USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 974 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 41 ASN : amide:sc= -1.48 K(o=-1.4,f=-11!) USER MOD Set 1.2: A 43 SER OG : rot 70:sc= 0.0328 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.488 K(o=0.64,f=-2.2!) USER MOD Set 2.2: A 19 SER OG : rot -118:sc= 1.12 USER MOD Set 3.1: A 7 TYR OH : rot 12:sc= 0.69 USER MOD Set 3.2: A 27 ASN : amide:sc= -0.0149 X(o=0.68,f=0.6) USER MOD Single : A 1 MET CE :methyl 144:sc= -0.128 (180deg=-0.83) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 161:sc= 0.105 USER MOD Single : A -1 MET CE :methyl -145:sc= -0.165 (180deg=-1.23) USER MOD Single : A -3 GLY N :NH3+ 146:sc= 0.00901 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.464 K(o=-0.46,f=-4.4!) USER MOD Single : A 16 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -59:sc= 0.192 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 31 SER OG : rot -49:sc= 1.08 USER MOD Single : A 32 ASN :FLIP amide:sc= 0.141! F(o=-0.65,f=0.14!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.701 K(o=-0.7,f=-5.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 9:sc= 0.99 USER MOD Single : A 49 THR OG1 : rot -78:sc=-0.00181 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= 0.413 (180deg=0.158) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0197) USER MOD Single : A 67 ASN : amide:sc= -0.0806 X(o=-0.081,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 57:sc= 0.399 USER MOD Single : A 73 SER OG : rot 180:sc= -0.082 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : A 78 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.045) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -35:sc= 0.719 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0203 USER MOD Single : A 104 ASN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.106) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 120 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.0438) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 122.634 13.432 -0.952 1.00 0.00 N ATOM 2 CA GLY A -3 122.095 12.182 -0.343 1.00 0.00 C ATOM 3 C GLY A -3 123.114 11.053 -0.507 1.00 0.00 C ATOM 4 O GLY A -3 123.697 10.883 -1.561 1.00 0.00 O ATOM 0 H1 GLY A -3 121.853 13.982 -1.364 1.00 0.00 H new ATOM 0 H2 GLY A -3 123.108 13.998 -0.220 1.00 0.00 H new ATOM 0 H3 GLY A -3 123.317 13.188 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A -3 121.881 12.343 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A -3 121.154 11.909 -0.820 1.00 0.00 H new ATOM 10 N ALA A -2 123.331 10.283 0.532 1.00 0.00 N ATOM 11 CA ALA A -2 124.310 9.156 0.450 1.00 0.00 C ATOM 12 C ALA A -2 123.571 7.818 0.346 1.00 0.00 C ATOM 13 O ALA A -2 123.947 6.953 -0.422 1.00 0.00 O ATOM 14 CB ALA A -2 125.106 9.229 1.753 1.00 0.00 C ATOM 0 H ALA A -2 122.870 10.388 1.436 1.00 0.00 H new ATOM 0 HA ALA A -2 124.954 9.231 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A -2 125.849 8.432 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A -2 125.608 10.194 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A -2 124.429 9.113 2.600 1.00 0.00 H new ATOM 20 N MET A -1 122.522 7.648 1.118 1.00 0.00 N ATOM 21 CA MET A -1 121.763 6.353 1.096 1.00 0.00 C ATOM 22 C MET A -1 121.111 6.135 -0.273 1.00 0.00 C ATOM 23 O MET A -1 120.994 5.018 -0.741 1.00 0.00 O ATOM 24 CB MET A -1 120.691 6.490 2.181 1.00 0.00 C ATOM 25 CG MET A -1 121.359 6.553 3.557 1.00 0.00 C ATOM 26 SD MET A -1 120.092 6.487 4.848 1.00 0.00 S ATOM 27 CE MET A -1 119.229 8.014 4.405 1.00 0.00 C ATOM 0 H MET A -1 122.158 8.350 1.763 1.00 0.00 H new ATOM 0 HA MET A -1 122.417 5.499 1.276 1.00 0.00 H new ATOM 0 HB2 MET A -1 120.100 7.390 2.011 1.00 0.00 H new ATOM 0 HB3 MET A -1 120.004 5.645 2.137 1.00 0.00 H new ATOM 0 HG2 MET A -1 122.055 5.722 3.673 1.00 0.00 H new ATOM 0 HG3 MET A -1 121.940 7.471 3.649 1.00 0.00 H new ATOM 0 HE1 MET A -1 118.866 8.502 5.309 1.00 0.00 H new ATOM 0 HE2 MET A -1 119.915 8.681 3.883 1.00 0.00 H new ATOM 0 HE3 MET A -1 118.386 7.780 3.755 1.00 0.00 H new ATOM 37 N GLY A 0 120.687 7.198 -0.914 1.00 0.00 N ATOM 38 CA GLY A 0 120.026 7.065 -2.247 1.00 0.00 C ATOM 39 C GLY A 0 118.531 6.803 -2.053 1.00 0.00 C ATOM 40 O GLY A 0 118.021 5.764 -2.430 1.00 0.00 O ATOM 0 H GLY A 0 120.771 8.154 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 0 120.174 7.974 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 0 120.479 6.248 -2.809 1.00 0.00 H new ATOM 44 N MET A 1 117.822 7.746 -1.465 1.00 0.00 N ATOM 45 CA MET A 1 116.343 7.588 -1.231 1.00 0.00 C ATOM 46 C MET A 1 116.035 6.280 -0.489 1.00 0.00 C ATOM 47 O MET A 1 116.926 5.523 -0.147 1.00 0.00 O ATOM 48 CB MET A 1 115.701 7.580 -2.624 1.00 0.00 C ATOM 49 CG MET A 1 115.881 8.951 -3.277 1.00 0.00 C ATOM 50 SD MET A 1 114.962 9.003 -4.836 1.00 0.00 S ATOM 51 CE MET A 1 113.304 9.116 -4.121 1.00 0.00 C ATOM 0 H MET A 1 118.210 8.629 -1.133 1.00 0.00 H new ATOM 0 HA MET A 1 115.954 8.394 -0.609 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.159 6.808 -3.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.641 7.339 -2.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.526 9.734 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.938 9.143 -3.459 1.00 0.00 H new ATOM 0 HE1 MET A 1 112.682 9.759 -4.744 1.00 0.00 H new ATOM 0 HE2 MET A 1 112.861 8.121 -4.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 113.368 9.536 -3.117 1.00 0.00 H new ATOM 61 N SER A 2 114.774 6.014 -0.238 1.00 0.00 N ATOM 62 CA SER A 2 114.389 4.768 0.493 1.00 0.00 C ATOM 63 C SER A 2 113.285 4.026 -0.266 1.00 0.00 C ATOM 64 O SER A 2 112.556 4.613 -1.045 1.00 0.00 O ATOM 65 CB SER A 2 113.877 5.248 1.851 1.00 0.00 C ATOM 66 OG SER A 2 114.898 5.996 2.500 1.00 0.00 O ATOM 0 H SER A 2 113.993 6.611 -0.510 1.00 0.00 H new ATOM 0 HA SER A 2 115.224 4.075 0.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.987 5.863 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 113.588 4.396 2.466 1.00 0.00 H new ATOM 0 HG SER A 2 114.573 6.307 3.371 1.00 0.00 H new ATOM 72 N VAL A 3 113.161 2.740 -0.041 1.00 0.00 N ATOM 73 CA VAL A 3 112.092 1.943 -0.733 1.00 0.00 C ATOM 74 C VAL A 3 110.700 2.402 -0.267 1.00 0.00 C ATOM 75 O VAL A 3 109.730 2.288 -0.993 1.00 0.00 O ATOM 76 CB VAL A 3 112.345 0.476 -0.335 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.309 -0.433 -1.005 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.747 0.052 -0.786 1.00 0.00 C ATOM 0 H VAL A 3 113.754 2.204 0.593 1.00 0.00 H new ATOM 0 HA VAL A 3 112.123 2.073 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 3 112.263 0.386 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.494 -1.468 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.308 -0.142 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.386 -0.336 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.922 -0.986 -0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.826 0.151 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.491 0.689 -0.308 1.00 0.00 H new ATOM 88 N ALA A 4 110.599 2.921 0.936 1.00 0.00 N ATOM 89 CA ALA A 4 109.268 3.374 1.464 1.00 0.00 C ATOM 90 C ALA A 4 108.676 4.478 0.576 1.00 0.00 C ATOM 91 O ALA A 4 107.472 4.647 0.509 1.00 0.00 O ATOM 92 CB ALA A 4 109.549 3.915 2.869 1.00 0.00 C ATOM 0 H ALA A 4 111.382 3.051 1.577 1.00 0.00 H new ATOM 0 HA ALA A 4 108.544 2.559 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 4 108.619 4.265 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.973 3.123 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 4 110.255 4.743 2.806 1.00 0.00 H new ATOM 98 N ASP A 5 109.515 5.229 -0.101 1.00 0.00 N ATOM 99 CA ASP A 5 109.004 6.309 -1.011 1.00 0.00 C ATOM 100 C ASP A 5 108.173 5.701 -2.146 1.00 0.00 C ATOM 101 O ASP A 5 107.161 6.249 -2.545 1.00 0.00 O ATOM 102 CB ASP A 5 110.253 6.995 -1.575 1.00 0.00 C ATOM 103 CG ASP A 5 110.987 7.725 -0.449 1.00 0.00 C ATOM 104 OD1 ASP A 5 111.840 7.111 0.171 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.685 8.886 -0.226 1.00 0.00 O ATOM 0 H ASP A 5 110.531 5.142 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 5 108.360 7.011 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.911 6.256 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.972 7.700 -2.357 1.00 0.00 H new ATOM 110 N PHE A 6 108.596 4.573 -2.665 1.00 0.00 N ATOM 111 CA PHE A 6 107.812 3.896 -3.747 1.00 0.00 C ATOM 112 C PHE A 6 106.616 3.145 -3.147 1.00 0.00 C ATOM 113 O PHE A 6 105.586 3.002 -3.779 1.00 0.00 O ATOM 114 CB PHE A 6 108.787 2.914 -4.401 1.00 0.00 C ATOM 115 CG PHE A 6 109.967 3.588 -5.062 1.00 0.00 C ATOM 116 CD1 PHE A 6 111.150 3.829 -4.321 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.890 3.981 -6.420 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.256 4.462 -4.939 1.00 0.00 C ATOM 119 CE2 PHE A 6 110.996 4.614 -7.038 1.00 0.00 C ATOM 120 CZ PHE A 6 112.179 4.854 -6.298 1.00 0.00 C ATOM 0 H PHE A 6 109.451 4.092 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 6 107.412 4.609 -4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.152 2.219 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.252 2.324 -5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 6 111.209 3.530 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 6 108.988 3.798 -6.985 1.00 0.00 H new ATOM 0 HE1 PHE A 6 113.158 4.646 -4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 6 110.937 4.914 -8.074 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.023 5.336 -6.770 1.00 0.00 H new ATOM 130 N TYR A 7 106.750 2.667 -1.931 1.00 0.00 N ATOM 131 CA TYR A 7 105.621 1.928 -1.270 1.00 0.00 C ATOM 132 C TYR A 7 104.418 2.863 -1.074 1.00 0.00 C ATOM 133 O TYR A 7 104.542 3.936 -0.513 1.00 0.00 O ATOM 134 CB TYR A 7 106.182 1.479 0.086 1.00 0.00 C ATOM 135 CG TYR A 7 105.529 0.237 0.661 1.00 0.00 C ATOM 136 CD1 TYR A 7 104.120 0.078 0.618 1.00 0.00 C ATOM 137 CD2 TYR A 7 106.331 -0.761 1.266 1.00 0.00 C ATOM 138 CE1 TYR A 7 103.519 -1.074 1.180 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.728 -1.915 1.823 1.00 0.00 C ATOM 140 CZ TYR A 7 104.324 -2.070 1.782 1.00 0.00 C ATOM 141 OH TYR A 7 103.742 -3.192 2.338 1.00 0.00 O ATOM 0 H TYR A 7 107.594 2.756 -1.365 1.00 0.00 H new ATOM 0 HA TYR A 7 105.273 1.085 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 7 107.251 1.295 -0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 7 106.069 2.296 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 7 103.505 0.836 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 7 107.404 -0.642 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 7 102.446 -1.193 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.342 -2.677 2.280 1.00 0.00 H new ATOM 0 HH TYR A 7 102.801 -3.239 2.070 1.00 0.00 H new ATOM 151 N GLY A 8 103.259 2.458 -1.535 1.00 0.00 N ATOM 152 CA GLY A 8 102.041 3.316 -1.403 1.00 0.00 C ATOM 153 C GLY A 8 101.982 4.363 -2.529 1.00 0.00 C ATOM 154 O GLY A 8 101.076 5.175 -2.569 1.00 0.00 O ATOM 0 H GLY A 8 103.104 1.563 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 8 101.147 2.693 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 8 102.047 3.817 -0.435 1.00 0.00 H new ATOM 158 N SER A 9 102.932 4.359 -3.441 1.00 0.00 N ATOM 159 CA SER A 9 102.872 5.310 -4.594 1.00 0.00 C ATOM 160 C SER A 9 102.055 4.701 -5.736 1.00 0.00 C ATOM 161 O SER A 9 101.996 3.494 -5.888 1.00 0.00 O ATOM 162 CB SER A 9 104.325 5.515 -5.026 1.00 0.00 C ATOM 163 OG SER A 9 105.049 6.120 -3.964 1.00 0.00 O ATOM 0 H SER A 9 103.742 3.739 -3.433 1.00 0.00 H new ATOM 0 HA SER A 9 102.394 6.252 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.776 4.559 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.367 6.144 -5.915 1.00 0.00 H new ATOM 0 HG SER A 9 106.009 5.982 -4.103 1.00 0.00 H new ATOM 169 N ASN A 10 101.424 5.526 -6.537 1.00 0.00 N ATOM 170 CA ASN A 10 100.645 5.001 -7.700 1.00 0.00 C ATOM 171 C ASN A 10 101.503 5.040 -8.965 1.00 0.00 C ATOM 172 O ASN A 10 101.877 6.097 -9.443 1.00 0.00 O ATOM 173 CB ASN A 10 99.447 5.944 -7.835 1.00 0.00 C ATOM 174 CG ASN A 10 98.413 5.332 -8.785 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.763 4.650 -9.729 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.144 5.548 -8.573 1.00 0.00 N ATOM 0 H ASN A 10 101.416 6.541 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 10 100.333 3.967 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.998 6.119 -6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.775 6.912 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.447 5.145 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.849 6.120 -7.781 1.00 0.00 H new ATOM 183 N VAL A 11 101.813 3.890 -9.505 1.00 0.00 N ATOM 184 CA VAL A 11 102.622 3.830 -10.760 1.00 0.00 C ATOM 185 C VAL A 11 101.966 2.863 -11.750 1.00 0.00 C ATOM 186 O VAL A 11 101.117 2.073 -11.376 1.00 0.00 O ATOM 187 CB VAL A 11 104.013 3.322 -10.338 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.666 4.340 -9.401 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.894 1.973 -9.614 1.00 0.00 C ATOM 0 H VAL A 11 101.539 2.983 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 11 102.692 4.800 -11.252 1.00 0.00 H new ATOM 0 HB VAL A 11 104.624 3.193 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.651 3.980 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.769 5.295 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.044 4.471 -8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.886 1.628 -9.322 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.275 2.091 -8.725 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.437 1.242 -10.280 1.00 0.00 H new ATOM 199 N GLU A 12 102.349 2.916 -13.002 1.00 0.00 N ATOM 200 CA GLU A 12 101.853 1.904 -13.981 1.00 0.00 C ATOM 201 C GLU A 12 103.035 1.114 -14.549 1.00 0.00 C ATOM 202 O GLU A 12 104.117 1.639 -14.721 1.00 0.00 O ATOM 203 CB GLU A 12 101.155 2.718 -15.077 1.00 0.00 C ATOM 204 CG GLU A 12 100.555 1.776 -16.128 1.00 0.00 C ATOM 205 CD GLU A 12 99.801 2.592 -17.181 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.315 3.623 -17.587 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.722 2.173 -17.566 1.00 0.00 O ATOM 0 H GLU A 12 102.983 3.616 -13.387 1.00 0.00 H new ATOM 0 HA GLU A 12 101.174 1.179 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.370 3.335 -14.639 1.00 0.00 H new ATOM 0 HB3 GLU A 12 101.867 3.395 -15.548 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.345 1.194 -16.602 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.879 1.066 -15.651 1.00 0.00 H new ATOM 214 N VAL A 13 102.833 -0.146 -14.837 1.00 0.00 N ATOM 215 CA VAL A 13 103.937 -0.981 -15.397 1.00 0.00 C ATOM 216 C VAL A 13 103.432 -1.762 -16.610 1.00 0.00 C ATOM 217 O VAL A 13 102.307 -2.231 -16.624 1.00 0.00 O ATOM 218 CB VAL A 13 104.346 -1.932 -14.254 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.205 -2.906 -13.923 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.578 -2.738 -14.676 1.00 0.00 C ATOM 0 H VAL A 13 101.947 -0.634 -14.708 1.00 0.00 H new ATOM 0 HA VAL A 13 104.783 -0.383 -15.736 1.00 0.00 H new ATOM 0 HB VAL A 13 104.570 -1.333 -13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.515 -3.568 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.324 -2.343 -13.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 102.965 -3.499 -14.806 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.867 -3.410 -13.868 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.344 -3.321 -15.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.401 -2.057 -14.894 1.00 0.00 H new ATOM 230 N LEU A 14 104.245 -1.907 -17.625 1.00 0.00 N ATOM 231 CA LEU A 14 103.907 -2.896 -18.690 1.00 0.00 C ATOM 232 C LEU A 14 104.562 -4.228 -18.365 1.00 0.00 C ATOM 233 O LEU A 14 105.715 -4.281 -17.978 1.00 0.00 O ATOM 234 CB LEU A 14 104.469 -2.366 -20.017 1.00 0.00 C ATOM 235 CG LEU A 14 103.957 -0.950 -20.360 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.902 -0.813 -21.882 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.550 -0.707 -19.803 1.00 0.00 C ATOM 0 H LEU A 14 105.115 -1.392 -17.761 1.00 0.00 H new ATOM 0 HA LEU A 14 102.828 -3.034 -18.757 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.558 -2.351 -19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.197 -3.050 -20.821 1.00 0.00 H new ATOM 0 HG LEU A 14 104.635 -0.222 -19.914 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.542 0.182 -22.145 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.899 -0.960 -22.297 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.225 -1.563 -22.291 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.224 0.300 -20.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.859 -1.434 -20.229 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.565 -0.813 -18.718 1.00 0.00 H new ATOM 249 N LEU A 15 103.839 -5.300 -18.519 1.00 0.00 N ATOM 250 CA LEU A 15 104.458 -6.642 -18.319 1.00 0.00 C ATOM 251 C LEU A 15 105.110 -7.112 -19.622 1.00 0.00 C ATOM 252 O LEU A 15 104.974 -6.484 -20.656 1.00 0.00 O ATOM 253 CB LEU A 15 103.310 -7.574 -17.917 1.00 0.00 C ATOM 254 CG LEU A 15 102.722 -7.127 -16.576 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.423 -7.890 -16.308 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.723 -7.419 -15.455 1.00 0.00 C ATOM 0 H LEU A 15 102.851 -5.308 -18.773 1.00 0.00 H new ATOM 0 HA LEU A 15 105.237 -6.626 -17.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.536 -7.564 -18.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.672 -8.599 -17.842 1.00 0.00 H new ATOM 0 HG LEU A 15 102.516 -6.057 -16.610 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.004 -7.572 -15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.708 -7.683 -17.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.630 -8.960 -16.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.304 -7.100 -14.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.930 -8.489 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.649 -6.876 -15.644 1.00 0.00 H new ATOM 268 N ASN A 16 105.818 -8.216 -19.575 1.00 0.00 N ATOM 269 CA ASN A 16 106.574 -8.704 -20.784 1.00 0.00 C ATOM 270 C ASN A 16 105.640 -8.898 -21.991 1.00 0.00 C ATOM 271 O ASN A 16 106.081 -8.898 -23.126 1.00 0.00 O ATOM 272 CB ASN A 16 107.204 -10.044 -20.365 1.00 0.00 C ATOM 273 CG ASN A 16 106.117 -11.035 -19.928 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.232 -11.362 -20.695 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.148 -11.530 -18.720 1.00 0.00 N ATOM 0 H ASN A 16 105.908 -8.807 -18.748 1.00 0.00 H new ATOM 0 HA ASN A 16 107.326 -7.980 -21.096 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.772 -10.461 -21.196 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.907 -9.882 -19.548 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.430 -12.190 -18.421 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.890 -11.256 -18.076 1.00 0.00 H new ATOM 282 N ASN A 17 104.361 -9.059 -21.753 1.00 0.00 N ATOM 283 CA ASN A 17 103.406 -9.292 -22.881 1.00 0.00 C ATOM 284 C ASN A 17 102.745 -7.975 -23.326 1.00 0.00 C ATOM 285 O ASN A 17 101.659 -7.978 -23.874 1.00 0.00 O ATOM 286 CB ASN A 17 102.362 -10.284 -22.338 1.00 0.00 C ATOM 287 CG ASN A 17 101.620 -9.689 -21.135 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.666 -8.955 -21.299 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.021 -9.978 -19.927 1.00 0.00 N ATOM 0 H ASN A 17 103.937 -9.039 -20.826 1.00 0.00 H new ATOM 0 HA ASN A 17 103.912 -9.687 -23.762 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.649 -10.535 -23.123 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.853 -11.212 -22.045 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.533 -9.588 -19.121 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.822 -10.594 -19.789 1.00 0.00 H new ATOM 296 N ASP A 18 103.392 -6.844 -23.089 1.00 0.00 N ATOM 297 CA ASP A 18 102.905 -5.533 -23.647 1.00 0.00 C ATOM 298 C ASP A 18 101.483 -5.225 -23.160 1.00 0.00 C ATOM 299 O ASP A 18 100.737 -4.524 -23.819 1.00 0.00 O ATOM 300 CB ASP A 18 102.930 -5.682 -25.177 1.00 0.00 C ATOM 301 CG ASP A 18 104.372 -5.881 -25.653 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.244 -5.197 -25.143 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.577 -6.714 -26.520 1.00 0.00 O ATOM 0 H ASP A 18 104.242 -6.777 -22.529 1.00 0.00 H new ATOM 0 HA ASP A 18 103.536 -4.708 -23.317 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.317 -6.531 -25.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.501 -4.796 -25.645 1.00 0.00 H new ATOM 308 N SER A 19 101.103 -5.743 -22.013 1.00 0.00 N ATOM 309 CA SER A 19 99.831 -5.297 -21.372 1.00 0.00 C ATOM 310 C SER A 19 100.151 -4.319 -20.243 1.00 0.00 C ATOM 311 O SER A 19 101.129 -4.481 -19.535 1.00 0.00 O ATOM 312 CB SER A 19 99.186 -6.569 -20.820 1.00 0.00 C ATOM 313 OG SER A 19 99.971 -7.067 -19.744 1.00 0.00 O ATOM 0 H SER A 19 101.621 -6.454 -21.497 1.00 0.00 H new ATOM 0 HA SER A 19 99.166 -4.787 -22.069 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.173 -6.358 -20.478 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.107 -7.321 -21.606 1.00 0.00 H new ATOM 0 HG SER A 19 100.301 -7.962 -19.967 1.00 0.00 H new ATOM 319 N LYS A 20 99.338 -3.308 -20.067 1.00 0.00 N ATOM 320 CA LYS A 20 99.662 -2.251 -19.061 1.00 0.00 C ATOM 321 C LYS A 20 98.709 -2.324 -17.862 1.00 0.00 C ATOM 322 O LYS A 20 97.519 -2.531 -18.016 1.00 0.00 O ATOM 323 CB LYS A 20 99.508 -0.916 -19.811 1.00 0.00 C ATOM 324 CG LYS A 20 98.051 -0.693 -20.244 1.00 0.00 C ATOM 325 CD LYS A 20 97.942 0.642 -20.982 1.00 0.00 C ATOM 326 CE LYS A 20 96.477 1.077 -21.035 1.00 0.00 C ATOM 327 NZ LYS A 20 95.901 0.346 -22.198 1.00 0.00 N ATOM 0 H LYS A 20 98.465 -3.169 -20.576 1.00 0.00 H new ATOM 0 HA LYS A 20 100.667 -2.372 -18.656 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.830 -0.095 -19.170 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.157 -0.910 -20.687 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.723 -1.507 -20.891 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.396 -0.695 -19.373 1.00 0.00 H new ATOM 0 HD2 LYS A 20 98.539 1.400 -20.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.340 0.545 -21.992 1.00 0.00 H new ATOM 0 HE2 LYS A 20 95.956 0.823 -20.112 1.00 0.00 H new ATOM 0 HE3 LYS A 20 96.390 2.156 -21.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 94.896 0.593 -22.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 96.412 0.613 -23.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.992 -0.678 -22.044 1.00 0.00 H new ATOM 341 N ALA A 21 99.232 -2.155 -16.672 1.00 0.00 N ATOM 342 CA ALA A 21 98.361 -2.096 -15.458 1.00 0.00 C ATOM 343 C ALA A 21 98.904 -1.054 -14.476 1.00 0.00 C ATOM 344 O ALA A 21 100.099 -0.826 -14.408 1.00 0.00 O ATOM 345 CB ALA A 21 98.435 -3.498 -14.849 1.00 0.00 C ATOM 0 H ALA A 21 100.230 -2.055 -16.489 1.00 0.00 H new ATOM 0 HA ALA A 21 97.336 -1.810 -15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.820 -3.537 -13.950 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.069 -4.228 -15.571 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.469 -3.729 -14.591 1.00 0.00 H new ATOM 351 N ARG A 22 98.040 -0.422 -13.717 1.00 0.00 N ATOM 352 CA ARG A 22 98.505 0.626 -12.755 1.00 0.00 C ATOM 353 C ARG A 22 97.789 0.474 -11.412 1.00 0.00 C ATOM 354 O ARG A 22 96.702 -0.068 -11.339 1.00 0.00 O ATOM 355 CB ARG A 22 98.161 1.974 -13.413 1.00 0.00 C ATOM 356 CG ARG A 22 96.650 2.084 -13.660 1.00 0.00 C ATOM 357 CD ARG A 22 96.359 3.333 -14.498 1.00 0.00 C ATOM 358 NE ARG A 22 94.864 3.426 -14.567 1.00 0.00 N ATOM 359 CZ ARG A 22 94.264 4.186 -15.464 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.946 4.900 -16.332 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.960 4.232 -15.488 1.00 0.00 N ATOM 0 H ARG A 22 97.033 -0.587 -13.723 1.00 0.00 H new ATOM 0 HA ARG A 22 99.573 0.545 -12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.491 2.792 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.697 2.072 -14.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.289 1.194 -14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.118 2.138 -12.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.787 4.223 -14.038 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.794 3.248 -15.494 1.00 0.00 H new ATOM 0 HE ARG A 22 94.299 2.891 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.966 4.875 -16.323 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.455 5.478 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.418 3.685 -14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.483 4.815 -16.176 1.00 0.00 H new ATOM 375 N GLY A 23 98.400 0.945 -10.353 1.00 0.00 N ATOM 376 CA GLY A 23 97.736 0.900 -9.018 1.00 0.00 C ATOM 377 C GLY A 23 98.675 1.480 -7.962 1.00 0.00 C ATOM 378 O GLY A 23 99.779 1.894 -8.265 1.00 0.00 O ATOM 0 H GLY A 23 99.332 1.359 -10.358 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.806 1.467 -9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.476 -0.128 -8.764 1.00 0.00 H new ATOM 382 N VAL A 24 98.245 1.512 -6.724 1.00 0.00 N ATOM 383 CA VAL A 24 99.131 2.010 -5.627 1.00 0.00 C ATOM 384 C VAL A 24 99.880 0.829 -5.004 1.00 0.00 C ATOM 385 O VAL A 24 99.293 -0.190 -4.693 1.00 0.00 O ATOM 386 CB VAL A 24 98.191 2.665 -4.598 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.014 3.287 -3.464 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.366 3.767 -5.272 1.00 0.00 C ATOM 0 H VAL A 24 97.316 1.214 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 24 99.877 2.720 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 24 97.526 1.901 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.344 3.749 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.601 2.511 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.683 4.044 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.703 4.226 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.035 4.524 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.772 3.336 -6.078 1.00 0.00 H new ATOM 398 N ILE A 25 101.170 0.963 -4.821 1.00 0.00 N ATOM 399 CA ILE A 25 101.981 -0.174 -4.274 1.00 0.00 C ATOM 400 C ILE A 25 101.550 -0.489 -2.832 1.00 0.00 C ATOM 401 O ILE A 25 101.356 0.400 -2.023 1.00 0.00 O ATOM 402 CB ILE A 25 103.442 0.307 -4.336 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.892 0.355 -5.799 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.360 -0.646 -3.556 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.129 1.246 -5.928 1.00 0.00 C ATOM 0 H ILE A 25 101.699 1.811 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 25 101.845 -1.095 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 25 103.505 1.299 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.118 -0.651 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.087 0.741 -6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.388 -0.288 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.045 -0.682 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.299 -1.645 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.447 1.278 -6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.888 2.254 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.934 0.841 -5.315 1.00 0.00 H new ATOM 417 N THR A 26 101.404 -1.755 -2.521 1.00 0.00 N ATOM 418 CA THR A 26 100.951 -2.157 -1.155 1.00 0.00 C ATOM 419 C THR A 26 101.933 -3.140 -0.500 1.00 0.00 C ATOM 420 O THR A 26 101.871 -3.354 0.695 1.00 0.00 O ATOM 421 CB THR A 26 99.590 -2.824 -1.369 1.00 0.00 C ATOM 422 OG1 THR A 26 99.710 -3.836 -2.358 1.00 0.00 O ATOM 423 CG2 THR A 26 98.571 -1.778 -1.827 1.00 0.00 C ATOM 0 H THR A 26 101.581 -2.530 -3.160 1.00 0.00 H new ATOM 0 HA THR A 26 100.894 -1.298 -0.487 1.00 0.00 H new ATOM 0 HB THR A 26 99.253 -3.269 -0.433 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.035 -3.440 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 26 97.603 -2.255 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.478 -1.003 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 26 98.905 -1.330 -2.763 1.00 0.00 H new ATOM 431 N ASN A 27 102.832 -3.747 -1.253 1.00 0.00 N ATOM 432 CA ASN A 27 103.877 -4.605 -0.609 1.00 0.00 C ATOM 433 C ASN A 27 105.101 -4.754 -1.518 1.00 0.00 C ATOM 434 O ASN A 27 105.001 -4.677 -2.727 1.00 0.00 O ATOM 435 CB ASN A 27 103.198 -5.960 -0.399 1.00 0.00 C ATOM 436 CG ASN A 27 104.082 -6.845 0.482 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.719 -7.759 -0.001 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.148 -6.609 1.764 1.00 0.00 N ATOM 0 H ASN A 27 102.883 -3.684 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 27 104.238 -4.173 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.223 -5.821 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.024 -6.444 -1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.735 -7.192 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.613 -5.841 2.169 1.00 0.00 H new ATOM 445 N PHE A 28 106.252 -4.966 -0.929 1.00 0.00 N ATOM 446 CA PHE A 28 107.487 -5.228 -1.728 1.00 0.00 C ATOM 447 C PHE A 28 108.426 -6.146 -0.943 1.00 0.00 C ATOM 448 O PHE A 28 108.649 -5.955 0.239 1.00 0.00 O ATOM 449 CB PHE A 28 108.126 -3.856 -1.939 1.00 0.00 C ATOM 450 CG PHE A 28 109.305 -3.883 -2.884 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.104 -4.167 -4.256 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.609 -3.625 -2.396 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.208 -4.192 -5.143 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.713 -3.650 -3.282 1.00 0.00 C ATOM 455 CZ PHE A 28 111.514 -3.933 -4.655 1.00 0.00 C ATOM 0 H PHE A 28 106.389 -4.969 0.082 1.00 0.00 H new ATOM 0 HA PHE A 28 107.273 -5.721 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.374 -3.169 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.451 -3.462 -0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.109 -4.365 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 28 110.761 -3.409 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.055 -4.408 -6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 28 112.708 -3.453 -2.910 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.357 -3.952 -5.330 1.00 0.00 H new ATOM 465 N ASP A 29 108.974 -7.140 -1.595 1.00 0.00 N ATOM 466 CA ASP A 29 109.853 -8.122 -0.891 1.00 0.00 C ATOM 467 C ASP A 29 111.233 -8.140 -1.550 1.00 0.00 C ATOM 468 O ASP A 29 111.349 -8.347 -2.740 1.00 0.00 O ATOM 469 CB ASP A 29 109.152 -9.470 -1.064 1.00 0.00 C ATOM 470 CG ASP A 29 109.858 -10.530 -0.217 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.745 -10.465 0.995 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.499 -11.391 -0.797 1.00 0.00 O ATOM 0 H ASP A 29 108.849 -7.314 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 29 110.003 -7.877 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.107 -9.388 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.161 -9.764 -2.114 1.00 0.00 H new ATOM 477 N SER A 30 112.274 -7.928 -0.782 1.00 0.00 N ATOM 478 CA SER A 30 113.646 -7.836 -1.376 1.00 0.00 C ATOM 479 C SER A 30 114.201 -9.232 -1.682 1.00 0.00 C ATOM 480 O SER A 30 114.940 -9.414 -2.632 1.00 0.00 O ATOM 481 CB SER A 30 114.501 -7.144 -0.313 1.00 0.00 C ATOM 482 OG SER A 30 114.641 -8.003 0.809 1.00 0.00 O ATOM 0 H SER A 30 112.234 -7.815 0.231 1.00 0.00 H new ATOM 0 HA SER A 30 113.641 -7.287 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.481 -6.898 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.037 -6.205 -0.011 1.00 0.00 H new ATOM 0 HG SER A 30 115.190 -7.563 1.491 1.00 0.00 H new ATOM 488 N SER A 31 113.850 -10.212 -0.885 1.00 0.00 N ATOM 489 CA SER A 31 114.426 -11.584 -1.077 1.00 0.00 C ATOM 490 C SER A 31 113.905 -12.211 -2.375 1.00 0.00 C ATOM 491 O SER A 31 114.613 -12.940 -3.045 1.00 0.00 O ATOM 492 CB SER A 31 113.964 -12.396 0.135 1.00 0.00 C ATOM 493 OG SER A 31 112.560 -12.607 0.055 1.00 0.00 O ATOM 0 H SER A 31 113.191 -10.124 -0.111 1.00 0.00 H new ATOM 0 HA SER A 31 115.513 -11.557 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 31 114.485 -13.353 0.166 1.00 0.00 H new ATOM 0 HB3 SER A 31 114.212 -11.868 1.056 1.00 0.00 H new ATOM 0 HG SER A 31 112.111 -11.755 -0.127 1.00 0.00 H new ATOM 499 N ASN A 32 112.675 -11.930 -2.731 1.00 0.00 N ATOM 500 CA ASN A 32 112.087 -12.532 -3.973 1.00 0.00 C ATOM 501 C ASN A 32 111.573 -11.447 -4.936 1.00 0.00 C ATOM 502 O ASN A 32 111.077 -11.753 -6.005 1.00 0.00 O ATOM 503 CB ASN A 32 110.929 -13.397 -3.475 1.00 0.00 C ATOM 504 CG ASN A 32 110.620 -14.487 -4.507 1.00 0.00 C ATOM 505 OD1 ASN A 32 110.251 -15.669 -4.097 1.00 0.00 O flip ATOM 506 ND2 ASN A 32 110.715 -14.259 -5.697 1.00 0.00 N flip ATOM 0 H ASN A 32 112.051 -11.309 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 32 112.828 -13.104 -4.532 1.00 0.00 H new ATOM 0 HB2 ASN A 32 111.186 -13.851 -2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.046 -12.780 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 32 111.004 -13.335 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 32 110.506 -14.992 -6.375 1.00 0.00 H new ATOM 513 N SER A 33 111.684 -10.181 -4.574 1.00 0.00 N ATOM 514 CA SER A 33 111.202 -9.067 -5.467 1.00 0.00 C ATOM 515 C SER A 33 109.739 -9.292 -5.884 1.00 0.00 C ATOM 516 O SER A 33 109.438 -9.531 -7.041 1.00 0.00 O ATOM 517 CB SER A 33 112.134 -9.086 -6.686 1.00 0.00 C ATOM 518 OG SER A 33 113.480 -9.220 -6.250 1.00 0.00 O ATOM 0 H SER A 33 112.091 -9.872 -3.691 1.00 0.00 H new ATOM 0 HA SER A 33 111.228 -8.103 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.870 -9.912 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.016 -8.168 -7.262 1.00 0.00 H new ATOM 0 HG SER A 33 114.076 -9.234 -7.028 1.00 0.00 H new ATOM 524 N ILE A 34 108.832 -9.216 -4.940 1.00 0.00 N ATOM 525 CA ILE A 34 107.379 -9.403 -5.262 1.00 0.00 C ATOM 526 C ILE A 34 106.604 -8.135 -4.889 1.00 0.00 C ATOM 527 O ILE A 34 106.787 -7.580 -3.822 1.00 0.00 O ATOM 528 CB ILE A 34 106.915 -10.598 -4.410 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.808 -11.833 -4.674 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.457 -10.938 -4.744 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.731 -12.277 -6.146 1.00 0.00 C ATOM 0 H ILE A 34 109.034 -9.032 -3.957 1.00 0.00 H new ATOM 0 HA ILE A 34 107.210 -9.587 -6.323 1.00 0.00 H new ATOM 0 HB ILE A 34 106.995 -10.326 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.841 -11.599 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.497 -12.654 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.133 -11.784 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.824 -10.076 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.376 -11.195 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.370 -13.147 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.702 -12.535 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.067 -11.464 -6.789 1.00 0.00 H new ATOM 543 N LEU A 35 105.738 -7.676 -5.761 1.00 0.00 N ATOM 544 CA LEU A 35 105.049 -6.368 -5.536 1.00 0.00 C ATOM 545 C LEU A 35 103.532 -6.541 -5.636 1.00 0.00 C ATOM 546 O LEU A 35 103.018 -7.026 -6.626 1.00 0.00 O ATOM 547 CB LEU A 35 105.563 -5.466 -6.660 1.00 0.00 C ATOM 548 CG LEU A 35 105.043 -4.039 -6.464 1.00 0.00 C ATOM 549 CD1 LEU A 35 105.956 -3.287 -5.493 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.027 -3.318 -7.814 1.00 0.00 C ATOM 0 H LEU A 35 105.478 -8.155 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 35 105.251 -5.954 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.653 -5.467 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.236 -5.852 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 35 104.033 -4.072 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.584 -2.272 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.969 -3.802 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.967 -3.251 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.657 -2.301 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.038 -3.286 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.375 -3.853 -8.504 1.00 0.00 H new ATOM 562 N GLN A 36 102.819 -6.143 -4.612 1.00 0.00 N ATOM 563 CA GLN A 36 101.331 -6.115 -4.693 1.00 0.00 C ATOM 564 C GLN A 36 100.864 -4.703 -5.040 1.00 0.00 C ATOM 565 O GLN A 36 101.235 -3.748 -4.386 1.00 0.00 O ATOM 566 CB GLN A 36 100.847 -6.512 -3.298 1.00 0.00 C ATOM 567 CG GLN A 36 101.101 -8.005 -3.077 1.00 0.00 C ATOM 568 CD GLN A 36 100.693 -8.390 -1.652 1.00 0.00 C ATOM 569 OE1 GLN A 36 100.861 -7.619 -0.728 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.160 -9.561 -1.435 1.00 0.00 N ATOM 0 H GLN A 36 103.208 -5.835 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 36 100.941 -6.785 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.368 -5.927 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.784 -6.293 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.534 -8.592 -3.800 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.155 -8.233 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.019 -10.209 -2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.885 -9.829 -0.490 1.00 0.00 H new ATOM 579 N LEU A 37 100.058 -4.565 -6.064 1.00 0.00 N ATOM 580 CA LEU A 37 99.545 -3.215 -6.447 1.00 0.00 C ATOM 581 C LEU A 37 98.045 -3.119 -6.162 1.00 0.00 C ATOM 582 O LEU A 37 97.267 -3.937 -6.619 1.00 0.00 O ATOM 583 CB LEU A 37 99.811 -3.095 -7.950 1.00 0.00 C ATOM 584 CG LEU A 37 101.319 -3.052 -8.208 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.590 -3.340 -9.686 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.859 -1.663 -7.855 1.00 0.00 C ATOM 0 H LEU A 37 99.733 -5.332 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 37 100.030 -2.418 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.367 -3.940 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.340 -2.193 -8.341 1.00 0.00 H new ATOM 0 HG LEU A 37 101.814 -3.803 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.664 -3.310 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.205 -4.328 -9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.094 -2.588 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.933 -1.633 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.364 -0.913 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.665 -1.454 -6.803 1.00 0.00 H new ATOM 598 N ARG A 38 97.639 -2.127 -5.409 1.00 0.00 N ATOM 599 CA ARG A 38 96.181 -1.936 -5.132 1.00 0.00 C ATOM 600 C ARG A 38 95.678 -0.665 -5.825 1.00 0.00 C ATOM 601 O ARG A 38 96.148 0.424 -5.558 1.00 0.00 O ATOM 602 CB ARG A 38 96.078 -1.802 -3.611 1.00 0.00 C ATOM 603 CG ARG A 38 94.606 -1.766 -3.194 1.00 0.00 C ATOM 604 CD ARG A 38 94.508 -1.606 -1.673 1.00 0.00 C ATOM 605 NE ARG A 38 93.047 -1.702 -1.356 1.00 0.00 N ATOM 606 CZ ARG A 38 92.566 -1.293 -0.197 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.346 -0.790 0.734 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.285 -1.393 0.031 1.00 0.00 N ATOM 0 H ARG A 38 98.255 -1.440 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 38 95.575 -2.762 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.582 -2.639 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.581 -0.893 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.097 -0.940 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.106 -2.683 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.073 -2.383 -1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.918 -0.648 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 38 92.410 -2.092 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.349 -0.708 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.948 -0.481 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 38 90.669 -1.783 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.900 -1.081 0.922 1.00 0.00 H new ATOM 622 N LEU A 39 94.721 -0.803 -6.710 1.00 0.00 N ATOM 623 CA LEU A 39 94.264 0.362 -7.526 1.00 0.00 C ATOM 624 C LEU A 39 92.945 0.924 -6.971 1.00 0.00 C ATOM 625 O LEU A 39 92.201 0.238 -6.291 1.00 0.00 O ATOM 626 CB LEU A 39 94.084 -0.210 -8.940 1.00 0.00 C ATOM 627 CG LEU A 39 93.562 0.861 -9.912 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.580 1.997 -10.062 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.339 0.216 -11.278 1.00 0.00 C ATOM 0 H LEU A 39 94.235 -1.679 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 39 94.970 1.192 -7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 39 95.036 -0.599 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.387 -1.048 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 39 92.631 1.271 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.192 2.744 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.756 2.459 -9.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.517 1.597 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.968 0.965 -11.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.281 -0.190 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.608 -0.588 -11.186 1.00 0.00 H new ATOM 641 N ALA A 40 92.659 2.171 -7.272 1.00 0.00 N ATOM 642 CA ALA A 40 91.502 2.878 -6.624 1.00 0.00 C ATOM 643 C ALA A 40 90.147 2.302 -7.070 1.00 0.00 C ATOM 644 O ALA A 40 89.110 2.740 -6.606 1.00 0.00 O ATOM 645 CB ALA A 40 91.625 4.338 -7.067 1.00 0.00 C ATOM 0 H ALA A 40 93.181 2.734 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 40 91.535 2.761 -5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.812 4.920 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.580 4.741 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.571 4.394 -8.154 1.00 0.00 H new ATOM 651 N ASN A 41 90.135 1.333 -7.959 1.00 0.00 N ATOM 652 CA ASN A 41 88.851 0.646 -8.313 1.00 0.00 C ATOM 653 C ASN A 41 88.565 -0.524 -7.348 1.00 0.00 C ATOM 654 O ASN A 41 87.896 -1.472 -7.710 1.00 0.00 O ATOM 655 CB ASN A 41 89.047 0.135 -9.753 1.00 0.00 C ATOM 656 CG ASN A 41 90.181 -0.900 -9.818 1.00 0.00 C ATOM 657 OD1 ASN A 41 91.078 -0.896 -8.997 1.00 0.00 O ATOM 658 ND2 ASN A 41 90.177 -1.794 -10.770 1.00 0.00 N ATOM 0 H ASN A 41 90.959 0.990 -8.453 1.00 0.00 H new ATOM 0 HA ASN A 41 87.998 1.320 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 41 88.121 -0.312 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.275 0.972 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 41 90.925 -2.486 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 41 89.426 -1.800 -11.460 1.00 0.00 H new ATOM 665 N ASP A 42 89.067 -0.467 -6.121 1.00 0.00 N ATOM 666 CA ASP A 42 88.800 -1.555 -5.119 1.00 0.00 C ATOM 667 C ASP A 42 89.359 -2.894 -5.619 1.00 0.00 C ATOM 668 O ASP A 42 88.853 -3.946 -5.273 1.00 0.00 O ATOM 669 CB ASP A 42 87.273 -1.633 -4.973 1.00 0.00 C ATOM 670 CG ASP A 42 86.921 -2.337 -3.662 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.788 -3.550 -3.680 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.790 -1.651 -2.661 1.00 0.00 O ATOM 0 H ASP A 42 89.652 0.294 -5.776 1.00 0.00 H new ATOM 0 HA ASP A 42 89.281 -1.343 -4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.844 -0.631 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.844 -2.175 -5.816 1.00 0.00 H new ATOM 677 N SER A 43 90.399 -2.866 -6.430 1.00 0.00 N ATOM 678 CA SER A 43 90.999 -4.143 -6.927 1.00 0.00 C ATOM 679 C SER A 43 92.486 -4.205 -6.567 1.00 0.00 C ATOM 680 O SER A 43 93.201 -3.225 -6.678 1.00 0.00 O ATOM 681 CB SER A 43 90.810 -4.107 -8.444 1.00 0.00 C ATOM 682 OG SER A 43 89.423 -4.182 -8.746 1.00 0.00 O ATOM 0 H SER A 43 90.852 -2.016 -6.765 1.00 0.00 H new ATOM 0 HA SER A 43 90.531 -5.021 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.234 -3.190 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.341 -4.938 -8.908 1.00 0.00 H new ATOM 0 HG SER A 43 88.984 -3.349 -8.475 1.00 0.00 H new ATOM 688 N THR A 44 92.951 -5.352 -6.136 1.00 0.00 N ATOM 689 CA THR A 44 94.395 -5.502 -5.772 1.00 0.00 C ATOM 690 C THR A 44 94.974 -6.768 -6.414 1.00 0.00 C ATOM 691 O THR A 44 94.283 -7.757 -6.582 1.00 0.00 O ATOM 692 CB THR A 44 94.420 -5.598 -4.237 1.00 0.00 C ATOM 693 OG1 THR A 44 95.765 -5.734 -3.798 1.00 0.00 O ATOM 694 CG2 THR A 44 93.603 -6.805 -3.757 1.00 0.00 C ATOM 0 H THR A 44 92.389 -6.196 -6.020 1.00 0.00 H new ATOM 0 HA THR A 44 94.999 -4.668 -6.128 1.00 0.00 H new ATOM 0 HB THR A 44 93.980 -4.692 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.785 -5.794 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.633 -6.855 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.569 -6.699 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.025 -7.719 -4.174 1.00 0.00 H new ATOM 702 N LYS A 45 96.234 -6.741 -6.773 1.00 0.00 N ATOM 703 CA LYS A 45 96.856 -7.927 -7.437 1.00 0.00 C ATOM 704 C LYS A 45 98.310 -8.097 -6.993 1.00 0.00 C ATOM 705 O LYS A 45 99.030 -7.131 -6.815 1.00 0.00 O ATOM 706 CB LYS A 45 96.783 -7.628 -8.934 1.00 0.00 C ATOM 707 CG LYS A 45 95.348 -7.828 -9.420 1.00 0.00 C ATOM 708 CD LYS A 45 95.294 -7.662 -10.940 1.00 0.00 C ATOM 709 CE LYS A 45 93.846 -7.791 -11.418 1.00 0.00 C ATOM 710 NZ LYS A 45 93.832 -7.179 -12.775 1.00 0.00 N ATOM 0 H LYS A 45 96.859 -5.947 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 45 96.343 -8.853 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.106 -6.605 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.459 -8.285 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.993 -8.820 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.687 -7.106 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.697 -6.690 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.915 -8.417 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.533 -8.835 -11.453 1.00 0.00 H new ATOM 0 HE3 LYS A 45 93.161 -7.275 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.871 -7.230 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.127 -6.184 -12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.488 -7.695 -13.395 1.00 0.00 H new ATOM 724 N SER A 46 98.741 -9.322 -6.814 1.00 0.00 N ATOM 725 CA SER A 46 100.166 -9.579 -6.446 1.00 0.00 C ATOM 726 C SER A 46 100.956 -10.008 -7.684 1.00 0.00 C ATOM 727 O SER A 46 100.687 -11.042 -8.269 1.00 0.00 O ATOM 728 CB SER A 46 100.112 -10.712 -5.422 1.00 0.00 C ATOM 729 OG SER A 46 99.664 -11.901 -6.060 1.00 0.00 O ATOM 0 H SER A 46 98.164 -10.158 -6.908 1.00 0.00 H new ATOM 0 HA SER A 46 100.659 -8.693 -6.044 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.098 -10.870 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.440 -10.448 -4.606 1.00 0.00 H new ATOM 0 HG SER A 46 99.625 -11.758 -7.029 1.00 0.00 H new ATOM 735 N ILE A 47 101.926 -9.223 -8.085 1.00 0.00 N ATOM 736 CA ILE A 47 102.711 -9.555 -9.314 1.00 0.00 C ATOM 737 C ILE A 47 104.208 -9.487 -8.999 1.00 0.00 C ATOM 738 O ILE A 47 104.679 -8.538 -8.398 1.00 0.00 O ATOM 739 CB ILE A 47 102.319 -8.489 -10.352 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.809 -8.554 -10.621 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.069 -8.742 -11.666 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.376 -7.326 -11.427 1.00 0.00 C ATOM 0 H ILE A 47 102.208 -8.364 -7.612 1.00 0.00 H new ATOM 0 HA ILE A 47 102.504 -10.559 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 47 102.581 -7.506 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.566 -9.465 -11.168 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.263 -8.594 -9.678 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.788 -7.984 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.143 -8.693 -11.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.810 -9.729 -12.049 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.304 -7.375 -11.617 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.604 -6.422 -10.863 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.912 -7.306 -12.376 1.00 0.00 H new ATOM 754 N VAL A 48 104.955 -10.485 -9.401 1.00 0.00 N ATOM 755 CA VAL A 48 106.431 -10.467 -9.151 1.00 0.00 C ATOM 756 C VAL A 48 107.089 -9.442 -10.081 1.00 0.00 C ATOM 757 O VAL A 48 106.762 -9.353 -11.247 1.00 0.00 O ATOM 758 CB VAL A 48 106.937 -11.889 -9.457 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.427 -11.995 -9.107 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.135 -12.926 -8.648 1.00 0.00 C ATOM 0 H VAL A 48 104.608 -11.310 -9.890 1.00 0.00 H new ATOM 0 HA VAL A 48 106.671 -10.186 -8.126 1.00 0.00 H new ATOM 0 HB VAL A 48 106.801 -12.091 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.781 -13.003 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.992 -11.276 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.568 -11.782 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.503 -13.927 -8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.254 -12.727 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 48 105.080 -12.858 -8.914 1.00 0.00 H new ATOM 770 N THR A 49 108.012 -8.670 -9.568 1.00 0.00 N ATOM 771 CA THR A 49 108.624 -7.567 -10.382 1.00 0.00 C ATOM 772 C THR A 49 109.396 -8.126 -11.585 1.00 0.00 C ATOM 773 O THR A 49 109.578 -7.446 -12.578 1.00 0.00 O ATOM 774 CB THR A 49 109.572 -6.828 -9.433 1.00 0.00 C ATOM 775 OG1 THR A 49 110.516 -7.747 -8.901 1.00 0.00 O ATOM 776 CG2 THR A 49 108.773 -6.194 -8.291 1.00 0.00 C ATOM 0 H THR A 49 108.372 -8.753 -8.617 1.00 0.00 H new ATOM 0 HA THR A 49 107.858 -6.906 -10.787 1.00 0.00 H new ATOM 0 HB THR A 49 110.094 -6.044 -9.982 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.095 -8.274 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.452 -5.670 -7.619 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.051 -5.488 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.246 -6.973 -7.739 1.00 0.00 H new ATOM 784 N LYS A 50 109.853 -9.354 -11.508 1.00 0.00 N ATOM 785 CA LYS A 50 110.692 -9.919 -12.619 1.00 0.00 C ATOM 786 C LYS A 50 109.922 -9.901 -13.946 1.00 0.00 C ATOM 787 O LYS A 50 110.517 -9.868 -15.009 1.00 0.00 O ATOM 788 CB LYS A 50 111.018 -11.367 -12.212 1.00 0.00 C ATOM 789 CG LYS A 50 111.857 -11.392 -10.926 1.00 0.00 C ATOM 790 CD LYS A 50 112.044 -12.842 -10.468 1.00 0.00 C ATOM 791 CE LYS A 50 113.032 -13.547 -11.401 1.00 0.00 C ATOM 792 NZ LYS A 50 113.186 -14.915 -10.831 1.00 0.00 N ATOM 0 H LYS A 50 109.683 -9.989 -10.728 1.00 0.00 H new ATOM 0 HA LYS A 50 111.597 -9.329 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 50 110.094 -11.925 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.561 -11.863 -13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.827 -10.927 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.363 -10.813 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 50 112.414 -12.866 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 50 111.087 -13.363 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.653 -13.585 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.987 -13.023 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.850 -15.462 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.554 -14.847 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.262 -15.392 -10.818 1.00 0.00 H new ATOM 806 N ASP A 51 108.612 -9.921 -13.895 1.00 0.00 N ATOM 807 CA ASP A 51 107.816 -9.816 -15.159 1.00 0.00 C ATOM 808 C ASP A 51 107.521 -8.346 -15.513 1.00 0.00 C ATOM 809 O ASP A 51 106.703 -8.072 -16.373 1.00 0.00 O ATOM 810 CB ASP A 51 106.517 -10.605 -14.913 1.00 0.00 C ATOM 811 CG ASP A 51 105.727 -10.019 -13.734 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.460 -8.830 -13.750 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.397 -10.778 -12.838 1.00 0.00 O ATOM 0 H ASP A 51 108.063 -10.005 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 51 108.367 -10.223 -16.007 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.901 -10.586 -15.812 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.755 -11.649 -14.711 1.00 0.00 H new ATOM 818 N ILE A 52 108.172 -7.400 -14.863 1.00 0.00 N ATOM 819 CA ILE A 52 108.029 -5.968 -15.291 1.00 0.00 C ATOM 820 C ILE A 52 108.794 -5.742 -16.600 1.00 0.00 C ATOM 821 O ILE A 52 110.009 -5.813 -16.636 1.00 0.00 O ATOM 822 CB ILE A 52 108.638 -5.127 -14.152 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.789 -5.288 -12.884 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.677 -3.642 -14.556 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.523 -4.666 -11.691 1.00 0.00 C ATOM 0 H ILE A 52 108.788 -7.557 -14.065 1.00 0.00 H new ATOM 0 HA ILE A 52 106.989 -5.694 -15.470 1.00 0.00 H new ATOM 0 HB ILE A 52 109.654 -5.473 -13.959 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.821 -4.806 -13.019 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.596 -6.344 -12.695 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.109 -3.056 -13.745 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.286 -3.525 -15.453 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.664 -3.293 -14.757 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.918 -4.781 -10.791 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.481 -5.167 -11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.693 -3.606 -11.881 1.00 0.00 H new ATOM 837 N LYS A 53 108.087 -5.472 -17.669 1.00 0.00 N ATOM 838 CA LYS A 53 108.771 -5.034 -18.926 1.00 0.00 C ATOM 839 C LYS A 53 109.137 -3.551 -18.830 1.00 0.00 C ATOM 840 O LYS A 53 110.205 -3.142 -19.247 1.00 0.00 O ATOM 841 CB LYS A 53 107.758 -5.265 -20.051 1.00 0.00 C ATOM 842 CG LYS A 53 108.410 -4.970 -21.406 1.00 0.00 C ATOM 843 CD LYS A 53 107.371 -5.132 -22.516 1.00 0.00 C ATOM 844 CE LYS A 53 108.048 -4.963 -23.879 1.00 0.00 C ATOM 845 NZ LYS A 53 108.057 -3.494 -24.125 1.00 0.00 N ATOM 0 H LYS A 53 107.071 -5.535 -17.727 1.00 0.00 H new ATOM 0 HA LYS A 53 109.694 -5.586 -19.102 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.401 -6.295 -20.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 106.889 -4.623 -19.908 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.813 -3.957 -21.415 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.247 -5.648 -21.574 1.00 0.00 H new ATOM 0 HD2 LYS A 53 106.903 -6.114 -22.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.579 -4.393 -22.398 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.060 -5.368 -23.870 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.500 -5.491 -24.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.863 -3.249 -24.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.172 -3.215 -24.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.142 -2.991 -23.219 1.00 0.00 H new ATOM 859 N ASP A 54 108.258 -2.749 -18.278 1.00 0.00 N ATOM 860 CA ASP A 54 108.513 -1.267 -18.233 1.00 0.00 C ATOM 861 C ASP A 54 107.778 -0.626 -17.056 1.00 0.00 C ATOM 862 O ASP A 54 106.790 -1.147 -16.577 1.00 0.00 O ATOM 863 CB ASP A 54 107.971 -0.717 -19.555 1.00 0.00 C ATOM 864 CG ASP A 54 108.878 -1.150 -20.708 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.079 -0.980 -20.588 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.354 -1.643 -21.694 1.00 0.00 O ATOM 0 H ASP A 54 107.379 -3.051 -17.858 1.00 0.00 H new ATOM 0 HA ASP A 54 109.573 -1.049 -18.103 1.00 0.00 H new ATOM 0 HB2 ASP A 54 106.957 -1.080 -19.722 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.917 0.371 -19.512 1.00 0.00 H new ATOM 871 N LEU A 55 108.254 0.506 -16.591 1.00 0.00 N ATOM 872 CA LEU A 55 107.621 1.163 -15.405 1.00 0.00 C ATOM 873 C LEU A 55 107.445 2.668 -15.641 1.00 0.00 C ATOM 874 O LEU A 55 108.269 3.307 -16.268 1.00 0.00 O ATOM 875 CB LEU A 55 108.598 0.931 -14.251 1.00 0.00 C ATOM 876 CG LEU A 55 108.407 -0.475 -13.689 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.673 -0.906 -12.946 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.222 -0.479 -12.720 1.00 0.00 C ATOM 0 H LEU A 55 109.054 1.002 -16.983 1.00 0.00 H new ATOM 0 HA LEU A 55 106.631 0.754 -15.204 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.623 1.058 -14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.433 1.671 -13.468 1.00 0.00 H new ATOM 0 HG LEU A 55 108.212 -1.169 -14.507 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.535 -1.910 -12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.518 -0.903 -13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 55 109.869 -0.212 -12.128 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.084 -1.483 -12.318 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.418 0.216 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.319 -0.173 -13.248 1.00 0.00 H new ATOM 890 N ARG A 56 106.372 3.229 -15.139 1.00 0.00 N ATOM 891 CA ARG A 56 106.197 4.711 -15.173 1.00 0.00 C ATOM 892 C ARG A 56 105.390 5.164 -13.947 1.00 0.00 C ATOM 893 O ARG A 56 104.686 4.378 -13.342 1.00 0.00 O ATOM 894 CB ARG A 56 105.440 5.003 -16.481 1.00 0.00 C ATOM 895 CG ARG A 56 104.013 4.430 -16.420 1.00 0.00 C ATOM 896 CD ARG A 56 103.590 3.918 -17.801 1.00 0.00 C ATOM 897 NE ARG A 56 103.590 5.120 -18.697 1.00 0.00 N ATOM 898 CZ ARG A 56 103.608 5.001 -20.011 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.618 3.825 -20.596 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.613 6.077 -20.748 1.00 0.00 N ATOM 0 H ARG A 56 105.604 2.717 -14.704 1.00 0.00 H new ATOM 0 HA ARG A 56 107.146 5.247 -15.143 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.399 6.079 -16.651 1.00 0.00 H new ATOM 0 HB3 ARG A 56 105.977 4.567 -17.323 1.00 0.00 H new ATOM 0 HG2 ARG A 56 103.970 3.618 -15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.319 5.199 -16.080 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.281 3.158 -18.165 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.602 3.458 -17.763 1.00 0.00 H new ATOM 0 HE ARG A 56 103.576 6.051 -18.281 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.612 2.975 -20.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.632 3.762 -21.614 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.603 6.997 -20.307 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.627 5.999 -21.765 1.00 0.00 H new ATOM 914 N ILE A 57 105.489 6.417 -13.580 1.00 0.00 N ATOM 915 CA ILE A 57 104.669 6.935 -12.440 1.00 0.00 C ATOM 916 C ILE A 57 103.585 7.878 -12.976 1.00 0.00 C ATOM 917 O ILE A 57 103.863 8.781 -13.743 1.00 0.00 O ATOM 918 CB ILE A 57 105.651 7.684 -11.524 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.754 6.726 -11.047 1.00 0.00 C ATOM 920 CG2 ILE A 57 104.899 8.225 -10.302 1.00 0.00 C ATOM 921 CD1 ILE A 57 107.913 7.527 -10.442 1.00 0.00 C ATOM 0 H ILE A 57 106.102 7.104 -14.020 1.00 0.00 H new ATOM 0 HA ILE A 57 104.163 6.137 -11.896 1.00 0.00 H new ATOM 0 HB ILE A 57 106.098 8.508 -12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.352 6.035 -10.306 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.113 6.125 -11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.595 8.756 -9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.115 8.908 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.451 7.396 -9.754 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.692 6.843 -10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.322 8.200 -11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.550 8.108 -9.594 1.00 0.00 H new ATOM 933 N LEU A 58 102.354 7.669 -12.574 1.00 0.00 N ATOM 934 CA LEU A 58 101.226 8.479 -13.137 1.00 0.00 C ATOM 935 C LEU A 58 101.116 9.822 -12.397 1.00 0.00 C ATOM 936 O LEU A 58 101.606 9.951 -11.292 1.00 0.00 O ATOM 937 CB LEU A 58 99.966 7.636 -12.912 1.00 0.00 C ATOM 938 CG LEU A 58 100.063 6.337 -13.718 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.047 5.325 -13.184 1.00 0.00 C ATOM 940 CD2 LEU A 58 99.770 6.622 -15.193 1.00 0.00 C ATOM 0 H LEU A 58 102.081 6.973 -11.880 1.00 0.00 H new ATOM 0 HA LEU A 58 101.374 8.707 -14.193 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.853 7.410 -11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.082 8.198 -13.214 1.00 0.00 H new ATOM 0 HG LEU A 58 101.069 5.929 -13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.117 4.401 -13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.258 5.117 -12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.041 5.735 -13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.840 5.696 -15.763 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.766 7.034 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.496 7.340 -15.576 1.00 0.00 H new ATOM 952 N PRO A 59 100.474 10.786 -13.031 1.00 0.00 N ATOM 953 CA PRO A 59 100.338 12.138 -12.419 1.00 0.00 C ATOM 954 C PRO A 59 99.491 12.070 -11.142 1.00 0.00 C ATOM 955 O PRO A 59 98.944 11.035 -10.806 1.00 0.00 O ATOM 956 CB PRO A 59 99.635 12.969 -13.498 1.00 0.00 C ATOM 957 CG PRO A 59 99.000 11.974 -14.417 1.00 0.00 C ATOM 958 CD PRO A 59 99.825 10.717 -14.350 1.00 0.00 C ATOM 0 HA PRO A 59 101.297 12.565 -12.125 1.00 0.00 H new ATOM 0 HB2 PRO A 59 98.888 13.631 -13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 59 100.345 13.600 -14.033 1.00 0.00 H new ATOM 0 HG2 PRO A 59 97.971 11.775 -14.117 1.00 0.00 H new ATOM 0 HG3 PRO A 59 98.966 12.358 -15.436 1.00 0.00 H new ATOM 0 HD2 PRO A 59 99.203 9.826 -14.443 1.00 0.00 H new ATOM 0 HD3 PRO A 59 100.559 10.678 -15.155 1.00 0.00 H new ATOM 966 N LYS A 60 99.384 13.169 -10.434 1.00 0.00 N ATOM 967 CA LYS A 60 98.597 13.177 -9.159 1.00 0.00 C ATOM 968 C LYS A 60 97.104 13.021 -9.458 1.00 0.00 C ATOM 969 O LYS A 60 96.674 13.152 -10.589 1.00 0.00 O ATOM 970 CB LYS A 60 98.876 14.539 -8.514 1.00 0.00 C ATOM 971 CG LYS A 60 100.348 14.620 -8.103 1.00 0.00 C ATOM 972 CD LYS A 60 100.600 15.934 -7.361 1.00 0.00 C ATOM 973 CE LYS A 60 102.094 16.074 -7.060 1.00 0.00 C ATOM 974 NZ LYS A 60 102.164 16.972 -5.875 1.00 0.00 N ATOM 0 H LYS A 60 99.808 14.062 -10.684 1.00 0.00 H new ATOM 0 HA LYS A 60 98.879 12.355 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 60 98.639 15.340 -9.214 1.00 0.00 H new ATOM 0 HB3 LYS A 60 98.236 14.678 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 60 100.605 13.775 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.986 14.560 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.260 16.775 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 60 100.028 15.955 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 60 102.547 15.105 -6.849 1.00 0.00 H new ATOM 0 HE3 LYS A 60 102.630 16.498 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 103.158 17.117 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 101.731 17.889 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 101.651 16.539 -5.081 1.00 0.00 H new ATOM 988 N ASN A 61 96.314 12.745 -8.448 1.00 0.00 N ATOM 989 CA ASN A 61 94.847 12.549 -8.661 1.00 0.00 C ATOM 990 C ASN A 61 94.093 13.857 -8.387 1.00 0.00 C ATOM 991 O ASN A 61 93.097 13.877 -7.684 1.00 0.00 O ATOM 992 CB ASN A 61 94.441 11.464 -7.659 1.00 0.00 C ATOM 993 CG ASN A 61 95.091 10.134 -8.048 1.00 0.00 C ATOM 994 OD1 ASN A 61 95.737 9.500 -7.238 1.00 0.00 O ATOM 995 ND2 ASN A 61 94.945 9.682 -9.264 1.00 0.00 N ATOM 0 H ASN A 61 96.625 12.647 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 61 94.611 12.260 -9.685 1.00 0.00 H new ATOM 0 HB2 ASN A 61 94.749 11.750 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 61 93.356 11.359 -7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 61 95.373 8.797 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 61 94.403 10.214 -9.944 1.00 0.00 H new ATOM 1002 N GLU A 62 94.562 14.950 -8.942 1.00 0.00 N ATOM 1003 CA GLU A 62 93.874 16.267 -8.731 1.00 0.00 C ATOM 1004 C GLU A 62 92.468 16.237 -9.343 1.00 0.00 C ATOM 1005 O GLU A 62 91.550 16.859 -8.840 1.00 0.00 O ATOM 1006 CB GLU A 62 94.745 17.303 -9.446 1.00 0.00 C ATOM 1007 CG GLU A 62 96.091 17.424 -8.729 1.00 0.00 C ATOM 1008 CD GLU A 62 96.936 18.515 -9.394 1.00 0.00 C ATOM 1009 OE1 GLU A 62 96.379 19.546 -9.734 1.00 0.00 O ATOM 1010 OE2 GLU A 62 98.126 18.298 -9.553 1.00 0.00 O ATOM 0 H GLU A 62 95.393 14.988 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 62 93.758 16.499 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 62 94.900 17.009 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 62 94.241 18.269 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 62 95.933 17.664 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 62 96.619 16.471 -8.763 1.00 0.00 H new ATOM 1017 N ILE A 63 92.299 15.516 -10.426 1.00 0.00 N ATOM 1018 CA ILE A 63 90.948 15.393 -11.056 1.00 0.00 C ATOM 1019 C ILE A 63 90.450 13.949 -10.918 1.00 0.00 C ATOM 1020 O ILE A 63 91.204 13.009 -11.087 1.00 0.00 O ATOM 1021 CB ILE A 63 91.150 15.767 -12.536 1.00 0.00 C ATOM 1022 CG1 ILE A 63 91.690 17.201 -12.642 1.00 0.00 C ATOM 1023 CG2 ILE A 63 89.812 15.683 -13.280 1.00 0.00 C ATOM 1024 CD1 ILE A 63 92.161 17.467 -14.074 1.00 0.00 C ATOM 0 H ILE A 63 93.043 15.006 -10.902 1.00 0.00 H new ATOM 0 HA ILE A 63 90.206 16.038 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 63 91.863 15.072 -12.981 1.00 0.00 H new ATOM 0 HG12 ILE A 63 90.914 17.914 -12.365 1.00 0.00 H new ATOM 0 HG13 ILE A 63 92.516 17.342 -11.945 1.00 0.00 H new ATOM 0 HG21 ILE A 63 89.960 15.949 -14.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 89.423 14.667 -13.215 1.00 0.00 H new ATOM 0 HG23 ILE A 63 89.100 16.374 -12.828 1.00 0.00 H new ATOM 0 HD11 ILE A 63 92.544 18.485 -14.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 92.951 16.762 -14.334 1.00 0.00 H new ATOM 0 HD13 ILE A 63 91.324 17.343 -14.761 1.00 0.00 H new ATOM 1036 N MET A 64 89.186 13.773 -10.614 1.00 0.00 N ATOM 1037 CA MET A 64 88.641 12.390 -10.423 1.00 0.00 C ATOM 1038 C MET A 64 88.632 11.633 -11.765 1.00 0.00 C ATOM 1039 O MET A 64 87.946 12.042 -12.684 1.00 0.00 O ATOM 1040 CB MET A 64 87.209 12.587 -9.917 1.00 0.00 C ATOM 1041 CG MET A 64 86.674 11.263 -9.371 1.00 0.00 C ATOM 1042 SD MET A 64 87.443 10.916 -7.769 1.00 0.00 S ATOM 1043 CE MET A 64 86.306 9.609 -7.248 1.00 0.00 C ATOM 0 H MET A 64 88.509 14.526 -10.490 1.00 0.00 H new ATOM 0 HA MET A 64 89.243 11.806 -9.727 1.00 0.00 H new ATOM 0 HB2 MET A 64 87.189 13.349 -9.137 1.00 0.00 H new ATOM 0 HB3 MET A 64 86.572 12.943 -10.727 1.00 0.00 H new ATOM 0 HG2 MET A 64 85.591 11.313 -9.263 1.00 0.00 H new ATOM 0 HG3 MET A 64 86.888 10.456 -10.071 1.00 0.00 H new ATOM 0 HE1 MET A 64 86.599 9.242 -6.264 1.00 0.00 H new ATOM 0 HE2 MET A 64 85.292 10.007 -7.199 1.00 0.00 H new ATOM 0 HE3 MET A 64 86.340 8.790 -7.966 1.00 0.00 H new ATOM 1053 N PRO A 65 89.391 10.552 -11.848 1.00 0.00 N ATOM 1054 CA PRO A 65 89.414 9.744 -13.096 1.00 0.00 C ATOM 1055 C PRO A 65 88.087 8.999 -13.272 1.00 0.00 C ATOM 1056 O PRO A 65 87.376 8.752 -12.315 1.00 0.00 O ATOM 1057 CB PRO A 65 90.565 8.762 -12.880 1.00 0.00 C ATOM 1058 CG PRO A 65 90.733 8.674 -11.398 1.00 0.00 C ATOM 1059 CD PRO A 65 90.282 9.988 -10.819 1.00 0.00 C ATOM 0 HA PRO A 65 89.547 10.350 -13.992 1.00 0.00 H new ATOM 0 HB2 PRO A 65 90.336 7.786 -13.309 1.00 0.00 H new ATOM 0 HB3 PRO A 65 91.478 9.114 -13.359 1.00 0.00 H new ATOM 0 HG2 PRO A 65 90.143 7.852 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 65 91.774 8.477 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 65 89.759 9.847 -9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 65 91.128 10.647 -10.621 1.00 0.00 H new ATOM 1067 N LYS A 66 87.754 8.641 -14.488 1.00 0.00 N ATOM 1068 CA LYS A 66 86.488 7.877 -14.732 1.00 0.00 C ATOM 1069 C LYS A 66 86.620 6.456 -14.177 1.00 0.00 C ATOM 1070 O LYS A 66 87.622 5.795 -14.378 1.00 0.00 O ATOM 1071 CB LYS A 66 86.317 7.844 -16.253 1.00 0.00 C ATOM 1072 CG LYS A 66 84.936 7.284 -16.601 1.00 0.00 C ATOM 1073 CD LYS A 66 84.795 7.183 -18.122 1.00 0.00 C ATOM 1074 CE LYS A 66 83.379 6.721 -18.476 1.00 0.00 C ATOM 1075 NZ LYS A 66 83.409 5.239 -18.328 1.00 0.00 N ATOM 0 H LYS A 66 88.303 8.844 -15.323 1.00 0.00 H new ATOM 0 HA LYS A 66 85.630 8.337 -14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.428 8.848 -16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.095 7.228 -16.703 1.00 0.00 H new ATOM 0 HG2 LYS A 66 84.805 6.302 -16.147 1.00 0.00 H new ATOM 0 HG3 LYS A 66 84.157 7.929 -16.195 1.00 0.00 H new ATOM 0 HD2 LYS A 66 84.998 8.150 -18.581 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.528 6.481 -18.520 1.00 0.00 H new ATOM 0 HE2 LYS A 66 82.640 7.169 -17.812 1.00 0.00 H new ATOM 0 HE3 LYS A 66 83.112 7.011 -19.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 82.511 4.838 -18.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 84.195 4.850 -18.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 83.542 4.993 -17.326 1.00 0.00 H new ATOM 1089 N ASN A 67 85.613 5.986 -13.481 1.00 0.00 N ATOM 1090 CA ASN A 67 85.676 4.614 -12.891 1.00 0.00 C ATOM 1091 C ASN A 67 84.943 3.619 -13.795 1.00 0.00 C ATOM 1092 O ASN A 67 83.848 3.882 -14.258 1.00 0.00 O ATOM 1093 CB ASN A 67 84.971 4.724 -11.535 1.00 0.00 C ATOM 1094 CG ASN A 67 85.749 5.675 -10.620 1.00 0.00 C ATOM 1095 OD1 ASN A 67 85.177 6.574 -10.034 1.00 0.00 O ATOM 1096 ND2 ASN A 67 87.036 5.514 -10.470 1.00 0.00 N ATOM 0 H ASN A 67 84.749 6.495 -13.296 1.00 0.00 H new ATOM 0 HA ASN A 67 86.701 4.259 -12.786 1.00 0.00 H new ATOM 0 HB2 ASN A 67 83.953 5.089 -11.673 1.00 0.00 H new ATOM 0 HB3 ASN A 67 84.897 3.740 -11.073 1.00 0.00 H new ATOM 0 HD21 ASN A 67 87.561 6.142 -9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 67 87.516 4.760 -10.961 1.00 0.00 H new ATOM 1103 N GLY A 68 85.542 2.479 -14.046 1.00 0.00 N ATOM 1104 CA GLY A 68 84.896 1.464 -14.932 1.00 0.00 C ATOM 1105 C GLY A 68 84.928 1.956 -16.379 1.00 0.00 C ATOM 1106 O GLY A 68 83.948 2.463 -16.891 1.00 0.00 O ATOM 0 H GLY A 68 86.452 2.209 -13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 68 85.417 0.510 -14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 68 83.866 1.294 -14.617 1.00 0.00 H new ATOM 1110 N THR A 69 86.052 1.806 -17.043 1.00 0.00 N ATOM 1111 CA THR A 69 86.167 2.276 -18.464 1.00 0.00 C ATOM 1112 C THR A 69 85.190 1.506 -19.362 1.00 0.00 C ATOM 1113 O THR A 69 84.581 2.068 -20.253 1.00 0.00 O ATOM 1114 CB THR A 69 87.614 1.981 -18.875 1.00 0.00 C ATOM 1115 OG1 THR A 69 88.498 2.506 -17.895 1.00 0.00 O ATOM 1116 CG2 THR A 69 87.906 2.633 -20.228 1.00 0.00 C ATOM 0 H THR A 69 86.896 1.378 -16.662 1.00 0.00 H new ATOM 0 HA THR A 69 85.925 3.334 -18.562 1.00 0.00 H new ATOM 0 HB THR A 69 87.757 0.903 -18.955 1.00 0.00 H new ATOM 0 HG1 THR A 69 89.424 2.317 -18.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 88.935 2.422 -20.519 1.00 0.00 H new ATOM 0 HG22 THR A 69 87.227 2.231 -20.980 1.00 0.00 H new ATOM 0 HG23 THR A 69 87.764 3.711 -20.151 1.00 0.00 H new ATOM 1124 N LYS A 70 85.042 0.225 -19.128 1.00 0.00 N ATOM 1125 CA LYS A 70 84.085 -0.589 -19.937 1.00 0.00 C ATOM 1126 C LYS A 70 83.272 -1.513 -19.023 1.00 0.00 C ATOM 1127 O LYS A 70 83.657 -2.638 -18.761 1.00 0.00 O ATOM 1128 CB LYS A 70 84.962 -1.404 -20.890 1.00 0.00 C ATOM 1129 CG LYS A 70 85.637 -0.466 -21.894 1.00 0.00 C ATOM 1130 CD LYS A 70 86.530 -1.279 -22.833 1.00 0.00 C ATOM 1131 CE LYS A 70 85.658 -2.072 -23.809 1.00 0.00 C ATOM 1132 NZ LYS A 70 86.614 -2.659 -24.788 1.00 0.00 N ATOM 0 H LYS A 70 85.546 -0.293 -18.408 1.00 0.00 H new ATOM 0 HA LYS A 70 83.369 0.030 -20.477 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.716 -1.954 -20.326 1.00 0.00 H new ATOM 0 HB3 LYS A 70 84.357 -2.142 -21.416 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.883 0.073 -22.468 1.00 0.00 H new ATOM 0 HG3 LYS A 70 86.230 0.281 -21.367 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.198 -0.615 -23.382 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.159 -1.958 -22.257 1.00 0.00 H new ATOM 0 HE2 LYS A 70 85.094 -2.849 -23.293 1.00 0.00 H new ATOM 0 HE3 LYS A 70 84.932 -1.427 -24.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 86.091 -3.219 -25.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 87.132 -1.895 -25.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.288 -3.274 -24.289 1.00 0.00 H new ATOM 1146 N SER A 71 82.150 -1.040 -18.536 1.00 0.00 N ATOM 1147 CA SER A 71 81.295 -1.878 -17.642 1.00 0.00 C ATOM 1148 C SER A 71 79.818 -1.766 -18.063 1.00 0.00 C ATOM 1149 O SER A 71 79.064 -1.014 -17.471 1.00 0.00 O ATOM 1150 CB SER A 71 81.510 -1.306 -16.239 1.00 0.00 C ATOM 1151 OG SER A 71 81.289 0.097 -16.265 1.00 0.00 O ATOM 0 H SER A 71 81.789 -0.104 -18.721 1.00 0.00 H new ATOM 0 HA SER A 71 81.554 -2.936 -17.689 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.829 -1.780 -15.532 1.00 0.00 H new ATOM 0 HB3 SER A 71 82.523 -1.520 -15.898 1.00 0.00 H new ATOM 0 HG SER A 71 80.389 0.280 -16.607 1.00 0.00 H new ATOM 1157 N PRO A 72 79.445 -2.522 -19.080 1.00 0.00 N ATOM 1158 CA PRO A 72 78.042 -2.486 -19.577 1.00 0.00 C ATOM 1159 C PRO A 72 77.074 -3.034 -18.519 1.00 0.00 C ATOM 1160 O PRO A 72 75.921 -2.646 -18.465 1.00 0.00 O ATOM 1161 CB PRO A 72 78.063 -3.386 -20.815 1.00 0.00 C ATOM 1162 CG PRO A 72 79.278 -4.244 -20.663 1.00 0.00 C ATOM 1163 CD PRO A 72 80.274 -3.461 -19.851 1.00 0.00 C ATOM 0 HA PRO A 72 77.702 -1.475 -19.801 1.00 0.00 H new ATOM 0 HB2 PRO A 72 77.159 -3.992 -20.875 1.00 0.00 H new ATOM 0 HB3 PRO A 72 78.112 -2.795 -21.729 1.00 0.00 H new ATOM 0 HG2 PRO A 72 79.028 -5.181 -20.166 1.00 0.00 H new ATOM 0 HG3 PRO A 72 79.693 -4.501 -21.638 1.00 0.00 H new ATOM 0 HD2 PRO A 72 80.854 -4.111 -19.196 1.00 0.00 H new ATOM 0 HD3 PRO A 72 80.984 -2.935 -20.489 1.00 0.00 H new ATOM 1171 N SER A 73 77.535 -3.932 -17.679 1.00 0.00 N ATOM 1172 CA SER A 73 76.634 -4.543 -16.647 1.00 0.00 C ATOM 1173 C SER A 73 76.163 -3.484 -15.642 1.00 0.00 C ATOM 1174 O SER A 73 75.076 -3.575 -15.103 1.00 0.00 O ATOM 1175 CB SER A 73 77.482 -5.604 -15.943 1.00 0.00 C ATOM 1176 OG SER A 73 78.510 -4.966 -15.196 1.00 0.00 O ATOM 0 H SER A 73 78.498 -4.269 -17.663 1.00 0.00 H new ATOM 0 HA SER A 73 75.738 -4.970 -17.098 1.00 0.00 H new ATOM 0 HB2 SER A 73 76.857 -6.206 -15.283 1.00 0.00 H new ATOM 0 HB3 SER A 73 77.918 -6.283 -16.676 1.00 0.00 H new ATOM 0 HG SER A 73 79.054 -5.644 -14.743 1.00 0.00 H new ATOM 1182 N THR A 74 76.973 -2.482 -15.388 1.00 0.00 N ATOM 1183 CA THR A 74 76.594 -1.436 -14.388 1.00 0.00 C ATOM 1184 C THR A 74 76.660 -0.042 -15.019 1.00 0.00 C ATOM 1185 O THR A 74 77.337 0.169 -16.009 1.00 0.00 O ATOM 1186 CB THR A 74 77.628 -1.565 -13.267 1.00 0.00 C ATOM 1187 OG1 THR A 74 78.934 -1.490 -13.819 1.00 0.00 O ATOM 1188 CG2 THR A 74 77.448 -2.905 -12.552 1.00 0.00 C ATOM 0 H THR A 74 77.881 -2.345 -15.832 1.00 0.00 H new ATOM 0 HA THR A 74 75.575 -1.569 -14.023 1.00 0.00 H new ATOM 0 HB THR A 74 77.489 -0.755 -12.551 1.00 0.00 H new ATOM 0 HG1 THR A 74 79.597 -1.571 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 74 78.186 -2.994 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.446 -2.959 -12.127 1.00 0.00 H new ATOM 0 HG23 THR A 74 77.584 -3.719 -13.264 1.00 0.00 H new ATOM 1196 N ASN A 75 75.961 0.909 -14.447 1.00 0.00 N ATOM 1197 CA ASN A 75 75.998 2.306 -14.974 1.00 0.00 C ATOM 1198 C ASN A 75 76.231 3.294 -13.826 1.00 0.00 C ATOM 1199 O ASN A 75 75.515 3.289 -12.840 1.00 0.00 O ATOM 1200 CB ASN A 75 74.621 2.529 -15.604 1.00 0.00 C ATOM 1201 CG ASN A 75 74.615 3.854 -16.369 1.00 0.00 C ATOM 1202 OD1 ASN A 75 74.041 4.826 -15.919 1.00 0.00 O ATOM 1203 ND2 ASN A 75 75.233 3.935 -17.516 1.00 0.00 N ATOM 0 H ASN A 75 75.363 0.774 -13.632 1.00 0.00 H new ATOM 0 HA ASN A 75 76.803 2.457 -15.693 1.00 0.00 H new ATOM 0 HB2 ASN A 75 74.381 1.707 -16.278 1.00 0.00 H new ATOM 0 HB3 ASN A 75 73.853 2.541 -14.830 1.00 0.00 H new ATOM 0 HD21 ASN A 75 75.234 4.814 -18.034 1.00 0.00 H new ATOM 0 HD22 ASN A 75 75.715 3.120 -17.894 1.00 0.00 H new ATOM 1210 N SER A 76 77.227 4.139 -13.949 1.00 0.00 N ATOM 1211 CA SER A 76 77.531 5.119 -12.861 1.00 0.00 C ATOM 1212 C SER A 76 77.280 6.549 -13.348 1.00 0.00 C ATOM 1213 O SER A 76 77.583 6.889 -14.478 1.00 0.00 O ATOM 1214 CB SER A 76 79.011 4.913 -12.546 1.00 0.00 C ATOM 1215 OG SER A 76 79.373 5.725 -11.436 1.00 0.00 O ATOM 0 H SER A 76 77.844 4.191 -14.760 1.00 0.00 H new ATOM 0 HA SER A 76 76.902 4.969 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 76 79.204 3.864 -12.322 1.00 0.00 H new ATOM 0 HB3 SER A 76 79.619 5.171 -13.413 1.00 0.00 H new ATOM 0 HG SER A 76 80.322 5.594 -11.230 1.00 0.00 H new ATOM 1221 N THR A 77 76.728 7.385 -12.502 1.00 0.00 N ATOM 1222 CA THR A 77 76.460 8.803 -12.897 1.00 0.00 C ATOM 1223 C THR A 77 77.322 9.763 -12.070 1.00 0.00 C ATOM 1224 O THR A 77 76.935 10.888 -11.814 1.00 0.00 O ATOM 1225 CB THR A 77 74.976 9.024 -12.598 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.706 8.652 -11.252 1.00 0.00 O ATOM 1227 CG2 THR A 77 74.127 8.174 -13.545 1.00 0.00 C ATOM 0 H THR A 77 76.450 7.144 -11.550 1.00 0.00 H new ATOM 0 HA THR A 77 76.699 8.988 -13.944 1.00 0.00 H new ATOM 0 HB THR A 77 74.730 10.076 -12.742 1.00 0.00 H new ATOM 0 HG1 THR A 77 73.756 8.794 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 77 73.071 8.334 -13.329 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.334 8.461 -14.576 1.00 0.00 H new ATOM 0 HG23 THR A 77 74.370 7.121 -13.406 1.00 0.00 H new ATOM 1235 N LYS A 78 78.493 9.325 -11.650 1.00 0.00 N ATOM 1236 CA LYS A 78 79.410 10.198 -10.833 1.00 0.00 C ATOM 1237 C LYS A 78 78.677 10.776 -9.613 1.00 0.00 C ATOM 1238 O LYS A 78 78.960 11.877 -9.175 1.00 0.00 O ATOM 1239 CB LYS A 78 79.860 11.322 -11.774 1.00 0.00 C ATOM 1240 CG LYS A 78 80.701 10.737 -12.910 1.00 0.00 C ATOM 1241 CD LYS A 78 81.243 11.871 -13.781 1.00 0.00 C ATOM 1242 CE LYS A 78 81.978 11.285 -14.989 1.00 0.00 C ATOM 1243 NZ LYS A 78 80.912 11.008 -15.990 1.00 0.00 N ATOM 0 H LYS A 78 78.856 8.391 -11.840 1.00 0.00 H new ATOM 0 HA LYS A 78 80.257 9.631 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 78 78.991 11.839 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 78 80.441 12.061 -11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 78 81.525 10.152 -12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 78 80.096 10.059 -13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 78 80.425 12.509 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 78 81.920 12.498 -13.200 1.00 0.00 H new ATOM 0 HE2 LYS A 78 82.715 11.986 -15.381 1.00 0.00 H new ATOM 0 HE3 LYS A 78 82.515 10.375 -14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 81.143 10.139 -16.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 80.001 10.887 -15.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 80.846 11.804 -16.656 1.00 0.00 H new ATOM 1257 N LEU A 79 77.741 10.038 -9.067 1.00 0.00 N ATOM 1258 CA LEU A 79 76.979 10.540 -7.878 1.00 0.00 C ATOM 1259 C LEU A 79 77.893 10.600 -6.650 1.00 0.00 C ATOM 1260 O LEU A 79 77.864 11.554 -5.893 1.00 0.00 O ATOM 1261 CB LEU A 79 75.852 9.525 -7.659 1.00 0.00 C ATOM 1262 CG LEU A 79 74.882 10.054 -6.599 1.00 0.00 C ATOM 1263 CD1 LEU A 79 74.050 11.194 -7.191 1.00 0.00 C ATOM 1264 CD2 LEU A 79 73.953 8.924 -6.151 1.00 0.00 C ATOM 0 H LEU A 79 77.471 9.110 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 79 76.591 11.546 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 79 75.322 9.347 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 79 76.267 8.569 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 79 75.446 10.424 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 79 73.360 11.570 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 79 74.712 11.999 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 79 73.486 10.826 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 79 73.262 9.299 -5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 79 73.389 8.555 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 79 74.545 8.112 -5.729 1.00 0.00 H new ATOM 1276 N LYS A 80 78.702 9.586 -6.451 1.00 0.00 N ATOM 1277 CA LYS A 80 79.612 9.564 -5.259 1.00 0.00 C ATOM 1278 C LYS A 80 80.678 10.658 -5.380 1.00 0.00 C ATOM 1279 O LYS A 80 81.043 11.288 -4.404 1.00 0.00 O ATOM 1280 CB LYS A 80 80.267 8.179 -5.269 1.00 0.00 C ATOM 1281 CG LYS A 80 79.205 7.108 -5.012 1.00 0.00 C ATOM 1282 CD LYS A 80 79.876 5.737 -4.911 1.00 0.00 C ATOM 1283 CE LYS A 80 78.804 4.651 -4.786 1.00 0.00 C ATOM 1284 NZ LYS A 80 79.485 3.519 -4.100 1.00 0.00 N ATOM 0 H LYS A 80 78.772 8.772 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 80 79.068 9.749 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 80 80.752 8.002 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 80 81.043 8.127 -4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 80 78.666 7.329 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 80 78.472 7.107 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.491 5.556 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 80 80.540 5.708 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 80 77.948 5.005 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 80 78.428 4.352 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 78.814 2.734 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 80.291 3.200 -4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 79.826 3.832 -3.169 1.00 0.00 H new ATOM 1298 N SER A 81 81.174 10.886 -6.572 1.00 0.00 N ATOM 1299 CA SER A 81 82.237 11.926 -6.768 1.00 0.00 C ATOM 1300 C SER A 81 81.678 13.329 -6.494 1.00 0.00 C ATOM 1301 O SER A 81 82.406 14.226 -6.107 1.00 0.00 O ATOM 1302 CB SER A 81 82.666 11.800 -8.230 1.00 0.00 C ATOM 1303 OG SER A 81 81.589 12.192 -9.072 1.00 0.00 O ATOM 0 H SER A 81 80.889 10.397 -7.420 1.00 0.00 H new ATOM 0 HA SER A 81 83.074 11.780 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 81 83.538 12.426 -8.420 1.00 0.00 H new ATOM 0 HB3 SER A 81 82.958 10.773 -8.448 1.00 0.00 H new ATOM 0 HG SER A 81 80.740 11.919 -8.666 1.00 0.00 H new ATOM 1309 N ALA A 82 80.395 13.525 -6.694 1.00 0.00 N ATOM 1310 CA ALA A 82 79.788 14.879 -6.468 1.00 0.00 C ATOM 1311 C ALA A 82 79.900 15.280 -4.992 1.00 0.00 C ATOM 1312 O ALA A 82 80.083 16.440 -4.671 1.00 0.00 O ATOM 1313 CB ALA A 82 78.318 14.740 -6.873 1.00 0.00 C ATOM 0 H ALA A 82 79.741 12.806 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 82 80.297 15.651 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 82 77.810 15.694 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 82 78.256 14.445 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 82 77.840 13.981 -6.254 1.00 0.00 H new ATOM 1319 N GLU A 83 79.791 14.326 -4.098 1.00 0.00 N ATOM 1320 CA GLU A 83 79.906 14.637 -2.640 1.00 0.00 C ATOM 1321 C GLU A 83 81.024 13.803 -2.008 1.00 0.00 C ATOM 1322 O GLU A 83 81.094 12.603 -2.199 1.00 0.00 O ATOM 1323 CB GLU A 83 78.550 14.255 -2.042 1.00 0.00 C ATOM 1324 CG GLU A 83 77.465 15.187 -2.587 1.00 0.00 C ATOM 1325 CD GLU A 83 76.126 14.852 -1.930 1.00 0.00 C ATOM 1326 OE1 GLU A 83 75.834 15.431 -0.896 1.00 0.00 O ATOM 1327 OE2 GLU A 83 75.414 14.022 -2.471 1.00 0.00 O ATOM 0 H GLU A 83 79.627 13.343 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 83 80.149 15.684 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 83 78.312 13.220 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 83 78.589 14.323 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 83 77.730 16.226 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 83 77.388 15.079 -3.669 1.00 0.00 H new ATOM 1334 N THR A 84 81.895 14.433 -1.257 1.00 0.00 N ATOM 1335 CA THR A 84 83.002 13.684 -0.585 1.00 0.00 C ATOM 1336 C THR A 84 83.074 14.063 0.896 1.00 0.00 C ATOM 1337 O THR A 84 82.800 15.190 1.270 1.00 0.00 O ATOM 1338 CB THR A 84 84.275 14.121 -1.312 1.00 0.00 C ATOM 1339 OG1 THR A 84 84.350 15.540 -1.322 1.00 0.00 O ATOM 1340 CG2 THR A 84 84.251 13.599 -2.751 1.00 0.00 C ATOM 0 H THR A 84 81.886 15.438 -1.080 1.00 0.00 H new ATOM 0 HA THR A 84 82.857 12.605 -0.630 1.00 0.00 H new ATOM 0 HB THR A 84 85.145 13.714 -0.796 1.00 0.00 H new ATOM 0 HG1 THR A 84 85.166 15.821 -1.786 1.00 0.00 H new ATOM 0 HG21 THR A 84 85.159 13.912 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 84 84.195 12.510 -2.742 1.00 0.00 H new ATOM 0 HG23 THR A 84 83.382 14.003 -3.270 1.00 0.00 H new ATOM 1348 N TYR A 85 83.442 13.129 1.740 1.00 0.00 N ATOM 1349 CA TYR A 85 83.561 13.432 3.203 1.00 0.00 C ATOM 1350 C TYR A 85 84.745 14.373 3.452 1.00 0.00 C ATOM 1351 O TYR A 85 84.658 15.291 4.247 1.00 0.00 O ATOM 1352 CB TYR A 85 83.797 12.078 3.882 1.00 0.00 C ATOM 1353 CG TYR A 85 83.917 12.167 5.386 1.00 0.00 C ATOM 1354 CD1 TYR A 85 82.753 12.218 6.190 1.00 0.00 C ATOM 1355 CD2 TYR A 85 85.197 12.201 5.991 1.00 0.00 C ATOM 1356 CE1 TYR A 85 82.867 12.303 7.599 1.00 0.00 C ATOM 1357 CE2 TYR A 85 85.312 12.285 7.401 1.00 0.00 C ATOM 1358 CZ TYR A 85 84.147 12.336 8.204 1.00 0.00 C ATOM 1359 OH TYR A 85 84.259 12.417 9.577 1.00 0.00 O ATOM 0 H TYR A 85 83.666 12.169 1.479 1.00 0.00 H new ATOM 0 HA TYR A 85 82.671 13.927 3.592 1.00 0.00 H new ATOM 0 HB2 TYR A 85 82.976 11.407 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 85 84.707 11.633 3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 85 81.777 12.192 5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 85 86.085 12.163 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 85 81.978 12.343 8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 85 86.288 12.310 7.863 1.00 0.00 H new ATOM 0 HH TYR A 85 85.206 12.429 9.828 1.00 0.00 H new ATOM 1369 N SER A 86 85.846 14.148 2.776 1.00 0.00 N ATOM 1370 CA SER A 86 87.054 15.005 2.984 1.00 0.00 C ATOM 1371 C SER A 86 87.423 15.727 1.684 1.00 0.00 C ATOM 1372 O SER A 86 87.240 15.200 0.601 1.00 0.00 O ATOM 1373 CB SER A 86 88.161 14.034 3.389 1.00 0.00 C ATOM 1374 OG SER A 86 89.331 14.769 3.721 1.00 0.00 O ATOM 0 H SER A 86 85.959 13.405 2.087 1.00 0.00 H new ATOM 0 HA SER A 86 86.889 15.775 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 86 87.841 13.434 4.241 1.00 0.00 H new ATOM 0 HB3 SER A 86 88.371 13.343 2.573 1.00 0.00 H new ATOM 0 HG SER A 86 90.043 14.149 3.983 1.00 0.00 H new ATOM 1380 N SER A 87 87.940 16.926 1.789 1.00 0.00 N ATOM 1381 CA SER A 87 88.342 17.687 0.563 1.00 0.00 C ATOM 1382 C SER A 87 89.588 17.055 -0.063 1.00 0.00 C ATOM 1383 O SER A 87 90.308 16.315 0.583 1.00 0.00 O ATOM 1384 CB SER A 87 88.648 19.107 1.045 1.00 0.00 C ATOM 1385 OG SER A 87 88.940 19.931 -0.077 1.00 0.00 O ATOM 0 H SER A 87 88.102 17.412 2.671 1.00 0.00 H new ATOM 0 HA SER A 87 87.560 17.680 -0.197 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.796 19.509 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.494 19.096 1.733 1.00 0.00 H new ATOM 0 HG SER A 87 89.135 20.842 0.228 1.00 0.00 H new ATOM 1391 N LYS A 88 89.844 17.342 -1.317 1.00 0.00 N ATOM 1392 CA LYS A 88 91.036 16.751 -2.005 1.00 0.00 C ATOM 1393 C LYS A 88 91.905 17.858 -2.617 1.00 0.00 C ATOM 1394 O LYS A 88 92.518 17.673 -3.653 1.00 0.00 O ATOM 1395 CB LYS A 88 90.463 15.827 -3.094 1.00 0.00 C ATOM 1396 CG LYS A 88 89.612 16.626 -4.093 1.00 0.00 C ATOM 1397 CD LYS A 88 89.035 15.677 -5.146 1.00 0.00 C ATOM 1398 CE LYS A 88 88.402 16.492 -6.276 1.00 0.00 C ATOM 1399 NZ LYS A 88 88.525 15.632 -7.486 1.00 0.00 N ATOM 0 H LYS A 88 89.277 17.962 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 88 91.677 16.202 -1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 88 91.277 15.328 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 88 89.856 15.047 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 88 88.805 17.140 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 88 90.220 17.393 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 88 89.822 15.035 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 88 88.289 15.024 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.359 16.723 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 88 88.917 17.443 -6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 88.112 16.123 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 89.529 15.435 -7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.019 14.737 -7.329 1.00 0.00 H new ATOM 1413 N ASN A 89 91.956 19.004 -1.982 1.00 0.00 N ATOM 1414 CA ASN A 89 92.783 20.130 -2.514 1.00 0.00 C ATOM 1415 C ASN A 89 94.016 20.344 -1.630 1.00 0.00 C ATOM 1416 O ASN A 89 93.945 20.992 -0.601 1.00 0.00 O ATOM 1417 CB ASN A 89 91.868 21.355 -2.461 1.00 0.00 C ATOM 1418 CG ASN A 89 90.717 21.182 -3.457 1.00 0.00 C ATOM 1419 OD1 ASN A 89 90.896 20.626 -4.522 1.00 0.00 O ATOM 1420 ND2 ASN A 89 89.533 21.639 -3.151 1.00 0.00 N ATOM 0 H ASN A 89 91.458 19.208 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 89 93.145 19.935 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 89 91.474 21.483 -1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 89 92.435 22.255 -2.698 1.00 0.00 H new ATOM 0 HD21 ASN A 89 88.759 21.529 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 89 89.382 22.106 -2.257 1.00 0.00 H new ATOM 1427 N LYS A 90 95.142 19.801 -2.026 1.00 0.00 N ATOM 1428 CA LYS A 90 96.390 19.973 -1.221 1.00 0.00 C ATOM 1429 C LYS A 90 97.597 20.152 -2.148 1.00 0.00 C ATOM 1430 O LYS A 90 97.875 19.310 -2.984 1.00 0.00 O ATOM 1431 CB LYS A 90 96.519 18.682 -0.412 1.00 0.00 C ATOM 1432 CG LYS A 90 97.653 18.823 0.606 1.00 0.00 C ATOM 1433 CD LYS A 90 97.831 17.503 1.360 1.00 0.00 C ATOM 1434 CE LYS A 90 98.862 17.687 2.477 1.00 0.00 C ATOM 1435 NZ LYS A 90 99.061 16.325 3.044 1.00 0.00 N ATOM 0 H LYS A 90 95.250 19.245 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 90 96.351 20.853 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 90 95.581 18.468 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 90 96.717 17.842 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 90 98.580 19.092 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 90 97.428 19.627 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 90 96.878 17.181 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 90 98.158 16.721 0.674 1.00 0.00 H new ATOM 0 HE2 LYS A 90 99.796 18.094 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 90 98.502 18.382 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 99.756 16.369 3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 98.157 15.966 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 99.410 15.687 2.301 1.00 0.00 H new ATOM 1449 N TRP A 91 98.311 21.241 -2.003 1.00 0.00 N ATOM 1450 CA TRP A 91 99.521 21.473 -2.851 1.00 0.00 C ATOM 1451 C TRP A 91 100.571 22.273 -2.071 1.00 0.00 C ATOM 1452 O TRP A 91 100.251 22.970 -1.125 1.00 0.00 O ATOM 1453 CB TRP A 91 99.020 22.269 -4.062 1.00 0.00 C ATOM 1454 CG TRP A 91 98.369 23.572 -3.707 1.00 0.00 C ATOM 1455 CD1 TRP A 91 99.030 24.694 -3.335 1.00 0.00 C ATOM 1456 CD2 TRP A 91 96.952 23.904 -3.688 1.00 0.00 C ATOM 1457 NE1 TRP A 91 98.109 25.699 -3.085 1.00 0.00 N ATOM 1458 CE2 TRP A 91 96.814 25.268 -3.287 1.00 0.00 C ATOM 1459 CE3 TRP A 91 95.770 23.165 -3.977 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 95.548 25.882 -3.174 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 94.494 23.778 -3.865 1.00 0.00 C ATOM 1462 CH2 TRP A 91 94.384 25.133 -3.465 1.00 0.00 C ATOM 0 H TRP A 91 98.107 21.981 -1.332 1.00 0.00 H new ATOM 0 HA TRP A 91 99.996 20.539 -3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 91 99.860 22.464 -4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 91 98.308 21.658 -4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 91 100.102 24.790 -3.247 1.00 0.00 H new ATOM 0 HE1 TRP A 91 98.358 26.642 -2.788 1.00 0.00 H new ATOM 0 HE3 TRP A 91 95.844 22.132 -4.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 95.469 26.915 -2.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 93.603 23.209 -4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 91 93.411 25.594 -3.382 1.00 0.00 H new ATOM 1473 N SER A 92 101.817 22.175 -2.463 1.00 0.00 N ATOM 1474 CA SER A 92 102.893 22.947 -1.768 1.00 0.00 C ATOM 1475 C SER A 92 103.192 24.240 -2.534 1.00 0.00 C ATOM 1476 O SER A 92 102.962 25.328 -2.039 1.00 0.00 O ATOM 1477 CB SER A 92 104.111 22.023 -1.772 1.00 0.00 C ATOM 1478 OG SER A 92 104.405 21.637 -3.109 1.00 0.00 O ATOM 0 H SER A 92 102.136 21.592 -3.237 1.00 0.00 H new ATOM 0 HA SER A 92 102.608 23.236 -0.756 1.00 0.00 H new ATOM 0 HB2 SER A 92 104.969 22.531 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 92 103.915 21.141 -1.162 1.00 0.00 H new ATOM 0 HG SER A 92 105.187 21.046 -3.114 1.00 0.00 H new ATOM 1484 N MET A 93 103.704 24.125 -3.737 1.00 0.00 N ATOM 1485 CA MET A 93 103.993 25.340 -4.559 1.00 0.00 C ATOM 1486 C MET A 93 103.792 25.037 -6.049 1.00 0.00 C ATOM 1487 O MET A 93 104.442 25.620 -6.897 1.00 0.00 O ATOM 1488 CB MET A 93 105.459 25.672 -4.276 1.00 0.00 C ATOM 1489 CG MET A 93 105.602 26.191 -2.844 1.00 0.00 C ATOM 1490 SD MET A 93 107.273 26.848 -2.605 1.00 0.00 S ATOM 1491 CE MET A 93 107.117 27.226 -0.841 1.00 0.00 C ATOM 0 H MET A 93 103.934 23.238 -4.185 1.00 0.00 H new ATOM 0 HA MET A 93 103.330 26.169 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 93 106.076 24.785 -4.415 1.00 0.00 H new ATOM 0 HB3 MET A 93 105.815 26.422 -4.982 1.00 0.00 H new ATOM 0 HG2 MET A 93 104.863 26.969 -2.652 1.00 0.00 H new ATOM 0 HG3 MET A 93 105.411 25.387 -2.133 1.00 0.00 H new ATOM 0 HE1 MET A 93 108.052 27.651 -0.476 1.00 0.00 H new ATOM 0 HE2 MET A 93 106.310 27.944 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 93 106.895 26.311 -0.291 1.00 0.00 H new ATOM 1501 N ASP A 94 102.897 24.133 -6.369 1.00 0.00 N ATOM 1502 CA ASP A 94 102.657 23.779 -7.800 1.00 0.00 C ATOM 1503 C ASP A 94 101.386 24.465 -8.310 1.00 0.00 C ATOM 1504 O ASP A 94 100.355 24.437 -7.663 1.00 0.00 O ATOM 1505 CB ASP A 94 102.486 22.259 -7.809 1.00 0.00 C ATOM 1506 CG ASP A 94 102.528 21.745 -9.250 1.00 0.00 C ATOM 1507 OD1 ASP A 94 101.900 22.358 -10.097 1.00 0.00 O ATOM 1508 OD2 ASP A 94 103.190 20.746 -9.481 1.00 0.00 O ATOM 0 H ASP A 94 102.322 23.625 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 94 103.473 24.102 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 94 103.276 21.791 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.539 21.987 -7.343 1.00 0.00 H new ATOM 1513 N CYS A 95 101.455 25.082 -9.473 1.00 0.00 N ATOM 1514 CA CYS A 95 100.264 25.799 -10.055 1.00 0.00 C ATOM 1515 C CYS A 95 99.755 26.887 -9.098 1.00 0.00 C ATOM 1516 O CYS A 95 100.126 26.932 -7.939 1.00 0.00 O ATOM 1517 CB CYS A 95 99.191 24.723 -10.268 1.00 0.00 C ATOM 1518 SG CYS A 95 98.040 25.257 -11.560 1.00 0.00 S ATOM 0 H CYS A 95 102.295 25.120 -10.050 1.00 0.00 H new ATOM 0 HA CYS A 95 100.522 26.301 -10.988 1.00 0.00 H new ATOM 0 HB2 CYS A 95 99.659 23.780 -10.551 1.00 0.00 H new ATOM 0 HB3 CYS A 95 98.651 24.544 -9.338 1.00 0.00 H new ATOM 0 HG CYS A 95 97.134 24.342 -11.739 1.00 0.00 H new ATOM 1524 N ASP A 96 98.908 27.764 -9.583 1.00 0.00 N ATOM 1525 CA ASP A 96 98.335 28.834 -8.704 1.00 0.00 C ATOM 1526 C ASP A 96 97.094 29.453 -9.361 1.00 0.00 C ATOM 1527 O ASP A 96 96.939 29.416 -10.568 1.00 0.00 O ATOM 1528 CB ASP A 96 99.453 29.878 -8.543 1.00 0.00 C ATOM 1529 CG ASP A 96 99.883 30.423 -9.912 1.00 0.00 C ATOM 1530 OD1 ASP A 96 101.018 30.185 -10.293 1.00 0.00 O ATOM 1531 OD2 ASP A 96 99.069 31.067 -10.554 1.00 0.00 O ATOM 0 H ASP A 96 98.588 27.785 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 96 98.016 28.443 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 96 99.106 30.696 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 96 100.309 29.428 -8.039 1.00 0.00 H new ATOM 1536 N GLU A 97 96.216 30.022 -8.571 1.00 0.00 N ATOM 1537 CA GLU A 97 94.997 30.679 -9.136 1.00 0.00 C ATOM 1538 C GLU A 97 94.870 32.106 -8.593 1.00 0.00 C ATOM 1539 O GLU A 97 95.090 32.351 -7.421 1.00 0.00 O ATOM 1540 CB GLU A 97 93.823 29.819 -8.664 1.00 0.00 C ATOM 1541 CG GLU A 97 93.902 28.437 -9.319 1.00 0.00 C ATOM 1542 CD GLU A 97 92.681 27.606 -8.915 1.00 0.00 C ATOM 1543 OE1 GLU A 97 91.592 28.156 -8.895 1.00 0.00 O ATOM 1544 OE2 GLU A 97 92.857 26.432 -8.632 1.00 0.00 O ATOM 0 H GLU A 97 96.292 30.059 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 97 95.034 30.752 -10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 97 93.845 29.720 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 97 92.880 30.301 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 97 93.942 28.539 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 97 94.817 27.930 -9.013 1.00 0.00 H new ATOM 1551 N GLU A 98 94.516 33.043 -9.438 1.00 0.00 N ATOM 1552 CA GLU A 98 94.372 34.463 -8.978 1.00 0.00 C ATOM 1553 C GLU A 98 93.173 34.595 -8.034 1.00 0.00 C ATOM 1554 O GLU A 98 93.218 35.321 -7.059 1.00 0.00 O ATOM 1555 CB GLU A 98 94.148 35.285 -10.252 1.00 0.00 C ATOM 1556 CG GLU A 98 94.186 36.778 -9.915 1.00 0.00 C ATOM 1557 CD GLU A 98 93.842 37.596 -11.162 1.00 0.00 C ATOM 1558 OE1 GLU A 98 92.919 37.213 -11.863 1.00 0.00 O ATOM 1559 OE2 GLU A 98 94.507 38.591 -11.395 1.00 0.00 O ATOM 0 H GLU A 98 94.320 32.888 -10.427 1.00 0.00 H new ATOM 0 HA GLU A 98 95.249 34.805 -8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 98 94.916 35.049 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 98 93.188 35.027 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 98 93.478 36.999 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 98 95.175 37.053 -9.549 1.00 0.00 H new ATOM 1566 N PHE A 99 92.101 33.894 -8.321 1.00 0.00 N ATOM 1567 CA PHE A 99 90.886 33.975 -7.454 1.00 0.00 C ATOM 1568 C PHE A 99 90.691 32.663 -6.689 1.00 0.00 C ATOM 1569 O PHE A 99 90.755 31.589 -7.260 1.00 0.00 O ATOM 1570 CB PHE A 99 89.725 34.210 -8.420 1.00 0.00 C ATOM 1571 CG PHE A 99 88.404 34.442 -7.726 1.00 0.00 C ATOM 1572 CD1 PHE A 99 88.057 35.740 -7.278 1.00 0.00 C ATOM 1573 CD2 PHE A 99 87.512 33.361 -7.524 1.00 0.00 C ATOM 1574 CE1 PHE A 99 86.818 35.956 -6.628 1.00 0.00 C ATOM 1575 CE2 PHE A 99 86.272 33.578 -6.874 1.00 0.00 C ATOM 1576 CZ PHE A 99 85.926 34.876 -6.426 1.00 0.00 C ATOM 0 H PHE A 99 92.017 33.268 -9.122 1.00 0.00 H new ATOM 0 HA PHE A 99 90.964 34.767 -6.709 1.00 0.00 H new ATOM 0 HB2 PHE A 99 89.953 35.071 -9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.633 33.349 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 99 88.737 36.565 -7.432 1.00 0.00 H new ATOM 0 HD2 PHE A 99 87.777 32.371 -7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 99 86.553 36.946 -6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 99 85.591 32.754 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 99 84.981 35.042 -5.930 1.00 0.00 H new ATOM 1586 N ASP A 100 90.454 32.745 -5.402 1.00 0.00 N ATOM 1587 CA ASP A 100 90.233 31.507 -4.588 1.00 0.00 C ATOM 1588 C ASP A 100 88.752 31.377 -4.209 1.00 0.00 C ATOM 1589 O ASP A 100 88.185 32.254 -3.581 1.00 0.00 O ATOM 1590 CB ASP A 100 91.113 31.670 -3.336 1.00 0.00 C ATOM 1591 CG ASP A 100 90.712 32.928 -2.552 1.00 0.00 C ATOM 1592 OD1 ASP A 100 91.224 33.989 -2.872 1.00 0.00 O ATOM 1593 OD2 ASP A 100 89.903 32.806 -1.648 1.00 0.00 O ATOM 0 H ASP A 100 90.404 33.619 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 100 90.495 30.604 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 100 91.014 30.791 -2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 100 92.161 31.736 -3.628 1.00 0.00 H new ATOM 1598 N PHE A 101 88.126 30.289 -4.589 1.00 0.00 N ATOM 1599 CA PHE A 101 86.675 30.097 -4.268 1.00 0.00 C ATOM 1600 C PHE A 101 86.486 29.900 -2.761 1.00 0.00 C ATOM 1601 O PHE A 101 85.602 30.483 -2.158 1.00 0.00 O ATOM 1602 CB PHE A 101 86.251 28.838 -5.028 1.00 0.00 C ATOM 1603 CG PHE A 101 86.304 28.993 -6.530 1.00 0.00 C ATOM 1604 CD1 PHE A 101 85.217 29.586 -7.219 1.00 0.00 C ATOM 1605 CD2 PHE A 101 87.440 28.547 -7.248 1.00 0.00 C ATOM 1606 CE1 PHE A 101 85.268 29.732 -8.627 1.00 0.00 C ATOM 1607 CE2 PHE A 101 87.490 28.693 -8.656 1.00 0.00 C ATOM 1608 CZ PHE A 101 86.405 29.285 -9.346 1.00 0.00 C ATOM 0 H PHE A 101 88.557 29.524 -5.108 1.00 0.00 H new ATOM 0 HA PHE A 101 86.078 30.962 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 101 86.897 28.011 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 101 85.236 28.571 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 101 84.351 29.926 -6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 101 88.268 28.096 -6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 101 84.440 30.184 -9.153 1.00 0.00 H new ATOM 0 HE2 PHE A 101 88.356 28.352 -9.203 1.00 0.00 H new ATOM 0 HZ PHE A 101 86.443 29.396 -10.420 1.00 0.00 H new ATOM 1618 N ALA A 102 87.310 29.082 -2.151 1.00 0.00 N ATOM 1619 CA ALA A 102 87.190 28.834 -0.681 1.00 0.00 C ATOM 1620 C ALA A 102 88.392 29.430 0.057 1.00 0.00 C ATOM 1621 O ALA A 102 89.512 29.366 -0.416 1.00 0.00 O ATOM 1622 CB ALA A 102 87.170 27.313 -0.535 1.00 0.00 C ATOM 0 H ALA A 102 88.064 28.573 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 102 86.298 29.295 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 102 87.084 27.050 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 102 86.319 26.906 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 102 88.093 26.897 -0.938 1.00 0.00 H new ATOM 1628 N ALA A 103 88.164 30.008 1.211 1.00 0.00 N ATOM 1629 CA ALA A 103 89.288 30.598 2.000 1.00 0.00 C ATOM 1630 C ALA A 103 88.885 30.746 3.470 1.00 0.00 C ATOM 1631 O ALA A 103 87.727 30.949 3.786 1.00 0.00 O ATOM 1632 CB ALA A 103 89.533 31.971 1.372 1.00 0.00 C ATOM 0 H ALA A 103 87.243 30.096 1.641 1.00 0.00 H new ATOM 0 HA ALA A 103 90.180 29.972 1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 103 90.347 32.471 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 103 89.799 31.849 0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 103 88.628 32.573 1.449 1.00 0.00 H new ATOM 1638 N ASN A 104 89.836 30.643 4.367 1.00 0.00 N ATOM 1639 CA ASN A 104 89.529 30.802 5.822 1.00 0.00 C ATOM 1640 C ASN A 104 90.460 31.846 6.448 1.00 0.00 C ATOM 1641 O ASN A 104 90.026 32.906 6.859 1.00 0.00 O ATOM 1642 CB ASN A 104 89.778 29.421 6.433 1.00 0.00 C ATOM 1643 CG ASN A 104 88.587 28.508 6.135 1.00 0.00 C ATOM 1644 OD1 ASN A 104 88.731 27.493 5.485 1.00 0.00 O ATOM 1645 ND2 ASN A 104 87.406 28.829 6.589 1.00 0.00 N ATOM 0 H ASN A 104 90.815 30.455 4.152 1.00 0.00 H new ATOM 0 HA ASN A 104 88.509 31.144 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 104 90.692 28.990 6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 104 89.922 29.509 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 104 86.605 28.227 6.397 1.00 0.00 H new ATOM 0 HD22 ASN A 104 87.284 29.682 7.135 1.00 0.00 H new ATOM 1652 N LEU A 105 91.743 31.550 6.521 1.00 0.00 N ATOM 1653 CA LEU A 105 92.737 32.510 7.118 1.00 0.00 C ATOM 1654 C LEU A 105 92.281 32.980 8.510 1.00 0.00 C ATOM 1655 O LEU A 105 91.674 34.028 8.653 1.00 0.00 O ATOM 1656 CB LEU A 105 92.809 33.697 6.137 1.00 0.00 C ATOM 1657 CG LEU A 105 93.846 33.433 5.027 1.00 0.00 C ATOM 1658 CD1 LEU A 105 95.245 33.293 5.633 1.00 0.00 C ATOM 1659 CD2 LEU A 105 93.488 32.152 4.262 1.00 0.00 C ATOM 0 H LEU A 105 92.147 30.675 6.189 1.00 0.00 H new ATOM 0 HA LEU A 105 93.711 32.041 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 105 91.829 33.865 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 105 93.073 34.605 6.678 1.00 0.00 H new ATOM 0 HG LEU A 105 93.837 34.277 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 105 95.968 33.107 4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 105 95.509 34.212 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 105 95.255 32.460 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 105 94.227 31.976 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 105 93.480 31.307 4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 105 92.502 32.261 3.810 1.00 0.00 H new ATOM 1671 N GLU A 106 92.570 32.209 9.531 1.00 0.00 N ATOM 1672 CA GLU A 106 92.167 32.601 10.918 1.00 0.00 C ATOM 1673 C GLU A 106 93.394 32.639 11.832 1.00 0.00 C ATOM 1674 O GLU A 106 94.303 31.840 11.697 1.00 0.00 O ATOM 1675 CB GLU A 106 91.194 31.511 11.372 1.00 0.00 C ATOM 1676 CG GLU A 106 89.915 31.579 10.531 1.00 0.00 C ATOM 1677 CD GLU A 106 88.895 30.561 11.053 1.00 0.00 C ATOM 1678 OE1 GLU A 106 87.716 30.874 11.032 1.00 0.00 O ATOM 1679 OE2 GLU A 106 89.307 29.486 11.458 1.00 0.00 O ATOM 0 H GLU A 106 93.069 31.322 9.463 1.00 0.00 H new ATOM 0 HA GLU A 106 91.713 33.591 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 106 91.657 30.530 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 106 90.954 31.640 12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 106 89.494 32.584 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 106 90.145 31.374 9.486 1.00 0.00 H new ATOM 1686 N LYS A 107 93.423 33.564 12.764 1.00 0.00 N ATOM 1687 CA LYS A 107 94.583 33.655 13.710 1.00 0.00 C ATOM 1688 C LYS A 107 94.639 32.413 14.604 1.00 0.00 C ATOM 1689 O LYS A 107 95.705 31.945 14.962 1.00 0.00 O ATOM 1690 CB LYS A 107 94.328 34.909 14.552 1.00 0.00 C ATOM 1691 CG LYS A 107 94.416 36.151 13.662 1.00 0.00 C ATOM 1692 CD LYS A 107 94.280 37.407 14.523 1.00 0.00 C ATOM 1693 CE LYS A 107 94.263 38.645 13.623 1.00 0.00 C ATOM 1694 NZ LYS A 107 92.858 38.747 13.138 1.00 0.00 N ATOM 0 H LYS A 107 92.692 34.261 12.910 1.00 0.00 H new ATOM 0 HA LYS A 107 95.534 33.711 13.181 1.00 0.00 H new ATOM 0 HB2 LYS A 107 93.345 34.852 15.019 1.00 0.00 H new ATOM 0 HB3 LYS A 107 95.060 34.974 15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 107 95.367 36.163 13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.629 36.127 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 107 93.364 37.360 15.111 1.00 0.00 H new ATOM 0 HD3 LYS A 107 95.109 37.469 15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 107 94.556 39.538 14.174 1.00 0.00 H new ATOM 0 HE3 LYS A 107 94.961 38.539 12.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 92.857 38.977 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 92.372 37.840 13.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 92.363 39.496 13.663 1.00 0.00 H new ATOM 1708 N PHE A 108 93.497 31.880 14.967 1.00 0.00 N ATOM 1709 CA PHE A 108 93.465 30.663 15.835 1.00 0.00 C ATOM 1710 C PHE A 108 92.780 29.508 15.099 1.00 0.00 C ATOM 1711 O PHE A 108 91.962 29.720 14.224 1.00 0.00 O ATOM 1712 CB PHE A 108 92.653 31.073 17.063 1.00 0.00 C ATOM 1713 CG PHE A 108 93.297 32.175 17.871 1.00 0.00 C ATOM 1714 CD1 PHE A 108 94.237 31.855 18.881 1.00 0.00 C ATOM 1715 CD2 PHE A 108 92.963 33.528 17.619 1.00 0.00 C ATOM 1716 CE1 PHE A 108 94.842 32.886 19.640 1.00 0.00 C ATOM 1717 CE2 PHE A 108 93.568 34.560 18.377 1.00 0.00 C ATOM 1718 CZ PHE A 108 94.507 34.239 19.388 1.00 0.00 C ATOM 0 H PHE A 108 92.581 32.239 14.697 1.00 0.00 H new ATOM 0 HA PHE A 108 94.464 30.321 16.104 1.00 0.00 H new ATOM 0 HB2 PHE A 108 91.664 31.399 16.742 1.00 0.00 H new ATOM 0 HB3 PHE A 108 92.510 30.201 17.702 1.00 0.00 H new ATOM 0 HD1 PHE A 108 94.493 30.823 19.072 1.00 0.00 H new ATOM 0 HD2 PHE A 108 92.247 33.773 16.849 1.00 0.00 H new ATOM 0 HE1 PHE A 108 95.558 32.641 20.410 1.00 0.00 H new ATOM 0 HE2 PHE A 108 93.314 35.592 18.184 1.00 0.00 H new ATOM 0 HZ PHE A 108 94.968 35.026 19.967 1.00 0.00 H new ATOM 1728 N ASP A 109 93.112 28.290 15.452 1.00 0.00 N ATOM 1729 CA ASP A 109 92.494 27.110 14.774 1.00 0.00 C ATOM 1730 C ASP A 109 92.488 25.902 15.716 1.00 0.00 C ATOM 1731 O ASP A 109 93.158 25.896 16.732 1.00 0.00 O ATOM 1732 CB ASP A 109 93.386 26.839 13.561 1.00 0.00 C ATOM 1733 CG ASP A 109 92.681 25.866 12.614 1.00 0.00 C ATOM 1734 OD1 ASP A 109 91.499 26.051 12.376 1.00 0.00 O ATOM 1735 OD2 ASP A 109 93.335 24.952 12.141 1.00 0.00 O ATOM 0 H ASP A 109 93.786 28.063 16.183 1.00 0.00 H new ATOM 0 HA ASP A 109 91.459 27.294 14.487 1.00 0.00 H new ATOM 0 HB2 ASP A 109 93.606 27.772 13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 109 94.340 26.422 13.884 1.00 0.00 H new ATOM 1740 N LYS A 110 91.733 24.883 15.382 1.00 0.00 N ATOM 1741 CA LYS A 110 91.677 23.664 16.253 1.00 0.00 C ATOM 1742 C LYS A 110 93.007 22.909 16.184 1.00 0.00 C ATOM 1743 O LYS A 110 93.555 22.701 15.117 1.00 0.00 O ATOM 1744 CB LYS A 110 90.544 22.807 15.683 1.00 0.00 C ATOM 1745 CG LYS A 110 90.243 21.652 16.642 1.00 0.00 C ATOM 1746 CD LYS A 110 89.479 22.181 17.856 1.00 0.00 C ATOM 1747 CE LYS A 110 89.103 21.014 18.773 1.00 0.00 C ATOM 1748 NZ LYS A 110 87.897 21.480 19.512 1.00 0.00 N ATOM 0 H LYS A 110 91.153 24.842 14.544 1.00 0.00 H new ATOM 0 HA LYS A 110 91.503 23.915 17.299 1.00 0.00 H new ATOM 0 HB2 LYS A 110 89.651 23.415 15.539 1.00 0.00 H new ATOM 0 HB3 LYS A 110 90.826 22.417 14.705 1.00 0.00 H new ATOM 0 HG2 LYS A 110 89.655 20.888 16.134 1.00 0.00 H new ATOM 0 HG3 LYS A 110 91.172 21.179 16.961 1.00 0.00 H new ATOM 0 HD2 LYS A 110 90.092 22.901 18.399 1.00 0.00 H new ATOM 0 HD3 LYS A 110 88.581 22.707 17.533 1.00 0.00 H new ATOM 0 HE2 LYS A 110 88.890 20.113 18.198 1.00 0.00 H new ATOM 0 HE3 LYS A 110 89.916 20.771 19.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 87.578 20.734 20.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 88.132 22.335 20.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 87.138 21.697 18.835 1.00 0.00 H new ATOM 1762 N LYS A 111 93.526 22.498 17.316 1.00 0.00 N ATOM 1763 CA LYS A 111 94.832 21.772 17.332 1.00 0.00 C ATOM 1764 C LYS A 111 94.598 20.259 17.359 1.00 0.00 C ATOM 1765 O LYS A 111 93.742 19.769 18.073 1.00 0.00 O ATOM 1766 CB LYS A 111 95.529 22.229 18.616 1.00 0.00 C ATOM 1767 CG LYS A 111 95.885 23.713 18.506 1.00 0.00 C ATOM 1768 CD LYS A 111 96.681 24.139 19.741 1.00 0.00 C ATOM 1769 CE LYS A 111 96.939 25.647 19.687 1.00 0.00 C ATOM 1770 NZ LYS A 111 98.143 25.861 20.537 1.00 0.00 N ATOM 0 H LYS A 111 93.099 22.635 18.232 1.00 0.00 H new ATOM 0 HA LYS A 111 95.430 21.985 16.446 1.00 0.00 H new ATOM 0 HB2 LYS A 111 94.878 22.063 19.474 1.00 0.00 H new ATOM 0 HB3 LYS A 111 96.431 21.640 18.782 1.00 0.00 H new ATOM 0 HG2 LYS A 111 96.470 23.892 17.604 1.00 0.00 H new ATOM 0 HG3 LYS A 111 94.977 24.310 18.421 1.00 0.00 H new ATOM 0 HD2 LYS A 111 96.130 23.886 20.647 1.00 0.00 H new ATOM 0 HD3 LYS A 111 97.627 23.599 19.781 1.00 0.00 H new ATOM 0 HE2 LYS A 111 97.113 25.982 18.664 1.00 0.00 H new ATOM 0 HE3 LYS A 111 96.084 26.208 20.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 98.383 26.873 20.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 97.945 25.539 21.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 98.942 25.320 20.149 1.00 0.00 H new ATOM 1784 N GLN A 112 95.353 19.520 16.582 1.00 0.00 N ATOM 1785 CA GLN A 112 95.196 18.034 16.557 1.00 0.00 C ATOM 1786 C GLN A 112 96.561 17.357 16.709 1.00 0.00 C ATOM 1787 O GLN A 112 97.590 17.968 16.492 1.00 0.00 O ATOM 1788 CB GLN A 112 94.592 17.719 15.186 1.00 0.00 C ATOM 1789 CG GLN A 112 93.173 18.288 15.107 1.00 0.00 C ATOM 1790 CD GLN A 112 92.545 17.916 13.762 1.00 0.00 C ATOM 1791 OE1 GLN A 112 92.763 16.834 13.255 1.00 0.00 O ATOM 1792 NE2 GLN A 112 91.769 18.774 13.159 1.00 0.00 N ATOM 0 H GLN A 112 96.075 19.886 15.961 1.00 0.00 H new ATOM 0 HA GLN A 112 94.568 17.672 17.371 1.00 0.00 H new ATOM 0 HB2 GLN A 112 95.211 18.147 14.398 1.00 0.00 H new ATOM 0 HB3 GLN A 112 94.572 16.641 15.025 1.00 0.00 H new ATOM 0 HG2 GLN A 112 92.567 17.896 15.924 1.00 0.00 H new ATOM 0 HG3 GLN A 112 93.198 19.372 15.221 1.00 0.00 H new ATOM 0 HE21 GLN A 112 91.586 19.683 13.585 1.00 0.00 H new ATOM 0 HE22 GLN A 112 91.346 18.536 12.262 1.00 0.00 H new ATOM 1801 N VAL A 113 96.572 16.100 17.083 1.00 0.00 N ATOM 1802 CA VAL A 113 97.869 15.372 17.258 1.00 0.00 C ATOM 1803 C VAL A 113 98.080 14.404 16.086 1.00 0.00 C ATOM 1804 O VAL A 113 97.208 13.623 15.752 1.00 0.00 O ATOM 1805 CB VAL A 113 97.730 14.604 18.583 1.00 0.00 C ATOM 1806 CG1 VAL A 113 99.026 13.842 18.881 1.00 0.00 C ATOM 1807 CG2 VAL A 113 97.460 15.588 19.728 1.00 0.00 C ATOM 0 H VAL A 113 95.737 15.546 17.275 1.00 0.00 H new ATOM 0 HA VAL A 113 98.726 16.046 17.278 1.00 0.00 H new ATOM 0 HB VAL A 113 96.901 13.902 18.496 1.00 0.00 H new ATOM 0 HG11 VAL A 113 98.921 13.300 19.821 1.00 0.00 H new ATOM 0 HG12 VAL A 113 99.226 13.136 18.075 1.00 0.00 H new ATOM 0 HG13 VAL A 113 99.853 14.548 18.959 1.00 0.00 H new ATOM 0 HG21 VAL A 113 97.362 15.039 20.664 1.00 0.00 H new ATOM 0 HG22 VAL A 113 98.288 16.292 19.805 1.00 0.00 H new ATOM 0 HG23 VAL A 113 96.537 16.133 19.529 1.00 0.00 H new ATOM 1817 N PHE A 114 99.233 14.456 15.464 1.00 0.00 N ATOM 1818 CA PHE A 114 99.519 13.546 14.313 1.00 0.00 C ATOM 1819 C PHE A 114 100.869 12.850 14.510 1.00 0.00 C ATOM 1820 O PHE A 114 101.758 13.378 15.151 1.00 0.00 O ATOM 1821 CB PHE A 114 99.560 14.459 13.088 1.00 0.00 C ATOM 1822 CG PHE A 114 99.743 13.714 11.786 1.00 0.00 C ATOM 1823 CD1 PHE A 114 98.624 13.135 11.138 1.00 0.00 C ATOM 1824 CD2 PHE A 114 101.033 13.595 11.213 1.00 0.00 C ATOM 1825 CE1 PHE A 114 98.796 12.437 9.918 1.00 0.00 C ATOM 1826 CE2 PHE A 114 101.204 12.897 9.994 1.00 0.00 C ATOM 1827 CZ PHE A 114 100.086 12.317 9.345 1.00 0.00 C ATOM 0 H PHE A 114 99.992 15.093 15.706 1.00 0.00 H new ATOM 0 HA PHE A 114 98.770 12.761 14.212 1.00 0.00 H new ATOM 0 HB2 PHE A 114 98.635 15.033 13.042 1.00 0.00 H new ATOM 0 HB3 PHE A 114 100.374 15.175 13.205 1.00 0.00 H new ATOM 0 HD1 PHE A 114 97.640 13.226 11.574 1.00 0.00 H new ATOM 0 HD2 PHE A 114 101.886 14.037 11.706 1.00 0.00 H new ATOM 0 HE1 PHE A 114 97.943 11.996 9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 114 102.188 12.806 9.558 1.00 0.00 H new ATOM 0 HZ PHE A 114 100.217 11.784 8.415 1.00 0.00 H new ATOM 1837 N ALA A 115 101.023 11.669 13.961 1.00 0.00 N ATOM 1838 CA ALA A 115 102.319 10.938 14.088 1.00 0.00 C ATOM 1839 C ALA A 115 103.167 11.148 12.831 1.00 0.00 C ATOM 1840 O ALA A 115 102.670 11.084 11.722 1.00 0.00 O ATOM 1841 CB ALA A 115 101.932 9.465 14.235 1.00 0.00 C ATOM 0 H ALA A 115 100.303 11.180 13.429 1.00 0.00 H new ATOM 0 HA ALA A 115 102.911 11.289 14.934 1.00 0.00 H new ATOM 0 HB1 ALA A 115 102.833 8.860 14.334 1.00 0.00 H new ATOM 0 HB2 ALA A 115 101.311 9.339 15.122 1.00 0.00 H new ATOM 0 HB3 ALA A 115 101.375 9.145 13.354 1.00 0.00 H new ATOM 1847 N GLU A 116 104.443 11.398 13.000 1.00 0.00 N ATOM 1848 CA GLU A 116 105.333 11.631 11.820 1.00 0.00 C ATOM 1849 C GLU A 116 106.798 11.371 12.195 1.00 0.00 C ATOM 1850 O GLU A 116 107.697 12.031 11.706 1.00 0.00 O ATOM 1851 CB GLU A 116 105.114 13.102 11.427 1.00 0.00 C ATOM 1852 CG GLU A 116 105.468 14.030 12.596 1.00 0.00 C ATOM 1853 CD GLU A 116 105.113 15.472 12.230 1.00 0.00 C ATOM 1854 OE1 GLU A 116 105.801 16.037 11.395 1.00 0.00 O ATOM 1855 OE2 GLU A 116 104.160 15.987 12.789 1.00 0.00 O ATOM 0 H GLU A 116 104.907 11.451 13.907 1.00 0.00 H new ATOM 0 HA GLU A 116 105.102 10.960 10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 116 105.728 13.348 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 116 104.075 13.256 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 116 104.925 13.727 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 116 106.531 13.953 12.826 1.00 0.00 H new ATOM 1862 N PHE A 117 107.038 10.415 13.061 1.00 0.00 N ATOM 1863 CA PHE A 117 108.445 10.092 13.468 1.00 0.00 C ATOM 1864 C PHE A 117 109.238 9.563 12.268 1.00 0.00 C ATOM 1865 O PHE A 117 110.401 9.877 12.096 1.00 0.00 O ATOM 1866 CB PHE A 117 108.322 9.011 14.545 1.00 0.00 C ATOM 1867 CG PHE A 117 109.641 8.643 15.182 1.00 0.00 C ATOM 1868 CD1 PHE A 117 110.381 7.539 14.692 1.00 0.00 C ATOM 1869 CD2 PHE A 117 110.138 9.401 16.271 1.00 0.00 C ATOM 1870 CE1 PHE A 117 111.617 7.193 15.291 1.00 0.00 C ATOM 1871 CE2 PHE A 117 111.374 9.055 16.869 1.00 0.00 C ATOM 1872 CZ PHE A 117 112.113 7.952 16.380 1.00 0.00 C ATOM 0 H PHE A 117 106.320 9.843 13.505 1.00 0.00 H new ATOM 0 HA PHE A 117 108.972 10.972 13.837 1.00 0.00 H new ATOM 0 HB2 PHE A 117 107.637 9.357 15.319 1.00 0.00 H new ATOM 0 HB3 PHE A 117 107.879 8.118 14.104 1.00 0.00 H new ATOM 0 HD1 PHE A 117 110.003 6.961 13.862 1.00 0.00 H new ATOM 0 HD2 PHE A 117 109.574 10.243 16.645 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.181 6.351 14.918 1.00 0.00 H new ATOM 0 HE2 PHE A 117 111.753 9.633 17.699 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.055 7.688 16.837 1.00 0.00 H new ATOM 1882 N ARG A 118 108.610 8.761 11.439 1.00 0.00 N ATOM 1883 CA ARG A 118 109.313 8.207 10.234 1.00 0.00 C ATOM 1884 C ARG A 118 109.717 9.340 9.282 1.00 0.00 C ATOM 1885 O ARG A 118 110.759 9.289 8.655 1.00 0.00 O ATOM 1886 CB ARG A 118 108.294 7.281 9.561 1.00 0.00 C ATOM 1887 CG ARG A 118 108.981 6.487 8.446 1.00 0.00 C ATOM 1888 CD ARG A 118 107.957 5.570 7.768 1.00 0.00 C ATOM 1889 NE ARG A 118 107.034 6.487 7.024 1.00 0.00 N ATOM 1890 CZ ARG A 118 105.853 6.079 6.599 1.00 0.00 C ATOM 1891 NH1 ARG A 118 105.436 4.849 6.800 1.00 0.00 N ATOM 1892 NH2 ARG A 118 105.083 6.915 5.959 1.00 0.00 N ATOM 0 H ARG A 118 107.640 8.465 11.544 1.00 0.00 H new ATOM 0 HA ARG A 118 110.227 7.678 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 118 107.866 6.600 10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 118 107.471 7.866 9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 118 109.416 7.168 7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 118 109.799 5.896 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 118 108.445 4.869 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 118 107.413 4.977 8.503 1.00 0.00 H new ATOM 0 HE ARG A 118 107.325 7.448 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 118 106.030 4.184 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 118 104.519 4.560 6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 118 105.396 7.871 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 118 104.168 6.612 5.625 1.00 0.00 H new ATOM 1906 N GLU A 119 108.896 10.357 9.175 1.00 0.00 N ATOM 1907 CA GLU A 119 109.216 11.499 8.255 1.00 0.00 C ATOM 1908 C GLU A 119 110.463 12.244 8.743 1.00 0.00 C ATOM 1909 O GLU A 119 111.258 12.721 7.954 1.00 0.00 O ATOM 1910 CB GLU A 119 107.989 12.415 8.301 1.00 0.00 C ATOM 1911 CG GLU A 119 108.121 13.505 7.234 1.00 0.00 C ATOM 1912 CD GLU A 119 106.957 14.492 7.360 1.00 0.00 C ATOM 1913 OE1 GLU A 119 106.630 14.855 8.478 1.00 0.00 O ATOM 1914 OE2 GLU A 119 106.411 14.868 6.335 1.00 0.00 O ATOM 0 H GLU A 119 108.017 10.447 9.685 1.00 0.00 H new ATOM 0 HA GLU A 119 109.427 11.158 7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 119 107.082 11.834 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 119 107.897 12.868 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 119 109.070 14.029 7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 119 108.125 13.057 6.240 1.00 0.00 H new ATOM 1921 N LYS A 120 110.636 12.343 10.041 1.00 0.00 N ATOM 1922 CA LYS A 120 111.838 13.049 10.596 1.00 0.00 C ATOM 1923 C LYS A 120 113.119 12.289 10.231 1.00 0.00 C ATOM 1924 O LYS A 120 114.157 12.883 10.005 1.00 0.00 O ATOM 1925 CB LYS A 120 111.641 13.064 12.115 1.00 0.00 C ATOM 1926 CG LYS A 120 110.443 13.949 12.467 1.00 0.00 C ATOM 1927 CD LYS A 120 110.323 14.064 13.988 1.00 0.00 C ATOM 1928 CE LYS A 120 109.066 14.863 14.342 1.00 0.00 C ATOM 1929 NZ LYS A 120 109.463 16.290 14.194 1.00 0.00 N ATOM 0 H LYS A 120 109.997 11.965 10.741 1.00 0.00 H new ATOM 0 HA LYS A 120 111.937 14.056 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 120 111.478 12.050 12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 120 112.540 13.439 12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 120 110.566 14.938 12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 120 109.529 13.525 12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 120 110.274 13.071 14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 120 111.206 14.555 14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 120 108.239 14.612 13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 120 108.735 14.649 15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 109.590 16.714 15.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 110.356 16.349 13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 108.721 16.805 13.679 1.00 0.00 H new ATOM 1943 N ASP A 121 113.047 10.981 10.174 1.00 0.00 N ATOM 1944 CA ASP A 121 114.253 10.169 9.827 1.00 0.00 C ATOM 1945 C ASP A 121 113.861 9.012 8.905 1.00 0.00 C ATOM 1946 O ASP A 121 113.058 8.193 9.322 1.00 0.00 O ATOM 1947 CB ASP A 121 114.770 9.640 11.165 1.00 0.00 C ATOM 1948 CG ASP A 121 116.140 8.988 10.962 1.00 0.00 C ATOM 1949 OD1 ASP A 121 117.124 9.708 10.973 1.00 0.00 O ATOM 1950 OD2 ASP A 121 116.180 7.779 10.798 1.00 0.00 O ATOM 1951 OXT ASP A 121 114.372 8.964 7.798 1.00 0.00 O ATOM 0 H ASP A 121 112.201 10.440 10.354 1.00 0.00 H new ATOM 0 HA ASP A 121 115.009 10.752 9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 121 114.846 10.455 11.885 1.00 0.00 H new ATOM 0 HB3 ASP A 121 114.068 8.915 11.577 1.00 0.00 H new TER 1956 ASP A 121