USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 981 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 113 THR OG1 : rot 46:sc= 1.23 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-4.5!) USER MOD Set 2.2: A 100 THR OG1 : rot 54:sc=0.000532 USER MOD Set 3.1: A 73 THR OG1 : rot 138:sc= 1.93 USER MOD Set 3.2: A 97 TYR OH : rot 180:sc= 0.187 USER MOD Set 3.3: A 99 GLN : amide:sc= -0.293 X(o=1.8,f=2.1) USER MOD Set 4.1: A 52 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-12!) USER MOD Set 4.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 51 GLN : amide:sc= -0.213 K(o=-2.8,f=-4.8) USER MOD Set 5.2: A 53 TYR OH : rot 111:sc= 1.25 USER MOD Set 5.3: A 57 HIS : no HE2:sc= -3.01 K(o=-2.8,f=-6.4!) USER MOD Set 5.4: A 59 MET CE :methyl 137:sc= -0.295 (180deg=-1.04) USER MOD Set 5.5: A 61 ASN : amide:sc= -0.555 K(o=-2.8,f=-8.8) USER MOD Set 5.6: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 50 SER OG : rot -15:sc= 1.08 USER MOD Set 6.2: A 60 THR OG1 : rot -92:sc= 0.138 USER MOD Set 7.1: A 41 GLN : amide:sc= 0 K(o=0.84,f=-0.35!) USER MOD Set 7.2: A 48 THR OG1 : rot -18:sc= 0.835 USER MOD Set 8.1: A 8 MET CE :methyl 135:sc= -1.06 (180deg=0) USER MOD Set 8.2: A 38 THR OG1 : rot -100:sc= -0.587 USER MOD Set 8.3: A 123 SER OG : rot -82:sc= 0.571 USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.158 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -68:sc= 0.949 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.5!) USER MOD Single : A 14 TYR OH : rot -172:sc= 0.0312 USER MOD Single : A 18 MET CE :methyl 177:sc= -0.044 (180deg=-0.053) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -123:sc= 0.812 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.375 K(o=0.38,f=-0.74) USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= 0.23 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.132 K(o=-0.13,f=1.6) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -9:sc= 0.227 USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0113) USER MOD Single : A 69 SER OG : rot -3:sc= 1.09 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 72 GLN : amide:sc= -0.076 X(o=-0.076,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= 0.00267 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.019) USER MOD Single : A 96 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 129:sc= 0.0934 USER MOD Single : A 119 TYR OH : rot 31:sc= -0.804 USER MOD Single : A 124 LYS NZ :NH3+ -143:sc= 0.83 (180deg=-0.0702) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.237 8.587 14.370 1.00 0.00 N ATOM 2 CA ALA A 1 2.822 8.661 12.978 1.00 0.00 C ATOM 3 C ALA A 1 2.538 7.279 12.440 1.00 0.00 C ATOM 4 O ALA A 1 2.987 6.318 13.043 1.00 0.00 O ATOM 5 CB ALA A 1 3.914 9.349 12.121 1.00 0.00 C ATOM 0 H1 ALA A 1 2.512 9.026 14.972 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.358 7.591 14.644 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.139 9.091 14.491 1.00 0.00 H new ATOM 0 HA ALA A 1 1.910 9.255 12.924 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.586 9.395 11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.086 10.359 12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.840 8.777 12.184 1.00 0.00 H new ATOM 11 N PHE A 2 1.801 7.174 11.310 1.00 0.00 N ATOM 12 CA PHE A 2 1.528 5.870 10.703 1.00 0.00 C ATOM 13 C PHE A 2 1.068 4.884 11.748 1.00 0.00 C ATOM 14 O PHE A 2 1.778 3.934 12.038 1.00 0.00 O ATOM 15 CB PHE A 2 2.778 5.378 9.932 1.00 0.00 C ATOM 16 CG PHE A 2 2.902 6.173 8.629 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.149 5.805 7.509 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.768 7.268 8.558 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.290 6.509 6.311 1.00 0.00 C ATOM 20 CE2 PHE A 2 3.912 7.969 7.359 1.00 0.00 C ATOM 21 CZ PHE A 2 3.187 7.575 6.231 1.00 0.00 C ATOM 0 H PHE A 2 1.395 7.968 10.814 1.00 0.00 H new ATOM 0 HA PHE A 2 0.715 5.965 9.983 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.672 5.510 10.541 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.693 4.313 9.717 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.459 4.977 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.326 7.572 9.431 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.705 6.229 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.582 8.814 7.303 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.321 8.097 5.295 1.00 0.00 H new ATOM 31 N THR A 3 -0.136 5.108 12.318 1.00 0.00 N ATOM 32 CA THR A 3 -0.664 4.179 13.314 1.00 0.00 C ATOM 33 C THR A 3 -2.168 4.349 13.372 1.00 0.00 C ATOM 34 O THR A 3 -2.604 5.425 13.749 1.00 0.00 O ATOM 35 CB THR A 3 -0.033 4.508 14.696 1.00 0.00 C ATOM 36 OG1 THR A 3 1.390 4.306 14.623 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.638 3.627 15.822 1.00 0.00 C ATOM 0 H THR A 3 -0.739 5.903 12.107 1.00 0.00 H new ATOM 0 HA THR A 3 -0.422 3.149 13.051 1.00 0.00 H new ATOM 0 HB THR A 3 -0.251 5.548 14.939 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.795 4.513 15.491 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.174 3.884 16.774 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.712 3.802 15.883 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.453 2.576 15.600 1.00 0.00 H new ATOM 45 N GLY A 4 -2.976 3.325 13.010 1.00 0.00 N ATOM 46 CA GLY A 4 -4.429 3.465 13.089 1.00 0.00 C ATOM 47 C GLY A 4 -5.108 2.515 12.136 1.00 0.00 C ATOM 48 O GLY A 4 -4.397 1.867 11.385 1.00 0.00 O ATOM 0 H GLY A 4 -2.648 2.421 12.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.764 3.267 14.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.714 4.490 12.853 1.00 0.00 H new ATOM 52 N LYS A 5 -6.460 2.429 12.145 1.00 0.00 N ATOM 53 CA LYS A 5 -7.162 1.619 11.150 1.00 0.00 C ATOM 54 C LYS A 5 -7.647 2.548 10.063 1.00 0.00 C ATOM 55 O LYS A 5 -8.019 3.665 10.384 1.00 0.00 O ATOM 56 CB LYS A 5 -8.303 0.759 11.757 1.00 0.00 C ATOM 57 CG LYS A 5 -9.139 0.036 10.661 1.00 0.00 C ATOM 58 CD LYS A 5 -10.158 -0.993 11.228 1.00 0.00 C ATOM 59 CE LYS A 5 -9.489 -2.320 11.690 1.00 0.00 C ATOM 60 NZ LYS A 5 -10.502 -3.312 12.119 1.00 0.00 N ATOM 0 H LYS A 5 -7.064 2.902 12.817 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.474 0.885 10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.877 0.019 12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.959 1.395 12.351 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.677 0.782 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.461 -0.476 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.686 -0.546 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.904 -1.215 10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.895 -2.733 10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.804 -2.117 12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.026 -4.186 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.052 -2.925 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.140 -3.522 11.325 1.00 0.00 H new ATOM 74 N PHE A 6 -7.645 2.109 8.783 1.00 0.00 N ATOM 75 CA PHE A 6 -8.122 2.939 7.683 1.00 0.00 C ATOM 76 C PHE A 6 -8.947 2.081 6.753 1.00 0.00 C ATOM 77 O PHE A 6 -8.913 0.875 6.939 1.00 0.00 O ATOM 78 CB PHE A 6 -6.910 3.489 6.883 1.00 0.00 C ATOM 79 CG PHE A 6 -5.900 4.233 7.763 1.00 0.00 C ATOM 80 CD1 PHE A 6 -4.941 3.507 8.479 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.905 5.630 7.845 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.032 4.168 9.308 1.00 0.00 C ATOM 83 CE2 PHE A 6 -4.983 6.293 8.659 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.086 5.557 9.438 1.00 0.00 C ATOM 0 H PHE A 6 -7.317 1.186 8.500 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.714 3.764 8.080 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.407 2.662 6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.270 4.162 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -4.904 2.431 8.390 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.625 6.199 7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.287 3.604 9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.964 7.372 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.437 6.061 10.138 1.00 0.00 H new ATOM 94 N GLU A 7 -9.661 2.637 5.743 1.00 0.00 N ATOM 95 CA GLU A 7 -10.241 1.755 4.726 1.00 0.00 C ATOM 96 C GLU A 7 -10.294 2.449 3.390 1.00 0.00 C ATOM 97 O GLU A 7 -10.358 3.667 3.366 1.00 0.00 O ATOM 98 CB GLU A 7 -11.595 1.103 5.116 1.00 0.00 C ATOM 99 CG GLU A 7 -12.737 2.125 5.340 1.00 0.00 C ATOM 100 CD GLU A 7 -13.212 2.775 4.065 1.00 0.00 C ATOM 101 OE1 GLU A 7 -13.880 2.071 3.262 1.00 0.00 O ATOM 102 OE2 GLU A 7 -12.939 3.988 3.858 1.00 0.00 O ATOM 0 H GLU A 7 -9.837 3.634 5.620 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.564 0.904 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.892 0.406 4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.458 0.519 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.577 1.622 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.394 2.898 6.028 1.00 0.00 H new ATOM 109 N MET A 8 -10.244 1.674 2.281 1.00 0.00 N ATOM 110 CA MET A 8 -10.145 2.276 0.957 1.00 0.00 C ATOM 111 C MET A 8 -11.507 2.710 0.489 1.00 0.00 C ATOM 112 O MET A 8 -12.485 2.213 1.021 1.00 0.00 O ATOM 113 CB MET A 8 -9.498 1.304 -0.064 1.00 0.00 C ATOM 114 CG MET A 8 -7.958 1.256 0.099 1.00 0.00 C ATOM 115 SD MET A 8 -7.391 0.737 1.747 1.00 0.00 S ATOM 116 CE MET A 8 -5.602 0.635 1.386 1.00 0.00 C ATOM 0 H MET A 8 -10.271 0.654 2.288 1.00 0.00 H new ATOM 0 HA MET A 8 -9.498 3.150 1.028 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.911 0.304 0.071 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.749 1.618 -1.077 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.548 0.573 -0.645 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.551 2.244 -0.117 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.041 1.107 2.192 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.307 -0.411 1.302 1.00 0.00 H new ATOM 0 HE3 MET A 8 -5.390 1.148 0.448 1.00 0.00 H new ATOM 126 N GLU A 9 -11.569 3.633 -0.500 1.00 0.00 N ATOM 127 CA GLU A 9 -12.859 4.141 -0.966 1.00 0.00 C ATOM 128 C GLU A 9 -12.755 4.921 -2.267 1.00 0.00 C ATOM 129 O GLU A 9 -13.593 4.672 -3.121 1.00 0.00 O ATOM 130 CB GLU A 9 -13.617 4.927 0.143 1.00 0.00 C ATOM 131 CG GLU A 9 -12.774 6.027 0.842 1.00 0.00 C ATOM 132 CD GLU A 9 -12.566 7.230 -0.038 1.00 0.00 C ATOM 133 OE1 GLU A 9 -13.581 7.842 -0.468 1.00 0.00 O ATOM 134 OE2 GLU A 9 -11.386 7.579 -0.309 1.00 0.00 O ATOM 0 H GLU A 9 -10.756 4.027 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.465 3.264 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.501 5.389 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.967 4.221 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.272 6.334 1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.806 5.615 1.126 1.00 0.00 H new ATOM 141 N SER A 10 -11.772 5.838 -2.471 1.00 0.00 N ATOM 142 CA SER A 10 -11.614 6.510 -3.766 1.00 0.00 C ATOM 143 C SER A 10 -10.268 6.122 -4.333 1.00 0.00 C ATOM 144 O SER A 10 -9.401 5.758 -3.554 1.00 0.00 O ATOM 145 CB SER A 10 -11.754 8.049 -3.642 1.00 0.00 C ATOM 146 OG SER A 10 -10.710 8.619 -2.841 1.00 0.00 O ATOM 0 H SER A 10 -11.094 6.118 -1.762 1.00 0.00 H new ATOM 0 HA SER A 10 -12.409 6.191 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.734 8.496 -4.636 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.722 8.291 -3.203 1.00 0.00 H new ATOM 0 HG SER A 10 -10.821 8.336 -1.909 1.00 0.00 H new ATOM 152 N GLU A 11 -10.086 6.163 -5.675 1.00 0.00 N ATOM 153 CA GLU A 11 -8.920 5.516 -6.280 1.00 0.00 C ATOM 154 C GLU A 11 -8.797 5.913 -7.739 1.00 0.00 C ATOM 155 O GLU A 11 -9.826 6.244 -8.306 1.00 0.00 O ATOM 156 CB GLU A 11 -9.214 3.998 -6.154 1.00 0.00 C ATOM 157 CG GLU A 11 -8.098 3.105 -6.709 1.00 0.00 C ATOM 158 CD GLU A 11 -8.495 1.655 -6.553 1.00 0.00 C ATOM 159 OE1 GLU A 11 -9.006 1.292 -5.461 1.00 0.00 O ATOM 160 OE2 GLU A 11 -8.307 0.862 -7.512 1.00 0.00 O ATOM 0 H GLU A 11 -10.715 6.624 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.985 5.800 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.374 3.754 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.142 3.772 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.921 3.335 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.165 3.298 -6.179 1.00 0.00 H new ATOM 167 N LYS A 12 -7.595 5.895 -8.372 1.00 0.00 N ATOM 168 CA LYS A 12 -7.487 6.347 -9.766 1.00 0.00 C ATOM 169 C LYS A 12 -6.161 5.981 -10.399 1.00 0.00 C ATOM 170 O LYS A 12 -5.266 5.609 -9.659 1.00 0.00 O ATOM 171 CB LYS A 12 -7.667 7.891 -9.822 1.00 0.00 C ATOM 172 CG LYS A 12 -6.545 8.609 -9.020 1.00 0.00 C ATOM 173 CD LYS A 12 -6.820 10.125 -8.790 1.00 0.00 C ATOM 174 CE LYS A 12 -7.510 10.446 -7.430 1.00 0.00 C ATOM 175 NZ LYS A 12 -8.820 9.787 -7.221 1.00 0.00 N ATOM 0 H LYS A 12 -6.721 5.582 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.270 5.841 -10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.650 8.226 -10.859 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.641 8.163 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.429 8.118 -8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.600 8.496 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.876 10.667 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.447 10.497 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.840 10.153 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.647 11.525 -7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.201 10.059 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.481 10.084 -7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.699 8.755 -7.257 1.00 0.00 H new ATOM 189 N ASN A 13 -6.025 6.096 -11.746 1.00 0.00 N ATOM 190 CA ASN A 13 -4.758 5.790 -12.423 1.00 0.00 C ATOM 191 C ASN A 13 -4.406 4.331 -12.219 1.00 0.00 C ATOM 192 O ASN A 13 -3.269 3.987 -11.941 1.00 0.00 O ATOM 193 CB ASN A 13 -3.664 6.789 -11.954 1.00 0.00 C ATOM 194 CG ASN A 13 -4.067 8.232 -12.143 1.00 0.00 C ATOM 195 OD1 ASN A 13 -5.126 8.502 -12.689 1.00 0.00 O ATOM 196 ND2 ASN A 13 -3.228 9.189 -11.689 1.00 0.00 N ATOM 0 H ASN A 13 -6.774 6.396 -12.370 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.847 5.925 -13.501 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.446 6.613 -10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.744 6.598 -12.507 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.471 10.174 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.352 8.927 -11.238 1.00 0.00 H new ATOM 203 N TYR A 14 -5.412 3.441 -12.345 1.00 0.00 N ATOM 204 CA TYR A 14 -5.305 2.104 -11.763 1.00 0.00 C ATOM 205 C TYR A 14 -5.248 0.995 -12.780 1.00 0.00 C ATOM 206 O TYR A 14 -4.257 0.282 -12.799 1.00 0.00 O ATOM 207 CB TYR A 14 -6.549 1.949 -10.855 1.00 0.00 C ATOM 208 CG TYR A 14 -6.727 0.521 -10.317 1.00 0.00 C ATOM 209 CD1 TYR A 14 -5.708 -0.104 -9.589 1.00 0.00 C ATOM 210 CD2 TYR A 14 -7.919 -0.175 -10.549 1.00 0.00 C ATOM 211 CE1 TYR A 14 -5.967 -1.289 -8.901 1.00 0.00 C ATOM 212 CE2 TYR A 14 -8.117 -1.431 -9.976 1.00 0.00 C ATOM 213 CZ TYR A 14 -7.165 -1.970 -9.109 1.00 0.00 C ATOM 214 OH TYR A 14 -7.378 -3.177 -8.458 1.00 0.00 O ATOM 0 H TYR A 14 -6.287 3.626 -12.835 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.365 2.017 -11.218 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.467 2.640 -10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.439 2.233 -11.416 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.720 0.332 -9.560 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.686 0.261 -11.172 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.238 -1.679 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.012 -1.990 -10.204 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.196 -3.593 -8.801 1.00 0.00 H new ATOM 224 N ASP A 15 -6.290 0.812 -13.620 1.00 0.00 N ATOM 225 CA ASP A 15 -6.263 -0.294 -14.573 1.00 0.00 C ATOM 226 C ASP A 15 -4.937 -0.300 -15.291 1.00 0.00 C ATOM 227 O ASP A 15 -4.300 -1.340 -15.355 1.00 0.00 O ATOM 228 CB ASP A 15 -7.405 -0.171 -15.613 1.00 0.00 C ATOM 229 CG ASP A 15 -8.723 -0.498 -14.956 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.155 0.291 -14.073 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.331 -1.545 -15.309 1.00 0.00 O ATOM 0 H ASP A 15 -7.125 1.396 -13.652 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.401 -1.224 -14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.431 0.839 -16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.225 -0.848 -16.448 1.00 0.00 H new ATOM 236 N GLU A 16 -4.509 0.865 -15.821 1.00 0.00 N ATOM 237 CA GLU A 16 -3.218 0.920 -16.492 1.00 0.00 C ATOM 238 C GLU A 16 -2.114 0.556 -15.524 1.00 0.00 C ATOM 239 O GLU A 16 -1.365 -0.356 -15.830 1.00 0.00 O ATOM 240 CB GLU A 16 -2.894 2.294 -17.140 1.00 0.00 C ATOM 241 CG GLU A 16 -3.949 2.698 -18.204 1.00 0.00 C ATOM 242 CD GLU A 16 -3.419 3.832 -19.045 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.505 5.003 -18.587 1.00 0.00 O ATOM 244 OE2 GLU A 16 -2.910 3.559 -20.166 1.00 0.00 O ATOM 0 H GLU A 16 -5.025 1.744 -15.794 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.280 0.198 -17.306 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.850 3.059 -16.365 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.909 2.253 -17.604 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.186 1.843 -18.838 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.876 2.998 -17.715 1.00 0.00 H new ATOM 251 N PHE A 17 -1.960 1.207 -14.348 1.00 0.00 N ATOM 252 CA PHE A 17 -0.867 0.787 -13.467 1.00 0.00 C ATOM 253 C PHE A 17 -0.803 -0.709 -13.290 1.00 0.00 C ATOM 254 O PHE A 17 0.290 -1.240 -13.188 1.00 0.00 O ATOM 255 CB PHE A 17 -1.030 1.355 -12.040 1.00 0.00 C ATOM 256 CG PHE A 17 0.147 0.953 -11.136 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.416 1.458 -11.436 1.00 0.00 C ATOM 258 CD2 PHE A 17 -0.047 0.148 -10.009 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.493 1.141 -10.610 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.040 -0.170 -9.193 1.00 0.00 C ATOM 261 CZ PHE A 17 2.325 0.215 -9.581 1.00 0.00 C ATOM 0 H PHE A 17 -2.541 1.974 -14.010 1.00 0.00 H new ATOM 0 HA PHE A 17 0.032 1.162 -13.956 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.101 2.442 -12.086 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.963 0.993 -11.607 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.560 2.089 -12.301 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.032 -0.225 -9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.453 1.610 -10.766 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.888 -0.709 -8.270 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.188 -0.204 -9.085 1.00 0.00 H new ATOM 271 N MET A 18 -1.968 -1.389 -13.246 1.00 0.00 N ATOM 272 CA MET A 18 -1.984 -2.823 -12.986 1.00 0.00 C ATOM 273 C MET A 18 -1.828 -3.609 -14.265 1.00 0.00 C ATOM 274 O MET A 18 -1.361 -4.734 -14.183 1.00 0.00 O ATOM 275 CB MET A 18 -3.291 -3.207 -12.254 1.00 0.00 C ATOM 276 CG MET A 18 -3.440 -2.499 -10.881 1.00 0.00 C ATOM 277 SD MET A 18 -2.039 -2.924 -9.788 1.00 0.00 S ATOM 278 CE MET A 18 -2.838 -3.616 -8.307 1.00 0.00 C ATOM 0 H MET A 18 -2.887 -0.968 -13.386 1.00 0.00 H new ATOM 0 HA MET A 18 -1.137 -3.072 -12.346 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.143 -2.952 -12.884 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.316 -4.287 -12.106 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.483 -1.419 -11.024 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.378 -2.796 -10.412 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.075 -3.953 -7.606 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.453 -2.850 -7.834 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.466 -4.460 -8.593 1.00 0.00 H new ATOM 288 N LYS A 19 -2.184 -3.064 -15.452 1.00 0.00 N ATOM 289 CA LYS A 19 -1.881 -3.781 -16.686 1.00 0.00 C ATOM 290 C LYS A 19 -0.369 -3.796 -16.820 1.00 0.00 C ATOM 291 O LYS A 19 0.169 -4.813 -17.228 1.00 0.00 O ATOM 292 CB LYS A 19 -2.636 -3.202 -17.924 1.00 0.00 C ATOM 293 CG LYS A 19 -1.863 -2.084 -18.666 1.00 0.00 C ATOM 294 CD LYS A 19 -2.688 -1.463 -19.826 1.00 0.00 C ATOM 295 CE LYS A 19 -1.940 -0.259 -20.464 1.00 0.00 C ATOM 296 NZ LYS A 19 -2.723 0.344 -21.568 1.00 0.00 N ATOM 0 H LYS A 19 -2.660 -2.169 -15.569 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.248 -4.807 -16.643 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.842 -4.013 -18.623 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.599 -2.809 -17.598 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.592 -1.302 -17.957 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.933 -2.491 -19.063 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.879 -2.220 -20.586 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.658 -1.135 -19.452 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.745 0.495 -19.701 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.972 -0.589 -20.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.195 1.144 -21.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.888 -0.369 -22.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.636 0.681 -21.202 1.00 0.00 H new ATOM 310 N LEU A 20 0.338 -2.693 -16.460 1.00 0.00 N ATOM 311 CA LEU A 20 1.802 -2.716 -16.460 1.00 0.00 C ATOM 312 C LEU A 20 2.263 -3.648 -15.360 1.00 0.00 C ATOM 313 O LEU A 20 3.087 -4.510 -15.624 1.00 0.00 O ATOM 314 CB LEU A 20 2.478 -1.333 -16.179 1.00 0.00 C ATOM 315 CG LEU A 20 2.595 -0.337 -17.376 1.00 0.00 C ATOM 316 CD1 LEU A 20 3.527 -0.857 -18.508 1.00 0.00 C ATOM 317 CD2 LEU A 20 1.219 0.068 -17.959 1.00 0.00 C ATOM 0 H LEU A 20 -0.079 -1.806 -16.176 1.00 0.00 H new ATOM 0 HA LEU A 20 2.093 -3.030 -17.462 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.920 -0.840 -15.383 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.481 -1.519 -15.796 1.00 0.00 H new ATOM 0 HG LEU A 20 3.053 0.556 -16.952 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.568 -0.122 -19.312 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.529 -1.016 -18.110 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.137 -1.798 -18.897 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.365 0.761 -18.788 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.699 -0.821 -18.317 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.623 0.549 -17.184 1.00 0.00 H new ATOM 329 N LEU A 21 1.766 -3.470 -14.113 1.00 0.00 N ATOM 330 CA LEU A 21 2.323 -4.218 -12.984 1.00 0.00 C ATOM 331 C LEU A 21 2.197 -5.700 -13.263 1.00 0.00 C ATOM 332 O LEU A 21 3.169 -6.421 -13.103 1.00 0.00 O ATOM 333 CB LEU A 21 1.634 -3.838 -11.638 1.00 0.00 C ATOM 334 CG LEU A 21 2.426 -4.204 -10.351 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.733 -3.372 -10.229 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.561 -3.898 -9.097 1.00 0.00 C ATOM 0 H LEU A 21 1.005 -2.834 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 21 3.376 -3.957 -12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.449 -2.764 -11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.662 -4.329 -11.597 1.00 0.00 H new ATOM 0 HG LEU A 21 2.673 -5.264 -10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.260 -3.654 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.370 -3.566 -11.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.487 -2.311 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.120 -4.156 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.311 -2.837 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.644 -4.486 -9.135 1.00 0.00 H new ATOM 348 N GLY A 22 0.995 -6.143 -13.704 1.00 0.00 N ATOM 349 CA GLY A 22 0.785 -7.526 -14.131 1.00 0.00 C ATOM 350 C GLY A 22 -0.152 -8.227 -13.177 1.00 0.00 C ATOM 351 O GLY A 22 0.304 -9.114 -12.474 1.00 0.00 O ATOM 0 H GLY A 22 0.164 -5.555 -13.769 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.371 -7.545 -15.139 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.739 -8.052 -14.168 1.00 0.00 H new ATOM 355 N ILE A 23 -1.451 -7.834 -13.145 1.00 0.00 N ATOM 356 CA ILE A 23 -2.407 -8.412 -12.195 1.00 0.00 C ATOM 357 C ILE A 23 -3.610 -8.930 -12.954 1.00 0.00 C ATOM 358 O ILE A 23 -3.841 -8.473 -14.062 1.00 0.00 O ATOM 359 CB ILE A 23 -2.850 -7.312 -11.189 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.647 -6.531 -10.587 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.804 -7.838 -10.083 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.718 -7.368 -9.671 1.00 0.00 C ATOM 0 H ILE A 23 -1.847 -7.126 -13.763 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.944 -9.235 -11.651 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.429 -6.602 -11.780 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.054 -6.121 -11.404 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.031 -5.686 -10.016 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.074 -7.019 -9.416 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.705 -8.244 -10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.304 -8.621 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.090 -6.738 -9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.291 -7.757 -8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.299 -8.198 -10.239 1.00 0.00 H new ATOM 374 N SER A 24 -4.381 -9.885 -12.382 1.00 0.00 N ATOM 375 CA SER A 24 -5.513 -10.453 -13.114 1.00 0.00 C ATOM 376 C SER A 24 -6.667 -9.486 -13.249 1.00 0.00 C ATOM 377 O SER A 24 -6.808 -8.611 -12.412 1.00 0.00 O ATOM 378 CB SER A 24 -6.053 -11.752 -12.465 1.00 0.00 C ATOM 379 OG SER A 24 -7.127 -12.271 -13.269 1.00 0.00 O ATOM 0 H SER A 24 -4.239 -10.262 -11.445 1.00 0.00 H new ATOM 0 HA SER A 24 -5.111 -10.679 -14.102 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.255 -12.490 -12.382 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.405 -11.548 -11.454 1.00 0.00 H new ATOM 0 HG SER A 24 -7.936 -12.352 -12.721 1.00 0.00 H new ATOM 385 N SER A 25 -7.508 -9.640 -14.298 1.00 0.00 N ATOM 386 CA SER A 25 -8.602 -8.696 -14.526 1.00 0.00 C ATOM 387 C SER A 25 -9.624 -8.675 -13.413 1.00 0.00 C ATOM 388 O SER A 25 -10.227 -7.633 -13.206 1.00 0.00 O ATOM 389 CB SER A 25 -9.350 -9.050 -15.839 1.00 0.00 C ATOM 390 OG SER A 25 -8.431 -9.147 -16.940 1.00 0.00 O ATOM 0 H SER A 25 -7.445 -10.395 -14.981 1.00 0.00 H new ATOM 0 HA SER A 25 -8.133 -7.714 -14.579 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.880 -9.995 -15.718 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.100 -8.289 -16.052 1.00 0.00 H new ATOM 0 HG SER A 25 -8.922 -9.372 -17.757 1.00 0.00 H new ATOM 396 N ASP A 26 -9.856 -9.799 -12.697 1.00 0.00 N ATOM 397 CA ASP A 26 -10.916 -9.814 -11.689 1.00 0.00 C ATOM 398 C ASP A 26 -10.358 -9.165 -10.453 1.00 0.00 C ATOM 399 O ASP A 26 -11.023 -8.343 -9.843 1.00 0.00 O ATOM 400 CB ASP A 26 -11.423 -11.247 -11.374 1.00 0.00 C ATOM 401 CG ASP A 26 -10.343 -12.110 -10.772 1.00 0.00 C ATOM 402 OD1 ASP A 26 -9.364 -12.424 -11.502 1.00 0.00 O ATOM 403 OD2 ASP A 26 -10.456 -12.473 -9.570 1.00 0.00 O ATOM 0 H ASP A 26 -9.339 -10.673 -12.799 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.783 -9.272 -12.068 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.267 -11.190 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.789 -11.711 -12.290 1.00 0.00 H new ATOM 408 N VAL A 27 -9.110 -9.529 -10.093 1.00 0.00 N ATOM 409 CA VAL A 27 -8.466 -8.908 -8.949 1.00 0.00 C ATOM 410 C VAL A 27 -8.411 -7.420 -9.209 1.00 0.00 C ATOM 411 O VAL A 27 -8.644 -6.662 -8.281 1.00 0.00 O ATOM 412 CB VAL A 27 -7.058 -9.535 -8.745 1.00 0.00 C ATOM 413 CG1 VAL A 27 -6.246 -8.714 -7.716 1.00 0.00 C ATOM 414 CG2 VAL A 27 -7.171 -11.020 -8.291 1.00 0.00 C ATOM 0 H VAL A 27 -8.551 -10.234 -10.573 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.021 -9.079 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.534 -9.512 -9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.263 -9.166 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.130 -7.692 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.772 -8.705 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.173 -11.436 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.717 -11.072 -7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.703 -11.593 -9.051 1.00 0.00 H new ATOM 424 N ILE A 28 -8.120 -6.977 -10.456 1.00 0.00 N ATOM 425 CA ILE A 28 -8.115 -5.542 -10.720 1.00 0.00 C ATOM 426 C ILE A 28 -9.488 -5.003 -10.390 1.00 0.00 C ATOM 427 O ILE A 28 -9.613 -4.229 -9.455 1.00 0.00 O ATOM 428 CB ILE A 28 -7.653 -5.175 -12.166 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.134 -5.491 -12.317 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.924 -3.678 -12.495 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.636 -5.550 -13.786 1.00 0.00 C ATOM 0 H ILE A 28 -7.897 -7.572 -11.254 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.369 -5.067 -10.082 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.229 -5.774 -12.871 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.562 -4.733 -11.782 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.924 -6.446 -11.836 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.589 -3.462 -13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.992 -3.475 -12.415 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.381 -3.047 -11.791 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.570 -5.775 -13.800 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.178 -6.329 -14.323 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.810 -4.588 -14.268 1.00 0.00 H new ATOM 443 N GLU A 29 -10.549 -5.390 -11.127 1.00 0.00 N ATOM 444 CA GLU A 29 -11.846 -4.751 -10.901 1.00 0.00 C ATOM 445 C GLU A 29 -12.330 -4.916 -9.475 1.00 0.00 C ATOM 446 O GLU A 29 -13.148 -4.112 -9.053 1.00 0.00 O ATOM 447 CB GLU A 29 -12.939 -5.278 -11.871 1.00 0.00 C ATOM 448 CG GLU A 29 -12.662 -4.896 -13.352 1.00 0.00 C ATOM 449 CD GLU A 29 -12.581 -3.399 -13.519 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.645 -2.731 -13.415 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.455 -2.876 -13.748 1.00 0.00 O ATOM 0 H GLU A 29 -10.532 -6.109 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.682 -3.691 -11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.002 -6.363 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.908 -4.878 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.729 -5.353 -13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.453 -5.294 -13.988 1.00 0.00 H new ATOM 458 N LYS A 30 -11.855 -5.912 -8.692 1.00 0.00 N ATOM 459 CA LYS A 30 -12.259 -5.959 -7.288 1.00 0.00 C ATOM 460 C LYS A 30 -11.657 -4.747 -6.615 1.00 0.00 C ATOM 461 O LYS A 30 -12.402 -3.885 -6.174 1.00 0.00 O ATOM 462 CB LYS A 30 -11.839 -7.263 -6.552 1.00 0.00 C ATOM 463 CG LYS A 30 -12.722 -8.472 -6.963 1.00 0.00 C ATOM 464 CD LYS A 30 -12.179 -9.845 -6.468 1.00 0.00 C ATOM 465 CE LYS A 30 -12.040 -9.976 -4.920 1.00 0.00 C ATOM 466 NZ LYS A 30 -10.690 -9.642 -4.404 1.00 0.00 N ATOM 0 H LYS A 30 -11.224 -6.654 -8.997 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.348 -5.954 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.795 -7.484 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.911 -7.111 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.728 -8.326 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.806 -8.496 -8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.842 -10.632 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.203 -10.019 -6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.771 -9.323 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.287 -10.997 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.676 -9.752 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.988 -10.280 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.458 -8.659 -4.650 1.00 0.00 H new ATOM 480 N ALA A 31 -10.310 -4.643 -6.542 1.00 0.00 N ATOM 481 CA ALA A 31 -9.710 -3.493 -5.867 1.00 0.00 C ATOM 482 C ALA A 31 -10.001 -2.192 -6.586 1.00 0.00 C ATOM 483 O ALA A 31 -9.709 -1.164 -5.997 1.00 0.00 O ATOM 484 CB ALA A 31 -8.219 -3.716 -5.486 1.00 0.00 C ATOM 0 H ALA A 31 -9.649 -5.317 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.207 -3.394 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.833 -2.826 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.139 -4.570 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.638 -3.908 -6.388 1.00 0.00 H new ATOM 490 N ARG A 32 -10.601 -2.163 -7.803 1.00 0.00 N ATOM 491 CA ARG A 32 -11.112 -0.893 -8.320 1.00 0.00 C ATOM 492 C ARG A 32 -12.132 -0.390 -7.324 1.00 0.00 C ATOM 493 O ARG A 32 -12.022 0.750 -6.900 1.00 0.00 O ATOM 494 CB ARG A 32 -11.785 -0.979 -9.723 1.00 0.00 C ATOM 495 CG ARG A 32 -12.623 0.266 -10.132 1.00 0.00 C ATOM 496 CD ARG A 32 -11.772 1.562 -10.206 1.00 0.00 C ATOM 497 NE ARG A 32 -12.589 2.725 -10.563 1.00 0.00 N ATOM 498 CZ ARG A 32 -12.152 3.966 -10.509 1.00 0.00 C ATOM 499 NH1 ARG A 32 -10.921 4.278 -10.173 1.00 0.00 N ATOM 500 NH2 ARG A 32 -12.982 4.942 -10.806 1.00 0.00 N ATOM 0 H ARG A 32 -10.734 -2.971 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.258 -0.227 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.009 -1.137 -10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.432 -1.856 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.086 0.085 -11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.431 0.407 -9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.290 1.737 -9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.978 1.435 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.548 2.564 -10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.254 3.542 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.632 5.256 -10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.944 4.730 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.664 5.910 -10.770 1.00 0.00 H new ATOM 514 N ASN A 33 -13.133 -1.229 -6.959 1.00 0.00 N ATOM 515 CA ASN A 33 -14.241 -0.758 -6.126 1.00 0.00 C ATOM 516 C ASN A 33 -14.566 -1.736 -5.020 1.00 0.00 C ATOM 517 O ASN A 33 -15.728 -2.062 -4.834 1.00 0.00 O ATOM 518 CB ASN A 33 -15.446 -0.457 -7.058 1.00 0.00 C ATOM 519 CG ASN A 33 -15.737 -1.641 -7.951 1.00 0.00 C ATOM 520 OD1 ASN A 33 -15.361 -1.611 -9.113 1.00 0.00 O ATOM 521 ND2 ASN A 33 -16.394 -2.705 -7.441 1.00 0.00 N ATOM 0 H ASN A 33 -13.187 -2.212 -7.227 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.964 0.160 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.326 -0.221 -6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.231 0.421 -7.667 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.589 -3.514 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.695 -2.699 -6.466 1.00 0.00 H new ATOM 528 N PHE A 34 -13.539 -2.188 -4.262 1.00 0.00 N ATOM 529 CA PHE A 34 -13.766 -3.025 -3.081 1.00 0.00 C ATOM 530 C PHE A 34 -13.210 -2.256 -1.903 1.00 0.00 C ATOM 531 O PHE A 34 -12.041 -1.910 -1.962 1.00 0.00 O ATOM 532 CB PHE A 34 -13.023 -4.370 -3.289 1.00 0.00 C ATOM 533 CG PHE A 34 -12.983 -5.350 -2.106 1.00 0.00 C ATOM 534 CD1 PHE A 34 -13.832 -5.259 -0.998 1.00 0.00 C ATOM 535 CD2 PHE A 34 -12.047 -6.388 -2.164 1.00 0.00 C ATOM 536 CE1 PHE A 34 -13.642 -6.091 0.106 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.942 -7.302 -1.116 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.689 -7.109 0.049 1.00 0.00 C ATOM 0 H PHE A 34 -12.558 -1.984 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.819 -3.248 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.484 -4.882 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.995 -4.146 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.639 -4.541 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.402 -6.482 -3.025 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.230 -5.948 1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.286 -8.155 -1.204 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.529 -7.748 0.905 1.00 0.00 H new ATOM 548 N LYS A 35 -14.005 -1.965 -0.844 1.00 0.00 N ATOM 549 CA LYS A 35 -13.480 -1.226 0.303 1.00 0.00 C ATOM 550 C LYS A 35 -12.546 -2.165 1.045 1.00 0.00 C ATOM 551 O LYS A 35 -12.926 -2.710 2.070 1.00 0.00 O ATOM 552 CB LYS A 35 -14.601 -0.706 1.255 1.00 0.00 C ATOM 553 CG LYS A 35 -15.435 0.519 0.762 1.00 0.00 C ATOM 554 CD LYS A 35 -16.327 0.292 -0.494 1.00 0.00 C ATOM 555 CE LYS A 35 -15.615 0.642 -1.833 1.00 0.00 C ATOM 556 NZ LYS A 35 -16.439 0.249 -2.998 1.00 0.00 N ATOM 0 H LYS A 35 -14.988 -2.229 -0.771 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.959 -0.336 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.289 -1.529 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.142 -0.442 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.076 0.847 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.747 1.337 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.643 -0.751 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.230 0.896 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.414 1.713 -1.872 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.651 0.135 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.296 0.931 -3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.158 -0.700 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.443 0.240 -2.726 1.00 0.00 H new ATOM 570 N ILE A 36 -11.304 -2.359 0.544 1.00 0.00 N ATOM 571 CA ILE A 36 -10.322 -3.163 1.273 1.00 0.00 C ATOM 572 C ILE A 36 -10.021 -2.414 2.549 1.00 0.00 C ATOM 573 O ILE A 36 -10.015 -1.194 2.501 1.00 0.00 O ATOM 574 CB ILE A 36 -9.039 -3.419 0.414 1.00 0.00 C ATOM 575 CG1 ILE A 36 -9.385 -4.462 -0.697 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.814 -3.821 1.286 1.00 0.00 C ATOM 577 CD1 ILE A 36 -8.201 -4.846 -1.622 1.00 0.00 C ATOM 0 H ILE A 36 -10.973 -1.976 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.714 -4.155 1.500 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.730 -2.492 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.764 -5.367 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.192 -4.063 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.949 -3.988 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.592 -3.021 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.041 -4.736 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.537 -5.574 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.834 -3.955 -2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.398 -5.279 -1.025 1.00 0.00 H new ATOM 589 N VAL A 37 -9.778 -3.114 3.685 1.00 0.00 N ATOM 590 CA VAL A 37 -9.500 -2.424 4.942 1.00 0.00 C ATOM 591 C VAL A 37 -8.012 -2.456 5.129 1.00 0.00 C ATOM 592 O VAL A 37 -7.356 -3.337 4.595 1.00 0.00 O ATOM 593 CB VAL A 37 -10.250 -3.058 6.147 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.907 -2.437 7.533 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.769 -2.918 5.900 1.00 0.00 C ATOM 0 H VAL A 37 -9.771 -4.132 3.744 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.863 -1.397 4.897 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.925 -4.097 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.478 -2.944 8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.842 -2.555 7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.161 -1.377 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.315 -3.357 6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.028 -1.863 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.037 -3.435 4.979 1.00 0.00 H new ATOM 605 N THR A 38 -7.484 -1.479 5.890 1.00 0.00 N ATOM 606 CA THR A 38 -6.052 -1.389 6.100 1.00 0.00 C ATOM 607 C THR A 38 -5.831 -0.983 7.525 1.00 0.00 C ATOM 608 O THR A 38 -6.710 -0.361 8.095 1.00 0.00 O ATOM 609 CB THR A 38 -5.469 -0.400 5.061 1.00 0.00 C ATOM 610 OG1 THR A 38 -5.610 -0.983 3.755 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.994 -0.016 5.346 1.00 0.00 C ATOM 0 H THR A 38 -8.030 -0.756 6.358 1.00 0.00 H new ATOM 0 HA THR A 38 -5.534 -2.336 5.949 1.00 0.00 H new ATOM 0 HB THR A 38 -6.028 0.534 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.756 -1.376 3.478 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.645 0.679 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.924 0.456 6.326 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.375 -0.913 5.330 1.00 0.00 H new ATOM 619 N GLU A 39 -4.673 -1.331 8.115 1.00 0.00 N ATOM 620 CA GLU A 39 -4.371 -0.851 9.452 1.00 0.00 C ATOM 621 C GLU A 39 -2.878 -0.779 9.594 1.00 0.00 C ATOM 622 O GLU A 39 -2.201 -1.451 8.832 1.00 0.00 O ATOM 623 CB GLU A 39 -5.022 -1.726 10.554 1.00 0.00 C ATOM 624 CG GLU A 39 -4.438 -3.158 10.536 1.00 0.00 C ATOM 625 CD GLU A 39 -5.055 -4.041 11.593 1.00 0.00 C ATOM 626 OE1 GLU A 39 -6.258 -3.850 11.919 1.00 0.00 O ATOM 627 OE2 GLU A 39 -4.338 -4.943 12.106 1.00 0.00 O ATOM 0 H GLU A 39 -3.959 -1.925 7.693 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.801 0.142 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.854 -1.272 11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.101 -1.767 10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.601 -3.602 9.554 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.360 -3.110 10.689 1.00 0.00 H new ATOM 634 N VAL A 40 -2.366 0.045 10.534 1.00 0.00 N ATOM 635 CA VAL A 40 -0.928 0.264 10.599 1.00 0.00 C ATOM 636 C VAL A 40 -0.474 0.378 12.030 1.00 0.00 C ATOM 637 O VAL A 40 -1.271 0.782 12.862 1.00 0.00 O ATOM 638 CB VAL A 40 -0.552 1.546 9.799 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.986 1.688 9.664 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.180 1.529 8.379 1.00 0.00 C ATOM 0 H VAL A 40 -2.915 0.548 11.231 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.420 -0.591 10.151 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.948 2.395 10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.220 2.592 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.434 1.752 10.656 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.387 0.820 9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.899 2.437 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.817 0.660 7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.266 1.478 8.462 1.00 0.00 H new ATOM 650 N GLN A 41 0.803 0.034 12.317 1.00 0.00 N ATOM 651 CA GLN A 41 1.358 0.271 13.643 1.00 0.00 C ATOM 652 C GLN A 41 2.810 0.656 13.467 1.00 0.00 C ATOM 653 O GLN A 41 3.605 -0.215 13.158 1.00 0.00 O ATOM 654 CB GLN A 41 1.228 -1.023 14.486 1.00 0.00 C ATOM 655 CG GLN A 41 1.899 -0.877 15.880 1.00 0.00 C ATOM 656 CD GLN A 41 1.918 -2.173 16.656 1.00 0.00 C ATOM 657 OE1 GLN A 41 1.399 -3.173 16.184 1.00 0.00 O ATOM 658 NE2 GLN A 41 2.524 -2.178 17.864 1.00 0.00 N ATOM 0 H GLN A 41 1.446 -0.399 11.654 1.00 0.00 H new ATOM 0 HA GLN A 41 0.826 1.069 14.161 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.174 -1.268 14.615 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.685 -1.854 13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.921 -0.520 15.751 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.368 -0.120 16.457 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.947 -1.323 18.226 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.559 -3.037 18.414 1.00 0.00 H new ATOM 667 N GLN A 42 3.187 1.938 13.659 1.00 0.00 N ATOM 668 CA GLN A 42 4.604 2.289 13.648 1.00 0.00 C ATOM 669 C GLN A 42 5.166 1.801 14.963 1.00 0.00 C ATOM 670 O GLN A 42 5.212 2.580 15.902 1.00 0.00 O ATOM 671 CB GLN A 42 4.825 3.815 13.451 1.00 0.00 C ATOM 672 CG GLN A 42 6.332 4.180 13.402 1.00 0.00 C ATOM 673 CD GLN A 42 6.516 5.641 13.065 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.830 5.957 11.928 1.00 0.00 O ATOM 675 NE2 GLN A 42 6.324 6.559 14.037 1.00 0.00 N ATOM 0 H GLN A 42 2.547 2.716 13.818 1.00 0.00 H new ATOM 0 HA GLN A 42 5.115 1.821 12.807 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.344 4.135 12.527 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.346 4.359 14.265 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.796 3.962 14.364 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.837 3.564 12.658 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.062 6.260 14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.441 7.551 13.832 1.00 0.00 H new ATOM 684 N ASP A 43 5.601 0.522 15.062 1.00 0.00 N ATOM 685 CA ASP A 43 6.248 0.051 16.285 1.00 0.00 C ATOM 686 C ASP A 43 7.675 0.543 16.201 1.00 0.00 C ATOM 687 O ASP A 43 8.583 -0.255 16.027 1.00 0.00 O ATOM 688 CB ASP A 43 6.155 -1.497 16.398 1.00 0.00 C ATOM 689 CG ASP A 43 6.800 -1.974 17.674 1.00 0.00 C ATOM 690 OD1 ASP A 43 6.185 -1.781 18.758 1.00 0.00 O ATOM 691 OD2 ASP A 43 7.923 -2.544 17.607 1.00 0.00 O ATOM 0 H ASP A 43 5.514 -0.177 14.324 1.00 0.00 H new ATOM 0 HA ASP A 43 5.764 0.433 17.184 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.110 -1.807 16.374 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.645 -1.960 15.541 1.00 0.00 H new ATOM 696 N GLY A 44 7.890 1.875 16.304 1.00 0.00 N ATOM 697 CA GLY A 44 9.230 2.406 16.093 1.00 0.00 C ATOM 698 C GLY A 44 9.649 2.227 14.653 1.00 0.00 C ATOM 699 O GLY A 44 8.808 2.000 13.797 1.00 0.00 O ATOM 0 H GLY A 44 7.175 2.568 16.524 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.254 3.463 16.356 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.936 1.898 16.749 1.00 0.00 H new ATOM 703 N GLN A 45 10.973 2.335 14.401 1.00 0.00 N ATOM 704 CA GLN A 45 11.532 2.124 13.060 1.00 0.00 C ATOM 705 C GLN A 45 10.914 0.906 12.405 1.00 0.00 C ATOM 706 O GLN A 45 10.713 0.941 11.201 1.00 0.00 O ATOM 707 CB GLN A 45 13.079 1.960 13.177 1.00 0.00 C ATOM 708 CG GLN A 45 13.828 2.174 11.838 1.00 0.00 C ATOM 709 CD GLN A 45 15.307 1.899 11.987 1.00 0.00 C ATOM 710 OE1 GLN A 45 15.775 0.873 11.517 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.073 2.799 12.642 1.00 0.00 N ATOM 0 H GLN A 45 11.667 2.567 15.111 1.00 0.00 H new ATOM 0 HA GLN A 45 11.303 2.986 12.434 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.457 2.670 13.913 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.303 0.962 13.553 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.409 1.518 11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.679 3.198 11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.652 3.646 13.023 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.073 2.631 12.756 1.00 0.00 H new ATOM 720 N ASP A 46 10.590 -0.170 13.164 1.00 0.00 N ATOM 721 CA ASP A 46 9.905 -1.312 12.561 1.00 0.00 C ATOM 722 C ASP A 46 8.432 -1.001 12.454 1.00 0.00 C ATOM 723 O ASP A 46 7.834 -0.741 13.486 1.00 0.00 O ATOM 724 CB ASP A 46 10.099 -2.632 13.347 1.00 0.00 C ATOM 725 CG ASP A 46 9.287 -3.732 12.705 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.744 -4.288 11.670 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.182 -4.044 13.226 1.00 0.00 O ATOM 0 H ASP A 46 10.789 -0.260 14.160 1.00 0.00 H new ATOM 0 HA ASP A 46 10.348 -1.468 11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.154 -2.906 13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.791 -2.498 14.384 1.00 0.00 H new ATOM 732 N PHE A 47 7.826 -1.029 11.243 1.00 0.00 N ATOM 733 CA PHE A 47 6.382 -0.836 11.134 1.00 0.00 C ATOM 734 C PHE A 47 5.744 -2.205 11.129 1.00 0.00 C ATOM 735 O PHE A 47 6.436 -3.174 10.858 1.00 0.00 O ATOM 736 CB PHE A 47 5.935 -0.100 9.843 1.00 0.00 C ATOM 737 CG PHE A 47 6.255 1.409 9.793 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.443 1.947 10.304 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.333 2.285 9.204 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.727 3.310 10.171 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.651 3.628 8.987 1.00 0.00 C ATOM 742 CZ PHE A 47 6.846 4.147 9.484 1.00 0.00 C ATOM 0 H PHE A 47 8.309 -1.180 10.357 1.00 0.00 H new ATOM 0 HA PHE A 47 6.075 -0.213 11.974 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.409 -0.583 8.988 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.859 -0.229 9.726 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.148 1.302 10.807 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.361 1.916 8.913 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.631 3.716 10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.973 4.263 8.436 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.088 5.189 9.338 1.00 0.00 H new ATOM 752 N THR A 48 4.421 -2.282 11.409 1.00 0.00 N ATOM 753 CA THR A 48 3.696 -3.547 11.315 1.00 0.00 C ATOM 754 C THR A 48 2.447 -3.183 10.532 1.00 0.00 C ATOM 755 O THR A 48 1.400 -2.937 11.111 1.00 0.00 O ATOM 756 CB THR A 48 3.489 -4.201 12.724 1.00 0.00 C ATOM 757 OG1 THR A 48 2.111 -4.155 13.136 1.00 0.00 O ATOM 758 CG2 THR A 48 4.385 -3.549 13.816 1.00 0.00 C ATOM 0 H THR A 48 3.850 -1.487 11.697 1.00 0.00 H new ATOM 0 HA THR A 48 4.227 -4.345 10.796 1.00 0.00 H new ATOM 0 HB THR A 48 3.789 -5.244 12.617 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.633 -3.485 12.604 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.205 -4.037 14.774 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.434 -3.664 13.542 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.145 -2.489 13.898 1.00 0.00 H new ATOM 766 N TRP A 49 2.557 -3.101 9.185 1.00 0.00 N ATOM 767 CA TRP A 49 1.411 -2.700 8.370 1.00 0.00 C ATOM 768 C TRP A 49 0.504 -3.894 8.227 1.00 0.00 C ATOM 769 O TRP A 49 0.989 -4.995 8.430 1.00 0.00 O ATOM 770 CB TRP A 49 1.882 -2.308 6.947 1.00 0.00 C ATOM 771 CG TRP A 49 1.066 -1.297 6.195 1.00 0.00 C ATOM 772 CD1 TRP A 49 -0.036 -1.476 5.451 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.414 0.165 6.118 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.369 -0.339 4.891 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.483 0.653 5.225 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.380 0.970 6.713 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.527 1.978 4.792 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.378 2.321 6.351 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.508 2.801 5.362 1.00 0.00 C ATOM 0 H TRP A 49 3.408 -3.303 8.661 1.00 0.00 H new ATOM 0 HA TRP A 49 0.908 -1.856 8.843 1.00 0.00 H new ATOM 0 HB2 TRP A 49 2.900 -1.927 7.024 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.927 -3.217 6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.565 -2.410 5.332 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.175 -0.218 4.277 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.095 0.572 7.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -0.164 2.353 4.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.056 3.004 6.840 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.595 3.826 5.033 1.00 0.00 H new ATOM 790 N SER A 50 -0.775 -3.724 7.832 1.00 0.00 N ATOM 791 CA SER A 50 -1.559 -4.887 7.422 1.00 0.00 C ATOM 792 C SER A 50 -2.680 -4.491 6.492 1.00 0.00 C ATOM 793 O SER A 50 -3.062 -3.332 6.516 1.00 0.00 O ATOM 794 CB SER A 50 -2.115 -5.731 8.592 1.00 0.00 C ATOM 795 OG SER A 50 -1.104 -6.098 9.542 1.00 0.00 O ATOM 0 H SER A 50 -1.263 -2.829 7.791 1.00 0.00 H new ATOM 0 HA SER A 50 -0.852 -5.528 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.898 -5.168 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.579 -6.634 8.195 1.00 0.00 H new ATOM 0 HG SER A 50 -0.218 -5.946 9.152 1.00 0.00 H new ATOM 801 N GLN A 51 -3.194 -5.443 5.674 1.00 0.00 N ATOM 802 CA GLN A 51 -4.220 -5.128 4.683 1.00 0.00 C ATOM 803 C GLN A 51 -5.269 -6.217 4.781 1.00 0.00 C ATOM 804 O GLN A 51 -4.928 -7.340 4.440 1.00 0.00 O ATOM 805 CB GLN A 51 -3.561 -5.052 3.278 1.00 0.00 C ATOM 806 CG GLN A 51 -2.277 -4.176 3.310 1.00 0.00 C ATOM 807 CD GLN A 51 -1.710 -3.881 1.941 1.00 0.00 C ATOM 808 OE1 GLN A 51 -2.376 -4.112 0.944 1.00 0.00 O ATOM 809 NE2 GLN A 51 -0.467 -3.354 1.865 1.00 0.00 N ATOM 0 H GLN A 51 -2.910 -6.422 5.690 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.694 -4.162 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.312 -6.056 2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.270 -4.637 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.502 -3.235 3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.518 -4.681 3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.063 -3.173 2.717 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.060 -3.137 0.955 1.00 0.00 H new ATOM 818 N HIS A 52 -6.510 -5.944 5.261 1.00 0.00 N ATOM 819 CA HIS A 52 -7.464 -7.026 5.519 1.00 0.00 C ATOM 820 C HIS A 52 -8.466 -7.145 4.397 1.00 0.00 C ATOM 821 O HIS A 52 -9.022 -6.122 4.030 1.00 0.00 O ATOM 822 CB HIS A 52 -8.264 -6.886 6.839 1.00 0.00 C ATOM 823 CG HIS A 52 -7.409 -6.453 7.998 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.963 -7.273 8.920 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.998 -5.195 8.254 1.00 0.00 C ATOM 826 CE1 HIS A 52 -6.253 -6.615 9.778 1.00 0.00 C ATOM 827 NE2 HIS A 52 -6.235 -5.405 9.454 1.00 0.00 N ATOM 0 H HIS A 52 -6.856 -5.007 5.469 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.837 -7.914 5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.067 -6.163 6.696 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.733 -7.841 7.077 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -7.148 -8.276 8.955 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.189 -4.282 7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.755 -7.041 10.637 1.00 0.00 H new ATOM 835 N TYR A 53 -8.718 -8.365 3.861 1.00 0.00 N ATOM 836 CA TYR A 53 -9.728 -8.525 2.816 1.00 0.00 C ATOM 837 C TYR A 53 -10.002 -9.994 2.562 1.00 0.00 C ATOM 838 O TYR A 53 -9.103 -10.785 2.788 1.00 0.00 O ATOM 839 CB TYR A 53 -9.277 -7.836 1.507 1.00 0.00 C ATOM 840 CG TYR A 53 -7.912 -8.296 0.979 1.00 0.00 C ATOM 841 CD1 TYR A 53 -6.728 -7.764 1.500 1.00 0.00 C ATOM 842 CD2 TYR A 53 -7.842 -9.221 -0.069 1.00 0.00 C ATOM 843 CE1 TYR A 53 -5.497 -8.092 0.927 1.00 0.00 C ATOM 844 CE2 TYR A 53 -6.614 -9.533 -0.657 1.00 0.00 C ATOM 845 CZ TYR A 53 -5.433 -8.975 -0.159 1.00 0.00 C ATOM 846 OH TYR A 53 -4.217 -9.305 -0.759 1.00 0.00 O ATOM 0 H TYR A 53 -8.243 -9.225 4.134 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.647 -8.050 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.029 -8.018 0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.244 -6.759 1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.766 -7.097 2.349 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.744 -9.697 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.589 -7.662 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.577 -10.208 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.005 -10.244 -0.574 1.00 0.00 H new ATOM 856 N SER A 54 -11.215 -10.382 2.102 1.00 0.00 N ATOM 857 CA SER A 54 -11.487 -11.781 1.769 1.00 0.00 C ATOM 858 C SER A 54 -11.272 -12.691 2.958 1.00 0.00 C ATOM 859 O SER A 54 -10.475 -13.612 2.875 1.00 0.00 O ATOM 860 CB SER A 54 -10.708 -12.209 0.495 1.00 0.00 C ATOM 861 OG SER A 54 -11.190 -11.499 -0.658 1.00 0.00 O ATOM 0 H SER A 54 -12.003 -9.750 1.958 1.00 0.00 H new ATOM 0 HA SER A 54 -12.544 -11.881 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.644 -12.013 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.817 -13.282 0.339 1.00 0.00 H new ATOM 0 HG SER A 54 -10.686 -11.781 -1.450 1.00 0.00 H new ATOM 867 N GLY A 55 -12.021 -12.440 4.059 1.00 0.00 N ATOM 868 CA GLY A 55 -12.070 -13.377 5.181 1.00 0.00 C ATOM 869 C GLY A 55 -10.732 -13.972 5.551 1.00 0.00 C ATOM 870 O GLY A 55 -9.986 -13.315 6.261 1.00 0.00 O ATOM 0 H GLY A 55 -12.590 -11.603 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.479 -12.863 6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.759 -14.185 4.935 1.00 0.00 H new ATOM 874 N GLY A 56 -10.400 -15.201 5.085 1.00 0.00 N ATOM 875 CA GLY A 56 -9.136 -15.830 5.470 1.00 0.00 C ATOM 876 C GLY A 56 -8.001 -15.340 4.602 1.00 0.00 C ATOM 877 O GLY A 56 -7.375 -16.143 3.928 1.00 0.00 O ATOM 0 H GLY A 56 -10.982 -15.756 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.920 -15.610 6.516 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.223 -16.913 5.383 1.00 0.00 H new ATOM 881 N HIS A 57 -7.721 -14.018 4.620 1.00 0.00 N ATOM 882 CA HIS A 57 -6.622 -13.470 3.829 1.00 0.00 C ATOM 883 C HIS A 57 -6.322 -12.090 4.367 1.00 0.00 C ATOM 884 O HIS A 57 -6.639 -11.105 3.722 1.00 0.00 O ATOM 885 CB HIS A 57 -6.945 -13.480 2.313 1.00 0.00 C ATOM 886 CG HIS A 57 -5.743 -12.997 1.539 1.00 0.00 C ATOM 887 ND1 HIS A 57 -4.781 -13.768 1.080 1.00 0.00 N ATOM 888 CD2 HIS A 57 -5.489 -11.715 1.221 1.00 0.00 C ATOM 889 CE1 HIS A 57 -3.900 -13.044 0.463 1.00 0.00 C ATOM 890 NE2 HIS A 57 -4.249 -11.841 0.506 1.00 0.00 N ATOM 0 H HIS A 57 -8.237 -13.329 5.167 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.731 -14.091 3.923 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.215 -14.487 1.995 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.803 -12.840 2.109 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.735 -14.781 1.192 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.064 -10.828 1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.006 -13.419 -0.013 1.00 0.00 H new ATOM 898 N THR A 58 -5.708 -11.995 5.568 1.00 0.00 N ATOM 899 CA THR A 58 -5.206 -10.700 6.008 1.00 0.00 C ATOM 900 C THR A 58 -3.809 -10.642 5.441 1.00 0.00 C ATOM 901 O THR A 58 -2.903 -11.184 6.054 1.00 0.00 O ATOM 902 CB THR A 58 -5.188 -10.524 7.548 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.541 -10.645 8.022 1.00 0.00 O ATOM 904 CG2 THR A 58 -4.577 -9.140 7.902 1.00 0.00 C ATOM 0 H THR A 58 -5.558 -12.769 6.215 1.00 0.00 H new ATOM 0 HA THR A 58 -5.854 -9.894 5.663 1.00 0.00 H new ATOM 0 HB THR A 58 -4.574 -11.286 8.028 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.557 -10.539 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.564 -9.014 8.985 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.559 -9.083 7.517 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.180 -8.351 7.453 1.00 0.00 H new ATOM 912 N MET A 59 -3.606 -9.998 4.271 1.00 0.00 N ATOM 913 CA MET A 59 -2.247 -9.894 3.742 1.00 0.00 C ATOM 914 C MET A 59 -1.521 -8.939 4.658 1.00 0.00 C ATOM 915 O MET A 59 -2.208 -8.113 5.240 1.00 0.00 O ATOM 916 CB MET A 59 -2.243 -9.318 2.302 1.00 0.00 C ATOM 917 CG MET A 59 -0.893 -9.532 1.568 1.00 0.00 C ATOM 918 SD MET A 59 -0.753 -8.588 0.017 1.00 0.00 S ATOM 919 CE MET A 59 -0.981 -6.889 0.629 1.00 0.00 C ATOM 0 H MET A 59 -4.334 -9.564 3.704 1.00 0.00 H new ATOM 0 HA MET A 59 -1.777 -10.877 3.700 1.00 0.00 H new ATOM 0 HB2 MET A 59 -3.041 -9.787 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.463 -8.251 2.343 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.078 -9.247 2.233 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.771 -10.593 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.258 -6.229 0.149 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.991 -6.551 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.831 -6.868 1.708 1.00 0.00 H new ATOM 929 N THR A 60 -0.176 -9.010 4.807 1.00 0.00 N ATOM 930 CA THR A 60 0.517 -8.047 5.660 1.00 0.00 C ATOM 931 C THR A 60 1.789 -7.542 5.022 1.00 0.00 C ATOM 932 O THR A 60 2.343 -8.250 4.198 1.00 0.00 O ATOM 933 CB THR A 60 0.722 -8.665 7.073 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.396 -8.378 7.927 1.00 0.00 O ATOM 935 CG2 THR A 60 2.016 -8.223 7.802 1.00 0.00 C ATOM 0 H THR A 60 0.423 -9.703 4.359 1.00 0.00 H new ATOM 0 HA THR A 60 -0.100 -7.156 5.781 1.00 0.00 H new ATOM 0 HB THR A 60 0.813 -9.734 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.222 -7.553 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.068 -8.707 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.884 -8.509 7.208 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.008 -7.141 7.934 1.00 0.00 H new ATOM 943 N ASN A 61 2.243 -6.318 5.396 1.00 0.00 N ATOM 944 CA ASN A 61 3.444 -5.732 4.806 1.00 0.00 C ATOM 945 C ASN A 61 4.273 -5.141 5.926 1.00 0.00 C ATOM 946 O ASN A 61 4.330 -3.929 6.063 1.00 0.00 O ATOM 947 CB ASN A 61 3.000 -4.676 3.759 1.00 0.00 C ATOM 948 CG ASN A 61 2.109 -5.322 2.727 1.00 0.00 C ATOM 949 OD1 ASN A 61 0.940 -5.504 3.027 1.00 0.00 O ATOM 950 ND2 ASN A 61 2.608 -5.682 1.525 1.00 0.00 N ATOM 0 H ASN A 61 1.790 -5.733 6.098 1.00 0.00 H new ATOM 0 HA ASN A 61 4.060 -6.468 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.469 -3.862 4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.874 -4.240 3.276 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.002 -6.122 0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.591 -5.514 1.310 1.00 0.00 H new ATOM 957 N LYS A 62 4.931 -5.986 6.755 1.00 0.00 N ATOM 958 CA LYS A 62 5.807 -5.440 7.790 1.00 0.00 C ATOM 959 C LYS A 62 7.093 -4.985 7.145 1.00 0.00 C ATOM 960 O LYS A 62 7.427 -5.497 6.088 1.00 0.00 O ATOM 961 CB LYS A 62 6.121 -6.410 8.965 1.00 0.00 C ATOM 962 CG LYS A 62 7.087 -7.565 8.574 1.00 0.00 C ATOM 963 CD LYS A 62 7.382 -8.543 9.747 1.00 0.00 C ATOM 964 CE LYS A 62 8.167 -7.889 10.921 1.00 0.00 C ATOM 965 NZ LYS A 62 8.613 -8.904 11.904 1.00 0.00 N ATOM 0 H LYS A 62 4.870 -7.004 6.724 1.00 0.00 H new ATOM 0 HA LYS A 62 5.265 -4.610 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.559 -5.843 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.188 -6.836 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.656 -8.124 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.026 -7.140 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.439 -8.937 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.952 -9.391 9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.032 -7.355 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.535 -7.152 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.133 -8.437 12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.784 -9.396 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.235 -9.592 11.434 1.00 0.00 H new ATOM 979 N PHE A 63 7.826 -4.042 7.778 1.00 0.00 N ATOM 980 CA PHE A 63 9.121 -3.626 7.242 1.00 0.00 C ATOM 981 C PHE A 63 9.849 -2.790 8.265 1.00 0.00 C ATOM 982 O PHE A 63 9.233 -2.450 9.263 1.00 0.00 O ATOM 983 CB PHE A 63 8.949 -2.824 5.925 1.00 0.00 C ATOM 984 CG PHE A 63 7.921 -1.698 6.091 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.265 -0.514 6.750 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.628 -1.846 5.574 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.321 0.507 6.896 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.677 -0.835 5.737 1.00 0.00 C ATOM 989 CZ PHE A 63 6.024 0.339 6.407 1.00 0.00 C ATOM 0 H PHE A 63 7.544 -3.571 8.638 1.00 0.00 H new ATOM 0 HA PHE A 63 9.705 -4.519 7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.908 -2.403 5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.632 -3.495 5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.261 -0.388 7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.363 -2.749 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.596 1.428 7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.678 -0.962 5.346 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.289 1.118 6.547 1.00 0.00 H new ATOM 999 N THR A 64 11.138 -2.450 8.028 1.00 0.00 N ATOM 1000 CA THR A 64 11.860 -1.563 8.935 1.00 0.00 C ATOM 1001 C THR A 64 12.486 -0.485 8.086 1.00 0.00 C ATOM 1002 O THR A 64 13.108 -0.827 7.093 1.00 0.00 O ATOM 1003 CB THR A 64 12.852 -2.355 9.823 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.158 -3.317 10.637 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.621 -1.408 10.776 1.00 0.00 C ATOM 0 H THR A 64 11.681 -2.776 7.228 1.00 0.00 H new ATOM 0 HA THR A 64 11.197 -1.086 9.657 1.00 0.00 H new ATOM 0 HB THR A 64 13.545 -2.858 9.149 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.192 -3.170 10.565 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.311 -1.989 11.388 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.181 -0.679 10.191 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.913 -0.888 11.421 1.00 0.00 H new ATOM 1013 N VAL A 65 12.294 0.812 8.435 1.00 0.00 N ATOM 1014 CA VAL A 65 12.635 1.882 7.515 1.00 0.00 C ATOM 1015 C VAL A 65 14.101 2.191 7.682 1.00 0.00 C ATOM 1016 O VAL A 65 14.609 2.060 8.784 1.00 0.00 O ATOM 1017 CB VAL A 65 11.706 3.128 7.658 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.256 2.747 8.055 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.249 4.214 8.617 1.00 0.00 C ATOM 0 H VAL A 65 11.913 1.119 9.330 1.00 0.00 H new ATOM 0 HA VAL A 65 12.460 1.556 6.490 1.00 0.00 H new ATOM 0 HB VAL A 65 11.692 3.564 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.653 3.651 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.829 2.097 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.266 2.225 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.546 5.045 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.373 3.790 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.212 4.572 8.253 1.00 0.00 H new ATOM 1029 N GLY A 66 14.803 2.575 6.595 1.00 0.00 N ATOM 1030 CA GLY A 66 16.243 2.763 6.686 1.00 0.00 C ATOM 1031 C GLY A 66 16.971 1.451 6.863 1.00 0.00 C ATOM 1032 O GLY A 66 18.167 1.532 7.099 1.00 0.00 O ATOM 0 H GLY A 66 14.400 2.753 5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.602 3.259 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.471 3.421 7.524 1.00 0.00 H new ATOM 1036 N LYS A 67 16.320 0.260 6.764 1.00 0.00 N ATOM 1037 CA LYS A 67 17.041 -0.996 7.001 1.00 0.00 C ATOM 1038 C LYS A 67 16.751 -2.143 6.051 1.00 0.00 C ATOM 1039 O LYS A 67 17.314 -3.204 6.268 1.00 0.00 O ATOM 1040 CB LYS A 67 16.715 -1.443 8.457 1.00 0.00 C ATOM 1041 CG LYS A 67 17.950 -2.084 9.145 1.00 0.00 C ATOM 1042 CD LYS A 67 17.652 -2.640 10.567 1.00 0.00 C ATOM 1043 CE LYS A 67 16.736 -3.899 10.602 1.00 0.00 C ATOM 1044 NZ LYS A 67 17.263 -5.046 9.826 1.00 0.00 N ATOM 0 H LYS A 67 15.333 0.155 6.530 1.00 0.00 H new ATOM 0 HA LYS A 67 18.094 -0.775 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.380 -0.583 9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.893 -2.158 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 67 18.325 -2.893 8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.744 -1.340 9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.598 -2.884 11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.185 -1.852 11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.598 -4.207 11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.753 -3.632 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.627 -5.862 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.322 -4.787 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.210 -5.295 10.175 1.00 0.00 H new ATOM 1058 N GLU A 68 15.906 -1.983 5.010 1.00 0.00 N ATOM 1059 CA GLU A 68 15.588 -3.079 4.099 1.00 0.00 C ATOM 1060 C GLU A 68 14.907 -4.262 4.753 1.00 0.00 C ATOM 1061 O GLU A 68 15.300 -4.664 5.836 1.00 0.00 O ATOM 1062 CB GLU A 68 16.830 -3.511 3.279 1.00 0.00 C ATOM 1063 CG GLU A 68 16.420 -4.263 1.989 1.00 0.00 C ATOM 1064 CD GLU A 68 17.637 -4.698 1.214 1.00 0.00 C ATOM 1065 OE1 GLU A 68 18.305 -5.673 1.653 1.00 0.00 O ATOM 1066 OE2 GLU A 68 17.936 -4.071 0.161 1.00 0.00 O ATOM 0 H GLU A 68 15.438 -1.104 4.789 1.00 0.00 H new ATOM 0 HA GLU A 68 14.845 -2.675 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.420 -2.632 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.466 -4.152 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.817 -5.134 2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.799 -3.617 1.368 1.00 0.00 H new ATOM 1073 N SER A 69 13.880 -4.844 4.088 1.00 0.00 N ATOM 1074 CA SER A 69 13.215 -6.034 4.613 1.00 0.00 C ATOM 1075 C SER A 69 12.407 -6.655 3.498 1.00 0.00 C ATOM 1076 O SER A 69 12.183 -5.963 2.517 1.00 0.00 O ATOM 1077 CB SER A 69 12.259 -5.673 5.778 1.00 0.00 C ATOM 1078 OG SER A 69 13.014 -5.258 6.929 1.00 0.00 O ATOM 0 H SER A 69 13.507 -4.506 3.201 1.00 0.00 H new ATOM 0 HA SER A 69 13.971 -6.724 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.584 -4.875 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.640 -6.534 6.031 1.00 0.00 H new ATOM 0 HG SER A 69 13.972 -5.340 6.739 1.00 0.00 H new ATOM 1084 N ASN A 70 11.963 -7.928 3.608 1.00 0.00 N ATOM 1085 CA ASN A 70 11.149 -8.490 2.535 1.00 0.00 C ATOM 1086 C ASN A 70 9.769 -7.873 2.609 1.00 0.00 C ATOM 1087 O ASN A 70 9.297 -7.685 3.719 1.00 0.00 O ATOM 1088 CB ASN A 70 11.046 -10.035 2.538 1.00 0.00 C ATOM 1089 CG ASN A 70 10.395 -10.554 3.799 1.00 0.00 C ATOM 1090 OD1 ASN A 70 9.175 -10.580 3.854 1.00 0.00 O ATOM 1091 ND2 ASN A 70 11.167 -10.970 4.828 1.00 0.00 N ATOM 0 H ASN A 70 12.149 -8.551 4.394 1.00 0.00 H new ATOM 0 HA ASN A 70 11.650 -8.246 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.471 -10.362 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.043 -10.465 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.733 -11.319 5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.183 -10.935 4.750 1.00 0.00 H new ATOM 1098 N ILE A 71 9.120 -7.548 1.463 1.00 0.00 N ATOM 1099 CA ILE A 71 7.790 -6.936 1.474 1.00 0.00 C ATOM 1100 C ILE A 71 6.964 -7.594 0.394 1.00 0.00 C ATOM 1101 O ILE A 71 7.551 -7.954 -0.613 1.00 0.00 O ATOM 1102 CB ILE A 71 7.906 -5.400 1.241 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.857 -4.812 2.321 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.512 -4.717 1.258 1.00 0.00 C ATOM 1105 CD1 ILE A 71 8.966 -3.269 2.306 1.00 0.00 C ATOM 0 H ILE A 71 9.503 -7.703 0.530 1.00 0.00 H new ATOM 0 HA ILE A 71 7.307 -7.083 2.440 1.00 0.00 H new ATOM 0 HB ILE A 71 8.323 -5.206 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.511 -5.130 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.852 -5.236 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.630 -3.646 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.890 -5.140 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.036 -4.885 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.649 -2.945 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.344 -2.940 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.982 -2.833 2.479 1.00 0.00 H new ATOM 1117 N GLN A 72 5.631 -7.760 0.582 1.00 0.00 N ATOM 1118 CA GLN A 72 4.800 -8.459 -0.400 1.00 0.00 C ATOM 1119 C GLN A 72 3.865 -7.482 -1.074 1.00 0.00 C ATOM 1120 O GLN A 72 2.656 -7.647 -1.042 1.00 0.00 O ATOM 1121 CB GLN A 72 4.112 -9.719 0.199 1.00 0.00 C ATOM 1122 CG GLN A 72 3.174 -9.426 1.400 1.00 0.00 C ATOM 1123 CD GLN A 72 2.569 -10.702 1.940 1.00 0.00 C ATOM 1124 OE1 GLN A 72 2.857 -11.064 3.071 1.00 0.00 O ATOM 1125 NE2 GLN A 72 1.724 -11.410 1.159 1.00 0.00 N ATOM 0 H GLN A 72 5.123 -7.420 1.399 1.00 0.00 H new ATOM 0 HA GLN A 72 5.437 -8.864 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.536 -10.211 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.882 -10.422 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.734 -8.923 2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.381 -8.747 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.503 -11.082 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.307 -12.272 1.510 1.00 0.00 H new ATOM 1134 N THR A 73 4.451 -6.454 -1.730 1.00 0.00 N ATOM 1135 CA THR A 73 3.660 -5.534 -2.549 1.00 0.00 C ATOM 1136 C THR A 73 2.816 -6.302 -3.546 1.00 0.00 C ATOM 1137 O THR A 73 3.005 -7.499 -3.692 1.00 0.00 O ATOM 1138 CB THR A 73 4.542 -4.484 -3.289 1.00 0.00 C ATOM 1139 OG1 THR A 73 3.721 -3.550 -4.013 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.525 -5.148 -4.289 1.00 0.00 C ATOM 0 H THR A 73 5.450 -6.251 -1.704 1.00 0.00 H new ATOM 0 HA THR A 73 3.008 -4.986 -1.869 1.00 0.00 H new ATOM 0 HB THR A 73 5.117 -3.967 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.077 -2.644 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.119 -4.378 -4.781 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.186 -5.828 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.962 -5.705 -5.037 1.00 0.00 H new ATOM 1148 N MET A 74 1.872 -5.635 -4.249 1.00 0.00 N ATOM 1149 CA MET A 74 1.018 -6.348 -5.198 1.00 0.00 C ATOM 1150 C MET A 74 1.876 -6.993 -6.261 1.00 0.00 C ATOM 1151 O MET A 74 2.931 -6.459 -6.565 1.00 0.00 O ATOM 1152 CB MET A 74 -0.037 -5.421 -5.862 1.00 0.00 C ATOM 1153 CG MET A 74 -1.111 -4.928 -4.855 1.00 0.00 C ATOM 1154 SD MET A 74 -2.242 -6.304 -4.449 1.00 0.00 S ATOM 1155 CE MET A 74 -1.850 -6.651 -2.706 1.00 0.00 C ATOM 0 H MET A 74 1.693 -4.634 -4.174 1.00 0.00 H new ATOM 0 HA MET A 74 0.471 -7.108 -4.640 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.466 -4.560 -6.303 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.525 -5.956 -6.676 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.632 -4.557 -3.949 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.671 -4.097 -5.283 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.475 -7.469 -2.349 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.800 -6.931 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.040 -5.761 -2.106 1.00 0.00 H new ATOM 1165 N GLY A 75 1.436 -8.148 -6.815 1.00 0.00 N ATOM 1166 CA GLY A 75 2.253 -8.890 -7.763 1.00 0.00 C ATOM 1167 C GLY A 75 2.091 -10.368 -7.497 1.00 0.00 C ATOM 1168 O GLY A 75 1.286 -10.741 -6.659 1.00 0.00 O ATOM 0 H GLY A 75 0.529 -8.570 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.952 -8.656 -8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.300 -8.602 -7.665 1.00 0.00 H new ATOM 1172 N GLY A 76 2.850 -11.218 -8.220 1.00 0.00 N ATOM 1173 CA GLY A 76 2.706 -12.665 -8.068 1.00 0.00 C ATOM 1174 C GLY A 76 3.500 -13.243 -6.919 1.00 0.00 C ATOM 1175 O GLY A 76 3.174 -14.348 -6.514 1.00 0.00 O ATOM 0 H GLY A 76 3.553 -10.927 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.652 -12.902 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.018 -13.150 -8.993 1.00 0.00 H new ATOM 1179 N LYS A 77 4.549 -12.556 -6.404 1.00 0.00 N ATOM 1180 CA LYS A 77 5.435 -13.168 -5.409 1.00 0.00 C ATOM 1181 C LYS A 77 5.828 -12.178 -4.337 1.00 0.00 C ATOM 1182 O LYS A 77 5.475 -11.018 -4.459 1.00 0.00 O ATOM 1183 CB LYS A 77 6.703 -13.676 -6.152 1.00 0.00 C ATOM 1184 CG LYS A 77 6.380 -14.885 -7.073 1.00 0.00 C ATOM 1185 CD LYS A 77 7.638 -15.533 -7.722 1.00 0.00 C ATOM 1186 CE LYS A 77 8.554 -16.274 -6.705 1.00 0.00 C ATOM 1187 NZ LYS A 77 9.607 -17.058 -7.392 1.00 0.00 N ATOM 0 H LYS A 77 4.791 -11.599 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 77 4.916 -13.990 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.125 -12.867 -6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.461 -13.965 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.852 -15.641 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.703 -14.558 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.318 -16.237 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.218 -14.758 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.017 -15.549 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.950 -16.938 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.199 -17.539 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.164 -17.766 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.198 -16.420 -7.962 1.00 0.00 H new ATOM 1201 N THR A 78 6.560 -12.614 -3.283 1.00 0.00 N ATOM 1202 CA THR A 78 7.080 -11.667 -2.295 1.00 0.00 C ATOM 1203 C THR A 78 8.285 -10.976 -2.901 1.00 0.00 C ATOM 1204 O THR A 78 8.902 -11.553 -3.782 1.00 0.00 O ATOM 1205 CB THR A 78 7.415 -12.386 -0.953 1.00 0.00 C ATOM 1206 OG1 THR A 78 6.208 -12.885 -0.347 1.00 0.00 O ATOM 1207 CG2 THR A 78 8.093 -11.458 0.087 1.00 0.00 C ATOM 0 H THR A 78 6.793 -13.591 -3.106 1.00 0.00 H new ATOM 0 HA THR A 78 6.328 -10.918 -2.049 1.00 0.00 H new ATOM 0 HB THR A 78 8.107 -13.187 -1.212 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.427 -13.337 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.299 -12.021 0.997 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.028 -11.075 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.430 -10.625 0.318 1.00 0.00 H new ATOM 1215 N PHE A 79 8.622 -9.745 -2.447 1.00 0.00 N ATOM 1216 CA PHE A 79 9.756 -8.995 -2.992 1.00 0.00 C ATOM 1217 C PHE A 79 10.607 -8.480 -1.858 1.00 0.00 C ATOM 1218 O PHE A 79 10.314 -8.801 -0.717 1.00 0.00 O ATOM 1219 CB PHE A 79 9.177 -7.786 -3.767 1.00 0.00 C ATOM 1220 CG PHE A 79 8.155 -8.285 -4.789 1.00 0.00 C ATOM 1221 CD1 PHE A 79 8.596 -8.737 -6.037 1.00 0.00 C ATOM 1222 CD2 PHE A 79 6.789 -8.291 -4.488 1.00 0.00 C ATOM 1223 CE1 PHE A 79 7.669 -9.136 -7.002 1.00 0.00 C ATOM 1224 CE2 PHE A 79 5.857 -8.610 -5.478 1.00 0.00 C ATOM 1225 CZ PHE A 79 6.303 -9.053 -6.724 1.00 0.00 C ATOM 0 H PHE A 79 8.119 -9.259 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 79 10.362 -9.629 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.706 -7.088 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.978 -7.245 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.653 -8.777 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.455 -8.049 -3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.007 -9.507 -7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.799 -8.515 -5.281 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.585 -9.334 -7.480 1.00 0.00 H new ATOM 1235 N LYS A 80 11.644 -7.666 -2.160 1.00 0.00 N ATOM 1236 CA LYS A 80 12.407 -6.990 -1.115 1.00 0.00 C ATOM 1237 C LYS A 80 12.639 -5.557 -1.533 1.00 0.00 C ATOM 1238 O LYS A 80 12.746 -5.315 -2.725 1.00 0.00 O ATOM 1239 CB LYS A 80 13.724 -7.766 -0.869 1.00 0.00 C ATOM 1240 CG LYS A 80 14.562 -7.178 0.298 1.00 0.00 C ATOM 1241 CD LYS A 80 15.884 -7.953 0.566 1.00 0.00 C ATOM 1242 CE LYS A 80 16.929 -7.795 -0.573 1.00 0.00 C ATOM 1243 NZ LYS A 80 18.244 -8.351 -0.179 1.00 0.00 N ATOM 0 H LYS A 80 11.960 -7.470 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 80 11.862 -6.972 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.491 -8.809 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.322 -7.755 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.799 -6.137 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.958 -7.181 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.320 -7.602 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.657 -9.011 0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.572 -8.301 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.039 -6.740 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.840 -8.465 -1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.709 -7.703 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.108 -9.276 0.276 1.00 0.00 H new ATOM 1257 N ALA A 81 12.695 -4.596 -0.581 1.00 0.00 N ATOM 1258 CA ALA A 81 12.769 -3.184 -0.955 1.00 0.00 C ATOM 1259 C ALA A 81 13.261 -2.373 0.220 1.00 0.00 C ATOM 1260 O ALA A 81 13.205 -2.898 1.321 1.00 0.00 O ATOM 1261 CB ALA A 81 11.339 -2.733 -1.317 1.00 0.00 C ATOM 0 H ALA A 81 12.690 -4.776 0.423 1.00 0.00 H new ATOM 0 HA ALA A 81 13.452 -3.041 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.351 -1.681 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.969 -3.331 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.686 -2.867 -0.455 1.00 0.00 H new ATOM 1267 N THR A 82 13.735 -1.120 0.011 1.00 0.00 N ATOM 1268 CA THR A 82 14.268 -0.332 1.121 1.00 0.00 C ATOM 1269 C THR A 82 13.265 0.733 1.487 1.00 0.00 C ATOM 1270 O THR A 82 13.224 1.749 0.811 1.00 0.00 O ATOM 1271 CB THR A 82 15.670 0.251 0.787 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.571 -0.808 0.413 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.290 0.960 2.021 1.00 0.00 C ATOM 0 H THR A 82 13.755 -0.653 -0.896 1.00 0.00 H new ATOM 0 HA THR A 82 14.420 -0.975 1.988 1.00 0.00 H new ATOM 0 HB THR A 82 15.536 0.962 -0.028 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.451 -0.430 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.270 1.358 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.640 1.776 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.396 0.245 2.837 1.00 0.00 H new ATOM 1281 N VAL A 83 12.456 0.522 2.554 1.00 0.00 N ATOM 1282 CA VAL A 83 11.530 1.566 2.979 1.00 0.00 C ATOM 1283 C VAL A 83 12.359 2.624 3.663 1.00 0.00 C ATOM 1284 O VAL A 83 13.339 2.269 4.295 1.00 0.00 O ATOM 1285 CB VAL A 83 10.392 1.047 3.906 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.464 2.191 4.402 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.539 -0.024 3.171 1.00 0.00 C ATOM 0 H VAL A 83 12.434 -0.333 3.110 1.00 0.00 H new ATOM 0 HA VAL A 83 11.009 1.965 2.109 1.00 0.00 H new ATOM 0 HB VAL A 83 10.875 0.605 4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.687 1.777 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.051 2.918 4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.002 2.682 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.748 -0.376 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.095 0.415 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.174 -0.863 2.886 1.00 0.00 H new ATOM 1297 N GLN A 84 11.980 3.914 3.538 1.00 0.00 N ATOM 1298 CA GLN A 84 12.640 4.995 4.259 1.00 0.00 C ATOM 1299 C GLN A 84 11.542 5.937 4.692 1.00 0.00 C ATOM 1300 O GLN A 84 10.391 5.653 4.404 1.00 0.00 O ATOM 1301 CB GLN A 84 13.689 5.689 3.347 1.00 0.00 C ATOM 1302 CG GLN A 84 14.707 4.670 2.782 1.00 0.00 C ATOM 1303 CD GLN A 84 15.721 5.348 1.892 1.00 0.00 C ATOM 1304 OE1 GLN A 84 16.862 5.499 2.299 1.00 0.00 O ATOM 1305 NE2 GLN A 84 15.327 5.768 0.669 1.00 0.00 N ATOM 0 H GLN A 84 11.215 4.221 2.938 1.00 0.00 H new ATOM 0 HA GLN A 84 13.192 4.636 5.128 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.182 6.193 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.216 6.456 3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.218 4.169 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.180 3.901 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.364 5.623 0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.993 6.230 0.049 1.00 0.00 H new ATOM 1314 N MET A 85 11.878 7.047 5.377 1.00 0.00 N ATOM 1315 CA MET A 85 10.864 7.963 5.902 1.00 0.00 C ATOM 1316 C MET A 85 11.288 9.377 5.598 1.00 0.00 C ATOM 1317 O MET A 85 12.414 9.585 5.174 1.00 0.00 O ATOM 1318 CB MET A 85 10.693 7.853 7.446 1.00 0.00 C ATOM 1319 CG MET A 85 9.446 7.012 7.815 1.00 0.00 C ATOM 1320 SD MET A 85 9.002 7.256 9.562 1.00 0.00 S ATOM 1321 CE MET A 85 7.746 8.550 9.295 1.00 0.00 C ATOM 0 H MET A 85 12.839 7.324 5.575 1.00 0.00 H new ATOM 0 HA MET A 85 9.918 7.698 5.430 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.583 7.398 7.881 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.602 8.850 7.876 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.608 7.296 7.178 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.645 5.957 7.629 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.381 8.907 10.258 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.190 9.380 8.745 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.915 8.138 8.723 1.00 0.00 H new ATOM 1331 N GLU A 86 10.388 10.351 5.860 1.00 0.00 N ATOM 1332 CA GLU A 86 10.798 11.754 5.795 1.00 0.00 C ATOM 1333 C GLU A 86 9.896 12.624 6.649 1.00 0.00 C ATOM 1334 O GLU A 86 9.201 13.481 6.127 1.00 0.00 O ATOM 1335 CB GLU A 86 10.993 12.248 4.332 1.00 0.00 C ATOM 1336 CG GLU A 86 9.742 12.051 3.442 1.00 0.00 C ATOM 1337 CD GLU A 86 10.021 12.470 2.019 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.508 13.616 1.821 1.00 0.00 O ATOM 1339 OE2 GLU A 86 9.755 11.667 1.085 1.00 0.00 O ATOM 0 H GLU A 86 9.411 10.193 6.109 1.00 0.00 H new ATOM 0 HA GLU A 86 11.791 11.844 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.256 13.306 4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.834 11.716 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.436 11.005 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.912 12.634 3.841 1.00 0.00 H new ATOM 1346 N GLY A 87 9.923 12.418 7.989 1.00 0.00 N ATOM 1347 CA GLY A 87 9.156 13.265 8.902 1.00 0.00 C ATOM 1348 C GLY A 87 7.867 12.562 9.248 1.00 0.00 C ATOM 1349 O GLY A 87 7.931 11.612 10.012 1.00 0.00 O ATOM 0 H GLY A 87 10.462 11.682 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.732 13.464 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.948 14.229 8.438 1.00 0.00 H new ATOM 1353 N GLY A 88 6.708 12.993 8.693 1.00 0.00 N ATOM 1354 CA GLY A 88 5.454 12.266 8.896 1.00 0.00 C ATOM 1355 C GLY A 88 5.007 11.738 7.556 1.00 0.00 C ATOM 1356 O GLY A 88 3.831 11.828 7.238 1.00 0.00 O ATOM 0 H GLY A 88 6.626 13.828 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.597 11.447 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.695 12.924 9.320 1.00 0.00 H new ATOM 1360 N LYS A 89 5.955 11.186 6.762 1.00 0.00 N ATOM 1361 CA LYS A 89 5.637 10.749 5.404 1.00 0.00 C ATOM 1362 C LYS A 89 6.567 9.610 5.057 1.00 0.00 C ATOM 1363 O LYS A 89 7.644 9.564 5.629 1.00 0.00 O ATOM 1364 CB LYS A 89 5.706 12.005 4.492 1.00 0.00 C ATOM 1365 CG LYS A 89 5.347 11.757 3.001 1.00 0.00 C ATOM 1366 CD LYS A 89 6.547 11.294 2.132 1.00 0.00 C ATOM 1367 CE LYS A 89 6.098 10.794 0.733 1.00 0.00 C ATOM 1368 NZ LYS A 89 5.412 11.827 -0.078 1.00 0.00 N ATOM 0 H LYS A 89 6.925 11.039 7.041 1.00 0.00 H new ATOM 0 HA LYS A 89 4.633 10.345 5.275 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.031 12.762 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.714 12.417 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.561 11.004 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.938 12.675 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.248 12.120 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.080 10.495 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.971 10.437 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.431 9.941 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.141 11.423 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.560 12.152 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.053 12.632 -0.229 1.00 0.00 H new ATOM 1382 N LEU A 90 6.153 8.672 4.171 1.00 0.00 N ATOM 1383 CA LEU A 90 6.864 7.404 4.029 1.00 0.00 C ATOM 1384 C LEU A 90 7.344 7.181 2.617 1.00 0.00 C ATOM 1385 O LEU A 90 6.720 7.710 1.712 1.00 0.00 O ATOM 1386 CB LEU A 90 5.867 6.308 4.449 1.00 0.00 C ATOM 1387 CG LEU A 90 6.491 4.909 4.673 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.420 4.906 5.915 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.358 3.889 4.902 1.00 0.00 C ATOM 0 H LEU A 90 5.344 8.777 3.559 1.00 0.00 H new ATOM 0 HA LEU A 90 7.759 7.395 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.372 6.620 5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.095 6.227 3.684 1.00 0.00 H new ATOM 0 HG LEU A 90 7.080 4.647 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.845 3.911 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.224 5.627 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.845 5.177 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.786 2.899 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.779 4.179 5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.707 3.866 4.028 1.00 0.00 H new ATOM 1401 N VAL A 91 8.445 6.410 2.427 1.00 0.00 N ATOM 1402 CA VAL A 91 9.039 6.254 1.103 1.00 0.00 C ATOM 1403 C VAL A 91 9.468 4.825 0.882 1.00 0.00 C ATOM 1404 O VAL A 91 9.873 4.217 1.855 1.00 0.00 O ATOM 1405 CB VAL A 91 10.293 7.169 1.022 1.00 0.00 C ATOM 1406 CG1 VAL A 91 10.920 7.160 -0.399 1.00 0.00 C ATOM 1407 CG2 VAL A 91 9.978 8.618 1.487 1.00 0.00 C ATOM 0 H VAL A 91 8.923 5.900 3.170 1.00 0.00 H new ATOM 0 HA VAL A 91 8.305 6.524 0.343 1.00 0.00 H new ATOM 0 HB VAL A 91 11.032 6.757 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.794 7.811 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.219 6.144 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.187 7.518 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.879 9.227 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.202 9.043 0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.632 8.601 2.520 1.00 0.00 H new ATOM 1417 N VAL A 92 9.425 4.273 -0.353 1.00 0.00 N ATOM 1418 CA VAL A 92 10.029 2.968 -0.610 1.00 0.00 C ATOM 1419 C VAL A 92 10.328 2.806 -2.083 1.00 0.00 C ATOM 1420 O VAL A 92 9.728 3.504 -2.886 1.00 0.00 O ATOM 1421 CB VAL A 92 9.102 1.832 -0.091 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.733 1.867 -0.799 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.699 0.409 -0.256 1.00 0.00 C ATOM 0 H VAL A 92 8.986 4.709 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 92 10.973 2.903 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 92 8.992 2.026 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.105 1.062 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.250 2.825 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.875 1.738 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.994 -0.328 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.888 0.214 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.635 0.340 0.299 1.00 0.00 H new ATOM 1433 N ASN A 93 11.251 1.883 -2.438 1.00 0.00 N ATOM 1434 CA ASN A 93 11.545 1.608 -3.840 1.00 0.00 C ATOM 1435 C ASN A 93 11.933 0.151 -3.982 1.00 0.00 C ATOM 1436 O ASN A 93 12.649 -0.333 -3.120 1.00 0.00 O ATOM 1437 CB ASN A 93 12.667 2.537 -4.357 1.00 0.00 C ATOM 1438 CG ASN A 93 13.910 2.377 -3.514 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.814 1.668 -3.927 1.00 0.00 O ATOM 1440 ND2 ASN A 93 13.984 3.015 -2.323 1.00 0.00 N ATOM 0 H ASN A 93 11.792 1.329 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 93 10.659 1.804 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.892 2.302 -5.397 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.332 3.574 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 93 14.814 2.911 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 93 13.210 3.600 -2.009 1.00 0.00 H new ATOM 1447 N PHE A 94 11.465 -0.549 -5.043 1.00 0.00 N ATOM 1448 CA PHE A 94 11.678 -1.993 -5.183 1.00 0.00 C ATOM 1449 C PHE A 94 12.469 -2.190 -6.453 1.00 0.00 C ATOM 1450 O PHE A 94 12.476 -1.253 -7.236 1.00 0.00 O ATOM 1451 CB PHE A 94 10.307 -2.680 -5.461 1.00 0.00 C ATOM 1452 CG PHE A 94 9.318 -2.612 -4.291 1.00 0.00 C ATOM 1453 CD1 PHE A 94 8.782 -1.384 -3.891 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.934 -3.778 -3.618 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.922 -1.317 -2.794 1.00 0.00 C ATOM 1456 CE2 PHE A 94 8.080 -3.710 -2.514 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.589 -2.474 -2.090 1.00 0.00 C ATOM 0 H PHE A 94 10.939 -0.129 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 94 12.161 -2.392 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.851 -2.214 -6.334 1.00 0.00 H new ATOM 0 HB3 PHE A 94 10.482 -3.726 -5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 94 9.034 -0.484 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.300 -4.737 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.513 -0.365 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.800 -4.612 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.953 -2.414 -1.219 1.00 0.00 H new ATOM 1467 N PRO A 95 13.099 -3.351 -6.762 1.00 0.00 N ATOM 1468 CA PRO A 95 13.587 -3.560 -8.119 1.00 0.00 C ATOM 1469 C PRO A 95 12.401 -3.897 -9.002 1.00 0.00 C ATOM 1470 O PRO A 95 12.346 -5.003 -9.514 1.00 0.00 O ATOM 1471 CB PRO A 95 14.543 -4.751 -7.853 1.00 0.00 C ATOM 1472 CG PRO A 95 13.833 -5.535 -6.724 1.00 0.00 C ATOM 1473 CD PRO A 95 13.307 -4.419 -5.791 1.00 0.00 C ATOM 0 HA PRO A 95 14.077 -2.730 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.679 -5.364 -8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.532 -4.411 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.021 -6.151 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.520 -6.203 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.387 -4.703 -5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.028 -4.146 -5.020 1.00 0.00 H new ATOM 1481 N ASN A 96 11.444 -2.953 -9.185 1.00 0.00 N ATOM 1482 CA ASN A 96 10.239 -3.209 -9.981 1.00 0.00 C ATOM 1483 C ASN A 96 9.404 -1.935 -9.999 1.00 0.00 C ATOM 1484 O ASN A 96 9.513 -1.197 -10.965 1.00 0.00 O ATOM 1485 CB ASN A 96 9.413 -4.426 -9.459 1.00 0.00 C ATOM 1486 CG ASN A 96 9.796 -5.786 -10.000 1.00 0.00 C ATOM 1487 OD1 ASN A 96 10.389 -5.873 -11.065 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.451 -6.882 -9.288 1.00 0.00 N ATOM 0 H ASN A 96 11.492 -2.014 -8.790 1.00 0.00 H new ATOM 0 HA ASN A 96 10.538 -3.479 -10.994 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.498 -4.455 -8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.363 -4.250 -9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.685 -7.811 -9.637 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.956 -6.780 -8.402 1.00 0.00 H new ATOM 1495 N TYR A 97 8.593 -1.660 -8.946 1.00 0.00 N ATOM 1496 CA TYR A 97 7.775 -0.445 -8.867 1.00 0.00 C ATOM 1497 C TYR A 97 8.303 0.443 -7.761 1.00 0.00 C ATOM 1498 O TYR A 97 9.334 0.130 -7.188 1.00 0.00 O ATOM 1499 CB TYR A 97 6.276 -0.822 -8.654 1.00 0.00 C ATOM 1500 CG TYR A 97 5.742 -0.779 -7.208 1.00 0.00 C ATOM 1501 CD1 TYR A 97 6.223 -1.631 -6.209 1.00 0.00 C ATOM 1502 CD2 TYR A 97 4.721 0.117 -6.866 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.660 -1.603 -4.931 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.064 0.042 -5.637 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.586 -0.764 -4.627 1.00 0.00 C ATOM 1506 OH TYR A 97 4.030 -0.720 -3.345 1.00 0.00 O ATOM 0 H TYR A 97 8.495 -2.276 -8.139 1.00 0.00 H new ATOM 0 HA TYR A 97 7.837 0.111 -9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.668 -0.150 -9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.121 -1.829 -9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.032 -2.313 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.435 0.884 -7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.064 -2.244 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.157 0.605 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 97 3.292 -0.075 -3.330 1.00 0.00 H new ATOM 1516 N HIS A 98 7.600 1.555 -7.452 1.00 0.00 N ATOM 1517 CA HIS A 98 7.994 2.448 -6.362 1.00 0.00 C ATOM 1518 C HIS A 98 6.746 2.849 -5.617 1.00 0.00 C ATOM 1519 O HIS A 98 5.676 2.753 -6.194 1.00 0.00 O ATOM 1520 CB HIS A 98 8.712 3.691 -6.950 1.00 0.00 C ATOM 1521 CG HIS A 98 8.689 4.919 -6.067 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.609 5.605 -5.761 1.00 0.00 N ATOM 1523 CD2 HIS A 98 9.759 5.495 -5.485 1.00 0.00 C ATOM 1524 CE1 HIS A 98 7.926 6.616 -5.019 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.160 6.612 -4.812 1.00 0.00 N ATOM 0 H HIS A 98 6.758 1.848 -7.948 1.00 0.00 H new ATOM 0 HA HIS A 98 8.683 1.952 -5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.750 3.429 -7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.251 3.940 -7.906 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.796 5.195 -5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.232 7.350 -4.637 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.664 7.298 -4.250 1.00 0.00 H new ATOM 1533 N GLN A 99 6.860 3.312 -4.350 1.00 0.00 N ATOM 1534 CA GLN A 99 5.666 3.703 -3.604 1.00 0.00 C ATOM 1535 C GLN A 99 6.036 4.709 -2.538 1.00 0.00 C ATOM 1536 O GLN A 99 7.161 4.672 -2.070 1.00 0.00 O ATOM 1537 CB GLN A 99 4.965 2.399 -3.118 1.00 0.00 C ATOM 1538 CG GLN A 99 3.871 2.526 -2.019 1.00 0.00 C ATOM 1539 CD GLN A 99 4.374 2.143 -0.645 1.00 0.00 C ATOM 1540 OE1 GLN A 99 4.340 0.965 -0.321 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.847 3.092 0.189 1.00 0.00 N ATOM 0 H GLN A 99 7.741 3.418 -3.846 1.00 0.00 H new ATOM 0 HA GLN A 99 4.931 4.230 -4.212 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.513 1.919 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.736 1.724 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.505 3.552 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.024 1.892 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.864 4.068 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.187 2.833 1.115 1.00 0.00 H new ATOM 1550 N THR A 100 5.109 5.625 -2.173 1.00 0.00 N ATOM 1551 CA THR A 100 5.390 6.641 -1.159 1.00 0.00 C ATOM 1552 C THR A 100 4.081 6.888 -0.439 1.00 0.00 C ATOM 1553 O THR A 100 3.207 7.470 -1.064 1.00 0.00 O ATOM 1554 CB THR A 100 5.867 7.946 -1.865 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.297 8.033 -3.179 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.410 8.045 -1.990 1.00 0.00 C ATOM 0 H THR A 100 4.170 5.673 -2.568 1.00 0.00 H new ATOM 0 HA THR A 100 6.168 6.324 -0.464 1.00 0.00 H new ATOM 0 HB THR A 100 5.530 8.770 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.322 7.952 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.675 8.976 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.857 8.027 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.783 7.202 -2.571 1.00 0.00 H new ATOM 1564 N SER A 101 3.909 6.460 0.837 1.00 0.00 N ATOM 1565 CA SER A 101 2.637 6.689 1.525 1.00 0.00 C ATOM 1566 C SER A 101 2.726 7.994 2.274 1.00 0.00 C ATOM 1567 O SER A 101 3.835 8.453 2.497 1.00 0.00 O ATOM 1568 CB SER A 101 2.205 5.534 2.465 1.00 0.00 C ATOM 1569 OG SER A 101 1.890 4.342 1.727 1.00 0.00 O ATOM 0 H SER A 101 4.616 5.971 1.386 1.00 0.00 H new ATOM 0 HA SER A 101 1.857 6.732 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.005 5.323 3.174 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.336 5.843 3.047 1.00 0.00 H new ATOM 0 HG SER A 101 1.623 3.633 2.349 1.00 0.00 H new ATOM 1575 N GLU A 102 1.579 8.600 2.664 1.00 0.00 N ATOM 1576 CA GLU A 102 1.622 9.870 3.384 1.00 0.00 C ATOM 1577 C GLU A 102 0.447 9.947 4.334 1.00 0.00 C ATOM 1578 O GLU A 102 -0.676 9.875 3.859 1.00 0.00 O ATOM 1579 CB GLU A 102 1.600 11.049 2.377 1.00 0.00 C ATOM 1580 CG GLU A 102 1.654 12.421 3.099 1.00 0.00 C ATOM 1581 CD GLU A 102 1.633 13.534 2.083 1.00 0.00 C ATOM 1582 OE1 GLU A 102 2.716 13.841 1.514 1.00 0.00 O ATOM 1583 OE2 GLU A 102 0.536 14.107 1.843 1.00 0.00 O ATOM 0 H GLU A 102 0.643 8.233 2.493 1.00 0.00 H new ATOM 0 HA GLU A 102 2.544 9.936 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.447 10.962 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.696 10.992 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.806 12.519 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.557 12.487 3.706 1.00 0.00 H new ATOM 1590 N ILE A 103 0.682 10.099 5.660 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.420 10.297 6.602 1.00 0.00 C ATOM 1592 C ILE A 103 -0.726 11.774 6.635 1.00 0.00 C ATOM 1593 O ILE A 103 0.191 12.558 6.449 1.00 0.00 O ATOM 1594 CB ILE A 103 -0.076 9.736 8.014 1.00 0.00 C ATOM 1595 CG1 ILE A 103 -0.217 8.189 8.032 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -0.864 10.412 9.173 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.647 7.670 8.317 1.00 0.00 C ATOM 0 H ILE A 103 1.609 10.087 6.084 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.301 9.744 6.277 1.00 0.00 H new ATOM 0 HB ILE A 103 0.966 9.992 8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.111 7.797 7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.458 7.786 8.787 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.568 9.966 10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.643 11.479 9.189 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.933 10.265 9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.647 6.580 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.975 8.026 9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.327 8.038 7.549 1.00 0.00 H new ATOM 1609 N VAL A 104 -2.006 12.156 6.861 1.00 0.00 N ATOM 1610 CA VAL A 104 -2.385 13.568 6.850 1.00 0.00 C ATOM 1611 C VAL A 104 -3.320 13.783 8.022 1.00 0.00 C ATOM 1612 O VAL A 104 -4.520 13.893 7.827 1.00 0.00 O ATOM 1613 CB VAL A 104 -3.020 13.914 5.470 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -3.377 15.423 5.368 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -2.086 13.516 4.293 1.00 0.00 C ATOM 0 H VAL A 104 -2.773 11.510 7.049 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.533 14.238 6.966 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.939 13.332 5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.818 15.628 4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.091 15.682 6.150 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.473 16.020 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.563 13.773 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.141 14.053 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.898 12.443 4.325 1.00 0.00 H new ATOM 1625 N GLY A 105 -2.775 13.836 9.260 1.00 0.00 N ATOM 1626 CA GLY A 105 -3.616 14.061 10.434 1.00 0.00 C ATOM 1627 C GLY A 105 -4.429 12.823 10.729 1.00 0.00 C ATOM 1628 O GLY A 105 -4.037 12.053 11.591 1.00 0.00 O ATOM 0 H GLY A 105 -1.780 13.728 9.458 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.995 14.312 11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.279 14.909 10.260 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.560 12.625 10.012 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.424 11.471 10.258 1.00 0.00 C ATOM 1634 C ASP A 106 -6.869 10.938 8.917 1.00 0.00 C ATOM 1635 O ASP A 106 -8.055 10.921 8.624 1.00 0.00 O ATOM 1636 CB ASP A 106 -7.603 11.912 11.161 1.00 0.00 C ATOM 1637 CG ASP A 106 -7.060 12.415 12.474 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -6.849 11.576 13.392 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -6.836 13.649 12.597 1.00 0.00 O ATOM 0 H ASP A 106 -5.883 13.246 9.270 1.00 0.00 H new ATOM 0 HA ASP A 106 -5.907 10.669 10.785 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.181 12.694 10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.280 11.075 11.331 1.00 0.00 H new ATOM 1644 N LYS A 107 -5.889 10.506 8.093 1.00 0.00 N ATOM 1645 CA LYS A 107 -6.197 10.008 6.751 1.00 0.00 C ATOM 1646 C LYS A 107 -4.930 9.388 6.197 1.00 0.00 C ATOM 1647 O LYS A 107 -3.888 9.989 6.398 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.631 11.209 5.866 1.00 0.00 C ATOM 1649 CG LYS A 107 -7.069 10.797 4.435 1.00 0.00 C ATOM 1650 CD LYS A 107 -7.391 12.023 3.531 1.00 0.00 C ATOM 1651 CE LYS A 107 -6.197 12.998 3.335 1.00 0.00 C ATOM 1652 NZ LYS A 107 -6.401 13.887 2.168 1.00 0.00 N ATOM 0 H LYS A 107 -4.898 10.495 8.335 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.000 9.271 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.455 11.730 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.804 11.915 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.278 10.207 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.948 10.156 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.718 11.665 2.555 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.227 12.572 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.069 13.601 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.279 12.426 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.584 14.523 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.499 13.312 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.264 14.451 2.308 1.00 0.00 H new ATOM 1666 N LEU A 108 -4.989 8.218 5.520 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.790 7.593 4.956 1.00 0.00 C ATOM 1668 C LEU A 108 -3.965 7.674 3.462 1.00 0.00 C ATOM 1669 O LEU A 108 -5.069 7.396 3.023 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.675 6.107 5.416 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.743 5.212 4.542 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -1.246 5.535 4.805 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -3.011 3.701 4.801 1.00 0.00 C ATOM 0 H LEU A 108 -5.851 7.698 5.357 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.879 8.093 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.311 6.088 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.672 5.667 5.423 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.969 5.432 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.621 4.896 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.051 6.580 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.014 5.357 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.347 3.102 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.827 3.474 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.047 3.468 4.556 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.922 8.026 2.671 1.00 0.00 N ATOM 1686 CA VAL A 109 -3.054 7.970 1.215 1.00 0.00 C ATOM 1687 C VAL A 109 -1.823 7.310 0.651 1.00 0.00 C ATOM 1688 O VAL A 109 -0.899 7.054 1.407 1.00 0.00 O ATOM 1689 CB VAL A 109 -3.319 9.371 0.581 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -4.212 10.229 1.513 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.005 10.130 0.265 1.00 0.00 C ATOM 0 H VAL A 109 -2.014 8.340 3.012 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.932 7.377 0.960 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.837 9.200 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.386 11.203 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.166 9.725 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.713 10.364 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.241 11.099 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.439 10.277 1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.409 9.548 -0.438 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.803 7.038 -0.674 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.634 6.407 -1.272 1.00 0.00 C ATOM 1703 C GLU A 110 -0.458 6.850 -2.703 1.00 0.00 C ATOM 1704 O GLU A 110 -1.454 7.241 -3.286 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.774 4.873 -1.084 1.00 0.00 C ATOM 1706 CG GLU A 110 0.414 4.063 -1.667 1.00 0.00 C ATOM 1707 CD GLU A 110 0.432 3.987 -3.176 1.00 0.00 C ATOM 1708 OE1 GLU A 110 -0.621 4.238 -3.822 1.00 0.00 O ATOM 1709 OE2 GLU A 110 1.512 3.663 -3.735 1.00 0.00 O ATOM 0 H GLU A 110 -2.564 7.243 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 110 0.286 6.717 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.865 4.653 -0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.697 4.540 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.347 4.512 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 110 0.381 3.051 -1.264 1.00 0.00 H new ATOM 1716 N VAL A 111 0.779 6.809 -3.260 1.00 0.00 N ATOM 1717 CA VAL A 111 0.998 7.153 -4.665 1.00 0.00 C ATOM 1718 C VAL A 111 2.005 6.156 -5.212 1.00 0.00 C ATOM 1719 O VAL A 111 3.160 6.226 -4.824 1.00 0.00 O ATOM 1720 CB VAL A 111 1.524 8.610 -4.808 1.00 0.00 C ATOM 1721 CG1 VAL A 111 1.767 8.965 -6.299 1.00 0.00 C ATOM 1722 CG2 VAL A 111 0.549 9.629 -4.161 1.00 0.00 C ATOM 0 H VAL A 111 1.624 6.543 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 111 0.063 7.103 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 111 2.474 8.670 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.134 9.988 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.505 8.283 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.832 8.874 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.946 10.637 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.423 9.563 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.438 9.404 -3.100 1.00 0.00 H new ATOM 1732 N SER A 112 1.592 5.216 -6.094 1.00 0.00 N ATOM 1733 CA SER A 112 2.515 4.207 -6.620 1.00 0.00 C ATOM 1734 C SER A 112 3.311 4.784 -7.764 1.00 0.00 C ATOM 1735 O SER A 112 2.986 5.882 -8.183 1.00 0.00 O ATOM 1736 CB SER A 112 1.734 3.016 -7.239 1.00 0.00 C ATOM 1737 OG SER A 112 1.411 3.386 -8.590 1.00 0.00 O ATOM 0 H SER A 112 0.638 5.143 -6.447 1.00 0.00 H new ATOM 0 HA SER A 112 3.145 3.890 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.337 2.108 -7.221 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.829 2.809 -6.668 1.00 0.00 H new ATOM 0 HG SER A 112 1.687 2.670 -9.200 1.00 0.00 H new ATOM 1743 N THR A 113 4.298 4.046 -8.324 1.00 0.00 N ATOM 1744 CA THR A 113 4.935 4.487 -9.565 1.00 0.00 C ATOM 1745 C THR A 113 5.661 3.333 -10.222 1.00 0.00 C ATOM 1746 O THR A 113 6.024 2.417 -9.503 1.00 0.00 O ATOM 1747 CB THR A 113 5.887 5.686 -9.279 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.186 6.941 -9.215 1.00 0.00 O ATOM 1749 CG2 THR A 113 7.011 5.860 -10.325 1.00 0.00 C ATOM 0 H THR A 113 4.655 3.170 -7.943 1.00 0.00 H new ATOM 0 HA THR A 113 4.170 4.830 -10.262 1.00 0.00 H new ATOM 0 HB THR A 113 6.326 5.432 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.383 6.840 -8.662 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.630 6.715 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.626 4.961 -10.351 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.571 6.027 -11.308 1.00 0.00 H new ATOM 1757 N ILE A 114 5.891 3.351 -11.560 1.00 0.00 N ATOM 1758 CA ILE A 114 6.660 2.277 -12.198 1.00 0.00 C ATOM 1759 C ILE A 114 7.360 2.708 -13.475 1.00 0.00 C ATOM 1760 O ILE A 114 8.558 2.490 -13.577 1.00 0.00 O ATOM 1761 CB ILE A 114 5.792 0.999 -12.400 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.673 -0.198 -12.851 1.00 0.00 C ATOM 1763 CG2 ILE A 114 4.582 1.215 -13.349 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.905 -1.540 -12.840 1.00 0.00 C ATOM 0 H ILE A 114 5.562 4.079 -12.194 1.00 0.00 H new ATOM 0 HA ILE A 114 7.463 2.024 -11.505 1.00 0.00 H new ATOM 0 HB ILE A 114 5.358 0.762 -11.429 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.050 -0.008 -13.856 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.539 -0.274 -12.194 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.023 0.284 -13.443 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.932 1.989 -12.940 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.940 1.524 -14.331 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.569 -2.342 -13.164 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.550 -1.748 -11.831 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.054 -1.478 -13.518 1.00 0.00 H new ATOM 1776 N GLY A 115 6.669 3.310 -14.471 1.00 0.00 N ATOM 1777 CA GLY A 115 7.338 3.676 -15.718 1.00 0.00 C ATOM 1778 C GLY A 115 6.481 4.653 -16.488 1.00 0.00 C ATOM 1779 O GLY A 115 5.911 4.282 -17.502 1.00 0.00 O ATOM 0 H GLY A 115 5.677 3.543 -14.429 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.310 4.120 -15.504 1.00 0.00 H new ATOM 0 HA3 GLY A 115 7.520 2.785 -16.319 1.00 0.00 H new ATOM 1783 N GLY A 116 6.368 5.907 -15.992 1.00 0.00 N ATOM 1784 CA GLY A 116 5.457 6.863 -16.615 1.00 0.00 C ATOM 1785 C GLY A 116 4.018 6.527 -16.294 1.00 0.00 C ATOM 1786 O GLY A 116 3.154 6.914 -17.065 1.00 0.00 O ATOM 0 H GLY A 116 6.884 6.262 -15.187 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.686 7.870 -16.266 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.603 6.859 -17.695 1.00 0.00 H new ATOM 1790 N VAL A 117 3.742 5.828 -15.165 1.00 0.00 N ATOM 1791 CA VAL A 117 2.369 5.485 -14.788 1.00 0.00 C ATOM 1792 C VAL A 117 2.312 5.490 -13.275 1.00 0.00 C ATOM 1793 O VAL A 117 3.332 5.200 -12.670 1.00 0.00 O ATOM 1794 CB VAL A 117 1.921 4.100 -15.348 1.00 0.00 C ATOM 1795 CG1 VAL A 117 0.418 3.827 -15.054 1.00 0.00 C ATOM 1796 CG2 VAL A 117 2.172 3.999 -16.877 1.00 0.00 C ATOM 0 H VAL A 117 4.453 5.498 -14.512 1.00 0.00 H new ATOM 0 HA VAL A 117 1.682 6.214 -15.217 1.00 0.00 H new ATOM 0 HB VAL A 117 2.523 3.347 -14.840 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.139 2.854 -15.458 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.251 3.834 -13.977 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.191 4.601 -15.521 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.849 3.022 -17.235 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.609 4.778 -17.390 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.235 4.126 -17.080 1.00 0.00 H new ATOM 1806 N THR A 118 1.158 5.828 -12.656 1.00 0.00 N ATOM 1807 CA THR A 118 1.075 5.949 -11.198 1.00 0.00 C ATOM 1808 C THR A 118 -0.217 5.301 -10.758 1.00 0.00 C ATOM 1809 O THR A 118 -1.055 5.089 -11.616 1.00 0.00 O ATOM 1810 CB THR A 118 1.104 7.473 -10.869 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.457 7.961 -10.929 1.00 0.00 O ATOM 1812 CG2 THR A 118 0.520 7.848 -9.484 1.00 0.00 C ATOM 0 H THR A 118 0.284 6.019 -13.145 1.00 0.00 H new ATOM 0 HA THR A 118 1.898 5.458 -10.678 1.00 0.00 H new ATOM 0 HB THR A 118 0.466 7.938 -11.621 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.469 8.919 -10.723 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.582 8.927 -9.343 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.523 7.535 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.089 7.346 -8.701 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.404 4.995 -9.455 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.715 4.572 -8.948 1.00 0.00 C ATOM 1822 C TYR A 119 -1.870 5.185 -7.583 1.00 0.00 C ATOM 1823 O TYR A 119 -1.050 4.844 -6.748 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.836 3.037 -8.781 1.00 0.00 C ATOM 1825 CG TYR A 119 -2.984 2.596 -7.870 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.296 2.739 -8.309 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -2.751 2.020 -6.614 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -5.300 2.014 -7.670 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.782 1.363 -5.935 1.00 0.00 C ATOM 1830 CZ TYR A 119 -5.053 1.282 -6.515 1.00 0.00 C ATOM 1831 OH TYR A 119 -6.053 0.477 -5.968 1.00 0.00 O ATOM 0 H TYR A 119 0.330 5.034 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.475 4.887 -9.663 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.972 2.585 -9.764 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.899 2.651 -8.380 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.532 3.400 -9.130 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.770 2.084 -6.168 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.298 2.021 -8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -3.598 0.920 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.630 0.140 -6.685 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.870 6.063 -7.327 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.958 6.718 -6.023 1.00 0.00 C ATOM 1843 C GLU A 120 -4.285 6.419 -5.381 1.00 0.00 C ATOM 1844 O GLU A 120 -5.188 5.995 -6.086 1.00 0.00 O ATOM 1845 CB GLU A 120 -2.631 8.231 -6.123 1.00 0.00 C ATOM 1846 CG GLU A 120 -3.640 9.014 -6.993 1.00 0.00 C ATOM 1847 CD GLU A 120 -3.313 10.485 -6.993 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -2.226 10.850 -7.518 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -4.135 11.288 -6.472 1.00 0.00 O ATOM 0 H GLU A 120 -3.600 6.321 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.195 6.308 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.615 8.660 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.631 8.354 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.621 8.632 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.650 8.861 -6.614 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.403 6.596 -4.041 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.570 6.051 -3.348 1.00 0.00 C ATOM 1858 C ARG A 121 -5.680 6.699 -1.990 1.00 0.00 C ATOM 1859 O ARG A 121 -4.657 7.163 -1.516 1.00 0.00 O ATOM 1860 CB ARG A 121 -5.389 4.510 -3.266 1.00 0.00 C ATOM 1861 CG ARG A 121 -6.696 3.729 -2.968 1.00 0.00 C ATOM 1862 CD ARG A 121 -6.458 2.192 -3.018 1.00 0.00 C ATOM 1863 NE ARG A 121 -7.702 1.424 -3.123 1.00 0.00 N ATOM 1864 CZ ARG A 121 -7.753 0.106 -3.111 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -6.680 -0.645 -3.000 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -8.922 -0.486 -3.207 1.00 0.00 N ATOM 0 H ARG A 121 -3.732 7.090 -3.452 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.500 6.261 -3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.974 4.154 -4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.658 4.282 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -7.074 4.009 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -7.461 4.005 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.819 1.956 -3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.921 1.883 -2.121 1.00 0.00 H new ATOM 0 HE ARG A 121 -8.579 1.938 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.760 -0.212 -2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.767 -1.661 -2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -9.771 0.073 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -8.980 -1.504 -3.199 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.886 6.776 -1.382 1.00 0.00 N ATOM 1881 CA VAL A 122 -7.081 7.639 -0.219 1.00 0.00 C ATOM 1882 C VAL A 122 -7.780 6.830 0.850 1.00 0.00 C ATOM 1883 O VAL A 122 -9.000 6.797 0.884 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.890 8.867 -0.729 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -7.968 9.968 0.357 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -7.275 9.464 -2.028 1.00 0.00 C ATOM 0 H VAL A 122 -7.715 6.260 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 122 -6.159 8.005 0.233 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.895 8.512 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -8.538 10.815 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -8.459 9.569 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.961 10.296 0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.868 10.319 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -6.252 9.785 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.273 8.706 -2.811 1.00 0.00 H new ATOM 1896 N SER A 123 -7.004 6.154 1.728 1.00 0.00 N ATOM 1897 CA SER A 123 -7.601 5.302 2.749 1.00 0.00 C ATOM 1898 C SER A 123 -7.975 6.168 3.935 1.00 0.00 C ATOM 1899 O SER A 123 -7.079 6.549 4.669 1.00 0.00 O ATOM 1900 CB SER A 123 -6.591 4.191 3.133 1.00 0.00 C ATOM 1901 OG SER A 123 -6.244 3.386 1.996 1.00 0.00 O ATOM 0 H SER A 123 -5.985 6.188 1.741 1.00 0.00 H new ATOM 0 HA SER A 123 -8.505 4.815 2.383 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.691 4.643 3.550 1.00 0.00 H new ATOM 0 HB3 SER A 123 -7.020 3.560 3.911 1.00 0.00 H new ATOM 0 HG SER A 123 -6.934 2.705 1.854 1.00 0.00 H new ATOM 1907 N LYS A 124 -9.268 6.509 4.156 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.620 7.405 5.265 1.00 0.00 C ATOM 1909 C LYS A 124 -9.372 6.743 6.600 1.00 0.00 C ATOM 1910 O LYS A 124 -9.170 5.544 6.604 1.00 0.00 O ATOM 1911 CB LYS A 124 -11.102 7.892 5.207 1.00 0.00 C ATOM 1912 CG LYS A 124 -11.282 9.195 4.397 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.122 9.009 2.870 1.00 0.00 C ATOM 1914 CE LYS A 124 -11.206 10.394 2.174 1.00 0.00 C ATOM 1915 NZ LYS A 124 -11.484 10.271 0.725 1.00 0.00 N ATOM 0 H LYS A 124 -10.057 6.185 3.596 1.00 0.00 H new ATOM 0 HA LYS A 124 -8.974 8.277 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.718 7.109 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -11.466 8.049 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -12.271 9.605 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.554 9.930 4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -10.166 8.535 2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.901 8.349 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.989 10.989 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.268 10.930 2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.956 11.002 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.189 9.330 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.503 10.394 0.555 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.395 7.513 7.719 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.031 6.986 9.043 1.00 0.00 C ATOM 1931 C ARG A 125 -10.309 6.792 9.830 1.00 0.00 C ATOM 1932 O ARG A 125 -10.759 7.718 10.486 1.00 0.00 O ATOM 1933 CB ARG A 125 -8.056 7.964 9.757 1.00 0.00 C ATOM 1934 CG ARG A 125 -7.309 7.401 11.005 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.223 7.020 12.205 1.00 0.00 C ATOM 1936 NE ARG A 125 -8.875 5.720 12.036 1.00 0.00 N ATOM 1937 CZ ARG A 125 -9.759 5.225 12.877 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -10.131 5.849 13.971 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -10.291 4.053 12.612 1.00 0.00 N ATOM 0 H ARG A 125 -9.662 8.497 7.722 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.514 6.030 8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.312 8.296 9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -8.618 8.846 10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.745 6.519 10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.585 8.143 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.628 7.006 13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.985 7.789 12.333 1.00 0.00 H new ATOM 0 HE ARG A 125 -8.629 5.164 11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -9.731 6.759 14.200 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.820 5.424 14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -10.017 3.547 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.978 3.649 13.249 1.00 0.00 H new ATOM 1953 N LEU A 126 -10.903 5.581 9.757 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.209 5.308 10.353 1.00 0.00 C ATOM 1955 C LEU A 126 -12.429 3.811 10.267 1.00 0.00 C ATOM 1956 O LEU A 126 -11.439 3.105 10.150 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.312 6.170 9.672 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.717 5.725 8.235 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.583 6.836 7.589 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.477 5.457 7.353 1.00 0.00 C ATOM 0 H LEU A 126 -10.487 4.778 9.285 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.256 5.596 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.201 6.156 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.967 7.203 9.630 1.00 0.00 H new ATOM 0 HG LEU A 126 -14.282 4.796 8.308 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.871 6.533 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.478 6.996 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -14.010 7.762 7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.798 5.149 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.881 6.367 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.876 4.666 7.801 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.673 3.293 10.308 1.00 0.00 N ATOM 1973 CA ALA A 127 -13.866 1.846 10.229 1.00 0.00 C ATOM 1974 C ALA A 127 -15.293 1.508 9.883 1.00 0.00 C ATOM 1975 O ALA A 127 -16.122 2.390 9.730 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.494 1.194 11.584 1.00 0.00 C ATOM 0 H ALA A 127 -14.529 3.841 10.393 1.00 0.00 H new ATOM 0 HA ALA A 127 -13.219 1.458 9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.639 0.116 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -12.450 1.407 11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.130 1.600 12.370 1.00 0.00 H new TER 1982 ALA A 127