70.40 H new ATOM 0 HG23 VAL A 87 -11.765 -0.444 7.435 1.00 70.40 H new ATOM 1357 N ALA A 88 -10.880 -4.124 4.850 1.00 25.03 N ATOM 1358 CA ALA A 88 -10.316 -5.217 4.067 1.00 51.33 C ATOM 1359 C ALA A 88 -11.426 -6.021 3.391 1.00 43.41 C ATOM 1360 O ALA A 88 -11.436 -6.185 2.167 1.00 43.22 O ATOM 1361 CB ALA A 88 -9.472 -6.119 4.965 1.00 60.20 C ATOM 0 H ALA A 88 -10.618 -4.141 5.836 1.00 25.03 H new ATOM 0 HA ALA A 88 -9.677 -4.799 3.289 1.00 51.33 H new ATOM 0 HB1 ALA A 88 -9.054 -6.933 4.373 1.00 60.20 H new ATOM 0 HB2 ALA A 88 -8.662 -5.538 5.406 1.00 60.20 H new ATOM 0 HB3 ALA A 88 -10.097 -6.530 5.758 1.00 60.20 H new ATOM 1367 N THR A 89 -12.372 -6.488 4.200 1.00 11.24 N ATOM 1368 CA THR A 89 -13.491 -7.286 3.717 1.00 1.01 C ATOM 1369 C THR A 89 -14.322 -6.497 2.700 1.00 22.13 C ATOM 1370 O THR A 89 -14.771 -7.039 1.689 1.00 73.44 O ATOM 1371 CB THR A 89 -14.394 -7.718 4.898 1.00 44.21 C ATOM 1372 OG1 THR A 89 -13.583 -8.231 5.964 1.00 55.24 O ATOM 1373 CG2 THR A 89 -15.403 -8.779 4.468 1.00 22.33 C ATOM 0 H THR A 89 -12.384 -6.324 5.207 1.00 11.24 H new ATOM 0 HA THR A 89 -13.086 -8.173 3.230 1.00 1.01 H new ATOM 0 HB THR A 89 -14.946 -6.842 5.239 1.00 44.21 H new ATOM 0 HG1 THR A 89 -14.157 -8.502 6.711 1.00 55.24 H new ATOM 0 HG21 THR A 89 -16.021 -9.060 5.321 1.00 22.33 H new ATOM 0 HG22 THR A 89 -16.037 -8.379 3.677 1.00 22.33 H new ATOM 0 HG23 THR A 89 -14.873 -9.657 4.099 1.00 22.33 H new ATOM 1381 N GLN A 90 -14.499 -5.205 2.975 1.00 75.54 N ATOM 1382 CA GLN A 90 -15.315 -4.331 2.133 1.00 20.33 C ATOM 1383 C GLN A 90 -14.720 -4.173 0.732 1.00 74.52 C ATOM 1384 O GLN A 90 -15.440 -4.250 -0.269 1.00 31.40 O ATOM 1385 CB GLN A 90 -15.473 -2.961 2.805 1.00 35.33 C ATOM 1386 CG GLN A 90 -16.263 -3.014 4.107 1.00 41.11 C ATOM 1387 CD GLN A 90 -17.720 -3.388 3.887 1.00 23.44 C ATOM 1388 OE1 GLN A 90 -18.570 -2.524 3.665 1.00 13.23 O ATOM 1389 NE2 GLN A 90 -18.027 -4.676 3.964 1.00 2.44 N ATOM 0 H GLN A 90 -14.084 -4.738 3.781 1.00 75.54 H new ATOM 0 HA GLN A 90 -16.295 -4.794 2.019 1.00 20.33 H new ATOM 0 HB2 GLN A 90 -14.485 -2.546 3.005 1.00 35.33 H new ATOM 0 HB3 GLN A 90 -15.971 -2.281 2.114 1.00 35.33 H new ATOM 0 HG2 GLN A 90 -15.802 -3.738 4.779 1.00 41.11 H new ATOM 0 HG3 GLN A 90 -16.211 -2.043 4.600 1.00 41.11 H new ATOM 0 HE21 GLN A 90 -17.297 -5.364 4.149 1.00 2.44 H new ATOM 0 HE22 GLN A 90 -18.993 -4.978 3.838 1.00 2.44 H new ATOM 1398 N TYR A 91 -13.409 -3.955 0.661 1.00 31.04 N ATOM 1399 CA TYR A 91 -12.735 -3.770 -0.627 1.00 24.04 C ATOM 1400 C TYR A 91 -12.467 -5.112 -1.314 1.00 42.10 C ATOM 1401 O TYR A 91 -12.321 -5.169 -2.539 1.00 34.52 O ATOM 1402 CB TYR A 91 -11.441 -2.961 -0.454 1.00 0.34 C ATOM 1403 CG TYR A 91 -11.692 -1.477 -0.217 1.00 40.31 C ATOM 1404 CD1 TYR A 91 -12.334 -1.034 0.935 1.00 22.42 C ATOM 1405 CD2 TYR A 91 -11.297 -0.523 -1.153 1.00 22.44 C ATOM 1406 CE1 TYR A 91 -12.579 0.310 1.146 1.00 71.01 C ATOM 1407 CE2 TYR A 91 -11.536 0.823 -0.945 1.00 12.34 C ATOM 1408 CZ TYR A 91 -12.176 1.235 0.206 1.00 74.12 C ATOM 1409 OH TYR A 91 -12.423 2.576 0.413 1.00 50.05 O ATOM 0 H TYR A 91 -12.794 -3.902 1.473 1.00 31.04 H new ATOM 0 HA TYR A 91 -13.401 -3.201 -1.276 1.00 24.04 H new ATOM 0 HB2 TYR A 91 -10.875 -3.366 0.385 1.00 0.34 H new ATOM 0 HB3 TYR A 91 -10.822 -3.081 -1.343 1.00 0.34 H new ATOM 0 HD1 TYR A 91 -12.647 -1.753 1.678 1.00 22.42 H new ATOM 0 HD2 TYR A 91 -10.796 -0.840 -2.056 1.00 22.44 H new ATOM 0 HE1 TYR A 91 -13.084 0.634 2.044 1.00 71.01 H new ATOM 0 HE2 TYR A 91 -11.223 1.549 -1.681 1.00 12.34 H new ATOM 0 HH TYR A 91 -12.074 3.093 -0.343 1.00 50.05 H new ATOM 1419 N GLY A 92 -12.421 -6.189 -0.533 1.00 1.44 N ATOM 1420 CA GLY A 92 -12.312 -7.526 -1.107 1.00 41.21 C ATOM 1421 C GLY A 92 -10.967 -8.180 -0.847 1.00 74.25 C ATOM 1422 O GLY A 92 -10.333 -8.708 -1.765 1.00 63.33 O ATOM 0 H GLY A 92 -12.457 -6.163 0.486 1.00 1.44 H new ATOM 0 HA2 GLY A 92 -13.101 -8.156 -0.696 1.00 41.21 H new ATOM 0 HA3 GLY A 92 -12.479 -7.467 -2.183 1.00 41.21 H new ATOM 1426 N VAL A 93 -10.532 -8.143 0.405 1.00 11.14 N ATOM 1427 CA VAL A 93 -9.295 -8.797 0.821 1.00 0.13 C ATOM 1428 C VAL A 93 -9.601 -10.192 1.367 1.00 71.24 C ATOM 1429 O VAL A 93 -10.218 -10.331 2.422 1.00 21.32 O ATOM 1430 CB VAL A 93 -8.555 -7.961 1.893 1.00 5.42 C ATOM 1431 CG1 VAL A 93 -7.322 -8.693 2.419 1.00 44.54 C ATOM 1432 CG2 VAL A 93 -8.175 -6.593 1.329 1.00 73.22 C ATOM 0 H VAL A 93 -11.022 -7.662 1.159 1.00 11.14 H new ATOM 0 HA VAL A 93 -8.646 -8.883 -0.051 1.00 0.13 H new ATOM 0 HB VAL A 93 -9.233 -7.816 2.734 1.00 5.42 H new ATOM 0 HG11 VAL A 93 -6.826 -8.078 3.170 1.00 44.54 H new ATOM 0 HG12 VAL A 93 -7.624 -9.639 2.867 1.00 44.54 H new ATOM 0 HG13 VAL A 93 -6.634 -8.885 1.596 1.00 44.54 H new ATOM 0 HG21 VAL A 93 -7.655 -6.016 2.094 1.00 73.22 H new ATOM 0 HG22 VAL A 93 -7.522 -6.724 0.466 1.00 73.22 H new ATOM 0 HG23 VAL A 93 -9.077 -6.062 1.024 1.00 73.22 H new ATOM 1442 N SER A 94 -9.176 -11.218 0.634 1.00 1.54 N ATOM 1443 CA SER A 94 -9.475 -12.603 0.990 1.00 65.14 C ATOM 1444 C SER A 94 -8.212 -13.338 1.455 1.00 65.41 C ATOM 1445 O SER A 94 -8.169 -14.573 1.470 1.00 50.13 O ATOM 1446 CB SER A 94 -10.106 -13.316 -0.218 1.00 23.31 C ATOM 1447 OG SER A 94 -10.527 -14.632 0.111 1.00 10.43 O ATOM 0 H SER A 94 -8.620 -11.115 -0.215 1.00 1.54 H new ATOM 0 HA SER A 94 -10.182 -12.609 1.820 1.00 65.14 H new ATOM 0 HB2 SER A 94 -10.959 -12.740 -0.576 1.00 23.31 H new ATOM 0 HB3 SER A 94 -9.384 -13.358 -1.034 1.00 23.31 H new ATOM 0 HG SER A 94 -9.857 -15.055 0.688 1.00 10.43 H new ATOM 1453 N ALA A 95 -7.195 -12.580 1.852 1.00 73.20 N ATOM 1454 CA ALA A 95 -5.939 -13.156 2.330 1.00 24.12 C ATOM 1455 C ALA A 95 -5.296 -12.230 3.357 1.00 34.41 C ATOM 1456 O ALA A 95 -5.467 -11.016 3.282 1.00 15.00 O ATOM 1457 CB ALA A 95 -4.984 -13.406 1.162 1.00 13.11 C ATOM 0 H ALA A 95 -7.215 -11.560 1.853 1.00 73.20 H new ATOM 0 HA ALA A 95 -6.153 -14.113 2.807 1.00 24.12 H new ATOM 0 HB1 ALA A 95 -4.055 -13.835 1.537 1.00 13.11 H new ATOM 0 HB2 ALA A 95 -5.445 -14.098 0.457 1.00 13.11 H new ATOM 0 HB3 ALA A 95 -4.771 -12.463 0.658 1.00 13.11 H new ATOM 1463 N ILE A 96 -4.561 -12.803 4.312 1.00 0.05 N ATOM 1464 CA ILE A 96 -3.904 -12.007 5.353 1.00 54.54 C ATOM 1465 C ILE A 96 -2.888 -11.029 4.736 1.00 50.04 C ATOM 1466 O ILE A 96 -2.979 -9.823 4.968 1.00 43.32 O ATOM 1467 CB ILE A 96 -3.211 -12.894 6.429 1.00 15.53 C ATOM 1468 CG1 ILE A 96 -4.228 -13.851 7.075 1.00 22.21 C ATOM 1469 CG2 ILE A 96 -2.532 -12.027 7.495 1.00 64.42 C ATOM 1470 CD1 ILE A 96 -3.625 -14.782 8.111 1.00 23.22 C ATOM 0 H ILE A 96 -4.406 -13.808 4.387 1.00 0.05 H new ATOM 0 HA ILE A 96 -4.687 -11.438 5.854 1.00 54.54 H new ATOM 0 HB ILE A 96 -2.442 -13.489 5.937 1.00 15.53 H new ATOM 0 HG12 ILE A 96 -5.017 -13.264 7.544 1.00 22.21 H new ATOM 0 HG13 ILE A 96 -4.697 -14.448 6.293 1.00 22.21 H new ATOM 0 HG21 ILE A 96 -2.055 -12.668 8.236 1.00 64.42 H new ATOM 0 HG22 ILE A 96 -1.780 -11.394 7.024 1.00 64.42 H new ATOM 0 HG23 ILE A 96 -3.278 -11.401 7.984 1.00 64.42 H new ATOM 0 HD11 ILE A 96 -4.404 -15.425 8.520 1.00 23.22 H new ATOM 0 HD12 ILE A 96 -2.856 -15.397 7.644 1.00 23.22 H new ATOM 0 HD13 ILE A 96 -3.181 -14.194 8.914 1.00 23.22 H new ATOM 1482 N PRO A 97 -1.915 -11.517 3.927 1.00 10.25 N ATOM 1483 CA PRO A 97 -0.971 -10.639 3.245 1.00 3.53 C ATOM 1484 C PRO A 97 -1.532 -10.155 1.907 1.00 42.13 C ATOM 1485 O PRO A 97 -1.498 -10.876 0.907 1.00 24.24 O ATOM 1486 CB PRO A 97 0.251 -11.542 3.050 1.00 64.15 C ATOM 1487 CG PRO A 97 -0.315 -12.918 2.884 1.00 20.22 C ATOM 1488 CD PRO A 97 -1.647 -12.940 3.609 1.00 40.12 C ATOM 0 HA PRO A 97 -0.746 -9.729 3.801 1.00 3.53 H new ATOM 0 HB2 PRO A 97 0.828 -11.243 2.175 1.00 64.15 H new ATOM 0 HB3 PRO A 97 0.922 -11.491 3.907 1.00 64.15 H new ATOM 0 HG2 PRO A 97 -0.446 -13.156 1.828 1.00 20.22 H new ATOM 0 HG3 PRO A 97 0.362 -13.666 3.298 1.00 20.22 H new ATOM 0 HD2 PRO A 97 -2.433 -13.363 2.984 1.00 40.12 H new ATOM 0 HD3 PRO A 97 -1.598 -13.547 4.513 1.00 40.12 H new ATOM 1496 N THR A 98 -2.083 -8.950 1.904 1.00 22.02 N ATOM 1497 CA THR A 98 -2.673 -8.375 0.699 1.00 72.23 C ATOM 1498 C THR A 98 -2.345 -6.888 0.606 1.00 3.30 C ATOM 1499 O THR A 98 -2.296 -6.192 1.620 1.00 3.33 O ATOM 1500 CB THR A 98 -4.207 -8.570 0.685 1.00 75.41 C ATOM 1501 OG1 THR A 98 -4.524 -9.956 0.888 1.00 34.34 O ATOM 1502 CG2 THR A 98 -4.819 -8.099 -0.632 1.00 53.30 C ATOM 0 H THR A 98 -2.135 -8.347 2.725 1.00 22.02 H new ATOM 0 HA THR A 98 -2.249 -8.893 -0.161 1.00 72.23 H new ATOM 0 HB THR A 98 -4.627 -7.969 1.492 1.00 75.41 H new ATOM 0 HG1 THR A 98 -4.850 -10.086 1.803 1.00 34.34 H new ATOM 0 HG21 THR A 98 -5.898 -8.251 -0.607 1.00 53.30 H new ATOM 0 HG22 THR A 98 -4.605 -7.040 -0.774 1.00 53.30 H new ATOM 0 HG23 THR A 98 -4.392 -8.670 -1.456 1.00 53.30 H new ATOM 1510 N ILE A 99 -2.100 -6.416 -0.610 1.00 30.13 N ATOM 1511 CA ILE A 99 -1.773 -5.017 -0.848 1.00 64.04 C ATOM 1512 C ILE A 99 -2.888 -4.341 -1.639 1.00 40.21 C ATOM 1513 O ILE A 99 -3.185 -4.742 -2.767 1.00 22.21 O ATOM 1514 CB ILE A 99 -0.436 -4.851 -1.627 1.00 61.23 C ATOM 1515 CG1 ILE A 99 0.755 -5.399 -0.820 1.00 3.14 C ATOM 1516 CG2 ILE A 99 -0.197 -3.381 -1.990 1.00 14.34 C ATOM 1517 CD1 ILE A 99 0.811 -6.912 -0.701 1.00 73.23 C ATOM 0 H ILE A 99 -2.122 -6.989 -1.454 1.00 30.13 H new ATOM 0 HA ILE A 99 -1.663 -4.548 0.130 1.00 64.04 H new ATOM 0 HB ILE A 99 -0.518 -5.430 -2.547 1.00 61.23 H new ATOM 0 HG12 ILE A 99 1.678 -5.052 -1.284 1.00 3.14 H new ATOM 0 HG13 ILE A 99 0.722 -4.972 0.182 1.00 3.14 H new ATOM 0 HG21 ILE A 99 0.743 -3.289 -2.534 1.00 14.34 H new ATOM 0 HG22 ILE A 99 -1.015 -3.023 -2.615 1.00 14.34 H new ATOM 0 HG23 ILE A 99 -0.149 -2.784 -1.079 1.00 14.34 H new ATOM 0 HD11 ILE A 99 1.684 -7.199 -0.115 1.00 73.23 H new ATOM 0 HD12 ILE A 99 -0.091 -7.272 -0.207 1.00 73.23 H new ATOM 0 HD13 ILE A 99 0.880 -7.353 -1.695 1.00 73.23 H new ATOM 1529 N LEU A 100 -3.513 -3.336 -1.041 1.00 64.43 N ATOM 1530 CA LEU A 100 -4.483 -2.504 -1.744 1.00 33.22 C ATOM 1531 C LEU A 100 -3.764 -1.279 -2.288 1.00 13.14 C ATOM 1532 O LEU A 100 -3.142 -0.539 -1.525 1.00 22.20 O ATOM 1533 CB LEU A 100 -5.619 -2.070 -0.800 1.00 31.40 C ATOM 1534 CG LEU A 100 -6.471 -3.208 -0.216 1.00 42.41 C ATOM 1535 CD1 LEU A 100 -7.513 -2.658 0.758 1.00 23.25 C ATOM 1536 CD2 LEU A 100 -7.142 -4.011 -1.330 1.00 61.00 C ATOM 0 H LEU A 100 -3.365 -3.075 -0.066 1.00 64.43 H new ATOM 0 HA LEU A 100 -4.925 -3.076 -2.560 1.00 33.22 H new ATOM 0 HB2 LEU A 100 -5.185 -1.505 0.025 1.00 31.40 H new ATOM 0 HB3 LEU A 100 -6.276 -1.389 -1.341 1.00 31.40 H new ATOM 0 HG LEU A 100 -5.811 -3.878 0.334 1.00 42.41 H new ATOM 0 HD11 LEU A 100 -8.105 -3.480 1.160 1.00 23.25 H new ATOM 0 HD12 LEU A 100 -7.010 -2.140 1.575 1.00 23.25 H new ATOM 0 HD13 LEU A 100 -8.168 -1.961 0.235 1.00 23.25 H new ATOM 0 HD21 LEU A 100 -7.740 -4.811 -0.893 1.00 61.00 H new ATOM 0 HD22 LEU A 100 -7.787 -3.354 -1.914 1.00 61.00 H new ATOM 0 HD23 LEU A 100 -6.379 -4.441 -1.979 1.00 61.00 H new ATOM 1548 N MET A 101 -3.835 -1.062 -3.592 1.00 44.32 N ATOM 1549 CA MET A 101 -3.128 0.052 -4.216 1.00 3.34 C ATOM 1550 C MET A 101 -4.094 1.206 -4.466 1.00 70.31 C ATOM 1551 O MET A 101 -5.274 0.980 -4.737 1.00 11.40 O ATOM 1552 CB MET A 101 -2.480 -0.404 -5.537 1.00 64.42 C ATOM 1553 CG MET A 101 -1.597 -1.641 -5.404 1.00 61.41 C ATOM 1554 SD MET A 101 -0.609 -1.953 -6.881 1.00 41.32 S ATOM 1555 CE MET A 101 0.395 -0.471 -6.934 1.00 14.05 C ATOM 0 H MET A 101 -4.372 -1.639 -4.239 1.00 44.32 H new ATOM 0 HA MET A 101 -2.340 0.394 -3.545 1.00 3.34 H new ATOM 0 HB2 MET A 101 -3.267 -0.609 -6.263 1.00 64.42 H new ATOM 0 HB3 MET A 101 -1.882 0.415 -5.937 1.00 64.42 H new ATOM 0 HG2 MET A 101 -0.934 -1.519 -4.547 1.00 61.41 H new ATOM 0 HG3 MET A 101 -2.224 -2.509 -5.201 1.00 61.41 H new ATOM 0 HE1 MET A 101 1.408 -0.729 -7.244 1.00 14.05 H new ATOM 0 HE2 MET A 101 -0.034 0.234 -7.646 1.00 14.05 H new ATOM 0 HE3 MET A 101 0.423 -0.015 -5.944 1.00 14.05 H new ATOM 1565 N PHE A 102 -3.590 2.437 -4.370 1.00 11.14 N ATOM 1566 CA PHE A 102 -4.374 3.647 -4.646 1.00 64.11 C ATOM 1567 C PHE A 102 -3.452 4.741 -5.184 1.00 54.15 C ATOM 1568 O PHE A 102 -2.239 4.650 -5.031 1.00 72.33 O ATOM 1569 CB PHE A 102 -5.081 4.142 -3.374 1.00 4.30 C ATOM 1570 CG PHE A 102 -6.087 3.164 -2.811 1.00 34.23 C ATOM 1571 CD1 PHE A 102 -7.364 3.074 -3.350 1.00 11.32 C ATOM 1572 CD2 PHE A 102 -5.753 2.330 -1.750 1.00 63.14 C ATOM 1573 CE1 PHE A 102 -8.283 2.174 -2.843 1.00 52.25 C ATOM 1574 CE2 PHE A 102 -6.669 1.430 -1.244 1.00 51.11 C ATOM 1575 CZ PHE A 102 -7.936 1.352 -1.790 1.00 75.40 C ATOM 0 H PHE A 102 -2.625 2.626 -4.098 1.00 11.14 H new ATOM 0 HA PHE A 102 -5.134 3.408 -5.390 1.00 64.11 H new ATOM 0 HB2 PHE A 102 -4.331 4.355 -2.613 1.00 4.30 H new ATOM 0 HB3 PHE A 102 -5.587 5.082 -3.594 1.00 4.30 H new ATOM 0 HD1 PHE A 102 -7.642 3.714 -4.174 1.00 11.32 H new ATOM 0 HD2 PHE A 102 -4.765 2.387 -1.317 1.00 63.14 H new ATOM 0 HE1 PHE A 102 -9.273 2.114 -3.271 1.00 52.25 H new ATOM 0 HE2 PHE A 102 -6.395 0.786 -0.421 1.00 51.11 H new ATOM 0 HZ PHE A 102 -8.654 0.649 -1.393 1.00 75.40 H new ATOM 1585 N LYS A 103 -4.014 5.764 -5.829 1.00 11.32 N ATOM 1586 CA LYS A 103 -3.209 6.894 -6.303 1.00 65.51 C ATOM 1587 C LYS A 103 -4.036 8.178 -6.348 1.00 31.13 C ATOM 1588 O LYS A 103 -4.897 8.329 -7.211 1.00 52.14 O ATOM 1589 CB LYS A 103 -2.620 6.617 -7.700 1.00 72.30 C ATOM 1590 CG LYS A 103 -1.780 7.777 -8.241 1.00 4.21 C ATOM 1591 CD LYS A 103 -1.343 7.583 -9.696 1.00 62.55 C ATOM 1592 CE LYS A 103 -0.342 6.443 -9.866 1.00 31.45 C ATOM 1593 NZ LYS A 103 0.321 6.501 -11.200 1.00 32.55 N ATOM 0 H LYS A 103 -5.011 5.835 -6.034 1.00 11.32 H new ATOM 0 HA LYS A 103 -2.390 7.021 -5.595 1.00 65.51 H new ATOM 0 HB2 LYS A 103 -2.003 5.720 -7.656 1.00 72.30 H new ATOM 0 HB3 LYS A 103 -3.433 6.410 -8.396 1.00 72.30 H new ATOM 0 HG2 LYS A 103 -2.354 8.700 -8.162 1.00 4.21 H new ATOM 0 HG3 LYS A 103 -0.895 7.898 -7.616 1.00 4.21 H new ATOM 0 HD2 LYS A 103 -2.221 7.384 -10.311 1.00 62.55 H new ATOM 0 HD3 LYS A 103 -0.899 8.508 -10.064 1.00 62.55 H new ATOM 0 HE2 LYS A 103 0.411 6.497 -9.080 1.00 31.45 H new ATOM 0 HE3 LYS A 103 -0.853 5.487 -9.752 1.00 31.45 H new ATOM 0 HZ1 LYS A 103 1.100 5.813 -11.231 1.00 32.55 H new ATOM 0 HZ2 LYS A 103 -0.371 6.274 -11.942 1.00 32.55 H new ATOM 0 HZ3 LYS A 103 0.698 7.457 -11.359 1.00 32.55 H new ATOM 1607 N ASN A 104 -3.771 9.088 -5.408 1.00 35.11 N ATOM 1608 CA ASN A 104 -4.387 10.422 -5.401 1.00 1.44 C ATOM 1609 C ASN A 104 -5.921 10.328 -5.423 1.00 51.53 C ATOM 1610 O ASN A 104 -6.604 11.154 -6.031 1.00 0.13 O ATOM 1611 CB ASN A 104 -3.864 11.238 -6.600 1.00 31.14 C ATOM 1612 CG ASN A 104 -4.277 12.706 -6.574 1.00 63.00 C ATOM 1613 OD1 ASN A 104 -4.490 13.320 -7.622 1.00 53.04 O ATOM 1614 ND2 ASN A 104 -4.367 13.289 -5.385 1.00 13.21 N ATOM 0 H ASN A 104 -3.128 8.925 -4.633 1.00 35.11 H new ATOM 0 HA ASN A 104 -4.110 10.931 -4.478 1.00 1.44 H new ATOM 0 HB2 ASN A 104 -2.776 11.177 -6.622 1.00 31.14 H new ATOM 0 HB3 ASN A 104 -4.227 10.784 -7.522 1.00 31.14 H new ATOM 0 HD21 ASN A 104 -4.619 14.275 -5.318 1.00 13.21 H new ATOM 0 HD22 ASN A 104 -4.184 12.751 -4.538 1.00 13.21 H new ATOM 1621 N GLY A 105 -6.455 9.318 -4.741 1.00 24.10 N ATOM 1622 CA GLY A 105 -7.898 9.121 -4.683 1.00 53.33 C ATOM 1623 C GLY A 105 -8.417 8.250 -5.811 1.00 61.02 C ATOM 1624 O GLY A 105 -9.541 7.749 -5.748 1.00 71.22 O ATOM 0 H GLY A 105 -5.912 8.627 -4.223 1.00 24.10 H new ATOM 0 HA2 GLY A 105 -8.160 8.665 -3.728 1.00 53.33 H new ATOM 0 HA3 GLY A 105 -8.395 10.091 -4.721 1.00 53.33 H new ATOM 1628 N LYS A 106 -7.604 8.072 -6.849 1.00 71.21 N ATOM 1629 CA LYS A 106 -7.969 7.213 -7.972 1.00 45.51 C ATOM 1630 C LYS A 106 -7.723 5.755 -7.600 1.00 4.43 C ATOM 1631 O LYS A 106 -6.758 5.445 -6.887 1.00 64.52 O ATOM 1632 CB LYS A 106 -7.156 7.575 -9.226 1.00 24.43 C ATOM 1633 CG LYS A 106 -7.602 6.837 -10.491 1.00 23.23 C ATOM 1634 CD LYS A 106 -6.683 7.124 -11.676 1.00 13.15 C ATOM 1635 CE LYS A 106 -5.329 6.429 -11.533 1.00 44.44 C ATOM 1636 NZ LYS A 106 -5.452 4.945 -11.602 1.00 45.15 N ATOM 0 H LYS A 106 -6.688 8.511 -6.936 1.00 71.21 H new ATOM 0 HA LYS A 106 -9.026 7.362 -8.194 1.00 45.51 H new ATOM 0 HB2 LYS A 106 -7.232 8.649 -9.398 1.00 24.43 H new ATOM 0 HB3 LYS A 106 -6.105 7.355 -9.041 1.00 24.43 H new ATOM 0 HG2 LYS A 106 -7.620 5.764 -10.298 1.00 23.23 H new ATOM 0 HG3 LYS A 106 -8.621 7.132 -10.743 1.00 23.23 H new ATOM 0 HD2 LYS A 106 -7.165 6.794 -12.596 1.00 13.15 H new ATOM 0 HD3 LYS A 106 -6.531 8.200 -11.764 1.00 13.15 H new ATOM 0 HE2 LYS A 106 -4.660 6.774 -12.321 1.00 44.44 H new ATOM 0 HE3 LYS A 106 -4.875 6.711 -10.583 1.00 44.44 H new ATOM 0 HZ1 LYS A 106 -4.509 4.524 -11.722 1.00 45.15 H new ATOM 0 HZ2 LYS A 106 -5.880 4.591 -10.723 1.00 45.15 H new ATOM 0 HZ3 LYS A 106 -6.054 4.684 -12.409 1.00 45.15 H new ATOM 1650 N LYS A 107 -8.593 4.868 -8.074 1.00 51.44 N ATOM 1651 CA LYS A 107 -8.453 3.443 -7.804 1.00 13.54 C ATOM 1652 C LYS A 107 -7.223 2.871 -8.510 1.00 42.54 C ATOM 1653 O LYS A 107 -6.690 3.466 -9.451 1.00 73.13 O ATOM 1654 CB LYS A 107 -9.724 2.670 -8.188 1.00 23.05 C ATOM 1655 CG LYS A 107 -10.902 2.915 -7.240 1.00 63.32 C ATOM 1656 CD LYS A 107 -10.515 2.651 -5.782 1.00 53.44 C ATOM 1657 CE LYS A 107 -11.686 2.837 -4.820 1.00 54.14 C ATOM 1658 NZ LYS A 107 -12.711 1.767 -4.965 1.00 14.32 N ATOM 0 H LYS A 107 -9.401 5.112 -8.646 1.00 51.44 H new ATOM 0 HA LYS A 107 -8.310 3.322 -6.730 1.00 13.54 H new ATOM 0 HB2 LYS A 107 -10.018 2.951 -9.199 1.00 23.05 H new ATOM 0 HB3 LYS A 107 -9.499 1.604 -8.206 1.00 23.05 H new ATOM 0 HG2 LYS A 107 -11.247 3.944 -7.345 1.00 63.32 H new ATOM 0 HG3 LYS A 107 -11.735 2.269 -7.519 1.00 63.32 H new ATOM 0 HD2 LYS A 107 -10.132 1.635 -5.690 1.00 53.44 H new ATOM 0 HD3 LYS A 107 -9.706 3.323 -5.497 1.00 53.44 H new ATOM 0 HE2 LYS A 107 -11.314 2.845 -3.795 1.00 54.14 H new ATOM 0 HE3 LYS A 107 -12.149 3.807 -4.998 1.00 54.14 H new ATOM 0 HZ1 LYS A 107 -13.461 1.906 -4.258 1.00 14.32 H new ATOM 0 HZ2 LYS A 107 -13.123 1.808 -5.919 1.00 14.32 H new ATOM 0 HZ3 LYS A 107 -12.266 0.838 -4.819 1.00 14.32 H new ATOM 1672 N LEU A 108 -6.812 1.703 -8.047 1.00 63.42 N ATOM 1673 CA LEU A 108 -5.499 1.135 -8.323 1.00 33.25 C ATOM 1674 C LEU A 108 -5.551 -0.361 -8.004 1.00 10.20 C ATOM 1675 O LEU A 108 -6.526 -0.833 -7.418 1.00 24.23 O ATOM 1676 CB LEU A 108 -4.403 1.851 -7.513 1.00 32.32 C ATOM 1677 CG LEU A 108 -3.218 2.435 -8.307 1.00 51.32 C ATOM 1678 CD1 LEU A 108 -2.496 1.355 -9.107 1.00 72.33 C ATOM 1679 CD2 LEU A 108 -3.677 3.569 -9.216 1.00 43.01 C ATOM 0 H LEU A 108 -7.393 1.108 -7.456 1.00 63.42 H new ATOM 0 HA LEU A 108 -5.245 1.274 -9.374 1.00 33.25 H new ATOM 0 HB2 LEU A 108 -4.870 2.662 -6.954 1.00 32.32 H new ATOM 0 HB3 LEU A 108 -4.007 1.147 -6.782 1.00 32.32 H new ATOM 0 HG LEU A 108 -2.508 2.843 -7.587 1.00 51.32 H new ATOM 0 HD11 LEU A 108 -1.666 1.802 -9.655 1.00 72.33 H new ATOM 0 HD12 LEU A 108 -2.114 0.593 -8.428 1.00 72.33 H new ATOM 0 HD13 LEU A 108 -3.191 0.898 -9.811 1.00 72.33 H new ATOM 0 HD21 LEU A 108 -2.822 3.964 -9.765 1.00 43.01 H new ATOM 0 HD22 LEU A 108 -4.419 3.193 -9.921 1.00 43.01 H new ATOM 0 HD23 LEU A 108 -4.119 4.362 -8.613 1.00 43.01 H new ATOM 1691 N SER A 109 -4.531 -1.101 -8.412 1.00 71.10 N ATOM 1692 CA SER A 109 -4.568 -2.558 -8.418 1.00 55.14 C ATOM 1693 C SER A 109 -4.544 -3.152 -7.000 1.00 4.24 C ATOM 1694 O SER A 109 -4.517 -2.433 -5.999 1.00 61.01 O ATOM 1695 CB SER A 109 -3.332 -3.055 -9.173 1.00 70.24 C ATOM 1696 OG SER A 109 -3.354 -2.665 -10.539 1.00 75.02 O ATOM 0 H SER A 109 -3.652 -0.709 -8.749 1.00 71.10 H new ATOM 0 HA SER A 109 -5.497 -2.874 -8.893 1.00 55.14 H new ATOM 0 HB2 SER A 109 -2.433 -2.662 -8.697 1.00 70.24 H new ATOM 0 HB3 SER A 109 -3.278 -4.142 -9.106 1.00 70.24 H new ATOM 0 HG SER A 109 -2.460 -2.775 -10.925 1.00 75.02 H new ATOM 1702 N GLN A 110 -4.581 -4.480 -6.937 1.00 13.25 N ATOM 1703 CA GLN A 110 -4.619 -5.204 -5.673 1.00 73.35 C ATOM 1704 C GLN A 110 -3.719 -6.436 -5.765 1.00 1.15 C ATOM 1705 O GLN A 110 -3.935 -7.306 -6.610 1.00 33.23 O ATOM 1706 CB GLN A 110 -6.066 -5.613 -5.349 1.00 22.30 C ATOM 1707 CG GLN A 110 -6.226 -6.390 -4.048 1.00 70.13 C ATOM 1708 CD GLN A 110 -7.679 -6.730 -3.745 1.00 73.33 C ATOM 1709 OE1 GLN A 110 -8.596 -5.998 -4.123 1.00 25.34 O ATOM 1710 NE2 GLN A 110 -7.900 -7.843 -3.061 1.00 21.02 N ATOM 0 H GLN A 110 -4.585 -5.082 -7.760 1.00 13.25 H new ATOM 0 HA GLN A 110 -4.255 -4.561 -4.872 1.00 73.35 H new ATOM 0 HB2 GLN A 110 -6.682 -4.715 -5.299 1.00 22.30 H new ATOM 0 HB3 GLN A 110 -6.451 -6.219 -6.169 1.00 22.30 H new ATOM 0 HG2 GLN A 110 -5.645 -7.311 -4.105 1.00 70.13 H new ATOM 0 HG3 GLN A 110 -5.815 -5.804 -3.226 1.00 70.13 H new ATOM 0 HE21 GLN A 110 -7.116 -8.424 -2.765 1.00 21.02 H new ATOM 0 HE22 GLN A 110 -8.855 -8.119 -2.831 1.00 21.02 H new ATOM 1719 N VAL A 111 -2.701 -6.491 -4.914 1.00 72.40 N ATOM 1720 CA VAL A 111 -1.753 -7.602 -4.909 1.00 74.54 C ATOM 1721 C VAL A 111 -2.127 -8.621 -3.835 1.00 34.51 C ATOM 1722 O VAL A 111 -2.075 -8.327 -2.641 1.00 14.45 O ATOM 1723 CB VAL A 111 -0.302 -7.109 -4.667 1.00 54.00 C ATOM 1724 CG1 VAL A 111 0.685 -8.276 -4.700 1.00 74.41 C ATOM 1725 CG2 VAL A 111 0.081 -6.035 -5.687 1.00 24.22 C ATOM 0 H VAL A 111 -2.509 -5.775 -4.214 1.00 72.40 H new ATOM 0 HA VAL A 111 -1.800 -8.074 -5.891 1.00 74.54 H new ATOM 0 HB VAL A 111 -0.256 -6.663 -3.674 1.00 54.00 H new ATOM 0 HG11 VAL A 111 1.695 -7.903 -4.528 1.00 74.41 H new ATOM 0 HG12 VAL A 111 0.426 -8.994 -3.922 1.00 74.41 H new ATOM 0 HG13 VAL A 111 0.639 -8.764 -5.674 1.00 74.41 H new ATOM 0 HG21 VAL A 111 1.102 -5.703 -5.500 1.00 24.22 H new ATOM 0 HG22 VAL A 111 0.013 -6.448 -6.693 1.00 24.22 H new ATOM 0 HG23 VAL A 111 -0.599 -5.188 -5.596 1.00 24.22 H new ATOM 1735 N ILE A 112 -2.526 -9.812 -4.264 1.00 54.11 N ATOM 1736 CA ILE A 112 -2.867 -10.885 -3.342 1.00 74.14 C ATOM 1737 C ILE A 112 -1.608 -11.684 -3.005 1.00 41.41 C ATOM 1738 O ILE A 112 -1.079 -12.413 -3.848 1.00 3.22 O ATOM 1739 CB ILE A 112 -3.956 -11.836 -3.924 1.00 32.12 C ATOM 1740 CG1 ILE A 112 -5.290 -11.087 -4.152 1.00 70.13 C ATOM 1741 CG2 ILE A 112 -4.172 -13.040 -3.005 1.00 73.52 C ATOM 1742 CD1 ILE A 112 -5.275 -10.107 -5.312 1.00 52.13 C ATOM 0 H ILE A 112 -2.621 -10.058 -5.249 1.00 54.11 H new ATOM 0 HA ILE A 112 -3.279 -10.432 -2.440 1.00 74.14 H new ATOM 0 HB ILE A 112 -3.600 -12.195 -4.890 1.00 32.12 H new ATOM 0 HG12 ILE A 112 -6.078 -11.820 -4.323 1.00 70.13 H new ATOM 0 HG13 ILE A 112 -5.549 -10.547 -3.241 1.00 70.13 H new ATOM 0 HG21 ILE A 112 -4.936 -13.690 -3.431 1.00 73.52 H new ATOM 0 HG22 ILE A 112 -3.239 -13.594 -2.906 1.00 73.52 H new ATOM 0 HG23 ILE A 112 -4.495 -12.695 -2.023 1.00 73.52 H new ATOM 0 HD11 ILE A 112 -6.251 -9.629 -5.397 1.00 52.13 H new ATOM 0 HD12 ILE A 112 -4.513 -9.348 -5.137 1.00 52.13 H new ATOM 0 HD13 ILE A 112 -5.051 -10.640 -6.236 1.00 52.13 H new ATOM 1754 N GLY A 113 -1.126 -11.526 -1.776 1.00 31.22 N ATOM 1755 CA GLY A 113 0.088 -12.196 -1.346 1.00 35.23 C ATOM 1756 C GLY A 113 1.246 -11.228 -1.209 1.00 52.15 C ATOM 1757 O GLY A 113 1.372 -10.283 -1.993 1.00 33.43 O ATOM 0 H GLY A 113 -1.560 -10.939 -1.064 1.00 31.22 H new ATOM 0 HA2 GLY A 113 -0.088 -12.690 -0.390 1.00 35.23 H new ATOM 0 HA3 GLY A 113 0.348 -12.974 -2.064 1.00 35.23 H new ATOM 1761 N ALA A 114 2.088 -11.454 -0.204 1.00 4.14 N ATOM 1762 CA ALA A 114 3.270 -10.631 0.014 1.00 54.32 C ATOM 1763 C ALA A 114 4.345 -10.969 -1.019 1.00 14.32 C ATOM 1764 O ALA A 114 5.352 -11.608 -0.701 1.00 11.42 O ATOM 1765 CB ALA A 114 3.792 -10.828 1.433 1.00 15.25 C ATOM 0 H ALA A 114 1.971 -12.206 0.475 1.00 4.14 H new ATOM 0 HA ALA A 114 3.002 -9.581 -0.107 1.00 54.32 H new ATOM 0 HB1 ALA A 114 4.676 -10.208 1.585 1.00 15.25 H new ATOM 0 HB2 ALA A 114 3.020 -10.541 2.148 1.00 15.25 H new ATOM 0 HB3 ALA A 114 4.054 -11.876 1.582 1.00 15.25 H new ATOM 1771 N ASP A 115 4.107 -10.557 -2.261 1.00 52.43 N ATOM 1772 CA ASP A 115 5.026 -10.832 -3.359 1.00 62.42 C ATOM 1773 C ASP A 115 5.695 -9.553 -3.832 1.00 73.22 C ATOM 1774 O ASP A 115 5.085 -8.731 -4.524 1.00 63.30 O ATOM 1775 CB ASP A 115 4.302 -11.505 -4.531 1.00 72.00 C ATOM 1776 CG ASP A 115 5.225 -11.748 -5.716 1.00 21.32 C ATOM 1777 OD1 ASP A 115 6.355 -12.239 -5.507 1.00 70.41 O ATOM 1778 OD2 ASP A 115 4.820 -11.484 -6.865 1.00 14.44 O ATOM 0 H ASP A 115 3.279 -10.027 -2.532 1.00 52.43 H new ATOM 0 HA ASP A 115 5.790 -11.515 -2.987 1.00 62.42 H new ATOM 0 HB2 ASP A 115 3.883 -12.455 -4.199 1.00 72.00 H new ATOM 0 HB3 ASP A 115 3.466 -10.880 -4.846 1.00 72.00 H new ATOM 1783 N ILE A 116 6.962 -9.408 -3.468 1.00 30.45 N ATOM 1784 CA ILE A 116 7.730 -8.214 -3.780 1.00 24.41 C ATOM 1785 C ILE A 116 7.785 -8.001 -5.298 1.00 22.13 C ATOM 1786 O ILE A 116 7.796 -6.865 -5.771 1.00 3.44 O ATOM 1787 CB ILE A 116 9.165 -8.324 -3.176 1.00 61.13 C ATOM 1788 CG1 ILE A 116 9.762 -6.937 -2.850 1.00 23.04 C ATOM 1789 CG2 ILE A 116 10.102 -9.112 -4.093 1.00 20.20 C ATOM 1790 CD1 ILE A 116 10.137 -6.090 -4.045 1.00 11.05 C ATOM 0 H ILE A 116 7.484 -10.114 -2.949 1.00 30.45 H new ATOM 0 HA ILE A 116 7.239 -7.349 -3.334 1.00 24.41 H new ATOM 0 HB ILE A 116 9.069 -8.872 -2.239 1.00 61.13 H new ATOM 0 HG12 ILE A 116 9.042 -6.384 -2.247 1.00 23.04 H new ATOM 0 HG13 ILE A 116 10.651 -7.079 -2.235 1.00 23.04 H new ATOM 0 HG21 ILE A 116 11.092 -9.168 -3.640 1.00 20.20 H new ATOM 0 HG22 ILE A 116 9.710 -10.119 -4.235 1.00 20.20 H new ATOM 0 HG23 ILE A 116 10.173 -8.611 -5.058 1.00 20.20 H new ATOM 0 HD11 ILE A 116 10.545 -5.139 -3.703 1.00 11.05 H new ATOM 0 HD12 ILE A 116 10.885 -6.613 -4.641 1.00 11.05 H new ATOM 0 HD13 ILE A 116 9.251 -5.907 -4.653 1.00 11.05 H new ATOM 1802 N SER A 117 7.777 -9.102 -6.051 1.00 0.51 N ATOM 1803 CA SER A 117 7.848 -9.044 -7.503 1.00 1.04 C ATOM 1804 C SER A 117 6.637 -8.312 -8.080 1.00 71.13 C ATOM 1805 O SER A 117 6.786 -7.326 -8.801 1.00 61.13 O ATOM 1806 CB SER A 117 7.947 -10.459 -8.076 1.00 33.32 C ATOM 1807 OG SER A 117 9.046 -11.151 -7.507 1.00 4.22 O ATOM 0 H SER A 117 7.722 -10.047 -5.672 1.00 0.51 H new ATOM 0 HA SER A 117 8.740 -8.486 -7.786 1.00 1.04 H new ATOM 0 HB2 SER A 117 7.024 -11.004 -7.876 1.00 33.32 H new ATOM 0 HB3 SER A 117 8.061 -10.412 -9.159 1.00 33.32 H new ATOM 0 HG SER A 117 9.586 -11.551 -8.221 1.00 4.22 H new ATOM 1813 N LYS A 118 5.439 -8.782 -7.747 1.00 63.31 N ATOM 1814 CA LYS A 118 4.214 -8.160 -8.239 1.00 4.35 C ATOM 1815 C LYS A 118 4.093 -6.729 -7.714 1.00 42.51 C ATOM 1816 O LYS A 118 3.710 -5.817 -8.457 1.00 53.11 O ATOM 1817 CB LYS A 118 2.983 -8.989 -7.839 1.00 4.41 C ATOM 1818 CG LYS A 118 1.651 -8.386 -8.284 1.00 34.34 C ATOM 1819 CD LYS A 118 1.602 -8.131 -9.792 1.00 31.54 C ATOM 1820 CE LYS A 118 0.283 -7.492 -10.213 1.00 21.43 C ATOM 1821 NZ LYS A 118 0.284 -7.112 -11.652 1.00 12.21 N ATOM 0 H LYS A 118 5.290 -9.589 -7.141 1.00 63.31 H new ATOM 0 HA LYS A 118 4.261 -8.126 -9.327 1.00 4.35 H new ATOM 0 HB2 LYS A 118 3.077 -9.988 -8.265 1.00 4.41 H new ATOM 0 HB3 LYS A 118 2.973 -9.104 -6.755 1.00 4.41 H new ATOM 0 HG2 LYS A 118 0.840 -9.058 -8.005 1.00 34.34 H new ATOM 0 HG3 LYS A 118 1.484 -7.448 -7.754 1.00 34.34 H new ATOM 0 HD2 LYS A 118 2.429 -7.481 -10.078 1.00 31.54 H new ATOM 0 HD3 LYS A 118 1.737 -9.072 -10.325 1.00 31.54 H new ATOM 0 HE2 LYS A 118 -0.534 -8.187 -10.022 1.00 21.43 H new ATOM 0 HE3 LYS A 118 0.098 -6.607 -9.604 1.00 21.43 H new ATOM 0 HZ1 LYS A 118 -0.681 -6.856 -11.944 1.00 12.21 H new ATOM 0 HZ2 LYS A 118 0.916 -6.299 -11.796 1.00 12.21 H new ATOM 0 HZ3 LYS A 118 0.617 -7.915 -12.223 1.00 12.21 H new ATOM 1835 N ILE A 119 4.435 -6.536 -6.438 1.00 14.01 N ATOM 1836 CA ILE A 119 4.396 -5.208 -5.826 1.00 11.32 C ATOM 1837 C ILE A 119 5.259 -4.225 -6.623 1.00 4.42 C ATOM 1838 O ILE A 119 4.766 -3.202 -7.100 1.00 45.51 O ATOM 1839 CB ILE A 119 4.872 -5.245 -4.347 1.00 1.34 C ATOM 1840 CG1 ILE A 119 3.912 -6.097 -3.498 1.00 50.14 C ATOM 1841 CG2 ILE A 119 4.987 -3.832 -3.771 1.00 44.12 C ATOM 1842 CD1 ILE A 119 4.346 -6.258 -2.054 1.00 64.31 C ATOM 0 H ILE A 119 4.741 -7.280 -5.811 1.00 14.01 H new ATOM 0 HA ILE A 119 3.359 -4.873 -5.841 1.00 11.32 H new ATOM 0 HB ILE A 119 5.862 -5.701 -4.320 1.00 1.34 H new ATOM 0 HG12 ILE A 119 2.922 -5.642 -3.521 1.00 50.14 H new ATOM 0 HG13 ILE A 119 3.820 -7.084 -3.952 1.00 50.14 H new ATOM 0 HG21 ILE A 119 5.322 -3.887 -2.735 1.00 44.12 H new ATOM 0 HG22 ILE A 119 5.707 -3.259 -4.355 1.00 44.12 H new ATOM 0 HG23 ILE A 119 4.014 -3.342 -3.812 1.00 44.12 H new ATOM 0 HD11 ILE A 119 3.618 -6.871 -1.522 1.00 64.31 H new ATOM 0 HD12 ILE A 119 5.322 -6.742 -2.019 1.00 64.31 H new ATOM 0 HD13 ILE A 119 4.410 -5.278 -1.582 1.00 64.31 H new ATOM 1854 N ILE A 120 6.538 -4.562 -6.797 1.00 12.52 N ATOM 1855 CA ILE A 120 7.473 -3.691 -7.511 1.00 13.44 C ATOM 1856 C ILE A 120 7.051 -3.529 -8.973 1.00 54.05 C ATOM 1857 O ILE A 120 7.235 -2.465 -9.562 1.00 3.22 O ATOM 1858 CB ILE A 120 8.941 -4.201 -7.426 1.00 31.45 C ATOM 1859 CG1 ILE A 120 9.919 -3.132 -7.949 1.00 21.23 C ATOM 1860 CG2 ILE A 120 9.119 -5.508 -8.195 1.00 40.41 C ATOM 1861 CD1 ILE A 120 11.378 -3.534 -7.853 1.00 4.31 C ATOM 0 H ILE A 120 6.949 -5.430 -6.454 1.00 12.52 H new ATOM 0 HA ILE A 120 7.439 -2.719 -7.019 1.00 13.44 H new ATOM 0 HB ILE A 120 9.165 -4.395 -6.377 1.00 31.45 H new ATOM 0 HG12 ILE A 120 9.680 -2.913 -8.990 1.00 21.23 H new ATOM 0 HG13 ILE A 120 9.769 -2.210 -7.387 1.00 21.23 H new ATOM 0 HG21 ILE A 120 10.155 -5.838 -8.116 1.00 40.41 H new ATOM 0 HG22 ILE A 120 8.462 -6.270 -7.775 1.00 40.41 H new ATOM 0 HG23 ILE A 120 8.867 -5.350 -9.244 1.00 40.41 H new ATOM 0 HD11 ILE A 120 12.003 -2.730 -8.240 1.00 4.31 H new ATOM 0 HD12 ILE A 120 11.635 -3.724 -6.811 1.00 4.31 H new ATOM 0 HD13 ILE A 120 11.546 -4.438 -8.439 1.00 4.31 H new ATOM 1873 N SER A 121 6.475 -4.588 -9.546 1.00 54.21 N ATOM 1874 CA SER A 121 5.973 -4.538 -10.915 1.00 43.21 C ATOM 1875 C SER A 121 4.934 -3.426 -11.057 1.00 63.35 C ATOM 1876 O SER A 121 5.022 -2.594 -11.962 1.00 12.03 O ATOM 1877 CB SER A 121 5.364 -5.888 -11.324 1.00 61.13 C ATOM 1878 OG SER A 121 6.340 -6.918 -11.322 1.00 74.12 O ATOM 0 H SER A 121 6.346 -5.487 -9.082 1.00 54.21 H new ATOM 0 HA SER A 121 6.811 -4.326 -11.578 1.00 43.21 H new ATOM 0 HB2 SER A 121 4.557 -6.148 -10.638 1.00 61.13 H new ATOM 0 HB3 SER A 121 4.923 -5.804 -12.317 1.00 61.13 H new ATOM 0 HG SER A 121 6.783 -6.947 -10.449 1.00 74.12 H new ATOM 1884 N GLU A 122 3.961 -3.400 -10.142 1.00 42.34 N ATOM 1885 CA GLU A 122 2.909 -2.387 -10.179 1.00 32.13 C ATOM 1886 C GLU A 122 3.466 -1.009 -9.827 1.00 55.53 C ATOM 1887 O GLU A 122 3.040 -0.001 -10.395 1.00 51.34 O ATOM 1888 CB GLU A 122 1.753 -2.756 -9.240 1.00 25.14 C ATOM 1889 CG GLU A 122 0.960 -3.982 -9.689 1.00 12.42 C ATOM 1890 CD GLU A 122 0.462 -3.875 -11.125 1.00 62.50 C ATOM 1891 OE1 GLU A 122 -0.514 -3.130 -11.376 1.00 72.30 O ATOM 1892 OE2 GLU A 122 1.037 -4.545 -12.011 1.00 52.31 O ATOM 0 H GLU A 122 3.882 -4.065 -9.373 1.00 42.34 H new ATOM 0 HA GLU A 122 2.520 -2.350 -11.197 1.00 32.13 H new ATOM 0 HB2 GLU A 122 2.152 -2.939 -8.242 1.00 25.14 H new ATOM 0 HB3 GLU A 122 1.076 -1.906 -9.162 1.00 25.14 H new ATOM 0 HG2 GLU A 122 1.587 -4.869 -9.593 1.00 12.42 H new ATOM 0 HG3 GLU A 122 0.108 -4.120 -9.024 1.00 12.42 H new ATOM 1899 N ILE A 123 4.417 -0.964 -8.897 1.00 63.12 N ATOM 1900 CA ILE A 123 5.069 0.293 -8.535 1.00 35.42 C ATOM 1901 C ILE A 123 5.674 0.938 -9.779 1.00 22.34 C ATOM 1902 O ILE A 123 5.343 2.069 -10.135 1.00 64.31 O ATOM 1903 CB ILE A 123 6.184 0.077 -7.472 1.00 44.51 C ATOM 1904 CG1 ILE A 123 5.582 -0.392 -6.137 1.00 0.53 C ATOM 1905 CG2 ILE A 123 7.011 1.347 -7.269 1.00 61.04 C ATOM 1906 CD1 ILE A 123 6.617 -0.669 -5.060 1.00 11.01 C ATOM 0 H ILE A 123 4.752 -1.778 -8.383 1.00 63.12 H new ATOM 0 HA ILE A 123 4.311 0.948 -8.104 1.00 35.42 H new ATOM 0 HB ILE A 123 6.849 -0.702 -7.844 1.00 44.51 H new ATOM 0 HG12 ILE A 123 4.889 0.368 -5.775 1.00 0.53 H new ATOM 0 HG13 ILE A 123 5.000 -1.297 -6.310 1.00 0.53 H new ATOM 0 HG21 ILE A 123 7.782 1.164 -6.520 1.00 61.04 H new ATOM 0 HG22 ILE A 123 7.480 1.630 -8.211 1.00 61.04 H new ATOM 0 HG23 ILE A 123 6.361 2.154 -6.931 1.00 61.04 H new ATOM 0 HD11 ILE A 123 6.116 -0.995 -4.149 1.00 11.01 H new ATOM 0 HD12 ILE A 123 7.296 -1.451 -5.400 1.00 11.01 H new ATOM 0 HD13 ILE A 123 7.183 0.240 -4.857 1.00 11.01 H new ATOM 1918 N ASN A 124 6.527 0.183 -10.457 1.00 71.24 N ATOM 1919 CA ASN A 124 7.159 0.635 -11.695 1.00 60.43 C ATOM 1920 C ASN A 124 6.102 0.983 -12.738 1.00 43.22 C ATOM 1921 O ASN A 124 6.201 1.999 -13.430 1.00 40.11 O ATOM 1922 CB ASN A 124 8.098 -0.452 -12.249 1.00 63.53 C ATOM 1923 CG ASN A 124 9.319 -0.697 -11.371 1.00 44.45 C ATOM 1924 OD1 ASN A 124 9.804 0.207 -10.687 1.00 42.31 O ATOM 1925 ND2 ASN A 124 9.833 -1.921 -11.395 1.00 61.41 N ATOM 0 H ASN A 124 6.801 -0.756 -10.169 1.00 71.24 H new ATOM 0 HA ASN A 124 7.744 1.528 -11.472 1.00 60.43 H new ATOM 0 HB2 ASN A 124 7.542 -1.384 -12.355 1.00 63.53 H new ATOM 0 HB3 ASN A 124 8.428 -0.163 -13.247 1.00 63.53 H new ATOM 0 HD21 ASN A 124 10.657 -2.139 -10.835 1.00 61.41 H new ATOM 0 HD22 ASN A 124 9.404 -2.643 -11.974 1.00 61.41 H new ATOM 1932 N ASN A 125 5.085 0.131 -12.823 1.00 51.31 N ATOM 1933 CA ASN A 125 3.989 0.299 -13.775 1.00 35.14 C ATOM 1934 C ASN A 125 3.244 1.614 -13.537 1.00 75.22 C ATOM 1935 O ASN A 125 2.769 2.246 -14.479 1.00 41.03 O ATOM 1936 CB ASN A 125 3.019 -0.895 -13.667 1.00 20.42 C ATOM 1937 CG ASN A 125 1.777 -0.759 -14.539 1.00 34.23 C ATOM 1938 OD1 ASN A 125 1.801 -0.116 -15.590 1.00 43.44 O ATOM 1939 ND2 ASN A 125 0.681 -1.373 -14.110 1.00 4.34 N ATOM 0 H ASN A 125 4.996 -0.697 -12.234 1.00 51.31 H new ATOM 0 HA ASN A 125 4.409 0.333 -14.780 1.00 35.14 H new ATOM 0 HB2 ASN A 125 3.548 -1.807 -13.944 1.00 20.42 H new ATOM 0 HB3 ASN A 125 2.711 -1.008 -12.628 1.00 20.42 H new ATOM 0 HD21 ASN A 125 -0.179 -1.322 -14.656 1.00 4.34 H new ATOM 0 HD22 ASN A 125 0.699 -1.896 -13.235 1.00 4.34 H new ATOM 1946 N ASN A 126 3.151 2.032 -12.277 1.00 44.31 N ATOM 1947 CA ASN A 126 2.373 3.221 -11.925 1.00 61.44 C ATOM 1948 C ASN A 126 3.244 4.448 -11.668 1.00 35.42 C ATOM 1949 O ASN A 126 2.717 5.549 -11.521 1.00 72.55 O ATOM 1950 CB ASN A 126 1.472 2.939 -10.716 1.00 50.42 C ATOM 1951 CG ASN A 126 0.266 2.090 -11.087 1.00 3.33 C ATOM 1952 OD1 ASN A 126 -0.787 2.614 -11.456 1.00 2.34 O ATOM 1953 ND2 ASN A 126 0.408 0.775 -10.996 1.00 45.12 N ATOM 0 H ASN A 126 3.601 1.570 -11.486 1.00 44.31 H new ATOM 0 HA ASN A 126 1.751 3.453 -12.790 1.00 61.44 H new ATOM 0 HB2 ASN A 126 2.050 2.430 -9.945 1.00 50.42 H new ATOM 0 HB3 ASN A 126 1.133 3.883 -10.289 1.00 50.42 H new ATOM 0 HD21 ASN A 126 -0.370 0.160 -11.235 1.00 45.12 H new ATOM 0 HD22 ASN A 126 1.295 0.378 -10.687 1.00 45.12 H new ATOM 1960 N ILE A 127 4.561 4.274 -11.595 1.00 10.54 N ATOM 1961 CA ILE A 127 5.463 5.424 -11.492 1.00 32.23 C ATOM 1962 C ILE A 127 5.871 5.903 -12.879 1.00 12.30 C ATOM 1963 O ILE A 127 5.588 7.041 -13.261 1.00 73.13 O ATOM 1964 CB ILE A 127 6.737 5.114 -10.660 1.00 41.41 C ATOM 1965 CG1 ILE A 127 6.368 4.863 -9.189 1.00 1.53 C ATOM 1966 CG2 ILE A 127 7.751 6.258 -10.774 1.00 63.52 C ATOM 1967 CD1 ILE A 127 7.567 4.614 -8.300 1.00 64.13 C ATOM 0 H ILE A 127 5.024 3.365 -11.605 1.00 10.54 H new ATOM 0 HA ILE A 127 4.911 6.207 -10.972 1.00 32.23 H new ATOM 0 HB ILE A 127 7.197 4.211 -11.060 1.00 41.41 H new ATOM 0 HG12 ILE A 127 5.816 5.723 -8.809 1.00 1.53 H new ATOM 0 HG13 ILE A 127 5.699 4.005 -9.132 1.00 1.53 H new ATOM 0 HG21 ILE A 127 8.636 6.020 -10.184 1.00 63.52 H new ATOM 0 HG22 ILE A 127 8.036 6.389 -11.818 1.00 63.52 H new ATOM 0 HG23 ILE A 127 7.303 7.179 -10.402 1.00 63.52 H new ATOM 0 HD11 ILE A 127 7.232 4.445 -7.277 1.00 64.13 H new ATOM 0 HD12 ILE A 127 8.107 3.736 -8.655 1.00 64.13 H new ATOM 0 HD13 ILE A 127 8.227 5.481 -8.327 1.00 64.13 H new ATOM 1979 N ASN A 128 6.517 5.025 -13.639 1.00 74.50 N ATOM 1980 CA ASN A 128 7.001 5.369 -14.974 1.00 50.14 C ATOM 1981 C ASN A 128 5.999 4.915 -16.029 1.00 41.34 C ATOM 1982 O ASN A 128 5.235 5.773 -16.526 1.00 11.33 O ATOM 1983 CB ASN A 128 8.384 4.748 -15.238 1.00 4.32 C ATOM 1984 CG ASN A 128 9.506 5.485 -14.521 1.00 13.12 C ATOM 1985 OD1 ASN A 128 10.096 6.419 -15.065 1.00 5.55 O ATOM 1986 ND2 ASN A 128 9.818 5.072 -13.304 1.00 42.23 N ATOM 1987 OXT ASN A 128 5.969 3.711 -16.354 1.00 0.00 O ATOM 0 H ASN A 128 6.719 4.067 -13.353 1.00 74.50 H new ATOM 0 HA ASN A 128 7.105 6.452 -15.032 1.00 50.14 H new ATOM 0 HB2 ASN A 128 8.377 3.706 -14.918 1.00 4.32 H new ATOM 0 HB3 ASN A 128 8.580 4.751 -16.310 1.00 4.32 H new ATOM 0 HD21 ASN A 128 10.568 5.530 -12.786 1.00 42.23 H new ATOM 0 HD22 ASN A 128 9.309 4.295 -12.883 1.00 42.23 H new TER 1994 ASN A 128