USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 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 75 ASN : amide:sc= -1.01 K(o=-1,f=-5.8!) USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= -1.03 K(o=0.072,f=-4!) USER MOD Set 2.2: A 19 SER OG : rot -93:sc= 1.1 USER MOD Set 3.1: A 7 TYR OH : rot 13:sc= 0.706 USER MOD Set 3.2: A 27 ASN : amide:sc=-0.00506 X(o=0.7,f=0.58) USER MOD Single : A 1 MET CE :methyl -145:sc= -0.237 (180deg=-1.41!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 124:sc= -0.114 (180deg=-0.764) USER MOD Single : A -3 GLY N :NH3+ -123:sc= 0.0998 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.121 K(o=-0.12,f=-3!) USER MOD Single : A 16 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -57:sc= -0.0191 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00705 USER MOD Single : A 32 ASN : amide:sc= -4.24! C(o=-4.2!,f=-10!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.548 K(o=-0.55,f=-5.3!) USER MOD Single : A 41 ASN : amide:sc= -0.62 K(o=-0.62,f=-4!) USER MOD Single : A 43 SER OG : rot 68:sc= 0.106 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 20:sc= 0.979! USER MOD Single : A 49 THR OG1 : rot -82:sc= -0.0139 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= -0.0706 (180deg=-0.135) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00972) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0042 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0921 USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= -0.0182 (180deg=-0.126) USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-9.16e-06) USER MOD Single : A 81 SER OG : rot 170:sc= -0.0151 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+ -135:sc= 0 (180deg=-0.122) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.053) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -127:sc= 0.447 (180deg=-0.106) USER MOD Single : A 111 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0752) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 117.468 15.839 -8.298 1.00 0.00 N ATOM 2 CA GLY A -3 116.765 14.980 -7.303 1.00 0.00 C ATOM 3 C GLY A -3 117.667 14.762 -6.087 1.00 0.00 C ATOM 4 O GLY A -3 118.669 15.434 -5.922 1.00 0.00 O ATOM 0 H1 GLY A -3 116.892 16.681 -8.498 1.00 0.00 H new ATOM 0 H2 GLY A -3 118.389 16.133 -7.914 1.00 0.00 H new ATOM 0 H3 GLY A -3 117.615 15.303 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A -3 115.831 15.451 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A -3 116.506 14.022 -7.753 1.00 0.00 H new ATOM 10 N ALA A -2 117.316 13.827 -5.237 1.00 0.00 N ATOM 11 CA ALA A -2 118.147 13.554 -4.025 1.00 0.00 C ATOM 12 C ALA A -2 119.019 12.316 -4.249 1.00 0.00 C ATOM 13 O ALA A -2 118.581 11.336 -4.824 1.00 0.00 O ATOM 14 CB ALA A -2 117.139 13.305 -2.903 1.00 0.00 C ATOM 0 H ALA A -2 116.487 13.240 -5.332 1.00 0.00 H new ATOM 0 HA ALA A -2 118.821 14.378 -3.792 1.00 0.00 H new ATOM 0 HB1 ALA A -2 117.672 13.096 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A -2 116.515 14.189 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A -2 116.511 12.452 -3.161 1.00 0.00 H new ATOM 20 N MET A -1 120.250 12.356 -3.796 1.00 0.00 N ATOM 21 CA MET A -1 121.166 11.183 -3.979 1.00 0.00 C ATOM 22 C MET A -1 120.659 9.980 -3.176 1.00 0.00 C ATOM 23 O MET A -1 120.774 8.846 -3.605 1.00 0.00 O ATOM 24 CB MET A -1 122.529 11.641 -3.450 1.00 0.00 C ATOM 25 CG MET A -1 123.084 12.744 -4.353 1.00 0.00 C ATOM 26 SD MET A -1 124.773 13.149 -3.843 1.00 0.00 S ATOM 27 CE MET A -1 125.575 11.670 -4.510 1.00 0.00 C ATOM 0 H MET A -1 120.661 13.151 -3.307 1.00 0.00 H new ATOM 0 HA MET A -1 121.221 10.871 -5.022 1.00 0.00 H new ATOM 0 HB2 MET A -1 122.429 12.009 -2.429 1.00 0.00 H new ATOM 0 HB3 MET A -1 123.221 10.799 -3.420 1.00 0.00 H new ATOM 0 HG2 MET A -1 123.075 12.416 -5.393 1.00 0.00 H new ATOM 0 HG3 MET A -1 122.452 13.630 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A -1 126.371 11.965 -5.194 1.00 0.00 H new ATOM 0 HE2 MET A -1 125.997 11.085 -3.693 1.00 0.00 H new ATOM 0 HE3 MET A -1 124.841 11.068 -5.046 1.00 0.00 H new ATOM 37 N GLY A 0 120.100 10.224 -2.015 1.00 0.00 N ATOM 38 CA GLY A 0 119.585 9.104 -1.171 1.00 0.00 C ATOM 39 C GLY A 0 118.087 8.922 -1.420 1.00 0.00 C ATOM 40 O GLY A 0 117.346 9.883 -1.520 1.00 0.00 O ATOM 0 H GLY A 0 119.979 11.155 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 0 120.118 8.183 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 0 119.766 9.316 -0.117 1.00 0.00 H new ATOM 44 N MET A 1 117.638 7.694 -1.519 1.00 0.00 N ATOM 45 CA MET A 1 116.183 7.431 -1.745 1.00 0.00 C ATOM 46 C MET A 1 115.648 6.473 -0.678 1.00 0.00 C ATOM 47 O MET A 1 116.397 5.727 -0.074 1.00 0.00 O ATOM 48 CB MET A 1 116.106 6.788 -3.131 1.00 0.00 C ATOM 49 CG MET A 1 116.501 7.814 -4.195 1.00 0.00 C ATOM 50 SD MET A 1 116.223 7.116 -5.842 1.00 0.00 S ATOM 51 CE MET A 1 117.401 5.748 -5.711 1.00 0.00 C ATOM 0 H MET A 1 118.220 6.859 -1.453 1.00 0.00 H new ATOM 0 HA MET A 1 115.585 8.340 -1.685 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.769 5.925 -3.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.096 6.425 -3.319 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.916 8.725 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 117.549 8.090 -4.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 117.863 5.572 -6.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 118.172 6.000 -4.983 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.878 4.847 -5.389 1.00 0.00 H new ATOM 61 N SER A 2 114.358 6.490 -0.444 1.00 0.00 N ATOM 62 CA SER A 2 113.762 5.592 0.593 1.00 0.00 C ATOM 63 C SER A 2 112.714 4.671 -0.040 1.00 0.00 C ATOM 64 O SER A 2 112.058 5.033 -0.999 1.00 0.00 O ATOM 65 CB SER A 2 113.106 6.535 1.602 1.00 0.00 C ATOM 66 OG SER A 2 114.082 7.438 2.103 1.00 0.00 O ATOM 0 H SER A 2 113.690 7.090 -0.929 1.00 0.00 H new ATOM 0 HA SER A 2 114.508 4.949 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.294 7.086 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.668 5.963 2.420 1.00 0.00 H new ATOM 0 HG SER A 2 113.665 8.045 2.749 1.00 0.00 H new ATOM 72 N VAL A 3 112.558 3.484 0.494 1.00 0.00 N ATOM 73 CA VAL A 3 111.544 2.525 -0.060 1.00 0.00 C ATOM 74 C VAL A 3 110.124 3.060 0.185 1.00 0.00 C ATOM 75 O VAL A 3 109.217 2.801 -0.585 1.00 0.00 O ATOM 76 CB VAL A 3 111.768 1.202 0.694 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.780 0.141 0.196 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.197 0.704 0.451 1.00 0.00 C ATOM 0 H VAL A 3 113.089 3.135 1.292 1.00 0.00 H new ATOM 0 HA VAL A 3 111.653 2.391 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 3 111.612 1.374 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 3 110.946 -0.792 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.760 0.484 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.931 -0.025 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.352 -0.233 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.349 0.542 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.908 1.449 0.810 1.00 0.00 H new ATOM 88 N ALA A 4 109.929 3.802 1.251 1.00 0.00 N ATOM 89 CA ALA A 4 108.562 4.336 1.570 1.00 0.00 C ATOM 90 C ALA A 4 108.063 5.257 0.449 1.00 0.00 C ATOM 91 O ALA A 4 106.874 5.371 0.217 1.00 0.00 O ATOM 92 CB ALA A 4 108.727 5.126 2.872 1.00 0.00 C ATOM 0 H ALA A 4 110.658 4.062 1.916 1.00 0.00 H new ATOM 0 HA ALA A 4 107.831 3.533 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.766 5.546 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.089 4.462 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.444 5.932 2.720 1.00 0.00 H new ATOM 98 N ASP A 5 108.965 5.913 -0.245 1.00 0.00 N ATOM 99 CA ASP A 5 108.550 6.815 -1.371 1.00 0.00 C ATOM 100 C ASP A 5 107.879 6.002 -2.485 1.00 0.00 C ATOM 101 O ASP A 5 106.906 6.432 -3.076 1.00 0.00 O ATOM 102 CB ASP A 5 109.844 7.455 -1.884 1.00 0.00 C ATOM 103 CG ASP A 5 110.431 8.373 -0.808 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.661 9.057 -0.151 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.641 8.378 -0.659 1.00 0.00 O ATOM 0 H ASP A 5 109.970 5.863 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 5 107.831 7.566 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.564 6.680 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.644 8.025 -2.791 1.00 0.00 H new ATOM 110 N PHE A 6 108.397 4.831 -2.770 1.00 0.00 N ATOM 111 CA PHE A 6 107.774 3.963 -3.818 1.00 0.00 C ATOM 112 C PHE A 6 106.610 3.169 -3.217 1.00 0.00 C ATOM 113 O PHE A 6 105.601 2.950 -3.861 1.00 0.00 O ATOM 114 CB PHE A 6 108.887 3.021 -4.279 1.00 0.00 C ATOM 115 CG PHE A 6 110.053 3.735 -4.922 1.00 0.00 C ATOM 116 CD1 PHE A 6 111.140 4.173 -4.126 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.058 3.969 -6.319 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.232 4.844 -4.728 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.151 4.640 -6.920 1.00 0.00 C ATOM 120 CZ PHE A 6 112.238 5.077 -6.125 1.00 0.00 C ATOM 0 H PHE A 6 109.225 4.439 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 6 107.371 4.544 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.248 2.451 -3.423 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.474 2.304 -4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 6 111.136 3.995 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.229 3.636 -6.926 1.00 0.00 H new ATOM 0 HE1 PHE A 6 113.061 5.178 -4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.155 4.818 -7.985 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.072 5.588 -6.584 1.00 0.00 H new ATOM 130 N TYR A 7 106.749 2.739 -1.986 1.00 0.00 N ATOM 131 CA TYR A 7 105.649 1.969 -1.318 1.00 0.00 C ATOM 132 C TYR A 7 104.439 2.883 -1.085 1.00 0.00 C ATOM 133 O TYR A 7 104.551 3.928 -0.471 1.00 0.00 O ATOM 134 CB TYR A 7 106.241 1.504 0.018 1.00 0.00 C ATOM 135 CG TYR A 7 105.607 0.249 0.589 1.00 0.00 C ATOM 136 CD1 TYR A 7 104.200 0.072 0.553 1.00 0.00 C ATOM 137 CD2 TYR A 7 106.427 -0.742 1.183 1.00 0.00 C ATOM 138 CE1 TYR A 7 103.618 -1.092 1.113 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.842 -1.908 1.736 1.00 0.00 C ATOM 140 CZ TYR A 7 104.441 -2.082 1.703 1.00 0.00 C ATOM 141 OH TYR A 7 103.877 -3.213 2.257 1.00 0.00 O ATOM 0 H TYR A 7 107.579 2.888 -1.412 1.00 0.00 H new ATOM 0 HA TYR A 7 105.304 1.129 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 7 107.308 1.328 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 7 106.139 2.310 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 7 103.572 0.825 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 7 107.498 -0.609 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 7 102.546 -1.224 1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.469 -2.665 2.184 1.00 0.00 H new ATOM 0 HH TYR A 7 102.938 -3.277 1.985 1.00 0.00 H new ATOM 151 N GLY A 8 103.286 2.491 -1.572 1.00 0.00 N ATOM 152 CA GLY A 8 102.066 3.345 -1.425 1.00 0.00 C ATOM 153 C GLY A 8 102.001 4.404 -2.540 1.00 0.00 C ATOM 154 O GLY A 8 101.075 5.193 -2.587 1.00 0.00 O ATOM 0 H GLY A 8 103.137 1.612 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 8 101.173 2.720 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 8 102.075 3.836 -0.452 1.00 0.00 H new ATOM 158 N SER A 9 102.967 4.434 -3.433 1.00 0.00 N ATOM 159 CA SER A 9 102.902 5.390 -4.583 1.00 0.00 C ATOM 160 C SER A 9 102.125 4.762 -5.743 1.00 0.00 C ATOM 161 O SER A 9 102.157 3.560 -5.939 1.00 0.00 O ATOM 162 CB SER A 9 104.356 5.640 -4.984 1.00 0.00 C ATOM 163 OG SER A 9 104.398 6.623 -6.010 1.00 0.00 O ATOM 0 H SER A 9 103.795 3.838 -3.413 1.00 0.00 H new ATOM 0 HA SER A 9 102.392 6.317 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.931 5.974 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.813 4.714 -5.333 1.00 0.00 H new ATOM 0 HG SER A 9 105.329 6.787 -6.268 1.00 0.00 H new ATOM 169 N ASN A 10 101.431 5.565 -6.512 1.00 0.00 N ATOM 170 CA ASN A 10 100.681 5.025 -7.687 1.00 0.00 C ATOM 171 C ASN A 10 101.562 5.069 -8.935 1.00 0.00 C ATOM 172 O ASN A 10 101.931 6.129 -9.411 1.00 0.00 O ATOM 173 CB ASN A 10 99.472 5.948 -7.853 1.00 0.00 C ATOM 174 CG ASN A 10 98.416 5.265 -8.727 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.745 4.524 -9.634 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.152 5.485 -8.492 1.00 0.00 N ATOM 0 H ASN A 10 101.352 6.573 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 10 100.380 3.987 -7.542 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.050 6.189 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.781 6.889 -8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.440 5.036 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.875 6.106 -7.732 1.00 0.00 H new ATOM 183 N VAL A 11 101.898 3.922 -9.465 1.00 0.00 N ATOM 184 CA VAL A 11 102.719 3.867 -10.712 1.00 0.00 C ATOM 185 C VAL A 11 102.076 2.897 -11.706 1.00 0.00 C ATOM 186 O VAL A 11 101.224 2.107 -11.340 1.00 0.00 O ATOM 187 CB VAL A 11 104.109 3.366 -10.277 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.748 4.385 -9.332 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.991 2.015 -9.556 1.00 0.00 C ATOM 0 H VAL A 11 101.637 3.013 -9.084 1.00 0.00 H new ATOM 0 HA VAL A 11 102.790 4.837 -11.204 1.00 0.00 H new ATOM 0 HB VAL A 11 104.729 3.243 -11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.732 4.029 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.852 5.341 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.117 4.511 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.982 1.675 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.363 2.128 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.544 1.282 -10.228 1.00 0.00 H new ATOM 199 N GLU A 12 102.471 2.950 -12.954 1.00 0.00 N ATOM 200 CA GLU A 12 101.979 1.941 -13.938 1.00 0.00 C ATOM 201 C GLU A 12 103.164 1.148 -14.493 1.00 0.00 C ATOM 202 O GLU A 12 104.249 1.669 -14.651 1.00 0.00 O ATOM 203 CB GLU A 12 101.300 2.761 -15.041 1.00 0.00 C ATOM 204 CG GLU A 12 100.701 1.826 -16.098 1.00 0.00 C ATOM 205 CD GLU A 12 99.945 2.648 -17.145 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.450 3.689 -17.534 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.872 2.223 -17.540 1.00 0.00 O ATOM 0 H GLU A 12 103.112 3.648 -13.332 1.00 0.00 H new ATOM 0 HA GLU A 12 101.291 1.220 -13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.517 3.386 -14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.024 3.431 -15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.492 1.248 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.026 1.112 -15.626 1.00 0.00 H new ATOM 214 N VAL A 13 102.963 -0.111 -14.782 1.00 0.00 N ATOM 215 CA VAL A 13 104.061 -0.934 -15.368 1.00 0.00 C ATOM 216 C VAL A 13 103.526 -1.737 -16.553 1.00 0.00 C ATOM 217 O VAL A 13 102.405 -2.212 -16.525 1.00 0.00 O ATOM 218 CB VAL A 13 104.526 -1.863 -14.232 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.417 -2.852 -13.847 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.753 -2.651 -14.690 1.00 0.00 C ATOM 0 H VAL A 13 102.083 -0.606 -14.637 1.00 0.00 H new ATOM 0 HA VAL A 13 104.885 -0.327 -15.742 1.00 0.00 H new ATOM 0 HB VAL A 13 104.770 -1.250 -13.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.769 -3.498 -13.043 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.538 -2.301 -13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.155 -3.460 -14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.083 -3.309 -13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.496 -3.248 -15.565 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.555 -1.959 -14.945 1.00 0.00 H new ATOM 230 N LEU A 14 104.310 -1.893 -17.588 1.00 0.00 N ATOM 231 CA LEU A 14 103.913 -2.856 -18.659 1.00 0.00 C ATOM 232 C LEU A 14 104.612 -4.187 -18.427 1.00 0.00 C ATOM 233 O LEU A 14 105.791 -4.232 -18.126 1.00 0.00 O ATOM 234 CB LEU A 14 104.352 -2.277 -20.013 1.00 0.00 C ATOM 235 CG LEU A 14 103.922 -0.806 -20.219 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.696 -0.580 -21.716 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.630 -0.467 -19.458 1.00 0.00 C ATOM 0 H LEU A 14 105.193 -1.405 -17.738 1.00 0.00 H new ATOM 0 HA LEU A 14 102.834 -3.012 -18.646 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.437 -2.346 -20.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 103.933 -2.886 -20.814 1.00 0.00 H new ATOM 0 HG LEU A 14 104.709 -0.159 -19.831 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.391 0.453 -21.886 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.621 -0.780 -22.258 1.00 0.00 H new ATOM 0 HD13 LEU A 14 102.915 -1.252 -22.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.368 0.576 -19.633 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.822 -1.108 -19.810 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.783 -0.628 -18.391 1.00 0.00 H new ATOM 249 N LEU A 15 103.894 -5.267 -18.564 1.00 0.00 N ATOM 250 CA LEU A 15 104.529 -6.607 -18.396 1.00 0.00 C ATOM 251 C LEU A 15 105.192 -7.039 -19.706 1.00 0.00 C ATOM 252 O LEU A 15 105.099 -6.361 -20.712 1.00 0.00 O ATOM 253 CB LEU A 15 103.390 -7.562 -18.024 1.00 0.00 C ATOM 254 CG LEU A 15 102.787 -7.152 -16.677 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.496 -7.937 -16.436 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.783 -7.459 -15.556 1.00 0.00 C ATOM 0 H LEU A 15 102.898 -5.281 -18.784 1.00 0.00 H new ATOM 0 HA LEU A 15 105.305 -6.599 -17.631 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.622 -7.545 -18.797 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.764 -8.584 -17.969 1.00 0.00 H new ATOM 0 HG LEU A 15 102.569 -6.084 -16.688 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.067 -7.646 -15.478 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.785 -7.721 -17.233 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.716 -9.005 -16.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.354 -7.167 -14.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.001 -8.527 -15.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.704 -6.902 -15.725 1.00 0.00 H new ATOM 268 N ASN A 16 105.861 -8.166 -19.694 1.00 0.00 N ATOM 269 CA ASN A 16 106.610 -8.636 -20.913 1.00 0.00 C ATOM 270 C ASN A 16 105.678 -8.774 -22.128 1.00 0.00 C ATOM 271 O ASN A 16 106.123 -8.741 -23.261 1.00 0.00 O ATOM 272 CB ASN A 16 107.208 -10.002 -20.530 1.00 0.00 C ATOM 273 CG ASN A 16 106.096 -10.981 -20.130 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.213 -11.270 -20.914 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.103 -11.505 -18.935 1.00 0.00 N ATOM 0 H ASN A 16 105.924 -8.788 -18.888 1.00 0.00 H new ATOM 0 HA ASN A 16 107.380 -7.920 -21.201 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.773 -10.407 -21.370 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.908 -9.880 -19.704 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.368 -12.156 -18.659 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.843 -11.263 -18.276 1.00 0.00 H new ATOM 282 N ASN A 17 104.396 -8.928 -21.901 1.00 0.00 N ATOM 283 CA ASN A 17 103.449 -9.155 -23.039 1.00 0.00 C ATOM 284 C ASN A 17 102.704 -7.859 -23.412 1.00 0.00 C ATOM 285 O ASN A 17 101.612 -7.906 -23.947 1.00 0.00 O ATOM 286 CB ASN A 17 102.471 -10.236 -22.548 1.00 0.00 C ATOM 287 CG ASN A 17 101.704 -9.752 -21.312 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.007 -8.760 -21.366 1.00 0.00 O ATOM 289 ND2 ASN A 17 101.806 -10.417 -20.194 1.00 0.00 N ATOM 0 H ASN A 17 103.964 -8.906 -20.977 1.00 0.00 H new ATOM 0 HA ASN A 17 103.974 -9.468 -23.941 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.769 -10.486 -23.343 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.019 -11.147 -22.308 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.300 -10.103 -19.366 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.392 -11.251 -20.148 1.00 0.00 H new ATOM 296 N ASP A 18 103.280 -6.701 -23.131 1.00 0.00 N ATOM 297 CA ASP A 18 102.698 -5.401 -23.617 1.00 0.00 C ATOM 298 C ASP A 18 101.268 -5.211 -23.095 1.00 0.00 C ATOM 299 O ASP A 18 100.469 -4.524 -23.705 1.00 0.00 O ATOM 300 CB ASP A 18 102.708 -5.473 -25.152 1.00 0.00 C ATOM 301 CG ASP A 18 104.153 -5.551 -25.652 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.652 -6.656 -25.790 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.734 -4.505 -25.889 1.00 0.00 O ATOM 0 H ASP A 18 104.134 -6.605 -22.582 1.00 0.00 H new ATOM 0 HA ASP A 18 103.279 -4.553 -23.255 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.148 -6.345 -25.489 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.214 -4.596 -25.571 1.00 0.00 H new ATOM 308 N SER A 19 100.939 -5.815 -21.975 1.00 0.00 N ATOM 309 CA SER A 19 99.670 -5.457 -21.276 1.00 0.00 C ATOM 310 C SER A 19 99.985 -4.471 -20.153 1.00 0.00 C ATOM 311 O SER A 19 100.906 -4.677 -19.383 1.00 0.00 O ATOM 312 CB SER A 19 99.130 -6.771 -20.710 1.00 0.00 C ATOM 313 OG SER A 19 99.972 -7.213 -19.652 1.00 0.00 O ATOM 0 H SER A 19 101.496 -6.538 -21.519 1.00 0.00 H new ATOM 0 HA SER A 19 98.941 -4.987 -21.936 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.112 -6.631 -20.345 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.086 -7.527 -21.494 1.00 0.00 H new ATOM 0 HG SER A 19 100.645 -7.831 -20.006 1.00 0.00 H new ATOM 319 N LYS A 20 99.233 -3.406 -20.051 1.00 0.00 N ATOM 320 CA LYS A 20 99.606 -2.316 -19.098 1.00 0.00 C ATOM 321 C LYS A 20 98.625 -2.278 -17.921 1.00 0.00 C ATOM 322 O LYS A 20 97.425 -2.373 -18.099 1.00 0.00 O ATOM 323 CB LYS A 20 99.510 -1.005 -19.902 1.00 0.00 C ATOM 324 CG LYS A 20 100.145 -1.162 -21.294 1.00 0.00 C ATOM 325 CD LYS A 20 100.187 0.199 -21.994 1.00 0.00 C ATOM 326 CE LYS A 20 100.695 0.021 -23.426 1.00 0.00 C ATOM 327 NZ LYS A 20 100.111 1.161 -24.186 1.00 0.00 N ATOM 0 H LYS A 20 98.379 -3.243 -20.584 1.00 0.00 H new ATOM 0 HA LYS A 20 100.604 -2.470 -18.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.465 -0.714 -20.006 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.011 -0.204 -19.359 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.153 -1.566 -21.202 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.570 -1.871 -21.889 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.193 0.646 -22.002 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.839 0.881 -21.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.784 0.038 -23.463 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.377 -0.935 -23.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.415 1.108 -25.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.073 1.115 -24.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.437 2.058 -23.772 1.00 0.00 H new ATOM 341 N ALA A 21 99.137 -2.138 -16.721 1.00 0.00 N ATOM 342 CA ALA A 21 98.251 -1.999 -15.525 1.00 0.00 C ATOM 343 C ALA A 21 98.856 -0.994 -14.539 1.00 0.00 C ATOM 344 O ALA A 21 100.061 -0.835 -14.473 1.00 0.00 O ATOM 345 CB ALA A 21 98.198 -3.395 -14.904 1.00 0.00 C ATOM 0 H ALA A 21 100.137 -2.114 -16.519 1.00 0.00 H new ATOM 0 HA ALA A 21 97.258 -1.634 -15.785 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.564 -3.375 -14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.788 -4.100 -15.627 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.204 -3.707 -14.624 1.00 0.00 H new ATOM 351 N ARG A 22 98.031 -0.319 -13.773 1.00 0.00 N ATOM 352 CA ARG A 22 98.556 0.682 -12.792 1.00 0.00 C ATOM 353 C ARG A 22 97.828 0.544 -11.453 1.00 0.00 C ATOM 354 O ARG A 22 96.727 0.028 -11.391 1.00 0.00 O ATOM 355 CB ARG A 22 98.290 2.059 -13.425 1.00 0.00 C ATOM 356 CG ARG A 22 96.787 2.261 -13.667 1.00 0.00 C ATOM 357 CD ARG A 22 96.567 3.541 -14.479 1.00 0.00 C ATOM 358 NE ARG A 22 95.080 3.719 -14.545 1.00 0.00 N ATOM 359 CZ ARG A 22 94.522 4.521 -15.432 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.241 5.207 -16.292 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.223 4.639 -15.454 1.00 0.00 N ATOM 0 H ARG A 22 97.016 -0.419 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 22 99.617 0.538 -12.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.667 2.845 -12.771 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.830 2.142 -14.368 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.376 1.404 -14.200 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.260 2.327 -12.715 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.044 4.396 -14.001 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.997 3.452 -15.477 1.00 0.00 H new ATOM 0 HE ARG A 22 94.487 3.209 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.258 5.127 -16.285 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.782 5.819 -16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.652 4.115 -14.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.778 5.255 -16.134 1.00 0.00 H new ATOM 375 N GLY A 23 98.439 0.997 -10.386 1.00 0.00 N ATOM 376 CA GLY A 23 97.763 0.956 -9.057 1.00 0.00 C ATOM 377 C GLY A 23 98.705 1.510 -7.989 1.00 0.00 C ATOM 378 O GLY A 23 99.806 1.935 -8.286 1.00 0.00 O ATOM 0 H GLY A 23 99.379 1.394 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.844 1.542 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.480 -0.068 -8.812 1.00 0.00 H new ATOM 382 N VAL A 24 98.280 1.507 -6.750 1.00 0.00 N ATOM 383 CA VAL A 24 99.166 1.985 -5.644 1.00 0.00 C ATOM 384 C VAL A 24 99.920 0.794 -5.044 1.00 0.00 C ATOM 385 O VAL A 24 99.337 -0.233 -4.752 1.00 0.00 O ATOM 386 CB VAL A 24 98.227 2.618 -4.603 1.00 0.00 C ATOM 387 CG1 VAL A 24 99.049 3.182 -3.439 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.430 3.759 -5.246 1.00 0.00 C ATOM 0 H VAL A 24 97.355 1.193 -6.456 1.00 0.00 H new ATOM 0 HA VAL A 24 99.910 2.703 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 24 97.543 1.853 -4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.380 3.629 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.616 2.378 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.736 3.941 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.767 4.203 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.118 4.518 -5.619 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.838 3.368 -6.074 1.00 0.00 H new ATOM 398 N ILE A 25 101.210 0.929 -4.861 1.00 0.00 N ATOM 399 CA ILE A 25 102.023 -0.214 -4.327 1.00 0.00 C ATOM 400 C ILE A 25 101.602 -0.538 -2.885 1.00 0.00 C ATOM 401 O ILE A 25 101.395 0.345 -2.074 1.00 0.00 O ATOM 402 CB ILE A 25 103.486 0.266 -4.397 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.929 0.305 -5.862 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.406 -0.682 -3.613 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.172 1.185 -6.001 1.00 0.00 C ATOM 0 H ILE A 25 101.738 1.780 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 25 101.881 -1.131 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 25 103.553 1.260 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.145 -0.704 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.124 0.695 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.434 -0.325 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.094 -0.711 -2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.343 -1.684 -4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.485 1.211 -7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.941 2.196 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.977 0.776 -5.391 1.00 0.00 H new ATOM 417 N THR A 26 101.479 -1.807 -2.575 1.00 0.00 N ATOM 418 CA THR A 26 101.037 -2.219 -1.209 1.00 0.00 C ATOM 419 C THR A 26 102.037 -3.188 -0.559 1.00 0.00 C ATOM 420 O THR A 26 101.990 -3.395 0.639 1.00 0.00 O ATOM 421 CB THR A 26 99.687 -2.908 -1.418 1.00 0.00 C ATOM 422 OG1 THR A 26 99.813 -3.898 -2.428 1.00 0.00 O ATOM 423 CG2 THR A 26 98.642 -1.873 -1.840 1.00 0.00 C ATOM 0 H THR A 26 101.668 -2.578 -3.215 1.00 0.00 H new ATOM 0 HA THR A 26 100.968 -1.361 -0.540 1.00 0.00 H new ATOM 0 HB THR A 26 99.371 -3.378 -0.487 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.139 -3.483 -3.254 1.00 0.00 H new ATOM 0 HG21 THR A 26 97.681 -2.366 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.545 -1.116 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 26 98.954 -1.399 -2.771 1.00 0.00 H new ATOM 431 N ASN A 27 102.935 -3.789 -1.318 1.00 0.00 N ATOM 432 CA ASN A 27 103.991 -4.638 -0.678 1.00 0.00 C ATOM 433 C ASN A 27 105.205 -4.796 -1.598 1.00 0.00 C ATOM 434 O ASN A 27 105.093 -4.738 -2.807 1.00 0.00 O ATOM 435 CB ASN A 27 103.320 -5.992 -0.444 1.00 0.00 C ATOM 436 CG ASN A 27 104.210 -6.857 0.451 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.848 -7.779 -0.016 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.280 -6.596 1.728 1.00 0.00 N ATOM 0 H ASN A 27 102.979 -3.727 -2.335 1.00 0.00 H new ATOM 0 HA ASN A 27 104.361 -4.193 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.345 -5.851 0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.148 -6.493 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.870 -7.166 2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.744 -5.822 2.120 1.00 0.00 H new ATOM 445 N PHE A 28 106.365 -4.992 -1.017 1.00 0.00 N ATOM 446 CA PHE A 28 107.589 -5.284 -1.823 1.00 0.00 C ATOM 447 C PHE A 28 108.532 -6.180 -1.017 1.00 0.00 C ATOM 448 O PHE A 28 108.801 -5.924 0.142 1.00 0.00 O ATOM 449 CB PHE A 28 108.229 -3.921 -2.085 1.00 0.00 C ATOM 450 CG PHE A 28 109.412 -3.984 -3.022 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.215 -4.284 -4.392 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.718 -3.742 -2.530 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.324 -4.341 -5.270 1.00 0.00 C ATOM 454 CE2 PHE A 28 111.827 -3.799 -3.409 1.00 0.00 C ATOM 455 CZ PHE A 28 111.630 -4.099 -4.779 1.00 0.00 C ATOM 0 H PHE A 28 106.515 -4.961 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 28 107.364 -5.806 -2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.479 -3.250 -2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.549 -3.490 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.219 -4.469 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 28 110.868 -3.514 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.174 -4.569 -6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 28 112.823 -3.614 -3.035 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.476 -4.143 -5.449 1.00 0.00 H new ATOM 465 N ASP A 29 109.035 -7.225 -1.625 1.00 0.00 N ATOM 466 CA ASP A 29 109.901 -8.192 -0.884 1.00 0.00 C ATOM 467 C ASP A 29 111.266 -8.294 -1.566 1.00 0.00 C ATOM 468 O ASP A 29 111.354 -8.608 -2.736 1.00 0.00 O ATOM 469 CB ASP A 29 109.157 -9.526 -0.962 1.00 0.00 C ATOM 470 CG ASP A 29 109.845 -10.551 -0.059 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.730 -11.237 -0.543 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.476 -10.633 1.101 1.00 0.00 O ATOM 0 H ASP A 29 108.882 -7.451 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 29 110.081 -7.889 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.120 -9.394 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.141 -9.885 -1.991 1.00 0.00 H new ATOM 477 N SER A 30 112.325 -8.031 -0.840 1.00 0.00 N ATOM 478 CA SER A 30 113.692 -8.059 -1.454 1.00 0.00 C ATOM 479 C SER A 30 114.148 -9.503 -1.700 1.00 0.00 C ATOM 480 O SER A 30 114.908 -9.770 -2.612 1.00 0.00 O ATOM 481 CB SER A 30 114.608 -7.377 -0.437 1.00 0.00 C ATOM 482 OG SER A 30 114.711 -8.192 0.724 1.00 0.00 O ATOM 0 H SER A 30 112.303 -7.798 0.153 1.00 0.00 H new ATOM 0 HA SER A 30 113.709 -7.555 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.595 -7.215 -0.870 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.211 -6.397 -0.173 1.00 0.00 H new ATOM 0 HG SER A 30 115.299 -7.758 1.377 1.00 0.00 H new ATOM 488 N SER A 31 113.690 -10.434 -0.894 1.00 0.00 N ATOM 489 CA SER A 31 114.159 -11.853 -1.029 1.00 0.00 C ATOM 490 C SER A 31 113.734 -12.439 -2.381 1.00 0.00 C ATOM 491 O SER A 31 114.504 -13.114 -3.039 1.00 0.00 O ATOM 492 CB SER A 31 113.489 -12.616 0.116 1.00 0.00 C ATOM 493 OG SER A 31 113.698 -11.913 1.334 1.00 0.00 O ATOM 0 H SER A 31 113.012 -10.273 -0.149 1.00 0.00 H new ATOM 0 HA SER A 31 115.246 -11.922 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.422 -12.722 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.901 -13.622 0.188 1.00 0.00 H new ATOM 0 HG SER A 31 113.269 -12.398 2.069 1.00 0.00 H new ATOM 499 N ASN A 32 112.516 -12.186 -2.796 1.00 0.00 N ATOM 500 CA ASN A 32 112.027 -12.739 -4.100 1.00 0.00 C ATOM 501 C ASN A 32 111.526 -11.622 -5.033 1.00 0.00 C ATOM 502 O ASN A 32 111.009 -11.893 -6.101 1.00 0.00 O ATOM 503 CB ASN A 32 110.876 -13.671 -3.722 1.00 0.00 C ATOM 504 CG ASN A 32 110.548 -14.585 -4.904 1.00 0.00 C ATOM 505 OD1 ASN A 32 109.539 -14.414 -5.558 1.00 0.00 O ATOM 506 ND2 ASN A 32 111.365 -15.557 -5.207 1.00 0.00 N ATOM 0 H ASN A 32 111.838 -11.619 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 32 112.822 -13.252 -4.641 1.00 0.00 H new ATOM 0 HB2 ASN A 32 111.149 -14.268 -2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.998 -13.088 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 32 111.156 -16.173 -5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 32 112.212 -15.701 -4.658 1.00 0.00 H new ATOM 513 N SER A 33 111.675 -10.367 -4.645 1.00 0.00 N ATOM 514 CA SER A 33 111.202 -9.222 -5.501 1.00 0.00 C ATOM 515 C SER A 33 109.733 -9.410 -5.914 1.00 0.00 C ATOM 516 O SER A 33 109.421 -9.611 -7.075 1.00 0.00 O ATOM 517 CB SER A 33 112.123 -9.221 -6.728 1.00 0.00 C ATOM 518 OG SER A 33 113.474 -9.353 -6.303 1.00 0.00 O ATOM 0 H SER A 33 112.108 -10.088 -3.765 1.00 0.00 H new ATOM 0 HA SER A 33 111.246 -8.275 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.858 -10.041 -7.396 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.996 -8.297 -7.292 1.00 0.00 H new ATOM 0 HG SER A 33 114.064 -9.354 -7.085 1.00 0.00 H new ATOM 524 N ILE A 34 108.832 -9.346 -4.963 1.00 0.00 N ATOM 525 CA ILE A 34 107.377 -9.512 -5.281 1.00 0.00 C ATOM 526 C ILE A 34 106.623 -8.227 -4.922 1.00 0.00 C ATOM 527 O ILE A 34 106.792 -7.681 -3.848 1.00 0.00 O ATOM 528 CB ILE A 34 106.892 -10.691 -4.417 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.758 -11.946 -4.674 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.426 -11.004 -4.742 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.679 -12.392 -6.146 1.00 0.00 C ATOM 0 H ILE A 34 109.042 -9.186 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 34 107.205 -9.705 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 34 106.982 -10.411 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.795 -11.734 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.425 -12.758 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.087 -11.839 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.812 -10.128 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.335 -11.268 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.299 -13.276 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.645 -12.628 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.036 -11.588 -6.789 1.00 0.00 H new ATOM 543 N LEU A 35 105.793 -7.747 -5.816 1.00 0.00 N ATOM 544 CA LEU A 35 105.124 -6.426 -5.603 1.00 0.00 C ATOM 545 C LEU A 35 103.605 -6.578 -5.702 1.00 0.00 C ATOM 546 O LEU A 35 103.084 -7.046 -6.696 1.00 0.00 O ATOM 547 CB LEU A 35 105.653 -5.544 -6.737 1.00 0.00 C ATOM 548 CG LEU A 35 105.151 -4.108 -6.562 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.076 -3.352 -5.607 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.140 -3.409 -7.924 1.00 0.00 C ATOM 0 H LEU A 35 105.549 -8.216 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 35 105.332 -6.004 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.743 -5.559 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.324 -5.938 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 35 104.143 -4.122 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.716 -2.330 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.086 -3.852 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.086 -3.334 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.783 -2.386 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.150 -3.396 -8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.479 -3.947 -8.604 1.00 0.00 H new ATOM 562 N GLN A 36 102.898 -6.183 -4.673 1.00 0.00 N ATOM 563 CA GLN A 36 101.409 -6.156 -4.746 1.00 0.00 C ATOM 564 C GLN A 36 100.939 -4.745 -5.091 1.00 0.00 C ATOM 565 O GLN A 36 101.335 -3.786 -4.457 1.00 0.00 O ATOM 566 CB GLN A 36 100.933 -6.553 -3.349 1.00 0.00 C ATOM 567 CG GLN A 36 101.175 -8.048 -3.133 1.00 0.00 C ATOM 568 CD GLN A 36 100.781 -8.433 -1.705 1.00 0.00 C ATOM 569 OE1 GLN A 36 100.962 -7.662 -0.782 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.245 -9.602 -1.482 1.00 0.00 N ATOM 0 H GLN A 36 103.292 -5.877 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 36 101.016 -6.826 -5.510 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.465 -5.975 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.873 -6.325 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.593 -8.628 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.224 -8.285 -3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.093 -10.249 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.978 -9.868 -0.534 1.00 0.00 H new ATOM 579 N LEU A 37 100.102 -4.613 -6.091 1.00 0.00 N ATOM 580 CA LEU A 37 99.581 -3.263 -6.469 1.00 0.00 C ATOM 581 C LEU A 37 98.084 -3.174 -6.167 1.00 0.00 C ATOM 582 O LEU A 37 97.305 -3.998 -6.609 1.00 0.00 O ATOM 583 CB LEU A 37 99.830 -3.142 -7.975 1.00 0.00 C ATOM 584 CG LEU A 37 101.334 -3.108 -8.252 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.584 -3.384 -9.736 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.890 -1.727 -7.895 1.00 0.00 C ATOM 0 H LEU A 37 99.757 -5.384 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 37 100.069 -2.464 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.374 -3.983 -8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.360 -2.236 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 37 101.830 -3.868 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.655 -3.360 -9.935 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.189 -4.366 -9.995 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.086 -2.623 -10.337 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.962 -1.704 -8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.393 -0.968 -8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.712 -1.525 -6.839 1.00 0.00 H new ATOM 598 N ARG A 38 97.682 -2.178 -5.416 1.00 0.00 N ATOM 599 CA ARG A 38 96.226 -1.987 -5.127 1.00 0.00 C ATOM 600 C ARG A 38 95.721 -0.711 -5.809 1.00 0.00 C ATOM 601 O ARG A 38 96.215 0.373 -5.557 1.00 0.00 O ATOM 602 CB ARG A 38 96.135 -1.863 -3.605 1.00 0.00 C ATOM 603 CG ARG A 38 94.665 -1.816 -3.177 1.00 0.00 C ATOM 604 CD ARG A 38 94.581 -1.631 -1.659 1.00 0.00 C ATOM 605 NE ARG A 38 93.122 -1.717 -1.337 1.00 0.00 N ATOM 606 CZ ARG A 38 92.487 -2.875 -1.307 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.102 -4.005 -1.573 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.217 -2.896 -1.010 1.00 0.00 N ATOM 0 H ARG A 38 98.300 -1.488 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 38 95.615 -2.809 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.635 -2.708 -3.131 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.649 -0.961 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.154 -0.997 -3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.160 -2.736 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.146 -2.402 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.996 -0.670 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 38 92.605 -0.861 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.094 -4.002 -1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.587 -4.885 -1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 90.727 -2.025 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 38 90.714 -3.783 -0.983 1.00 0.00 H new ATOM 622 N LEU A 39 94.739 -0.837 -6.666 1.00 0.00 N ATOM 623 CA LEU A 39 94.269 0.336 -7.465 1.00 0.00 C ATOM 624 C LEU A 39 92.970 0.905 -6.874 1.00 0.00 C ATOM 625 O LEU A 39 92.240 0.223 -6.174 1.00 0.00 O ATOM 626 CB LEU A 39 94.050 -0.227 -8.877 1.00 0.00 C ATOM 627 CG LEU A 39 93.521 0.857 -9.832 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.547 1.983 -9.994 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.266 0.223 -11.198 1.00 0.00 C ATOM 0 H LEU A 39 94.240 -1.708 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 39 94.981 1.161 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.988 -0.628 -9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.343 -1.055 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 39 92.602 1.274 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.153 2.739 -10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.746 2.436 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.473 1.576 -10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.890 0.980 -11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 39 94.197 -0.191 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.529 -0.574 -11.097 1.00 0.00 H new ATOM 641 N ALA A 40 92.683 2.154 -7.167 1.00 0.00 N ATOM 642 CA ALA A 40 91.543 2.866 -6.496 1.00 0.00 C ATOM 643 C ALA A 40 90.180 2.263 -6.877 1.00 0.00 C ATOM 644 O ALA A 40 89.159 2.672 -6.354 1.00 0.00 O ATOM 645 CB ALA A 40 91.631 4.315 -6.983 1.00 0.00 C ATOM 0 H ALA A 40 93.194 2.716 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 40 91.618 2.780 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.828 4.899 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.593 4.738 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.535 4.340 -8.068 1.00 0.00 H new ATOM 651 N ASN A 41 90.144 1.304 -7.776 1.00 0.00 N ATOM 652 CA ASN A 41 88.859 0.595 -8.077 1.00 0.00 C ATOM 653 C ASN A 41 88.643 -0.582 -7.106 1.00 0.00 C ATOM 654 O ASN A 41 88.026 -1.568 -7.462 1.00 0.00 O ATOM 655 CB ASN A 41 89.019 0.076 -9.509 1.00 0.00 C ATOM 656 CG ASN A 41 89.048 1.257 -10.482 1.00 0.00 C ATOM 657 OD1 ASN A 41 89.615 2.290 -10.186 1.00 0.00 O ATOM 658 ND2 ASN A 41 88.455 1.147 -11.639 1.00 0.00 N ATOM 0 H ASN A 41 90.950 0.983 -8.313 1.00 0.00 H new ATOM 0 HA ASN A 41 87.998 1.254 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.938 -0.503 -9.596 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.196 -0.594 -9.758 1.00 0.00 H new ATOM 0 HD21 ASN A 41 88.468 1.928 -12.295 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.979 0.280 -11.888 1.00 0.00 H new ATOM 665 N ASP A 42 89.149 -0.493 -5.882 1.00 0.00 N ATOM 666 CA ASP A 42 88.921 -1.574 -4.860 1.00 0.00 C ATOM 667 C ASP A 42 89.438 -2.920 -5.384 1.00 0.00 C ATOM 668 O ASP A 42 88.926 -3.965 -5.027 1.00 0.00 O ATOM 669 CB ASP A 42 87.402 -1.633 -4.627 1.00 0.00 C ATOM 670 CG ASP A 42 86.918 -0.306 -4.036 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.599 0.220 -3.170 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.873 0.162 -4.460 1.00 0.00 O ATOM 0 H ASP A 42 89.713 0.290 -5.552 1.00 0.00 H new ATOM 0 HA ASP A 42 89.454 -1.363 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.888 -1.832 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.160 -2.453 -3.951 1.00 0.00 H new ATOM 677 N SER A 43 90.451 -2.902 -6.228 1.00 0.00 N ATOM 678 CA SER A 43 91.022 -4.184 -6.744 1.00 0.00 C ATOM 679 C SER A 43 92.519 -4.258 -6.436 1.00 0.00 C ATOM 680 O SER A 43 93.241 -3.290 -6.591 1.00 0.00 O ATOM 681 CB SER A 43 90.782 -4.146 -8.254 1.00 0.00 C ATOM 682 OG SER A 43 89.390 -4.270 -8.511 1.00 0.00 O ATOM 0 H SER A 43 90.901 -2.056 -6.577 1.00 0.00 H new ATOM 0 HA SER A 43 90.562 -5.057 -6.282 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.159 -3.212 -8.670 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.327 -4.955 -8.741 1.00 0.00 H new ATOM 0 HG SER A 43 88.925 -3.469 -8.189 1.00 0.00 H new ATOM 688 N THR A 44 92.986 -5.403 -6.000 1.00 0.00 N ATOM 689 CA THR A 44 94.440 -5.562 -5.681 1.00 0.00 C ATOM 690 C THR A 44 94.991 -6.829 -6.344 1.00 0.00 C ATOM 691 O THR A 44 94.293 -7.817 -6.482 1.00 0.00 O ATOM 692 CB THR A 44 94.512 -5.661 -4.148 1.00 0.00 C ATOM 693 OG1 THR A 44 95.869 -5.803 -3.751 1.00 0.00 O ATOM 694 CG2 THR A 44 93.705 -6.867 -3.646 1.00 0.00 C ATOM 0 H THR A 44 92.420 -6.238 -5.851 1.00 0.00 H new ATOM 0 HA THR A 44 95.038 -4.730 -6.053 1.00 0.00 H new ATOM 0 HB THR A 44 94.089 -4.754 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.919 -5.865 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.768 -6.920 -2.559 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.662 -6.757 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.111 -7.782 -4.078 1.00 0.00 H new ATOM 702 N LYS A 45 96.236 -6.803 -6.751 1.00 0.00 N ATOM 703 CA LYS A 45 96.832 -7.993 -7.432 1.00 0.00 C ATOM 704 C LYS A 45 98.303 -8.154 -7.039 1.00 0.00 C ATOM 705 O LYS A 45 99.032 -7.185 -6.929 1.00 0.00 O ATOM 706 CB LYS A 45 96.703 -7.699 -8.927 1.00 0.00 C ATOM 707 CG LYS A 45 97.005 -8.969 -9.725 1.00 0.00 C ATOM 708 CD LYS A 45 97.037 -8.639 -11.219 1.00 0.00 C ATOM 709 CE LYS A 45 95.613 -8.386 -11.717 1.00 0.00 C ATOM 710 NZ LYS A 45 95.716 -8.406 -13.203 1.00 0.00 N ATOM 0 H LYS A 45 96.866 -6.008 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 45 96.331 -8.920 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.697 -7.345 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.392 -6.905 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 45 97.962 -9.388 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.246 -9.726 -9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 45 97.657 -7.760 -11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.487 -9.462 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 45 94.927 -9.153 -11.358 1.00 0.00 H new ATOM 0 HE3 LYS A 45 95.234 -7.428 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 94.777 -8.239 -13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 96.370 -7.661 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 96.073 -9.332 -13.514 1.00 0.00 H new ATOM 724 N SER A 46 98.739 -9.373 -6.827 1.00 0.00 N ATOM 725 CA SER A 46 100.174 -9.616 -6.489 1.00 0.00 C ATOM 726 C SER A 46 100.949 -10.010 -7.748 1.00 0.00 C ATOM 727 O SER A 46 100.642 -11.000 -8.388 1.00 0.00 O ATOM 728 CB SER A 46 100.155 -10.770 -5.486 1.00 0.00 C ATOM 729 OG SER A 46 99.710 -11.952 -6.139 1.00 0.00 O ATOM 0 H SER A 46 98.160 -10.211 -6.874 1.00 0.00 H new ATOM 0 HA SER A 46 100.660 -8.731 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.151 -10.923 -5.071 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.495 -10.531 -4.652 1.00 0.00 H new ATOM 0 HG SER A 46 99.828 -11.855 -7.107 1.00 0.00 H new ATOM 735 N ILE A 47 101.950 -9.242 -8.106 1.00 0.00 N ATOM 736 CA ILE A 47 102.736 -9.547 -9.342 1.00 0.00 C ATOM 737 C ILE A 47 104.231 -9.544 -9.011 1.00 0.00 C ATOM 738 O ILE A 47 104.733 -8.619 -8.397 1.00 0.00 O ATOM 739 CB ILE A 47 102.394 -8.422 -10.335 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.883 -8.405 -10.609 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.136 -8.655 -11.656 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.512 -7.123 -11.360 1.00 0.00 C ATOM 0 H ILE A 47 102.257 -8.415 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 47 102.497 -10.526 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 47 102.698 -7.468 -9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.600 -9.278 -11.197 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.332 -8.461 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.891 -7.857 -12.356 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.211 -8.661 -11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.834 -9.613 -12.079 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.439 -7.112 -11.554 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.780 -6.257 -10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.052 -7.086 -12.306 1.00 0.00 H new ATOM 754 N VAL A 48 104.941 -10.568 -9.412 1.00 0.00 N ATOM 755 CA VAL A 48 106.418 -10.597 -9.172 1.00 0.00 C ATOM 756 C VAL A 48 107.101 -9.609 -10.122 1.00 0.00 C ATOM 757 O VAL A 48 106.779 -9.541 -11.291 1.00 0.00 O ATOM 758 CB VAL A 48 106.873 -12.040 -9.459 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.363 -12.189 -9.118 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.045 -13.036 -8.625 1.00 0.00 C ATOM 0 H VAL A 48 104.564 -11.384 -9.894 1.00 0.00 H new ATOM 0 HA VAL A 48 106.677 -10.310 -8.153 1.00 0.00 H new ATOM 0 HB VAL A 48 106.720 -12.255 -10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.682 -13.211 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.946 -11.498 -9.727 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.519 -11.964 -8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.377 -14.052 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.181 -12.824 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.990 -12.937 -8.882 1.00 0.00 H new ATOM 770 N THR A 49 108.041 -8.846 -9.625 1.00 0.00 N ATOM 771 CA THR A 49 108.645 -7.746 -10.449 1.00 0.00 C ATOM 772 C THR A 49 109.368 -8.304 -11.681 1.00 0.00 C ATOM 773 O THR A 49 109.530 -7.616 -12.672 1.00 0.00 O ATOM 774 CB THR A 49 109.636 -7.030 -9.525 1.00 0.00 C ATOM 775 OG1 THR A 49 110.592 -7.965 -9.045 1.00 0.00 O ATOM 776 CG2 THR A 49 108.888 -6.407 -8.343 1.00 0.00 C ATOM 0 H THR A 49 108.420 -8.935 -8.682 1.00 0.00 H new ATOM 0 HA THR A 49 107.876 -7.070 -10.823 1.00 0.00 H new ATOM 0 HB THR A 49 110.143 -6.242 -10.081 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.216 -8.457 -8.285 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.598 -5.900 -7.690 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.157 -5.688 -8.713 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.376 -7.190 -7.783 1.00 0.00 H new ATOM 784 N LYS A 50 109.805 -9.540 -11.631 1.00 0.00 N ATOM 785 CA LYS A 50 110.604 -10.106 -12.770 1.00 0.00 C ATOM 786 C LYS A 50 109.809 -10.054 -14.079 1.00 0.00 C ATOM 787 O LYS A 50 110.382 -10.022 -15.154 1.00 0.00 O ATOM 788 CB LYS A 50 110.907 -11.558 -12.382 1.00 0.00 C ATOM 789 CG LYS A 50 111.820 -11.584 -11.153 1.00 0.00 C ATOM 790 CD LYS A 50 113.224 -11.116 -11.546 1.00 0.00 C ATOM 791 CE LYS A 50 114.175 -11.302 -10.361 1.00 0.00 C ATOM 792 NZ LYS A 50 115.540 -11.130 -10.932 1.00 0.00 N ATOM 0 H LYS A 50 109.645 -10.181 -10.854 1.00 0.00 H new ATOM 0 HA LYS A 50 111.516 -9.533 -12.938 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.979 -12.089 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.386 -12.074 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.416 -10.939 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.864 -12.592 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.581 -11.684 -12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.199 -10.068 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.979 -10.569 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 50 114.057 -12.288 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 116.248 -11.244 -10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 115.701 -11.846 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.625 -10.180 -11.347 1.00 0.00 H new ATOM 806 N ASP A 51 108.500 -10.046 -14.000 1.00 0.00 N ATOM 807 CA ASP A 51 107.679 -9.904 -15.246 1.00 0.00 C ATOM 808 C ASP A 51 107.430 -8.422 -15.586 1.00 0.00 C ATOM 809 O ASP A 51 106.628 -8.115 -16.450 1.00 0.00 O ATOM 810 CB ASP A 51 106.357 -10.645 -14.973 1.00 0.00 C ATOM 811 CG ASP A 51 105.622 -10.044 -13.767 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.429 -8.839 -13.746 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.259 -10.804 -12.884 1.00 0.00 O ATOM 0 H ASP A 51 107.967 -10.131 -13.134 1.00 0.00 H new ATOM 0 HA ASP A 51 108.196 -10.326 -16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.718 -10.592 -15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.560 -11.700 -14.790 1.00 0.00 H new ATOM 818 N ILE A 52 108.104 -7.503 -14.922 1.00 0.00 N ATOM 819 CA ILE A 52 107.990 -6.059 -15.320 1.00 0.00 C ATOM 820 C ILE A 52 108.811 -5.806 -16.588 1.00 0.00 C ATOM 821 O ILE A 52 110.026 -5.885 -16.576 1.00 0.00 O ATOM 822 CB ILE A 52 108.556 -5.252 -14.134 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.663 -5.463 -12.900 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.609 -3.751 -14.489 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.298 -4.784 -11.679 1.00 0.00 C ATOM 0 H ILE A 52 108.721 -7.689 -14.131 1.00 0.00 H new ATOM 0 HA ILE A 52 106.961 -5.772 -15.537 1.00 0.00 H new ATOM 0 HB ILE A 52 109.567 -5.597 -13.916 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.671 -5.050 -13.082 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.535 -6.529 -12.710 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.010 -3.191 -13.644 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.250 -3.605 -15.358 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.604 -3.395 -14.716 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.662 -4.936 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.281 -5.217 -11.492 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.403 -3.716 -11.870 1.00 0.00 H new ATOM 837 N LYS A 53 108.151 -5.504 -17.679 1.00 0.00 N ATOM 838 CA LYS A 53 108.889 -5.067 -18.906 1.00 0.00 C ATOM 839 C LYS A 53 109.245 -3.583 -18.806 1.00 0.00 C ATOM 840 O LYS A 53 110.322 -3.170 -19.194 1.00 0.00 O ATOM 841 CB LYS A 53 107.928 -5.307 -20.072 1.00 0.00 C ATOM 842 CG LYS A 53 108.650 -5.057 -21.398 1.00 0.00 C ATOM 843 CD LYS A 53 107.666 -5.232 -22.557 1.00 0.00 C ATOM 844 CE LYS A 53 108.420 -5.139 -23.885 1.00 0.00 C ATOM 845 NZ LYS A 53 107.358 -4.986 -24.919 1.00 0.00 N ATOM 0 H LYS A 53 107.136 -5.541 -17.774 1.00 0.00 H new ATOM 0 HA LYS A 53 109.822 -5.615 -19.035 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.551 -6.329 -20.040 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.066 -4.646 -19.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.069 -4.051 -21.412 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.483 -5.751 -21.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.163 -6.196 -22.479 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.893 -4.465 -22.511 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.104 -4.290 -23.892 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.019 -6.032 -24.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 107.645 -4.260 -25.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.218 -5.892 -25.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.468 -4.699 -24.463 1.00 0.00 H new ATOM 859 N ASP A 54 108.347 -2.780 -18.286 1.00 0.00 N ATOM 860 CA ASP A 54 108.576 -1.295 -18.286 1.00 0.00 C ATOM 861 C ASP A 54 107.839 -0.630 -17.122 1.00 0.00 C ATOM 862 O ASP A 54 106.773 -1.059 -16.730 1.00 0.00 O ATOM 863 CB ASP A 54 108.013 -0.799 -19.619 1.00 0.00 C ATOM 864 CG ASP A 54 108.916 -1.260 -20.766 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.119 -1.091 -20.651 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.389 -1.773 -21.739 1.00 0.00 O ATOM 0 H ASP A 54 107.470 -3.084 -17.863 1.00 0.00 H new ATOM 0 HA ASP A 54 109.632 -1.053 -18.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.003 -1.182 -19.763 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.944 0.289 -19.613 1.00 0.00 H new ATOM 871 N LEU A 55 108.404 0.422 -16.573 1.00 0.00 N ATOM 872 CA LEU A 55 107.790 1.079 -15.377 1.00 0.00 C ATOM 873 C LEU A 55 107.617 2.586 -15.609 1.00 0.00 C ATOM 874 O LEU A 55 108.436 3.221 -16.246 1.00 0.00 O ATOM 875 CB LEU A 55 108.784 0.842 -14.238 1.00 0.00 C ATOM 876 CG LEU A 55 108.690 -0.607 -13.759 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.020 -1.027 -13.131 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.576 -0.729 -12.715 1.00 0.00 C ATOM 0 H LEU A 55 109.267 0.853 -16.905 1.00 0.00 H new ATOM 0 HA LEU A 55 106.801 0.674 -15.162 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.797 1.057 -14.577 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.573 1.522 -13.412 1.00 0.00 H new ATOM 0 HG LEU A 55 108.468 -1.254 -14.608 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.951 -2.060 -12.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.815 -0.941 -13.872 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.243 -0.379 -12.283 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.509 -1.762 -12.374 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.799 -0.080 -11.868 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.626 -0.432 -13.160 1.00 0.00 H new ATOM 890 N ARG A 56 106.553 3.154 -15.093 1.00 0.00 N ATOM 891 CA ARG A 56 106.394 4.641 -15.118 1.00 0.00 C ATOM 892 C ARG A 56 105.592 5.100 -13.890 1.00 0.00 C ATOM 893 O ARG A 56 104.876 4.322 -13.286 1.00 0.00 O ATOM 894 CB ARG A 56 105.645 4.949 -16.427 1.00 0.00 C ATOM 895 CG ARG A 56 104.194 4.441 -16.356 1.00 0.00 C ATOM 896 CD ARG A 56 103.737 3.957 -17.737 1.00 0.00 C ATOM 897 NE ARG A 56 103.771 5.169 -18.621 1.00 0.00 N ATOM 898 CZ ARG A 56 103.761 5.061 -19.936 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.716 3.891 -20.532 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.794 6.144 -20.663 1.00 0.00 N ATOM 0 H ARG A 56 105.784 2.648 -14.653 1.00 0.00 H new ATOM 0 HA ARG A 56 107.349 5.165 -15.081 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.651 6.023 -16.611 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.159 4.479 -17.265 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.120 3.628 -15.634 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.538 5.238 -16.006 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.396 3.176 -18.117 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.734 3.533 -17.692 1.00 0.00 H new ATOM 0 HE ARG A 56 103.803 6.096 -18.196 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.688 3.036 -19.976 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.709 3.837 -21.551 1.00 0.00 H new ATOM 0 HH21 ARG A 56 103.827 7.059 -20.214 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.787 6.076 -21.681 1.00 0.00 H new ATOM 914 N ILE A 57 105.710 6.351 -13.521 1.00 0.00 N ATOM 915 CA ILE A 57 104.908 6.880 -12.372 1.00 0.00 C ATOM 916 C ILE A 57 103.857 7.866 -12.895 1.00 0.00 C ATOM 917 O ILE A 57 104.168 8.770 -13.649 1.00 0.00 O ATOM 918 CB ILE A 57 105.918 7.587 -11.452 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.990 6.590 -10.987 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.189 8.143 -10.223 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.184 7.351 -10.403 1.00 0.00 C ATOM 0 H ILE A 57 106.327 7.031 -13.965 1.00 0.00 H new ATOM 0 HA ILE A 57 104.376 6.093 -11.837 1.00 0.00 H new ATOM 0 HB ILE A 57 106.391 8.400 -12.003 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.574 5.917 -10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.314 5.973 -11.825 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.905 8.644 -9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.429 8.856 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.715 7.325 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.943 6.641 -10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.606 8.006 -11.165 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.854 7.949 -9.553 1.00 0.00 H new ATOM 933 N LEU A 58 102.618 7.697 -12.498 1.00 0.00 N ATOM 934 CA LEU A 58 101.526 8.563 -13.044 1.00 0.00 C ATOM 935 C LEU A 58 101.385 9.836 -12.192 1.00 0.00 C ATOM 936 O LEU A 58 101.727 9.826 -11.025 1.00 0.00 O ATOM 937 CB LEU A 58 100.249 7.719 -12.960 1.00 0.00 C ATOM 938 CG LEU A 58 100.386 6.469 -13.836 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.301 5.458 -13.457 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.234 6.852 -15.310 1.00 0.00 C ATOM 0 H LEU A 58 102.316 6.997 -11.820 1.00 0.00 H new ATOM 0 HA LEU A 58 101.731 8.880 -14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.063 7.429 -11.926 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.392 8.309 -13.285 1.00 0.00 H new ATOM 0 HG LEU A 58 101.369 6.025 -13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.398 4.569 -14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.412 5.181 -12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.318 5.904 -13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.332 5.961 -15.930 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.253 7.299 -15.470 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.009 7.569 -15.581 1.00 0.00 H new ATOM 952 N PRO A 59 100.883 10.900 -12.798 1.00 0.00 N ATOM 953 CA PRO A 59 100.672 12.171 -12.049 1.00 0.00 C ATOM 954 C PRO A 59 99.651 11.969 -10.922 1.00 0.00 C ATOM 955 O PRO A 59 98.818 11.082 -10.982 1.00 0.00 O ATOM 956 CB PRO A 59 100.133 13.149 -13.101 1.00 0.00 C ATOM 957 CG PRO A 59 100.405 12.511 -14.428 1.00 0.00 C ATOM 958 CD PRO A 59 100.475 11.027 -14.205 1.00 0.00 C ATOM 0 HA PRO A 59 101.585 12.533 -11.576 1.00 0.00 H new ATOM 0 HB2 PRO A 59 99.066 13.324 -12.962 1.00 0.00 H new ATOM 0 HB3 PRO A 59 100.627 14.118 -13.024 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.617 12.756 -15.141 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.340 12.881 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 59 99.512 10.550 -14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.195 10.556 -14.874 1.00 0.00 H new ATOM 966 N LYS A 60 99.713 12.786 -9.899 1.00 0.00 N ATOM 967 CA LYS A 60 98.739 12.661 -8.769 1.00 0.00 C ATOM 968 C LYS A 60 97.486 13.491 -9.062 1.00 0.00 C ATOM 969 O LYS A 60 97.561 14.688 -9.271 1.00 0.00 O ATOM 970 CB LYS A 60 99.470 13.209 -7.542 1.00 0.00 C ATOM 971 CG LYS A 60 100.638 12.286 -7.185 1.00 0.00 C ATOM 972 CD LYS A 60 101.299 12.773 -5.894 1.00 0.00 C ATOM 973 CE LYS A 60 102.536 11.922 -5.601 1.00 0.00 C ATOM 974 NZ LYS A 60 102.014 10.712 -4.907 1.00 0.00 N ATOM 0 H LYS A 60 100.397 13.536 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 60 98.414 11.631 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 60 99.837 14.215 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 60 98.782 13.284 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 60 100.282 11.263 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 60 101.366 12.273 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 60 101.581 13.822 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 60 100.594 12.707 -5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 60 103.059 11.656 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 60 103.247 12.461 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 102.809 10.102 -4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 101.484 10.999 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 101.385 10.188 -5.548 1.00 0.00 H new ATOM 988 N ASN A 61 96.336 12.859 -9.078 1.00 0.00 N ATOM 989 CA ASN A 61 95.069 13.596 -9.373 1.00 0.00 C ATOM 990 C ASN A 61 94.109 13.496 -8.184 1.00 0.00 C ATOM 991 O ASN A 61 93.801 12.415 -7.715 1.00 0.00 O ATOM 992 CB ASN A 61 94.480 12.893 -10.597 1.00 0.00 C ATOM 993 CG ASN A 61 93.349 13.743 -11.179 1.00 0.00 C ATOM 994 OD1 ASN A 61 93.571 14.857 -11.611 1.00 0.00 O ATOM 995 ND2 ASN A 61 92.136 13.263 -11.207 1.00 0.00 N ATOM 0 H ASN A 61 96.222 11.861 -8.899 1.00 0.00 H new ATOM 0 HA ASN A 61 95.241 14.657 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 61 95.255 12.737 -11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 61 94.103 11.909 -10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 61 91.375 13.823 -11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 61 91.949 12.328 -10.845 1.00 0.00 H new ATOM 1002 N GLU A 62 93.637 14.618 -7.696 1.00 0.00 N ATOM 1003 CA GLU A 62 92.678 14.603 -6.550 1.00 0.00 C ATOM 1004 C GLU A 62 91.257 14.877 -7.049 1.00 0.00 C ATOM 1005 O GLU A 62 91.055 15.637 -7.978 1.00 0.00 O ATOM 1006 CB GLU A 62 93.147 15.726 -5.622 1.00 0.00 C ATOM 1007 CG GLU A 62 94.517 15.374 -5.031 1.00 0.00 C ATOM 1008 CD GLU A 62 94.377 14.204 -4.052 1.00 0.00 C ATOM 1009 OE1 GLU A 62 93.419 14.199 -3.296 1.00 0.00 O ATOM 1010 OE2 GLU A 62 95.231 13.333 -4.076 1.00 0.00 O ATOM 0 H GLU A 62 93.877 15.546 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 62 92.657 13.639 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 62 93.209 16.664 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 62 92.423 15.875 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 62 95.210 15.110 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 62 94.935 16.240 -4.519 1.00 0.00 H new ATOM 1017 N ILE A 63 90.273 14.262 -6.437 1.00 0.00 N ATOM 1018 CA ILE A 63 88.855 14.471 -6.873 1.00 0.00 C ATOM 1019 C ILE A 63 88.002 14.956 -5.695 1.00 0.00 C ATOM 1020 O ILE A 63 88.318 14.705 -4.546 1.00 0.00 O ATOM 1021 CB ILE A 63 88.366 13.101 -7.376 1.00 0.00 C ATOM 1022 CG1 ILE A 63 88.509 12.042 -6.272 1.00 0.00 C ATOM 1023 CG2 ILE A 63 89.192 12.677 -8.594 1.00 0.00 C ATOM 1024 CD1 ILE A 63 87.743 10.779 -6.671 1.00 0.00 C ATOM 0 H ILE A 63 90.391 13.622 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 63 88.778 15.229 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 63 87.315 13.185 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 63 89.561 11.807 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 63 88.124 12.431 -5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.845 11.707 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 63 89.077 13.416 -9.387 1.00 0.00 H new ATOM 0 HG23 ILE A 63 90.243 12.606 -8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.845 10.029 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 63 86.689 11.021 -6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.149 10.387 -7.604 1.00 0.00 H new ATOM 1036 N MET A 64 86.924 15.648 -5.978 1.00 0.00 N ATOM 1037 CA MET A 64 86.033 16.144 -4.879 1.00 0.00 C ATOM 1038 C MET A 64 85.281 14.968 -4.230 1.00 0.00 C ATOM 1039 O MET A 64 85.099 13.942 -4.858 1.00 0.00 O ATOM 1040 CB MET A 64 85.050 17.129 -5.541 1.00 0.00 C ATOM 1041 CG MET A 64 84.250 16.436 -6.655 1.00 0.00 C ATOM 1042 SD MET A 64 82.755 17.393 -7.010 1.00 0.00 S ATOM 1043 CE MET A 64 83.440 18.393 -8.354 1.00 0.00 C ATOM 0 H MET A 64 86.622 15.891 -6.922 1.00 0.00 H new ATOM 0 HA MET A 64 86.602 16.631 -4.087 1.00 0.00 H new ATOM 0 HB2 MET A 64 84.367 17.528 -4.791 1.00 0.00 H new ATOM 0 HB3 MET A 64 85.599 17.975 -5.954 1.00 0.00 H new ATOM 0 HG2 MET A 64 84.860 16.347 -7.554 1.00 0.00 H new ATOM 0 HG3 MET A 64 83.983 15.424 -6.350 1.00 0.00 H new ATOM 0 HE1 MET A 64 82.673 19.070 -8.731 1.00 0.00 H new ATOM 0 HE2 MET A 64 84.285 18.973 -7.982 1.00 0.00 H new ATOM 0 HE3 MET A 64 83.775 17.739 -9.160 1.00 0.00 H new ATOM 1053 N PRO A 65 84.867 15.150 -2.989 1.00 0.00 N ATOM 1054 CA PRO A 65 84.126 14.076 -2.273 1.00 0.00 C ATOM 1055 C PRO A 65 82.759 13.843 -2.927 1.00 0.00 C ATOM 1056 O PRO A 65 82.081 14.779 -3.311 1.00 0.00 O ATOM 1057 CB PRO A 65 83.967 14.618 -0.851 1.00 0.00 C ATOM 1058 CG PRO A 65 84.147 16.098 -0.966 1.00 0.00 C ATOM 1059 CD PRO A 65 85.042 16.347 -2.149 1.00 0.00 C ATOM 0 HA PRO A 65 84.643 13.117 -2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 65 82.986 14.372 -0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 65 84.708 14.183 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 65 83.185 16.593 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 65 84.590 16.503 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 65 84.755 17.254 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 65 86.081 16.472 -1.844 1.00 0.00 H new ATOM 1067 N LYS A 66 82.355 12.602 -3.052 1.00 0.00 N ATOM 1068 CA LYS A 66 81.033 12.292 -3.681 1.00 0.00 C ATOM 1069 C LYS A 66 80.186 11.435 -2.737 1.00 0.00 C ATOM 1070 O LYS A 66 80.691 10.551 -2.070 1.00 0.00 O ATOM 1071 CB LYS A 66 81.371 11.513 -4.954 1.00 0.00 C ATOM 1072 CG LYS A 66 82.095 12.432 -5.941 1.00 0.00 C ATOM 1073 CD LYS A 66 82.330 11.685 -7.256 1.00 0.00 C ATOM 1074 CE LYS A 66 83.157 12.560 -8.200 1.00 0.00 C ATOM 1075 NZ LYS A 66 83.650 11.629 -9.253 1.00 0.00 N ATOM 0 H LYS A 66 82.886 11.787 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 66 80.457 13.192 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 66 81.999 10.656 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 66 80.459 11.123 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 66 81.502 13.329 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 66 83.046 12.758 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 66 82.849 10.746 -7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 66 81.376 11.433 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 66 82.552 13.358 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 66 83.985 13.036 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.227 12.156 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 84.228 10.884 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 82.840 11.197 -9.741 1.00 0.00 H new ATOM 1089 N ASN A 67 78.902 11.693 -2.679 1.00 0.00 N ATOM 1090 CA ASN A 67 78.005 10.892 -1.790 1.00 0.00 C ATOM 1091 C ASN A 67 77.088 10.000 -2.631 1.00 0.00 C ATOM 1092 O ASN A 67 76.471 10.452 -3.579 1.00 0.00 O ATOM 1093 CB ASN A 67 77.185 11.926 -1.016 1.00 0.00 C ATOM 1094 CG ASN A 67 78.102 12.706 -0.071 1.00 0.00 C ATOM 1095 OD1 ASN A 67 78.115 13.920 -0.083 1.00 0.00 O ATOM 1096 ND2 ASN A 67 78.875 12.054 0.754 1.00 0.00 N ATOM 0 H ASN A 67 78.435 12.427 -3.212 1.00 0.00 H new ATOM 0 HA ASN A 67 78.564 10.235 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 67 76.695 12.609 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 67 76.398 11.430 -0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 67 79.490 12.564 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 67 78.865 11.034 0.765 1.00 0.00 H new ATOM 1103 N GLY A 68 76.996 8.738 -2.289 1.00 0.00 N ATOM 1104 CA GLY A 68 76.123 7.804 -3.063 1.00 0.00 C ATOM 1105 C GLY A 68 76.223 6.398 -2.469 1.00 0.00 C ATOM 1106 O GLY A 68 76.867 6.189 -1.457 1.00 0.00 O ATOM 0 H GLY A 68 77.490 8.314 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 68 75.089 8.149 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 68 76.426 7.790 -4.110 1.00 0.00 H new ATOM 1110 N THR A 69 75.589 5.434 -3.094 1.00 0.00 N ATOM 1111 CA THR A 69 75.639 4.031 -2.579 1.00 0.00 C ATOM 1112 C THR A 69 76.167 3.089 -3.665 1.00 0.00 C ATOM 1113 O THR A 69 76.242 3.450 -4.825 1.00 0.00 O ATOM 1114 CB THR A 69 74.191 3.683 -2.226 1.00 0.00 C ATOM 1115 OG1 THR A 69 73.360 3.927 -3.353 1.00 0.00 O ATOM 1116 CG2 THR A 69 73.726 4.543 -1.049 1.00 0.00 C ATOM 0 H THR A 69 75.037 5.561 -3.942 1.00 0.00 H new ATOM 0 HA THR A 69 76.302 3.931 -1.720 1.00 0.00 H new ATOM 0 HB THR A 69 74.128 2.631 -1.948 1.00 0.00 H new ATOM 0 HG1 THR A 69 72.432 3.703 -3.130 1.00 0.00 H new ATOM 0 HG21 THR A 69 72.695 4.293 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 69 74.364 4.353 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 69 73.788 5.597 -1.321 1.00 0.00 H new ATOM 1124 N LYS A 70 76.533 1.886 -3.293 1.00 0.00 N ATOM 1125 CA LYS A 70 77.063 0.910 -4.295 1.00 0.00 C ATOM 1126 C LYS A 70 75.962 -0.060 -4.744 1.00 0.00 C ATOM 1127 O LYS A 70 76.241 -1.175 -5.147 1.00 0.00 O ATOM 1128 CB LYS A 70 78.176 0.155 -3.565 1.00 0.00 C ATOM 1129 CG LYS A 70 79.328 1.113 -3.250 1.00 0.00 C ATOM 1130 CD LYS A 70 80.483 0.333 -2.620 1.00 0.00 C ATOM 1131 CE LYS A 70 81.581 1.307 -2.187 1.00 0.00 C ATOM 1132 NZ LYS A 70 82.291 0.617 -1.074 1.00 0.00 N ATOM 0 H LYS A 70 76.487 1.538 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 70 77.426 1.408 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 70 77.790 -0.280 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 70 78.534 -0.670 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 70 79.664 1.607 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 70 78.989 1.895 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 70 80.126 -0.235 -1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 70 80.882 -0.387 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 70 82.260 1.529 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 70 81.159 2.256 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 83.060 1.224 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 81.622 0.425 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 82.688 -0.280 -1.419 1.00 0.00 H new ATOM 1146 N SER A 71 74.718 0.353 -4.675 1.00 0.00 N ATOM 1147 CA SER A 71 73.597 -0.545 -5.098 1.00 0.00 C ATOM 1148 C SER A 71 73.574 -0.694 -6.632 1.00 0.00 C ATOM 1149 O SER A 71 73.645 -1.803 -7.129 1.00 0.00 O ATOM 1150 CB SER A 71 72.315 0.125 -4.592 1.00 0.00 C ATOM 1151 OG SER A 71 71.960 -0.433 -3.334 1.00 0.00 O ATOM 0 H SER A 71 74.431 1.274 -4.344 1.00 0.00 H new ATOM 0 HA SER A 71 73.707 -1.550 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 71 72.466 1.200 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.507 -0.021 -5.309 1.00 0.00 H new ATOM 0 HG SER A 71 71.141 -0.006 -3.006 1.00 0.00 H new ATOM 1157 N PRO A 72 73.475 0.418 -7.345 1.00 0.00 N ATOM 1158 CA PRO A 72 73.410 0.350 -8.830 1.00 0.00 C ATOM 1159 C PRO A 72 74.761 -0.091 -9.411 1.00 0.00 C ATOM 1160 O PRO A 72 74.819 -0.703 -10.462 1.00 0.00 O ATOM 1161 CB PRO A 72 73.073 1.779 -9.255 1.00 0.00 C ATOM 1162 CG PRO A 72 73.493 2.645 -8.111 1.00 0.00 C ATOM 1163 CD PRO A 72 73.417 1.810 -6.860 1.00 0.00 C ATOM 0 HA PRO A 72 72.677 -0.373 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 72 73.601 2.052 -10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 72 72.008 1.887 -9.459 1.00 0.00 H new ATOM 0 HG2 PRO A 72 74.506 3.016 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 72 72.843 3.516 -8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 72 74.243 2.030 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 72 72.496 2.001 -6.310 1.00 0.00 H new ATOM 1171 N SER A 73 75.842 0.216 -8.734 1.00 0.00 N ATOM 1172 CA SER A 73 77.192 -0.182 -9.240 1.00 0.00 C ATOM 1173 C SER A 73 77.625 -1.506 -8.604 1.00 0.00 C ATOM 1174 O SER A 73 77.273 -1.807 -7.478 1.00 0.00 O ATOM 1175 CB SER A 73 78.127 0.949 -8.812 1.00 0.00 C ATOM 1176 OG SER A 73 79.419 0.722 -9.361 1.00 0.00 O ATOM 0 H SER A 73 75.846 0.726 -7.851 1.00 0.00 H new ATOM 0 HA SER A 73 77.201 -0.330 -10.320 1.00 0.00 H new ATOM 0 HB2 SER A 73 77.737 1.908 -9.154 1.00 0.00 H new ATOM 0 HB3 SER A 73 78.184 0.997 -7.725 1.00 0.00 H new ATOM 0 HG SER A 73 80.021 1.446 -9.090 1.00 0.00 H new ATOM 1182 N THR A 74 78.387 -2.296 -9.322 1.00 0.00 N ATOM 1183 CA THR A 74 78.842 -3.615 -8.778 1.00 0.00 C ATOM 1184 C THR A 74 80.358 -3.772 -8.958 1.00 0.00 C ATOM 1185 O THR A 74 80.979 -3.042 -9.708 1.00 0.00 O ATOM 1186 CB THR A 74 78.076 -4.676 -9.587 1.00 0.00 C ATOM 1187 OG1 THR A 74 78.448 -5.969 -9.132 1.00 0.00 O ATOM 1188 CG2 THR A 74 78.393 -4.550 -11.083 1.00 0.00 C ATOM 0 H THR A 74 78.714 -2.083 -10.264 1.00 0.00 H new ATOM 0 HA THR A 74 78.645 -3.709 -7.710 1.00 0.00 H new ATOM 0 HB THR A 74 77.006 -4.523 -9.444 1.00 0.00 H new ATOM 0 HG1 THR A 74 77.961 -6.648 -9.644 1.00 0.00 H new ATOM 0 HG21 THR A 74 77.841 -5.309 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 74 78.101 -3.560 -11.435 1.00 0.00 H new ATOM 0 HG23 THR A 74 79.462 -4.691 -11.241 1.00 0.00 H new ATOM 1196 N ASN A 75 80.950 -4.720 -8.272 1.00 0.00 N ATOM 1197 CA ASN A 75 82.429 -4.925 -8.379 1.00 0.00 C ATOM 1198 C ASN A 75 82.740 -6.128 -9.280 1.00 0.00 C ATOM 1199 O ASN A 75 81.875 -6.634 -9.972 1.00 0.00 O ATOM 1200 CB ASN A 75 82.916 -5.164 -6.939 1.00 0.00 C ATOM 1201 CG ASN A 75 82.258 -6.416 -6.343 1.00 0.00 C ATOM 1202 OD1 ASN A 75 81.049 -6.541 -6.347 1.00 0.00 O ATOM 1203 ND2 ASN A 75 83.009 -7.350 -5.829 1.00 0.00 N ATOM 0 H ASN A 75 80.471 -5.362 -7.641 1.00 0.00 H new ATOM 0 HA ASN A 75 82.930 -4.068 -8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 75 84.000 -5.278 -6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 75 82.682 -4.296 -6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 75 82.582 -8.186 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 75 84.024 -7.245 -5.826 1.00 0.00 H new ATOM 1210 N SER A 76 83.970 -6.585 -9.271 1.00 0.00 N ATOM 1211 CA SER A 76 84.372 -7.709 -10.181 1.00 0.00 C ATOM 1212 C SER A 76 83.627 -8.999 -9.817 1.00 0.00 C ATOM 1213 O SER A 76 83.364 -9.828 -10.669 1.00 0.00 O ATOM 1214 CB SER A 76 85.877 -7.886 -9.966 1.00 0.00 C ATOM 1215 OG SER A 76 86.110 -8.374 -8.651 1.00 0.00 O ATOM 0 H SER A 76 84.715 -6.229 -8.672 1.00 0.00 H new ATOM 0 HA SER A 76 84.129 -7.489 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 76 86.282 -8.581 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 76 86.391 -6.935 -10.110 1.00 0.00 H new ATOM 0 HG SER A 76 87.073 -8.490 -8.511 1.00 0.00 H new ATOM 1221 N THR A 77 83.285 -9.172 -8.562 1.00 0.00 N ATOM 1222 CA THR A 77 82.583 -10.424 -8.134 1.00 0.00 C ATOM 1223 C THR A 77 81.289 -10.082 -7.390 1.00 0.00 C ATOM 1224 O THR A 77 81.188 -9.053 -6.748 1.00 0.00 O ATOM 1225 CB THR A 77 83.563 -11.141 -7.200 1.00 0.00 C ATOM 1226 OG1 THR A 77 83.938 -10.268 -6.141 1.00 0.00 O ATOM 1227 CG2 THR A 77 84.807 -11.569 -7.985 1.00 0.00 C ATOM 0 H THR A 77 83.462 -8.500 -7.815 1.00 0.00 H new ATOM 0 HA THR A 77 82.306 -11.046 -8.985 1.00 0.00 H new ATOM 0 HB THR A 77 83.082 -12.026 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.564 -10.728 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 77 85.501 -12.079 -7.317 1.00 0.00 H new ATOM 0 HG22 THR A 77 84.515 -12.245 -8.789 1.00 0.00 H new ATOM 0 HG23 THR A 77 85.291 -10.689 -8.408 1.00 0.00 H new ATOM 1235 N LYS A 78 80.302 -10.940 -7.477 1.00 0.00 N ATOM 1236 CA LYS A 78 79.007 -10.683 -6.768 1.00 0.00 C ATOM 1237 C LYS A 78 79.115 -11.087 -5.294 1.00 0.00 C ATOM 1238 O LYS A 78 78.484 -10.497 -4.436 1.00 0.00 O ATOM 1239 CB LYS A 78 77.971 -11.552 -7.487 1.00 0.00 C ATOM 1240 CG LYS A 78 77.769 -11.033 -8.913 1.00 0.00 C ATOM 1241 CD LYS A 78 76.654 -11.830 -9.593 1.00 0.00 C ATOM 1242 CE LYS A 78 76.521 -11.380 -11.050 1.00 0.00 C ATOM 1243 NZ LYS A 78 77.599 -12.107 -11.777 1.00 0.00 N ATOM 0 H LYS A 78 80.336 -11.809 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 78 78.735 -9.628 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 78 78.304 -12.589 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 78 77.026 -11.533 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 78 77.513 -9.974 -8.893 1.00 0.00 H new ATOM 0 HG3 LYS A 78 78.695 -11.127 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 78 76.876 -12.896 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 78 75.711 -11.679 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 78 75.538 -11.627 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 78 76.641 -10.301 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 77.330 -12.219 -12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 78.485 -11.566 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 77.735 -13.045 -11.348 1.00 0.00 H new ATOM 1257 N LEU A 79 79.909 -12.089 -4.997 1.00 0.00 N ATOM 1258 CA LEU A 79 80.048 -12.552 -3.582 1.00 0.00 C ATOM 1259 C LEU A 79 81.230 -11.847 -2.910 1.00 0.00 C ATOM 1260 O LEU A 79 82.311 -11.768 -3.465 1.00 0.00 O ATOM 1261 CB LEU A 79 80.303 -14.057 -3.678 1.00 0.00 C ATOM 1262 CG LEU A 79 80.196 -14.685 -2.287 1.00 0.00 C ATOM 1263 CD1 LEU A 79 78.722 -14.848 -1.912 1.00 0.00 C ATOM 1264 CD2 LEU A 79 80.874 -16.057 -2.295 1.00 0.00 C ATOM 0 H LEU A 79 80.467 -12.606 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 79 79.164 -12.328 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 79 79.580 -14.516 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 79 81.292 -14.243 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 79 80.687 -14.040 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 79 78.646 -15.295 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 79 78.238 -13.872 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 79 78.231 -15.493 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 79 80.799 -16.506 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 79 80.382 -16.701 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 79 81.924 -15.942 -2.562 1.00 0.00 H new ATOM 1276 N LYS A 80 81.029 -11.338 -1.718 1.00 0.00 N ATOM 1277 CA LYS A 80 82.124 -10.606 -1.009 1.00 0.00 C ATOM 1278 C LYS A 80 82.800 -11.519 0.022 1.00 0.00 C ATOM 1279 O LYS A 80 83.290 -11.059 1.037 1.00 0.00 O ATOM 1280 CB LYS A 80 81.432 -9.433 -0.311 1.00 0.00 C ATOM 1281 CG LYS A 80 80.878 -8.465 -1.358 1.00 0.00 C ATOM 1282 CD LYS A 80 80.270 -7.248 -0.658 1.00 0.00 C ATOM 1283 CE LYS A 80 79.604 -6.341 -1.694 1.00 0.00 C ATOM 1284 NZ LYS A 80 80.707 -5.497 -2.232 1.00 0.00 N ATOM 0 H LYS A 80 80.150 -11.399 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 80 82.903 -10.273 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 80 80.625 -9.799 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 80 82.138 -8.916 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.673 -8.149 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 80 80.123 -8.963 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 80 79.538 -7.570 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 80 81.045 -6.699 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 80 79.132 -6.925 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 80 78.824 -5.729 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.325 -4.835 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 81.144 -4.961 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 81.423 -6.105 -2.679 1.00 0.00 H new ATOM 1298 N SER A 81 82.830 -12.806 -0.233 1.00 0.00 N ATOM 1299 CA SER A 81 83.459 -13.757 0.740 1.00 0.00 C ATOM 1300 C SER A 81 84.973 -13.525 0.812 1.00 0.00 C ATOM 1301 O SER A 81 85.586 -13.706 1.848 1.00 0.00 O ATOM 1302 CB SER A 81 83.160 -15.156 0.196 1.00 0.00 C ATOM 1303 OG SER A 81 83.865 -15.346 -1.023 1.00 0.00 O ATOM 0 H SER A 81 82.446 -13.239 -1.073 1.00 0.00 H new ATOM 0 HA SER A 81 83.067 -13.622 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 81 83.456 -15.912 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 81 82.089 -15.274 0.032 1.00 0.00 H new ATOM 0 HG SER A 81 83.808 -16.287 -1.291 1.00 0.00 H new ATOM 1309 N ALA A 82 85.575 -13.124 -0.283 1.00 0.00 N ATOM 1310 CA ALA A 82 87.053 -12.878 -0.288 1.00 0.00 C ATOM 1311 C ALA A 82 87.391 -11.652 0.566 1.00 0.00 C ATOM 1312 O ALA A 82 88.431 -11.597 1.198 1.00 0.00 O ATOM 1313 CB ALA A 82 87.420 -12.626 -1.753 1.00 0.00 C ATOM 0 H ALA A 82 85.107 -12.956 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 82 87.606 -13.720 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 82 88.491 -12.438 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 82 87.160 -13.501 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 82 86.871 -11.760 -2.122 1.00 0.00 H new ATOM 1319 N GLU A 83 86.520 -10.673 0.587 1.00 0.00 N ATOM 1320 CA GLU A 83 86.787 -9.437 1.384 1.00 0.00 C ATOM 1321 C GLU A 83 85.964 -9.451 2.676 1.00 0.00 C ATOM 1322 O GLU A 83 84.806 -9.826 2.677 1.00 0.00 O ATOM 1323 CB GLU A 83 86.351 -8.282 0.480 1.00 0.00 C ATOM 1324 CG GLU A 83 86.768 -6.950 1.108 1.00 0.00 C ATOM 1325 CD GLU A 83 86.219 -5.792 0.271 1.00 0.00 C ATOM 1326 OE1 GLU A 83 85.071 -5.870 -0.135 1.00 0.00 O ATOM 1327 OE2 GLU A 83 86.957 -4.846 0.050 1.00 0.00 O ATOM 0 H GLU A 83 85.633 -10.678 0.084 1.00 0.00 H new ATOM 0 HA GLU A 83 87.833 -9.352 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 83 86.804 -8.388 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 83 85.270 -8.306 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 83 86.392 -6.884 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 83 87.855 -6.888 1.164 1.00 0.00 H new ATOM 1334 N THR A 84 86.558 -9.045 3.772 1.00 0.00 N ATOM 1335 CA THR A 84 85.819 -9.017 5.073 1.00 0.00 C ATOM 1336 C THR A 84 85.892 -7.618 5.691 1.00 0.00 C ATOM 1337 O THR A 84 86.722 -6.810 5.318 1.00 0.00 O ATOM 1338 CB THR A 84 86.539 -10.034 5.961 1.00 0.00 C ATOM 1339 OG1 THR A 84 87.926 -9.728 6.001 1.00 0.00 O ATOM 1340 CG2 THR A 84 86.340 -11.443 5.398 1.00 0.00 C ATOM 0 H THR A 84 87.527 -8.731 3.821 1.00 0.00 H new ATOM 0 HA THR A 84 84.763 -9.257 4.953 1.00 0.00 H new ATOM 0 HB THR A 84 86.127 -9.989 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 84 88.388 -10.378 6.571 1.00 0.00 H new ATOM 0 HG21 THR A 84 86.854 -12.165 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 84 85.276 -11.677 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 84 86.748 -11.492 4.389 1.00 0.00 H new ATOM 1348 N TYR A 85 85.027 -7.331 6.634 1.00 0.00 N ATOM 1349 CA TYR A 85 85.038 -5.988 7.292 1.00 0.00 C ATOM 1350 C TYR A 85 85.587 -6.091 8.720 1.00 0.00 C ATOM 1351 O TYR A 85 85.239 -5.305 9.582 1.00 0.00 O ATOM 1352 CB TYR A 85 83.575 -5.545 7.313 1.00 0.00 C ATOM 1353 CG TYR A 85 82.979 -5.370 5.936 1.00 0.00 C ATOM 1354 CD1 TYR A 85 83.217 -4.178 5.208 1.00 0.00 C ATOM 1355 CD2 TYR A 85 82.182 -6.396 5.373 1.00 0.00 C ATOM 1356 CE1 TYR A 85 82.658 -4.013 3.917 1.00 0.00 C ATOM 1357 CE2 TYR A 85 81.623 -6.231 4.082 1.00 0.00 C ATOM 1358 CZ TYR A 85 81.861 -5.040 3.354 1.00 0.00 C ATOM 1359 OH TYR A 85 81.317 -4.879 2.096 1.00 0.00 O ATOM 0 H TYR A 85 84.312 -7.972 6.977 1.00 0.00 H new ATOM 0 HA TYR A 85 85.674 -5.279 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 85 82.989 -6.281 7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 85 83.496 -4.604 7.857 1.00 0.00 H new ATOM 0 HD1 TYR A 85 83.825 -3.395 5.637 1.00 0.00 H new ATOM 0 HD2 TYR A 85 82.000 -7.305 5.928 1.00 0.00 H new ATOM 0 HE1 TYR A 85 82.839 -3.104 3.362 1.00 0.00 H new ATOM 0 HE2 TYR A 85 81.015 -7.014 3.653 1.00 0.00 H new ATOM 0 HH TYR A 85 80.799 -5.676 1.859 1.00 0.00 H new ATOM 1369 N SER A 86 86.442 -7.055 8.975 1.00 0.00 N ATOM 1370 CA SER A 86 87.015 -7.219 10.347 1.00 0.00 C ATOM 1371 C SER A 86 88.545 -7.171 10.289 1.00 0.00 C ATOM 1372 O SER A 86 89.148 -7.580 9.313 1.00 0.00 O ATOM 1373 CB SER A 86 86.540 -8.595 10.811 1.00 0.00 C ATOM 1374 OG SER A 86 85.119 -8.633 10.790 1.00 0.00 O ATOM 0 H SER A 86 86.767 -7.736 8.289 1.00 0.00 H new ATOM 0 HA SER A 86 86.697 -6.427 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 86 86.946 -9.371 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 86 86.906 -8.799 11.817 1.00 0.00 H new ATOM 0 HG SER A 86 84.811 -9.515 11.086 1.00 0.00 H new ATOM 1380 N SER A 87 89.172 -6.675 11.328 1.00 0.00 N ATOM 1381 CA SER A 87 90.665 -6.597 11.350 1.00 0.00 C ATOM 1382 C SER A 87 91.222 -7.445 12.497 1.00 0.00 C ATOM 1383 O SER A 87 90.575 -7.629 13.512 1.00 0.00 O ATOM 1384 CB SER A 87 90.981 -5.119 11.574 1.00 0.00 C ATOM 1385 OG SER A 87 90.506 -4.727 12.856 1.00 0.00 O ATOM 0 H SER A 87 88.711 -6.319 12.165 1.00 0.00 H new ATOM 0 HA SER A 87 91.112 -6.974 10.430 1.00 0.00 H new ATOM 0 HB2 SER A 87 92.056 -4.950 11.504 1.00 0.00 H new ATOM 0 HB3 SER A 87 90.512 -4.513 10.799 1.00 0.00 H new ATOM 0 HG SER A 87 90.708 -3.780 13.004 1.00 0.00 H new ATOM 1391 N LYS A 88 92.417 -7.961 12.338 1.00 0.00 N ATOM 1392 CA LYS A 88 93.029 -8.800 13.413 1.00 0.00 C ATOM 1393 C LYS A 88 94.070 -7.987 14.189 1.00 0.00 C ATOM 1394 O LYS A 88 94.831 -7.231 13.614 1.00 0.00 O ATOM 1395 CB LYS A 88 93.697 -9.964 12.678 1.00 0.00 C ATOM 1396 CG LYS A 88 92.626 -10.844 12.031 1.00 0.00 C ATOM 1397 CD LYS A 88 93.287 -12.065 11.388 1.00 0.00 C ATOM 1398 CE LYS A 88 92.233 -12.882 10.637 1.00 0.00 C ATOM 1399 NZ LYS A 88 92.070 -12.188 9.329 1.00 0.00 N ATOM 0 H LYS A 88 92.995 -7.836 11.507 1.00 0.00 H new ATOM 0 HA LYS A 88 92.291 -9.146 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 88 94.378 -9.584 11.917 1.00 0.00 H new ATOM 0 HB3 LYS A 88 94.294 -10.553 13.375 1.00 0.00 H new ATOM 0 HG2 LYS A 88 91.901 -11.162 12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 88 92.079 -10.275 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 88 94.072 -11.747 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 88 93.761 -12.680 12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 88 92.557 -13.914 10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 88 91.292 -12.914 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 91.058 -12.100 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 92.496 -11.241 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 92.542 -12.738 8.583 1.00 0.00 H new ATOM 1413 N ASN A 89 94.105 -8.141 15.491 1.00 0.00 N ATOM 1414 CA ASN A 89 95.094 -7.384 16.320 1.00 0.00 C ATOM 1415 C ASN A 89 96.093 -8.347 16.971 1.00 0.00 C ATOM 1416 O ASN A 89 96.584 -8.099 18.057 1.00 0.00 O ATOM 1417 CB ASN A 89 94.257 -6.676 17.387 1.00 0.00 C ATOM 1418 CG ASN A 89 93.378 -5.609 16.730 1.00 0.00 C ATOM 1419 OD1 ASN A 89 93.793 -4.956 15.792 1.00 0.00 O ATOM 1420 ND2 ASN A 89 92.173 -5.403 17.185 1.00 0.00 N ATOM 0 H ASN A 89 93.489 -8.761 16.016 1.00 0.00 H new ATOM 0 HA ASN A 89 95.677 -6.681 15.725 1.00 0.00 H new ATOM 0 HB2 ASN A 89 93.635 -7.399 17.914 1.00 0.00 H new ATOM 0 HB3 ASN A 89 94.910 -6.217 18.129 1.00 0.00 H new ATOM 0 HD21 ASN A 89 91.579 -4.694 16.754 1.00 0.00 H new ATOM 0 HD22 ASN A 89 91.824 -5.951 17.972 1.00 0.00 H new ATOM 1427 N LYS A 90 96.395 -9.441 16.313 1.00 0.00 N ATOM 1428 CA LYS A 90 97.358 -10.430 16.890 1.00 0.00 C ATOM 1429 C LYS A 90 98.789 -10.087 16.460 1.00 0.00 C ATOM 1430 O LYS A 90 99.610 -9.697 17.270 1.00 0.00 O ATOM 1431 CB LYS A 90 96.931 -11.787 16.323 1.00 0.00 C ATOM 1432 CG LYS A 90 95.563 -12.172 16.890 1.00 0.00 C ATOM 1433 CD LYS A 90 95.123 -13.513 16.298 1.00 0.00 C ATOM 1434 CE LYS A 90 95.894 -14.649 16.975 1.00 0.00 C ATOM 1435 NZ LYS A 90 95.137 -14.936 18.225 1.00 0.00 N ATOM 0 H LYS A 90 96.015 -9.691 15.400 1.00 0.00 H new ATOM 0 HA LYS A 90 97.346 -10.429 17.980 1.00 0.00 H new ATOM 0 HB2 LYS A 90 96.885 -11.740 15.235 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.669 -12.548 16.578 1.00 0.00 H new ATOM 0 HG2 LYS A 90 95.615 -12.242 17.977 1.00 0.00 H new ATOM 0 HG3 LYS A 90 94.830 -11.401 16.654 1.00 0.00 H new ATOM 0 HD2 LYS A 90 94.051 -13.651 16.441 1.00 0.00 H new ATOM 0 HD3 LYS A 90 95.306 -13.525 15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 90 95.945 -15.529 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 90 96.920 -14.354 17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 95.801 -15.201 18.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 94.607 -14.089 18.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 94.473 -15.719 18.057 1.00 0.00 H new ATOM 1449 N TRP A 91 99.089 -10.230 15.191 1.00 0.00 N ATOM 1450 CA TRP A 91 100.462 -9.908 14.693 1.00 0.00 C ATOM 1451 C TRP A 91 100.408 -8.724 13.722 1.00 0.00 C ATOM 1452 O TRP A 91 99.512 -8.625 12.904 1.00 0.00 O ATOM 1453 CB TRP A 91 100.927 -11.172 13.971 1.00 0.00 C ATOM 1454 CG TRP A 91 101.074 -12.355 14.874 1.00 0.00 C ATOM 1455 CD1 TRP A 91 100.216 -13.402 14.927 1.00 0.00 C ATOM 1456 CD2 TRP A 91 102.120 -12.629 15.849 1.00 0.00 C ATOM 1457 NE1 TRP A 91 100.667 -14.307 15.874 1.00 0.00 N ATOM 1458 CE2 TRP A 91 101.836 -13.882 16.474 1.00 0.00 C ATOM 1459 CE3 TRP A 91 103.285 -11.923 16.257 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 102.678 -14.419 17.470 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 104.136 -12.459 17.260 1.00 0.00 C ATOM 1462 CH2 TRP A 91 103.832 -13.705 17.865 1.00 0.00 C ATOM 0 H TRP A 91 98.438 -10.557 14.477 1.00 0.00 H new ATOM 0 HA TRP A 91 101.139 -9.627 15.500 1.00 0.00 H new ATOM 0 HB2 TRP A 91 100.214 -11.413 13.182 1.00 0.00 H new ATOM 0 HB3 TRP A 91 101.883 -10.973 13.487 1.00 0.00 H new ATOM 0 HD1 TRP A 91 99.324 -13.513 14.328 1.00 0.00 H new ATOM 0 HE1 TRP A 91 100.193 -15.181 16.101 1.00 0.00 H new ATOM 0 HE3 TRP A 91 103.524 -10.973 15.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 102.443 -15.369 17.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 105.018 -11.915 17.563 1.00 0.00 H new ATOM 0 HH2 TRP A 91 104.482 -14.108 18.627 1.00 0.00 H new ATOM 1473 N SER A 92 101.362 -7.828 13.811 1.00 0.00 N ATOM 1474 CA SER A 92 101.387 -6.651 12.890 1.00 0.00 C ATOM 1475 C SER A 92 102.718 -6.598 12.135 1.00 0.00 C ATOM 1476 O SER A 92 103.761 -6.909 12.682 1.00 0.00 O ATOM 1477 CB SER A 92 101.238 -5.433 13.801 1.00 0.00 C ATOM 1478 OG SER A 92 100.027 -5.542 14.537 1.00 0.00 O ATOM 0 H SER A 92 102.127 -7.863 14.485 1.00 0.00 H new ATOM 0 HA SER A 92 100.598 -6.697 12.139 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.086 -5.368 14.482 1.00 0.00 H new ATOM 0 HB3 SER A 92 101.235 -4.519 13.207 1.00 0.00 H new ATOM 0 HG SER A 92 99.929 -4.763 15.124 1.00 0.00 H new ATOM 1484 N MET A 93 102.687 -6.206 10.885 1.00 0.00 N ATOM 1485 CA MET A 93 103.947 -6.119 10.084 1.00 0.00 C ATOM 1486 C MET A 93 104.323 -4.653 9.849 1.00 0.00 C ATOM 1487 O MET A 93 105.483 -4.287 9.899 1.00 0.00 O ATOM 1488 CB MET A 93 103.623 -6.809 8.758 1.00 0.00 C ATOM 1489 CG MET A 93 103.406 -8.304 8.998 1.00 0.00 C ATOM 1490 SD MET A 93 103.151 -9.139 7.412 1.00 0.00 S ATOM 1491 CE MET A 93 102.780 -10.781 8.077 1.00 0.00 C ATOM 0 H MET A 93 101.839 -5.941 10.383 1.00 0.00 H new ATOM 0 HA MET A 93 104.791 -6.587 10.590 1.00 0.00 H new ATOM 0 HB2 MET A 93 102.730 -6.368 8.315 1.00 0.00 H new ATOM 0 HB3 MET A 93 104.437 -6.658 8.049 1.00 0.00 H new ATOM 0 HG2 MET A 93 104.268 -8.730 9.511 1.00 0.00 H new ATOM 0 HG3 MET A 93 102.542 -8.458 9.645 1.00 0.00 H new ATOM 0 HE1 MET A 93 102.586 -11.471 7.256 1.00 0.00 H new ATOM 0 HE2 MET A 93 103.630 -11.139 8.658 1.00 0.00 H new ATOM 0 HE3 MET A 93 101.900 -10.724 8.718 1.00 0.00 H new ATOM 1501 N ASP A 94 103.347 -3.816 9.593 1.00 0.00 N ATOM 1502 CA ASP A 94 103.633 -2.369 9.347 1.00 0.00 C ATOM 1503 C ASP A 94 103.454 -1.568 10.641 1.00 0.00 C ATOM 1504 O ASP A 94 102.471 -1.721 11.342 1.00 0.00 O ATOM 1505 CB ASP A 94 102.607 -1.934 8.298 1.00 0.00 C ATOM 1506 CG ASP A 94 102.945 -0.526 7.803 1.00 0.00 C ATOM 1507 OD1 ASP A 94 102.456 0.422 8.395 1.00 0.00 O ATOM 1508 OD2 ASP A 94 103.687 -0.421 6.840 1.00 0.00 O ATOM 0 H ASP A 94 102.361 -4.074 9.544 1.00 0.00 H new ATOM 0 HA ASP A 94 104.656 -2.201 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 94 102.607 -2.634 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 94 101.605 -1.949 8.727 1.00 0.00 H new ATOM 1513 N CYS A 95 104.401 -0.717 10.957 1.00 0.00 N ATOM 1514 CA CYS A 95 104.294 0.113 12.197 1.00 0.00 C ATOM 1515 C CYS A 95 104.375 1.601 11.844 1.00 0.00 C ATOM 1516 O CYS A 95 105.350 2.057 11.274 1.00 0.00 O ATOM 1517 CB CYS A 95 105.490 -0.302 13.054 1.00 0.00 C ATOM 1518 SG CYS A 95 105.302 0.378 14.721 1.00 0.00 S ATOM 0 H CYS A 95 105.246 -0.562 10.407 1.00 0.00 H new ATOM 0 HA CYS A 95 103.348 -0.039 12.717 1.00 0.00 H new ATOM 0 HB2 CYS A 95 105.559 -1.389 13.099 1.00 0.00 H new ATOM 0 HB3 CYS A 95 106.415 0.058 12.605 1.00 0.00 H new ATOM 0 HG CYS A 95 106.317 0.024 15.451 1.00 0.00 H new ATOM 1524 N ASP A 96 103.357 2.355 12.180 1.00 0.00 N ATOM 1525 CA ASP A 96 103.358 3.816 11.863 1.00 0.00 C ATOM 1526 C ASP A 96 103.836 4.621 13.075 1.00 0.00 C ATOM 1527 O ASP A 96 103.556 4.273 14.208 1.00 0.00 O ATOM 1528 CB ASP A 96 101.902 4.155 11.534 1.00 0.00 C ATOM 1529 CG ASP A 96 101.484 3.445 10.243 1.00 0.00 C ATOM 1530 OD1 ASP A 96 100.380 2.927 10.206 1.00 0.00 O ATOM 1531 OD2 ASP A 96 102.274 3.433 9.312 1.00 0.00 O ATOM 0 H ASP A 96 102.523 2.020 12.662 1.00 0.00 H new ATOM 0 HA ASP A 96 104.028 4.057 11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 96 101.253 3.849 12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 96 101.786 5.233 11.421 1.00 0.00 H new ATOM 1536 N GLU A 97 104.553 5.693 12.841 1.00 0.00 N ATOM 1537 CA GLU A 97 105.044 6.539 13.972 1.00 0.00 C ATOM 1538 C GLU A 97 104.217 7.825 14.065 1.00 0.00 C ATOM 1539 O GLU A 97 103.859 8.414 13.061 1.00 0.00 O ATOM 1540 CB GLU A 97 106.500 6.862 13.627 1.00 0.00 C ATOM 1541 CG GLU A 97 107.340 5.580 13.668 1.00 0.00 C ATOM 1542 CD GLU A 97 107.469 5.089 15.113 1.00 0.00 C ATOM 1543 OE1 GLU A 97 107.670 5.918 15.986 1.00 0.00 O ATOM 1544 OE2 GLU A 97 107.364 3.892 15.322 1.00 0.00 O ATOM 0 H GLU A 97 104.820 6.019 11.912 1.00 0.00 H new ATOM 0 HA GLU A 97 104.957 6.033 14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 97 106.557 7.314 12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 97 106.898 7.591 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 97 106.875 4.810 13.053 1.00 0.00 H new ATOM 0 HG3 GLU A 97 108.328 5.769 13.249 1.00 0.00 H new ATOM 1551 N GLU A 98 103.914 8.261 15.264 1.00 0.00 N ATOM 1552 CA GLU A 98 103.100 9.503 15.437 1.00 0.00 C ATOM 1553 C GLU A 98 103.879 10.537 16.256 1.00 0.00 C ATOM 1554 O GLU A 98 104.542 10.203 17.221 1.00 0.00 O ATOM 1555 CB GLU A 98 101.848 9.052 16.193 1.00 0.00 C ATOM 1556 CG GLU A 98 100.832 10.198 16.236 1.00 0.00 C ATOM 1557 CD GLU A 98 100.229 10.413 14.844 1.00 0.00 C ATOM 1558 OE1 GLU A 98 99.983 11.557 14.498 1.00 0.00 O ATOM 1559 OE2 GLU A 98 100.018 9.432 14.148 1.00 0.00 O ATOM 0 H GLU A 98 104.197 7.808 16.133 1.00 0.00 H new ATOM 0 HA GLU A 98 102.855 9.973 14.485 1.00 0.00 H new ATOM 0 HB2 GLU A 98 101.409 8.182 15.704 1.00 0.00 H new ATOM 0 HB3 GLU A 98 102.112 8.749 17.206 1.00 0.00 H new ATOM 0 HG2 GLU A 98 100.043 9.969 16.952 1.00 0.00 H new ATOM 0 HG3 GLU A 98 101.317 11.113 16.577 1.00 0.00 H new ATOM 1566 N PHE A 99 103.802 11.789 15.873 1.00 0.00 N ATOM 1567 CA PHE A 99 104.508 12.863 16.637 1.00 0.00 C ATOM 1568 C PHE A 99 103.496 13.880 17.173 1.00 0.00 C ATOM 1569 O PHE A 99 102.434 14.064 16.606 1.00 0.00 O ATOM 1570 CB PHE A 99 105.442 13.521 15.621 1.00 0.00 C ATOM 1571 CG PHE A 99 106.499 12.586 15.082 1.00 0.00 C ATOM 1572 CD1 PHE A 99 106.278 11.893 13.867 1.00 0.00 C ATOM 1573 CD2 PHE A 99 107.711 12.403 15.791 1.00 0.00 C ATOM 1574 CE1 PHE A 99 107.269 11.017 13.361 1.00 0.00 C ATOM 1575 CE2 PHE A 99 108.703 11.527 15.285 1.00 0.00 C ATOM 1576 CZ PHE A 99 108.481 10.834 14.070 1.00 0.00 C ATOM 0 H PHE A 99 103.278 12.113 15.060 1.00 0.00 H new ATOM 0 HA PHE A 99 105.052 12.471 17.497 1.00 0.00 H new ATOM 0 HB2 PHE A 99 104.850 13.905 14.790 1.00 0.00 H new ATOM 0 HB3 PHE A 99 105.929 14.377 16.088 1.00 0.00 H new ATOM 0 HD1 PHE A 99 105.354 12.033 13.326 1.00 0.00 H new ATOM 0 HD2 PHE A 99 107.879 12.931 16.718 1.00 0.00 H new ATOM 0 HE1 PHE A 99 107.100 10.489 12.434 1.00 0.00 H new ATOM 0 HE2 PHE A 99 109.628 11.388 15.825 1.00 0.00 H new ATOM 0 HZ PHE A 99 109.236 10.166 13.684 1.00 0.00 H new ATOM 1586 N ASP A 100 103.820 14.538 18.259 1.00 0.00 N ATOM 1587 CA ASP A 100 102.877 15.541 18.845 1.00 0.00 C ATOM 1588 C ASP A 100 103.069 16.903 18.170 1.00 0.00 C ATOM 1589 O ASP A 100 103.979 17.642 18.498 1.00 0.00 O ATOM 1590 CB ASP A 100 103.244 15.620 20.330 1.00 0.00 C ATOM 1591 CG ASP A 100 102.200 16.456 21.073 1.00 0.00 C ATOM 1592 OD1 ASP A 100 101.178 15.901 21.443 1.00 0.00 O ATOM 1593 OD2 ASP A 100 102.439 17.638 21.259 1.00 0.00 O ATOM 0 H ASP A 100 104.698 14.424 18.766 1.00 0.00 H new ATOM 0 HA ASP A 100 101.834 15.258 18.701 1.00 0.00 H new ATOM 0 HB2 ASP A 100 103.293 14.618 20.757 1.00 0.00 H new ATOM 0 HB3 ASP A 100 104.232 16.065 20.448 1.00 0.00 H new ATOM 1598 N PHE A 101 102.216 17.234 17.230 1.00 0.00 N ATOM 1599 CA PHE A 101 102.322 18.554 16.537 1.00 0.00 C ATOM 1600 C PHE A 101 101.012 18.877 15.814 1.00 0.00 C ATOM 1601 O PHE A 101 100.580 18.144 14.943 1.00 0.00 O ATOM 1602 CB PHE A 101 103.461 18.387 15.529 1.00 0.00 C ATOM 1603 CG PHE A 101 103.831 19.669 14.820 1.00 0.00 C ATOM 1604 CD1 PHE A 101 103.269 19.965 13.554 1.00 0.00 C ATOM 1605 CD2 PHE A 101 104.739 20.573 15.421 1.00 0.00 C ATOM 1606 CE1 PHE A 101 103.615 21.167 12.890 1.00 0.00 C ATOM 1607 CE2 PHE A 101 105.086 21.775 14.757 1.00 0.00 C ATOM 1608 CZ PHE A 101 104.524 22.072 13.491 1.00 0.00 C ATOM 0 H PHE A 101 101.448 16.643 16.913 1.00 0.00 H new ATOM 0 HA PHE A 101 102.512 19.370 17.234 1.00 0.00 H new ATOM 0 HB2 PHE A 101 104.339 18.000 16.046 1.00 0.00 H new ATOM 0 HB3 PHE A 101 103.173 17.641 14.788 1.00 0.00 H new ATOM 0 HD1 PHE A 101 102.577 19.274 13.095 1.00 0.00 H new ATOM 0 HD2 PHE A 101 105.167 20.346 16.386 1.00 0.00 H new ATOM 0 HE1 PHE A 101 103.186 21.394 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 101 105.779 22.465 15.216 1.00 0.00 H new ATOM 0 HZ PHE A 101 104.789 22.988 12.984 1.00 0.00 H new ATOM 1618 N ALA A 102 100.378 19.968 16.172 1.00 0.00 N ATOM 1619 CA ALA A 102 99.095 20.350 15.509 1.00 0.00 C ATOM 1620 C ALA A 102 98.903 21.868 15.561 1.00 0.00 C ATOM 1621 O ALA A 102 99.344 22.525 16.486 1.00 0.00 O ATOM 1622 CB ALA A 102 98.006 19.644 16.317 1.00 0.00 C ATOM 0 H ALA A 102 100.696 20.611 16.897 1.00 0.00 H new ATOM 0 HA ALA A 102 99.073 20.064 14.458 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.030 19.875 15.891 1.00 0.00 H new ATOM 0 HB2 ALA A 102 98.170 18.567 16.285 1.00 0.00 H new ATOM 0 HB3 ALA A 102 98.041 19.986 17.351 1.00 0.00 H new ATOM 1628 N ALA A 103 98.247 22.425 14.572 1.00 0.00 N ATOM 1629 CA ALA A 103 97.997 23.899 14.561 1.00 0.00 C ATOM 1630 C ALA A 103 96.565 24.194 15.015 1.00 0.00 C ATOM 1631 O ALA A 103 96.347 24.895 15.986 1.00 0.00 O ATOM 1632 CB ALA A 103 98.197 24.324 13.106 1.00 0.00 C ATOM 0 H ALA A 103 97.873 21.919 13.769 1.00 0.00 H new ATOM 0 HA ALA A 103 98.662 24.437 15.237 1.00 0.00 H new ATOM 0 HB1 ALA A 103 98.031 25.397 13.014 1.00 0.00 H new ATOM 0 HB2 ALA A 103 99.214 24.086 12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 103 97.489 23.792 12.471 1.00 0.00 H new ATOM 1638 N ASN A 104 95.591 23.661 14.317 1.00 0.00 N ATOM 1639 CA ASN A 104 94.165 23.887 14.707 1.00 0.00 C ATOM 1640 C ASN A 104 93.578 22.613 15.319 1.00 0.00 C ATOM 1641 O ASN A 104 93.685 21.539 14.755 1.00 0.00 O ATOM 1642 CB ASN A 104 93.447 24.236 13.402 1.00 0.00 C ATOM 1643 CG ASN A 104 93.947 25.586 12.884 1.00 0.00 C ATOM 1644 OD1 ASN A 104 94.351 25.701 11.744 1.00 0.00 O ATOM 1645 ND2 ASN A 104 93.936 26.621 13.679 1.00 0.00 N ATOM 0 H ASN A 104 95.724 23.077 13.491 1.00 0.00 H new ATOM 0 HA ASN A 104 94.060 24.676 15.452 1.00 0.00 H new ATOM 0 HB2 ASN A 104 93.627 23.460 12.658 1.00 0.00 H new ATOM 0 HB3 ASN A 104 92.370 24.275 13.567 1.00 0.00 H new ATOM 0 HD21 ASN A 104 94.266 27.526 13.343 1.00 0.00 H new ATOM 0 HD22 ASN A 104 93.597 26.525 14.636 1.00 0.00 H new ATOM 1652 N LEU A 105 92.958 22.727 16.469 1.00 0.00 N ATOM 1653 CA LEU A 105 92.368 21.526 17.135 1.00 0.00 C ATOM 1654 C LEU A 105 90.843 21.540 16.996 1.00 0.00 C ATOM 1655 O LEU A 105 90.192 22.517 17.320 1.00 0.00 O ATOM 1656 CB LEU A 105 92.775 21.649 18.604 1.00 0.00 C ATOM 1657 CG LEU A 105 92.512 20.322 19.324 1.00 0.00 C ATOM 1658 CD1 LEU A 105 93.427 20.212 20.545 1.00 0.00 C ATOM 1659 CD2 LEU A 105 91.051 20.268 19.779 1.00 0.00 C ATOM 0 H LEU A 105 92.836 23.604 16.976 1.00 0.00 H new ATOM 0 HA LEU A 105 92.718 20.593 16.692 1.00 0.00 H new ATOM 0 HB2 LEU A 105 93.830 21.912 18.679 1.00 0.00 H new ATOM 0 HB3 LEU A 105 92.212 22.451 19.082 1.00 0.00 H new ATOM 0 HG LEU A 105 92.713 19.495 18.643 1.00 0.00 H new ATOM 0 HD11 LEU A 105 93.239 19.268 21.056 1.00 0.00 H new ATOM 0 HD12 LEU A 105 94.468 20.250 20.224 1.00 0.00 H new ATOM 0 HD13 LEU A 105 93.227 21.039 21.226 1.00 0.00 H new ATOM 0 HD21 LEU A 105 90.864 19.324 20.291 1.00 0.00 H new ATOM 0 HD22 LEU A 105 90.851 21.096 20.459 1.00 0.00 H new ATOM 0 HD23 LEU A 105 90.396 20.346 18.911 1.00 0.00 H new ATOM 1671 N GLU A 106 90.273 20.461 16.515 1.00 0.00 N ATOM 1672 CA GLU A 106 88.786 20.386 16.375 1.00 0.00 C ATOM 1673 C GLU A 106 88.290 18.991 16.771 1.00 0.00 C ATOM 1674 O GLU A 106 87.610 18.828 17.767 1.00 0.00 O ATOM 1675 CB GLU A 106 88.510 20.661 14.895 1.00 0.00 C ATOM 1676 CG GLU A 106 88.877 22.110 14.565 1.00 0.00 C ATOM 1677 CD GLU A 106 88.518 22.409 13.108 1.00 0.00 C ATOM 1678 OE1 GLU A 106 89.239 21.955 12.235 1.00 0.00 O ATOM 1679 OE2 GLU A 106 87.527 23.087 12.890 1.00 0.00 O ATOM 0 H GLU A 106 90.776 19.627 16.213 1.00 0.00 H new ATOM 0 HA GLU A 106 88.272 21.099 17.020 1.00 0.00 H new ATOM 0 HB2 GLU A 106 89.089 19.978 14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 106 87.458 20.482 14.671 1.00 0.00 H new ATOM 0 HG2 GLU A 106 88.345 22.791 15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 106 89.942 22.273 14.729 1.00 0.00 H new ATOM 1686 N LYS A 107 88.625 17.987 15.995 1.00 0.00 N ATOM 1687 CA LYS A 107 88.209 16.590 16.336 1.00 0.00 C ATOM 1688 C LYS A 107 89.406 15.635 16.247 1.00 0.00 C ATOM 1689 O LYS A 107 89.246 14.456 15.989 1.00 0.00 O ATOM 1690 CB LYS A 107 87.152 16.219 15.290 1.00 0.00 C ATOM 1691 CG LYS A 107 85.928 17.129 15.438 1.00 0.00 C ATOM 1692 CD LYS A 107 85.186 16.788 16.733 1.00 0.00 C ATOM 1693 CE LYS A 107 83.879 17.581 16.797 1.00 0.00 C ATOM 1694 NZ LYS A 107 82.982 16.774 17.670 1.00 0.00 N ATOM 0 H LYS A 107 89.170 18.076 15.138 1.00 0.00 H new ATOM 0 HA LYS A 107 87.822 16.518 17.352 1.00 0.00 H new ATOM 0 HB2 LYS A 107 87.570 16.317 14.288 1.00 0.00 H new ATOM 0 HB3 LYS A 107 86.858 15.177 15.412 1.00 0.00 H new ATOM 0 HG2 LYS A 107 86.239 18.174 15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 107 85.264 17.003 14.583 1.00 0.00 H new ATOM 0 HD2 LYS A 107 84.977 15.719 16.774 1.00 0.00 H new ATOM 0 HD3 LYS A 107 85.810 17.025 17.595 1.00 0.00 H new ATOM 0 HE2 LYS A 107 84.041 18.577 17.210 1.00 0.00 H new ATOM 0 HE3 LYS A 107 83.449 17.714 15.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 82.064 17.254 17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 82.841 15.834 17.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 83.414 16.670 18.610 1.00 0.00 H new ATOM 1708 N PHE A 108 90.601 16.135 16.459 1.00 0.00 N ATOM 1709 CA PHE A 108 91.813 15.264 16.376 1.00 0.00 C ATOM 1710 C PHE A 108 92.225 14.786 17.772 1.00 0.00 C ATOM 1711 O PHE A 108 92.732 13.691 17.935 1.00 0.00 O ATOM 1712 CB PHE A 108 92.900 16.153 15.772 1.00 0.00 C ATOM 1713 CG PHE A 108 92.616 16.569 14.347 1.00 0.00 C ATOM 1714 CD1 PHE A 108 92.936 15.697 13.278 1.00 0.00 C ATOM 1715 CD2 PHE A 108 92.030 17.830 14.081 1.00 0.00 C ATOM 1716 CE1 PHE A 108 92.670 16.086 11.943 1.00 0.00 C ATOM 1717 CE2 PHE A 108 91.763 18.219 12.746 1.00 0.00 C ATOM 1718 CZ PHE A 108 92.083 17.348 11.677 1.00 0.00 C ATOM 0 H PHE A 108 90.787 17.112 16.686 1.00 0.00 H new ATOM 0 HA PHE A 108 91.636 14.371 15.777 1.00 0.00 H new ATOM 0 HB2 PHE A 108 93.012 17.046 16.387 1.00 0.00 H new ATOM 0 HB3 PHE A 108 93.852 15.623 15.804 1.00 0.00 H new ATOM 0 HD1 PHE A 108 93.383 14.735 13.481 1.00 0.00 H new ATOM 0 HD2 PHE A 108 91.787 18.495 14.896 1.00 0.00 H new ATOM 0 HE1 PHE A 108 92.914 15.421 11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 108 91.315 19.181 12.543 1.00 0.00 H new ATOM 0 HZ PHE A 108 91.880 17.645 10.659 1.00 0.00 H new ATOM 1728 N ASP A 109 92.009 15.601 18.777 1.00 0.00 N ATOM 1729 CA ASP A 109 92.408 15.212 20.166 1.00 0.00 C ATOM 1730 C ASP A 109 91.292 14.399 20.829 1.00 0.00 C ATOM 1731 O ASP A 109 90.202 14.894 21.050 1.00 0.00 O ATOM 1732 CB ASP A 109 92.623 16.534 20.908 1.00 0.00 C ATOM 1733 CG ASP A 109 93.303 16.266 22.253 1.00 0.00 C ATOM 1734 OD1 ASP A 109 92.887 15.341 22.932 1.00 0.00 O ATOM 1735 OD2 ASP A 109 94.229 16.990 22.580 1.00 0.00 O ATOM 0 H ASP A 109 91.573 16.520 18.695 1.00 0.00 H new ATOM 0 HA ASP A 109 93.304 14.591 20.177 1.00 0.00 H new ATOM 0 HB2 ASP A 109 93.237 17.204 20.306 1.00 0.00 H new ATOM 0 HB3 ASP A 109 91.667 17.033 21.066 1.00 0.00 H new ATOM 1740 N LYS A 110 91.561 13.155 21.145 1.00 0.00 N ATOM 1741 CA LYS A 110 90.533 12.301 21.816 1.00 0.00 C ATOM 1742 C LYS A 110 91.088 11.744 23.130 1.00 0.00 C ATOM 1743 O LYS A 110 92.270 11.476 23.248 1.00 0.00 O ATOM 1744 CB LYS A 110 90.252 11.166 20.829 1.00 0.00 C ATOM 1745 CG LYS A 110 89.573 11.730 19.578 1.00 0.00 C ATOM 1746 CD LYS A 110 89.187 10.581 18.644 1.00 0.00 C ATOM 1747 CE LYS A 110 88.614 11.149 17.344 1.00 0.00 C ATOM 1748 NZ LYS A 110 89.805 11.505 16.522 1.00 0.00 N ATOM 0 H LYS A 110 92.453 12.693 20.966 1.00 0.00 H new ATOM 0 HA LYS A 110 89.629 12.859 22.062 1.00 0.00 H new ATOM 0 HB2 LYS A 110 91.183 10.668 20.557 1.00 0.00 H new ATOM 0 HB3 LYS A 110 89.613 10.415 21.295 1.00 0.00 H new ATOM 0 HG2 LYS A 110 88.686 12.299 19.858 1.00 0.00 H new ATOM 0 HG3 LYS A 110 90.245 12.419 19.066 1.00 0.00 H new ATOM 0 HD2 LYS A 110 90.060 9.964 18.430 1.00 0.00 H new ATOM 0 HD3 LYS A 110 88.452 9.937 19.127 1.00 0.00 H new ATOM 0 HE2 LYS A 110 87.988 10.416 16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 110 87.991 12.023 17.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 89.729 12.495 16.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 90.668 11.385 17.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 89.850 10.884 15.689 1.00 0.00 H new ATOM 1762 N LYS A 111 90.241 11.568 24.115 1.00 0.00 N ATOM 1763 CA LYS A 111 90.710 11.036 25.432 1.00 0.00 C ATOM 1764 C LYS A 111 90.527 9.517 25.484 1.00 0.00 C ATOM 1765 O LYS A 111 89.452 9.005 25.229 1.00 0.00 O ATOM 1766 CB LYS A 111 89.827 11.719 26.478 1.00 0.00 C ATOM 1767 CG LYS A 111 90.135 13.218 26.510 1.00 0.00 C ATOM 1768 CD LYS A 111 89.334 13.881 27.632 1.00 0.00 C ATOM 1769 CE LYS A 111 89.553 15.395 27.591 1.00 0.00 C ATOM 1770 NZ LYS A 111 88.603 15.893 26.558 1.00 0.00 N ATOM 0 H LYS A 111 89.243 11.771 24.063 1.00 0.00 H new ATOM 0 HA LYS A 111 91.768 11.235 25.602 1.00 0.00 H new ATOM 0 HB2 LYS A 111 88.775 11.559 26.241 1.00 0.00 H new ATOM 0 HB3 LYS A 111 90.003 11.280 27.460 1.00 0.00 H new ATOM 0 HG2 LYS A 111 91.202 13.377 26.667 1.00 0.00 H new ATOM 0 HG3 LYS A 111 89.883 13.672 25.552 1.00 0.00 H new ATOM 0 HD2 LYS A 111 88.274 13.653 27.520 1.00 0.00 H new ATOM 0 HD3 LYS A 111 89.645 13.484 28.598 1.00 0.00 H new ATOM 0 HE2 LYS A 111 89.354 15.849 28.562 1.00 0.00 H new ATOM 0 HE3 LYS A 111 90.583 15.638 27.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 89.068 16.623 25.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 88.310 15.104 25.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 87.767 16.300 27.023 1.00 0.00 H new ATOM 1784 N GLN A 112 91.572 8.796 25.813 1.00 0.00 N ATOM 1785 CA GLN A 112 91.474 7.306 25.890 1.00 0.00 C ATOM 1786 C GLN A 112 92.205 6.792 27.134 1.00 0.00 C ATOM 1787 O GLN A 112 93.041 7.476 27.697 1.00 0.00 O ATOM 1788 CB GLN A 112 92.154 6.796 24.618 1.00 0.00 C ATOM 1789 CG GLN A 112 91.328 7.200 23.396 1.00 0.00 C ATOM 1790 CD GLN A 112 91.958 6.609 22.134 1.00 0.00 C ATOM 1791 OE1 GLN A 112 91.796 5.439 21.851 1.00 0.00 O ATOM 1792 NE2 GLN A 112 92.677 7.374 21.358 1.00 0.00 N ATOM 0 H GLN A 112 92.492 9.178 26.032 1.00 0.00 H new ATOM 0 HA GLN A 112 90.442 6.964 25.964 1.00 0.00 H new ATOM 0 HB2 GLN A 112 93.160 7.208 24.541 1.00 0.00 H new ATOM 0 HB3 GLN A 112 92.256 5.712 24.658 1.00 0.00 H new ATOM 0 HG2 GLN A 112 90.303 6.845 23.504 1.00 0.00 H new ATOM 0 HG3 GLN A 112 91.283 8.286 23.318 1.00 0.00 H new ATOM 0 HE21 GLN A 112 92.813 8.357 21.595 1.00 0.00 H new ATOM 0 HE22 GLN A 112 93.102 6.989 20.515 1.00 0.00 H new ATOM 1801 N VAL A 113 91.895 5.592 27.562 1.00 0.00 N ATOM 1802 CA VAL A 113 92.571 5.016 28.767 1.00 0.00 C ATOM 1803 C VAL A 113 93.438 3.821 28.351 1.00 0.00 C ATOM 1804 O VAL A 113 93.002 2.958 27.611 1.00 0.00 O ATOM 1805 CB VAL A 113 91.433 4.569 29.700 1.00 0.00 C ATOM 1806 CG1 VAL A 113 92.016 3.988 30.992 1.00 0.00 C ATOM 1807 CG2 VAL A 113 90.547 5.771 30.051 1.00 0.00 C ATOM 0 H VAL A 113 91.200 4.985 27.127 1.00 0.00 H new ATOM 0 HA VAL A 113 93.227 5.734 29.259 1.00 0.00 H new ATOM 0 HB VAL A 113 90.840 3.809 29.191 1.00 0.00 H new ATOM 0 HG11 VAL A 113 91.204 3.673 31.648 1.00 0.00 H new ATOM 0 HG12 VAL A 113 92.644 3.129 30.754 1.00 0.00 H new ATOM 0 HG13 VAL A 113 92.615 4.747 31.494 1.00 0.00 H new ATOM 0 HG21 VAL A 113 89.742 5.449 30.712 1.00 0.00 H new ATOM 0 HG22 VAL A 113 91.147 6.531 30.552 1.00 0.00 H new ATOM 0 HG23 VAL A 113 90.122 6.188 29.138 1.00 0.00 H new ATOM 1817 N PHE A 114 94.660 3.770 28.824 1.00 0.00 N ATOM 1818 CA PHE A 114 95.569 2.640 28.460 1.00 0.00 C ATOM 1819 C PHE A 114 95.828 1.754 29.682 1.00 0.00 C ATOM 1820 O PHE A 114 95.839 2.223 30.806 1.00 0.00 O ATOM 1821 CB PHE A 114 96.864 3.308 27.998 1.00 0.00 C ATOM 1822 CG PHE A 114 97.879 2.334 27.447 1.00 0.00 C ATOM 1823 CD1 PHE A 114 98.901 1.825 28.286 1.00 0.00 C ATOM 1824 CD2 PHE A 114 97.809 1.930 26.091 1.00 0.00 C ATOM 1825 CE1 PHE A 114 99.852 0.912 27.769 1.00 0.00 C ATOM 1826 CE2 PHE A 114 98.761 1.017 25.575 1.00 0.00 C ATOM 1827 CZ PHE A 114 99.782 0.508 26.413 1.00 0.00 C ATOM 0 H PHE A 114 95.067 4.466 29.449 1.00 0.00 H new ATOM 0 HA PHE A 114 95.143 1.999 27.688 1.00 0.00 H new ATOM 0 HB2 PHE A 114 96.629 4.048 27.233 1.00 0.00 H new ATOM 0 HB3 PHE A 114 97.306 3.846 28.837 1.00 0.00 H new ATOM 0 HD1 PHE A 114 98.955 2.133 29.320 1.00 0.00 H new ATOM 0 HD2 PHE A 114 97.030 2.318 25.451 1.00 0.00 H new ATOM 0 HE1 PHE A 114 100.631 0.524 28.409 1.00 0.00 H new ATOM 0 HE2 PHE A 114 98.708 0.709 24.541 1.00 0.00 H new ATOM 0 HZ PHE A 114 100.507 -0.188 26.019 1.00 0.00 H new ATOM 1837 N ALA A 115 96.036 0.478 29.466 1.00 0.00 N ATOM 1838 CA ALA A 115 96.293 -0.453 30.608 1.00 0.00 C ATOM 1839 C ALA A 115 97.800 -0.628 30.818 1.00 0.00 C ATOM 1840 O ALA A 115 98.573 -0.591 29.879 1.00 0.00 O ATOM 1841 CB ALA A 115 95.652 -1.778 30.193 1.00 0.00 C ATOM 0 H ALA A 115 96.039 0.040 28.545 1.00 0.00 H new ATOM 0 HA ALA A 115 95.883 -0.079 31.546 1.00 0.00 H new ATOM 0 HB1 ALA A 115 95.798 -2.516 30.982 1.00 0.00 H new ATOM 0 HB2 ALA A 115 94.585 -1.630 30.028 1.00 0.00 H new ATOM 0 HB3 ALA A 115 96.115 -2.134 29.273 1.00 0.00 H new ATOM 1847 N GLU A 116 98.217 -0.818 32.047 1.00 0.00 N ATOM 1848 CA GLU A 116 99.675 -0.984 32.337 1.00 0.00 C ATOM 1849 C GLU A 116 99.999 -2.458 32.593 1.00 0.00 C ATOM 1850 O GLU A 116 99.113 -3.277 32.749 1.00 0.00 O ATOM 1851 CB GLU A 116 99.929 -0.152 33.596 1.00 0.00 C ATOM 1852 CG GLU A 116 99.728 1.332 33.281 1.00 0.00 C ATOM 1853 CD GLU A 116 100.073 2.167 34.516 1.00 0.00 C ATOM 1854 OE1 GLU A 116 101.133 2.771 34.521 1.00 0.00 O ATOM 1855 OE2 GLU A 116 99.271 2.189 35.435 1.00 0.00 O ATOM 0 H GLU A 116 97.608 -0.865 32.864 1.00 0.00 H new ATOM 0 HA GLU A 116 100.300 -0.661 31.504 1.00 0.00 H new ATOM 0 HB2 GLU A 116 99.250 -0.460 34.391 1.00 0.00 H new ATOM 0 HB3 GLU A 116 100.943 -0.323 33.959 1.00 0.00 H new ATOM 0 HG2 GLU A 116 100.359 1.625 32.442 1.00 0.00 H new ATOM 0 HG3 GLU A 116 98.696 1.515 32.982 1.00 0.00 H new ATOM 1862 N PHE A 117 101.271 -2.800 32.635 1.00 0.00 N ATOM 1863 CA PHE A 117 101.693 -4.225 32.874 1.00 0.00 C ATOM 1864 C PHE A 117 100.997 -5.177 31.891 1.00 0.00 C ATOM 1865 O PHE A 117 99.892 -5.629 32.129 1.00 0.00 O ATOM 1866 CB PHE A 117 101.279 -4.543 34.316 1.00 0.00 C ATOM 1867 CG PHE A 117 101.963 -3.674 35.345 1.00 0.00 C ATOM 1868 CD1 PHE A 117 101.322 -2.505 35.823 1.00 0.00 C ATOM 1869 CD2 PHE A 117 103.245 -4.028 35.832 1.00 0.00 C ATOM 1870 CE1 PHE A 117 101.963 -1.690 36.788 1.00 0.00 C ATOM 1871 CE2 PHE A 117 103.886 -3.213 36.797 1.00 0.00 C ATOM 1872 CZ PHE A 117 103.245 -2.045 37.275 1.00 0.00 C ATOM 0 H PHE A 117 102.043 -2.145 32.512 1.00 0.00 H new ATOM 0 HA PHE A 117 102.765 -4.352 32.723 1.00 0.00 H new ATOM 0 HB2 PHE A 117 100.200 -4.423 34.411 1.00 0.00 H new ATOM 0 HB3 PHE A 117 101.503 -5.588 34.528 1.00 0.00 H new ATOM 0 HD1 PHE A 117 100.344 -2.235 35.452 1.00 0.00 H new ATOM 0 HD2 PHE A 117 103.734 -4.919 35.468 1.00 0.00 H new ATOM 0 HE1 PHE A 117 101.475 -0.798 37.152 1.00 0.00 H new ATOM 0 HE2 PHE A 117 104.864 -3.483 37.168 1.00 0.00 H new ATOM 0 HZ PHE A 117 103.734 -1.424 38.011 1.00 0.00 H new ATOM 1882 N ARG A 118 101.642 -5.480 30.790 1.00 0.00 N ATOM 1883 CA ARG A 118 101.030 -6.400 29.780 1.00 0.00 C ATOM 1884 C ARG A 118 101.568 -7.830 29.939 1.00 0.00 C ATOM 1885 O ARG A 118 101.462 -8.637 29.033 1.00 0.00 O ATOM 1886 CB ARG A 118 101.440 -5.825 28.423 1.00 0.00 C ATOM 1887 CG ARG A 118 100.764 -4.467 28.213 1.00 0.00 C ATOM 1888 CD ARG A 118 99.298 -4.681 27.824 1.00 0.00 C ATOM 1889 NE ARG A 118 99.334 -5.312 26.465 1.00 0.00 N ATOM 1890 CZ ARG A 118 98.281 -5.931 25.965 1.00 0.00 C ATOM 1891 NH1 ARG A 118 97.152 -6.017 26.630 1.00 0.00 N ATOM 1892 NH2 ARG A 118 98.363 -6.467 24.778 1.00 0.00 N ATOM 0 H ARG A 118 102.568 -5.129 30.547 1.00 0.00 H new ATOM 0 HA ARG A 118 99.948 -6.463 29.895 1.00 0.00 H new ATOM 0 HB2 ARG A 118 102.523 -5.714 28.376 1.00 0.00 H new ATOM 0 HB3 ARG A 118 101.155 -6.511 27.625 1.00 0.00 H new ATOM 0 HG2 ARG A 118 100.826 -3.873 29.125 1.00 0.00 H new ATOM 0 HG3 ARG A 118 101.281 -3.908 27.433 1.00 0.00 H new ATOM 0 HD2 ARG A 118 98.791 -5.325 28.543 1.00 0.00 H new ATOM 0 HD3 ARG A 118 98.755 -3.736 27.804 1.00 0.00 H new ATOM 0 HE ARG A 118 100.191 -5.262 25.914 1.00 0.00 H new ATOM 0 HH11 ARG A 118 97.073 -5.599 27.557 1.00 0.00 H new ATOM 0 HH12 ARG A 118 96.354 -6.501 26.219 1.00 0.00 H new ATOM 0 HH21 ARG A 118 99.233 -6.404 24.249 1.00 0.00 H new ATOM 0 HH22 ARG A 118 97.557 -6.949 24.379 1.00 0.00 H new ATOM 1906 N GLU A 119 102.143 -8.151 31.077 1.00 0.00 N ATOM 1907 CA GLU A 119 102.688 -9.529 31.287 1.00 0.00 C ATOM 1908 C GLU A 119 101.720 -10.371 32.131 1.00 0.00 C ATOM 1909 O GLU A 119 102.124 -11.312 32.789 1.00 0.00 O ATOM 1910 CB GLU A 119 104.007 -9.320 32.033 1.00 0.00 C ATOM 1911 CG GLU A 119 104.886 -10.565 31.882 1.00 0.00 C ATOM 1912 CD GLU A 119 105.418 -10.656 30.448 1.00 0.00 C ATOM 1913 OE1 GLU A 119 105.511 -11.762 29.943 1.00 0.00 O ATOM 1914 OE2 GLU A 119 105.728 -9.620 29.881 1.00 0.00 O ATOM 0 H GLU A 119 102.257 -7.517 31.868 1.00 0.00 H new ATOM 0 HA GLU A 119 102.827 -10.063 30.347 1.00 0.00 H new ATOM 0 HB2 GLU A 119 104.525 -8.446 31.638 1.00 0.00 H new ATOM 0 HB3 GLU A 119 103.813 -9.125 33.088 1.00 0.00 H new ATOM 0 HG2 GLU A 119 105.717 -10.522 32.586 1.00 0.00 H new ATOM 0 HG3 GLU A 119 104.311 -11.459 32.123 1.00 0.00 H new ATOM 1921 N LYS A 120 100.448 -10.040 32.117 1.00 0.00 N ATOM 1922 CA LYS A 120 99.454 -10.814 32.930 1.00 0.00 C ATOM 1923 C LYS A 120 99.312 -12.237 32.380 1.00 0.00 C ATOM 1924 O LYS A 120 99.185 -13.189 33.129 1.00 0.00 O ATOM 1925 CB LYS A 120 98.132 -10.052 32.794 1.00 0.00 C ATOM 1926 CG LYS A 120 97.107 -10.627 33.774 1.00 0.00 C ATOM 1927 CD LYS A 120 95.777 -9.886 33.615 1.00 0.00 C ATOM 1928 CE LYS A 120 94.807 -10.336 34.710 1.00 0.00 C ATOM 1929 NZ LYS A 120 93.894 -9.178 34.913 1.00 0.00 N ATOM 0 H LYS A 120 100.056 -9.268 31.578 1.00 0.00 H new ATOM 0 HA LYS A 120 99.762 -10.903 33.972 1.00 0.00 H new ATOM 0 HB2 LYS A 120 98.289 -8.992 32.996 1.00 0.00 H new ATOM 0 HB3 LYS A 120 97.758 -10.130 31.773 1.00 0.00 H new ATOM 0 HG2 LYS A 120 96.967 -11.692 33.587 1.00 0.00 H new ATOM 0 HG3 LYS A 120 97.471 -10.528 34.797 1.00 0.00 H new ATOM 0 HD2 LYS A 120 95.939 -8.810 33.677 1.00 0.00 H new ATOM 0 HD3 LYS A 120 95.351 -10.088 32.632 1.00 0.00 H new ATOM 0 HE2 LYS A 120 94.255 -11.226 34.407 1.00 0.00 H new ATOM 0 HE3 LYS A 120 95.337 -10.587 35.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 93.198 -9.410 35.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 94.447 -8.347 35.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 93.398 -8.967 34.024 1.00 0.00 H new ATOM 1943 N ASP A 121 99.335 -12.384 31.077 1.00 0.00 N ATOM 1944 CA ASP A 121 99.197 -13.740 30.461 1.00 0.00 C ATOM 1945 C ASP A 121 100.408 -14.044 29.576 1.00 0.00 C ATOM 1946 O ASP A 121 100.964 -13.108 29.025 1.00 0.00 O ATOM 1947 CB ASP A 121 97.922 -13.667 29.618 1.00 0.00 C ATOM 1948 CG ASP A 121 96.705 -13.503 30.534 1.00 0.00 C ATOM 1949 OD1 ASP A 121 95.838 -12.714 30.198 1.00 0.00 O ATOM 1950 OD2 ASP A 121 96.660 -14.172 31.554 1.00 0.00 O ATOM 1951 OXT ASP A 121 100.758 -15.207 29.463 1.00 0.00 O ATOM 0 H ASP A 121 99.444 -11.619 30.411 1.00 0.00 H new ATOM 0 HA ASP A 121 99.144 -14.530 31.211 1.00 0.00 H new ATOM 0 HB2 ASP A 121 97.982 -12.829 28.923 1.00 0.00 H new ATOM 0 HB3 ASP A 121 97.819 -14.572 29.019 1.00 0.00 H new TER 1956 ASP A 121