USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=33 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 27 ASN : amide:sc= 0 X(o=-0.14,f=-0.14) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.143 K(o=-0.14,f=-4.5!) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.254 K(o=1.3,f=-7.7!) USER MOD Set 2.2: A 19 SER OG : rot -65:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.985 (180deg=-1.37!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.473 USER MOD Single : A 9 SER OG : rot -70:sc= -0.75! USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -4.47! C(o=-4.5!,f=-5.5!) USER MOD Single : A 16 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.3!) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0922) USER MOD Single : A 26 THR OG1 : rot -63:sc= 0.713 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.2) USER MOD Single : A 43 SER OG : rot 180:sc= 0 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 12:sc= 0.974 USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.184 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 130:sc= 1.21 (180deg=0.711) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.1!) USER MOD Single : A 64 MET CE :methyl -122:sc=-0.00962 (180deg=-0.263) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.077 K(o=-0.077,f=-6.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.146) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 30:sc= 0.781 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+ -115:sc= 0 (180deg=-0.0727) USER MOD Single : A 89 ASN : amide:sc= -0.256 K(o=-0.26,f=-0.79) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -16:sc= 0.449 USER MOD Single : A 93 MET CE :methyl -137:sc= -0.741 (180deg=-4.02!) USER MOD Single : A 95 CYS SG : rot 18:sc= 0.0751 USER MOD Single : A 104 ASN : amide:sc= -0.0908 X(o=-0.091,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.00999) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0306 K(o=-0.031,f=-1.3!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 118.357 -1.132 -4.457 1.00 0.00 N ATOM 2 CA GLY A -3 117.905 -1.475 -3.079 1.00 0.00 C ATOM 3 C GLY A -3 118.569 -0.533 -2.073 1.00 0.00 C ATOM 4 O GLY A -3 119.754 -0.628 -1.813 1.00 0.00 O ATOM 0 H1 GLY A -3 117.905 -1.773 -5.140 1.00 0.00 H new ATOM 0 H2 GLY A -3 118.092 -0.150 -4.675 1.00 0.00 H new ATOM 0 H3 GLY A -3 119.390 -1.233 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A -3 116.820 -1.392 -3.010 1.00 0.00 H new ATOM 0 HA3 GLY A -3 118.161 -2.509 -2.848 1.00 0.00 H new ATOM 10 N ALA A -2 117.807 0.380 -1.505 1.00 0.00 N ATOM 11 CA ALA A -2 118.370 1.353 -0.502 1.00 0.00 C ATOM 12 C ALA A -2 119.597 2.080 -1.068 1.00 0.00 C ATOM 13 O ALA A -2 120.506 2.437 -0.341 1.00 0.00 O ATOM 14 CB ALA A -2 118.759 0.508 0.717 1.00 0.00 C ATOM 0 H ALA A -2 116.811 0.494 -1.695 1.00 0.00 H new ATOM 0 HA ALA A -2 117.644 2.125 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A -2 119.177 1.154 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A -2 117.875 0.003 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A -2 119.501 -0.234 0.423 1.00 0.00 H new ATOM 20 N MET A -1 119.625 2.300 -2.363 1.00 0.00 N ATOM 21 CA MET A -1 120.794 3.004 -2.991 1.00 0.00 C ATOM 22 C MET A -1 120.913 4.438 -2.456 1.00 0.00 C ATOM 23 O MET A -1 122.002 4.956 -2.288 1.00 0.00 O ATOM 24 CB MET A -1 120.518 3.001 -4.507 1.00 0.00 C ATOM 25 CG MET A -1 119.231 3.777 -4.827 1.00 0.00 C ATOM 26 SD MET A -1 118.899 3.682 -6.603 1.00 0.00 S ATOM 27 CE MET A -1 117.389 4.680 -6.605 1.00 0.00 C ATOM 0 H MET A -1 118.889 2.023 -3.013 1.00 0.00 H new ATOM 0 HA MET A -1 121.736 2.508 -2.758 1.00 0.00 H new ATOM 0 HB2 MET A -1 121.359 3.449 -5.036 1.00 0.00 H new ATOM 0 HB3 MET A -1 120.428 1.975 -4.863 1.00 0.00 H new ATOM 0 HG2 MET A -1 118.394 3.361 -4.266 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.335 4.818 -4.520 1.00 0.00 H new ATOM 0 HE1 MET A -1 117.004 4.755 -7.622 1.00 0.00 H new ATOM 0 HE2 MET A -1 116.641 4.209 -5.967 1.00 0.00 H new ATOM 0 HE3 MET A -1 117.612 5.678 -6.227 1.00 0.00 H new ATOM 37 N GLY A 0 119.800 5.076 -2.190 1.00 0.00 N ATOM 38 CA GLY A 0 119.833 6.474 -1.666 1.00 0.00 C ATOM 39 C GLY A 0 118.533 6.772 -0.917 1.00 0.00 C ATOM 40 O GLY A 0 118.548 7.300 0.180 1.00 0.00 O ATOM 0 H GLY A 0 118.866 4.685 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 0 120.686 6.603 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 0 119.961 7.178 -2.488 1.00 0.00 H new ATOM 44 N MET A 1 117.410 6.435 -1.504 1.00 0.00 N ATOM 45 CA MET A 1 116.098 6.691 -0.836 1.00 0.00 C ATOM 46 C MET A 1 115.604 5.421 -0.136 1.00 0.00 C ATOM 47 O MET A 1 116.279 4.409 -0.123 1.00 0.00 O ATOM 48 CB MET A 1 115.145 7.085 -1.967 1.00 0.00 C ATOM 49 CG MET A 1 115.571 8.437 -2.545 1.00 0.00 C ATOM 50 SD MET A 1 114.334 8.999 -3.741 1.00 0.00 S ATOM 51 CE MET A 1 114.527 7.643 -4.925 1.00 0.00 C ATOM 0 H MET A 1 117.347 5.992 -2.421 1.00 0.00 H new ATOM 0 HA MET A 1 116.168 7.467 -0.074 1.00 0.00 H new ATOM 0 HB2 MET A 1 115.155 6.324 -2.747 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.123 7.143 -1.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.678 9.169 -1.745 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.544 8.348 -3.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 113.966 7.869 -5.832 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.582 7.523 -5.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 114.149 6.720 -4.486 1.00 0.00 H new ATOM 61 N SER A 2 114.430 5.473 0.447 1.00 0.00 N ATOM 62 CA SER A 2 113.891 4.285 1.178 1.00 0.00 C ATOM 63 C SER A 2 112.711 3.679 0.413 1.00 0.00 C ATOM 64 O SER A 2 112.016 4.366 -0.315 1.00 0.00 O ATOM 65 CB SER A 2 113.431 4.828 2.530 1.00 0.00 C ATOM 66 OG SER A 2 114.536 5.424 3.198 1.00 0.00 O ATOM 0 H SER A 2 113.821 6.291 0.447 1.00 0.00 H new ATOM 0 HA SER A 2 114.635 3.496 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.638 5.562 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 2 113.016 4.023 3.136 1.00 0.00 H new ATOM 0 HG SER A 2 114.244 5.775 4.065 1.00 0.00 H new ATOM 72 N VAL A 3 112.483 2.397 0.575 1.00 0.00 N ATOM 73 CA VAL A 3 111.346 1.727 -0.141 1.00 0.00 C ATOM 74 C VAL A 3 110.002 2.269 0.375 1.00 0.00 C ATOM 75 O VAL A 3 109.024 2.305 -0.348 1.00 0.00 O ATOM 76 CB VAL A 3 111.486 0.225 0.171 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.370 -0.561 -0.527 1.00 0.00 C ATOM 78 CG2 VAL A 3 112.842 -0.283 -0.332 1.00 0.00 C ATOM 0 H VAL A 3 113.036 1.783 1.173 1.00 0.00 H new ATOM 0 HA VAL A 3 111.373 1.914 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 3 111.414 0.082 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 3 110.476 -1.622 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.401 -0.210 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.438 -0.411 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.938 -1.346 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 3 112.911 -0.130 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.643 0.265 0.164 1.00 0.00 H new ATOM 88 N ALA A 4 109.951 2.687 1.620 1.00 0.00 N ATOM 89 CA ALA A 4 108.667 3.208 2.200 1.00 0.00 C ATOM 90 C ALA A 4 108.183 4.441 1.426 1.00 0.00 C ATOM 91 O ALA A 4 106.997 4.702 1.345 1.00 0.00 O ATOM 92 CB ALA A 4 108.996 3.582 3.648 1.00 0.00 C ATOM 0 H ALA A 4 110.744 2.690 2.261 1.00 0.00 H new ATOM 0 HA ALA A 4 107.870 2.467 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 4 108.102 3.971 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.345 2.698 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.776 4.343 3.659 1.00 0.00 H new ATOM 98 N ASP A 5 109.093 5.198 0.860 1.00 0.00 N ATOM 99 CA ASP A 5 108.690 6.397 0.052 1.00 0.00 C ATOM 100 C ASP A 5 107.898 5.962 -1.187 1.00 0.00 C ATOM 101 O ASP A 5 106.944 6.609 -1.580 1.00 0.00 O ATOM 102 CB ASP A 5 110.001 7.072 -0.363 1.00 0.00 C ATOM 103 CG ASP A 5 110.721 7.609 0.877 1.00 0.00 C ATOM 104 OD1 ASP A 5 110.053 8.166 1.734 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.929 7.455 0.949 1.00 0.00 O ATOM 0 H ASP A 5 110.099 5.038 0.922 1.00 0.00 H new ATOM 0 HA ASP A 5 108.051 7.072 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.639 6.359 -0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.798 7.886 -1.058 1.00 0.00 H new ATOM 110 N PHE A 6 108.290 4.870 -1.798 1.00 0.00 N ATOM 111 CA PHE A 6 107.549 4.365 -3.000 1.00 0.00 C ATOM 112 C PHE A 6 106.244 3.672 -2.580 1.00 0.00 C ATOM 113 O PHE A 6 105.306 3.594 -3.352 1.00 0.00 O ATOM 114 CB PHE A 6 108.493 3.367 -3.672 1.00 0.00 C ATOM 115 CG PHE A 6 109.723 4.012 -4.269 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.894 4.160 -3.486 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.706 4.468 -5.610 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.047 4.763 -4.044 1.00 0.00 C ATOM 119 CE2 PHE A 6 110.859 5.072 -6.167 1.00 0.00 C ATOM 120 CZ PHE A 6 112.029 5.220 -5.384 1.00 0.00 C ATOM 0 H PHE A 6 109.092 4.305 -1.517 1.00 0.00 H new ATOM 0 HA PHE A 6 107.272 5.177 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.802 2.621 -2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 6 107.952 2.838 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.907 3.813 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 6 108.813 4.355 -6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.940 4.874 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 6 110.846 5.420 -7.189 1.00 0.00 H new ATOM 0 HZ PHE A 6 112.908 5.682 -5.809 1.00 0.00 H new ATOM 130 N TYR A 7 106.177 3.169 -1.367 1.00 0.00 N ATOM 131 CA TYR A 7 104.922 2.497 -0.888 1.00 0.00 C ATOM 132 C TYR A 7 103.748 3.486 -0.898 1.00 0.00 C ATOM 133 O TYR A 7 103.843 4.578 -0.366 1.00 0.00 O ATOM 134 CB TYR A 7 105.225 2.040 0.547 1.00 0.00 C ATOM 135 CG TYR A 7 105.681 0.599 0.658 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.564 0.046 -0.307 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.232 -0.196 1.741 1.00 0.00 C ATOM 138 CE1 TYR A 7 106.995 -1.298 -0.184 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.660 -1.540 1.859 1.00 0.00 C ATOM 140 CZ TYR A 7 106.541 -2.090 0.899 1.00 0.00 C ATOM 141 OH TYR A 7 106.962 -3.397 1.023 1.00 0.00 O ATOM 0 H TYR A 7 106.937 3.195 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 7 104.640 1.661 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 7 105.996 2.686 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.331 2.174 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 7 106.907 0.650 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.563 0.224 2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 7 107.669 -1.718 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.313 -2.146 2.683 1.00 0.00 H new ATOM 0 HH TYR A 7 106.557 -3.797 1.821 1.00 0.00 H new ATOM 151 N GLY A 8 102.649 3.106 -1.500 1.00 0.00 N ATOM 152 CA GLY A 8 101.463 4.013 -1.560 1.00 0.00 C ATOM 153 C GLY A 8 101.539 4.928 -2.794 1.00 0.00 C ATOM 154 O GLY A 8 100.670 5.756 -3.001 1.00 0.00 O ATOM 0 H GLY A 8 102.522 2.202 -1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.548 3.421 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.416 4.618 -0.655 1.00 0.00 H new ATOM 158 N SER A 9 102.561 4.794 -3.615 1.00 0.00 N ATOM 159 CA SER A 9 102.665 5.659 -4.832 1.00 0.00 C ATOM 160 C SER A 9 101.905 5.018 -5.997 1.00 0.00 C ATOM 161 O SER A 9 101.806 3.810 -6.089 1.00 0.00 O ATOM 162 CB SER A 9 104.161 5.743 -5.142 1.00 0.00 C ATOM 163 OG SER A 9 104.615 4.487 -5.630 1.00 0.00 O ATOM 0 H SER A 9 103.322 4.125 -3.492 1.00 0.00 H new ATOM 0 HA SER A 9 102.233 6.647 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.347 6.521 -5.882 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.714 6.018 -4.244 1.00 0.00 H new ATOM 0 HG SER A 9 104.613 3.832 -4.901 1.00 0.00 H new ATOM 169 N ASN A 10 101.372 5.820 -6.885 1.00 0.00 N ATOM 170 CA ASN A 10 100.641 5.262 -8.065 1.00 0.00 C ATOM 171 C ASN A 10 101.580 5.183 -9.270 1.00 0.00 C ATOM 172 O ASN A 10 102.036 6.191 -9.781 1.00 0.00 O ATOM 173 CB ASN A 10 99.504 6.249 -8.339 1.00 0.00 C ATOM 174 CG ASN A 10 98.509 6.226 -7.178 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.860 6.538 -6.057 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.274 5.868 -7.400 1.00 0.00 N ATOM 0 H ASN A 10 101.411 6.838 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 10 100.266 4.255 -7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.905 7.254 -8.466 1.00 0.00 H new ATOM 0 HB3 ASN A 10 98.999 5.987 -9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.602 5.850 -6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.980 5.606 -8.341 1.00 0.00 H new ATOM 183 N VAL A 11 101.867 3.990 -9.723 1.00 0.00 N ATOM 184 CA VAL A 11 102.751 3.821 -10.919 1.00 0.00 C ATOM 185 C VAL A 11 102.090 2.867 -11.917 1.00 0.00 C ATOM 186 O VAL A 11 101.219 2.097 -11.558 1.00 0.00 O ATOM 187 CB VAL A 11 104.068 3.229 -10.385 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.731 4.230 -9.436 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.802 1.919 -9.628 1.00 0.00 C ATOM 0 H VAL A 11 101.526 3.120 -9.315 1.00 0.00 H new ATOM 0 HA VAL A 11 102.927 4.763 -11.439 1.00 0.00 H new ATOM 0 HB VAL A 11 104.725 3.024 -11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.663 3.810 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.941 5.156 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.062 4.438 -8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.744 1.515 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.135 2.113 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.337 1.198 -10.301 1.00 0.00 H new ATOM 199 N GLU A 12 102.494 2.912 -13.164 1.00 0.00 N ATOM 200 CA GLU A 12 101.995 1.909 -14.149 1.00 0.00 C ATOM 201 C GLU A 12 103.175 1.101 -14.695 1.00 0.00 C ATOM 202 O GLU A 12 104.267 1.612 -14.845 1.00 0.00 O ATOM 203 CB GLU A 12 101.329 2.736 -15.256 1.00 0.00 C ATOM 204 CG GLU A 12 100.757 1.807 -16.334 1.00 0.00 C ATOM 205 CD GLU A 12 100.120 2.645 -17.444 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.140 3.315 -17.165 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.624 2.601 -18.555 1.00 0.00 O ATOM 0 H GLU A 12 103.147 3.600 -13.539 1.00 0.00 H new ATOM 0 HA GLU A 12 101.295 1.196 -13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.533 3.350 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.055 3.417 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.548 1.180 -16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.015 1.139 -15.897 1.00 0.00 H new ATOM 214 N VAL A 13 102.959 -0.155 -14.985 1.00 0.00 N ATOM 215 CA VAL A 13 104.058 -1.002 -15.536 1.00 0.00 C ATOM 216 C VAL A 13 103.547 -1.799 -16.738 1.00 0.00 C ATOM 217 O VAL A 13 102.416 -2.251 -16.748 1.00 0.00 O ATOM 218 CB VAL A 13 104.468 -1.938 -14.383 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.324 -2.899 -14.030 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.689 -2.757 -14.800 1.00 0.00 C ATOM 0 H VAL A 13 102.066 -0.632 -14.864 1.00 0.00 H new ATOM 0 HA VAL A 13 104.905 -0.411 -15.885 1.00 0.00 H new ATOM 0 HB VAL A 13 104.702 -1.327 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.635 -3.551 -13.214 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.449 -2.326 -13.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.075 -3.504 -14.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 105.979 -3.419 -13.984 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.445 -3.351 -15.680 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.515 -2.085 -15.033 1.00 0.00 H new ATOM 230 N LEU A 14 104.364 -1.972 -17.746 1.00 0.00 N ATOM 231 CA LEU A 14 104.007 -2.956 -18.810 1.00 0.00 C ATOM 232 C LEU A 14 104.632 -4.301 -18.477 1.00 0.00 C ATOM 233 O LEU A 14 105.783 -4.376 -18.086 1.00 0.00 O ATOM 234 CB LEU A 14 104.586 -2.443 -20.135 1.00 0.00 C ATOM 235 CG LEU A 14 104.111 -1.015 -20.483 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.067 -0.878 -22.005 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.708 -0.737 -19.934 1.00 0.00 C ATOM 0 H LEU A 14 105.249 -1.483 -17.877 1.00 0.00 H new ATOM 0 HA LEU A 14 102.925 -3.070 -18.882 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.675 -2.455 -20.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.300 -3.122 -20.938 1.00 0.00 H new ATOM 0 HG LEU A 14 104.805 -0.304 -20.035 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.733 0.125 -22.271 1.00 0.00 H new ATOM 0 HD12 LEU A 14 105.062 -1.050 -22.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.374 -1.612 -22.416 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.408 0.277 -20.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.002 -1.448 -20.363 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.714 -0.842 -18.849 1.00 0.00 H new ATOM 249 N LEU A 15 103.888 -5.360 -18.629 1.00 0.00 N ATOM 250 CA LEU A 15 104.478 -6.712 -18.422 1.00 0.00 C ATOM 251 C LEU A 15 105.121 -7.203 -19.723 1.00 0.00 C ATOM 252 O LEU A 15 105.020 -6.564 -20.754 1.00 0.00 O ATOM 253 CB LEU A 15 103.309 -7.615 -18.015 1.00 0.00 C ATOM 254 CG LEU A 15 102.752 -7.162 -16.662 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.431 -7.884 -16.388 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.755 -7.504 -15.557 1.00 0.00 C ATOM 0 H LEU A 15 102.901 -5.349 -18.886 1.00 0.00 H new ATOM 0 HA LEU A 15 105.258 -6.710 -17.660 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.526 -7.576 -18.773 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.642 -8.651 -17.953 1.00 0.00 H new ATOM 0 HG LEU A 15 102.583 -6.085 -16.681 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.034 -7.563 -15.425 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.715 -7.644 -17.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.602 -8.960 -16.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.359 -7.182 -14.594 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.923 -8.581 -15.538 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.698 -6.993 -15.751 1.00 0.00 H new ATOM 268 N ASN A 16 105.779 -8.336 -19.676 1.00 0.00 N ATOM 269 CA ASN A 16 106.523 -8.852 -20.880 1.00 0.00 C ATOM 270 C ASN A 16 105.593 -9.012 -22.094 1.00 0.00 C ATOM 271 O ASN A 16 106.045 -9.049 -23.225 1.00 0.00 O ATOM 272 CB ASN A 16 107.100 -10.213 -20.456 1.00 0.00 C ATOM 273 CG ASN A 16 105.974 -11.163 -20.025 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.083 -11.456 -20.797 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.979 -11.655 -18.816 1.00 0.00 N ATOM 0 H ASN A 16 105.836 -8.933 -18.851 1.00 0.00 H new ATOM 0 HA ASN A 16 107.303 -8.155 -21.188 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.658 -10.652 -21.283 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.803 -10.077 -19.634 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.235 -12.286 -18.519 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.727 -11.409 -18.168 1.00 0.00 H new ATOM 282 N ASN A 17 104.305 -9.107 -21.870 1.00 0.00 N ATOM 283 CA ASN A 17 103.350 -9.302 -23.007 1.00 0.00 C ATOM 284 C ASN A 17 102.782 -7.953 -23.488 1.00 0.00 C ATOM 285 O ASN A 17 101.718 -7.905 -24.076 1.00 0.00 O ATOM 286 CB ASN A 17 102.236 -10.206 -22.450 1.00 0.00 C ATOM 287 CG ASN A 17 101.492 -9.515 -21.295 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.968 -8.545 -20.739 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.337 -9.984 -20.910 1.00 0.00 N ATOM 0 H ASN A 17 103.873 -9.058 -20.947 1.00 0.00 H new ATOM 0 HA ASN A 17 103.837 -9.750 -23.873 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.532 -10.453 -23.245 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.665 -11.145 -22.101 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.835 -9.536 -20.143 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.936 -10.798 -21.376 1.00 0.00 H new ATOM 296 N ASP A 18 103.481 -6.857 -23.239 1.00 0.00 N ATOM 297 CA ASP A 18 103.048 -5.516 -23.771 1.00 0.00 C ATOM 298 C ASP A 18 101.638 -5.166 -23.279 1.00 0.00 C ATOM 299 O ASP A 18 100.921 -4.417 -23.918 1.00 0.00 O ATOM 300 CB ASP A 18 103.073 -5.633 -25.304 1.00 0.00 C ATOM 301 CG ASP A 18 104.506 -5.889 -25.777 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.879 -7.047 -25.875 1.00 0.00 O ATOM 303 OD2 ASP A 18 105.206 -4.923 -26.032 1.00 0.00 O ATOM 0 H ASP A 18 104.338 -6.838 -22.686 1.00 0.00 H new ATOM 0 HA ASP A 18 103.710 -4.722 -23.424 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.422 -6.445 -25.627 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.689 -4.718 -25.755 1.00 0.00 H new ATOM 308 N SER A 19 101.236 -5.703 -22.148 1.00 0.00 N ATOM 309 CA SER A 19 99.969 -5.249 -21.507 1.00 0.00 C ATOM 310 C SER A 19 100.300 -4.284 -20.368 1.00 0.00 C ATOM 311 O SER A 19 101.289 -4.450 -19.679 1.00 0.00 O ATOM 312 CB SER A 19 99.314 -6.521 -20.967 1.00 0.00 C ATOM 313 OG SER A 19 100.097 -7.037 -19.897 1.00 0.00 O ATOM 0 H SER A 19 101.735 -6.437 -21.645 1.00 0.00 H new ATOM 0 HA SER A 19 99.308 -4.726 -22.199 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.303 -6.304 -20.621 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.227 -7.264 -21.760 1.00 0.00 H new ATOM 0 HG SER A 19 100.971 -7.320 -20.238 1.00 0.00 H new ATOM 319 N LYS A 20 99.484 -3.281 -20.166 1.00 0.00 N ATOM 320 CA LYS A 20 99.820 -2.232 -19.155 1.00 0.00 C ATOM 321 C LYS A 20 98.890 -2.326 -17.938 1.00 0.00 C ATOM 322 O LYS A 20 97.717 -2.628 -18.063 1.00 0.00 O ATOM 323 CB LYS A 20 99.639 -0.886 -19.884 1.00 0.00 C ATOM 324 CG LYS A 20 98.184 -0.705 -20.343 1.00 0.00 C ATOM 325 CD LYS A 20 97.995 0.714 -20.885 1.00 0.00 C ATOM 326 CE LYS A 20 98.642 0.824 -22.267 1.00 0.00 C ATOM 327 NZ LYS A 20 97.626 0.283 -23.211 1.00 0.00 N ATOM 0 H LYS A 20 98.600 -3.143 -20.657 1.00 0.00 H new ATOM 0 HA LYS A 20 100.834 -2.350 -18.774 1.00 0.00 H new ATOM 0 HB2 LYS A 20 99.920 -0.068 -19.221 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.305 -0.842 -20.746 1.00 0.00 H new ATOM 0 HG2 LYS A 20 97.941 -1.436 -21.114 1.00 0.00 H new ATOM 0 HG3 LYS A 20 97.504 -0.882 -19.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 96.933 0.952 -20.949 1.00 0.00 H new ATOM 0 HD3 LYS A 20 98.443 1.437 -20.204 1.00 0.00 H new ATOM 0 HE2 LYS A 20 98.891 1.858 -22.505 1.00 0.00 H new ATOM 0 HE3 LYS A 20 99.569 0.253 -22.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.095 -0.319 -23.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 96.928 -0.280 -22.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.144 1.070 -23.691 1.00 0.00 H new ATOM 341 N ALA A 21 99.416 -2.069 -16.766 1.00 0.00 N ATOM 342 CA ALA A 21 98.560 -2.026 -15.541 1.00 0.00 C ATOM 343 C ALA A 21 99.025 -0.896 -14.617 1.00 0.00 C ATOM 344 O ALA A 21 100.208 -0.634 -14.498 1.00 0.00 O ATOM 345 CB ALA A 21 98.760 -3.384 -14.870 1.00 0.00 C ATOM 0 H ALA A 21 100.406 -1.886 -16.605 1.00 0.00 H new ATOM 0 HA ALA A 21 97.512 -1.839 -15.773 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.162 -3.432 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.448 -4.176 -15.551 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.813 -3.515 -14.620 1.00 0.00 H new ATOM 351 N ARG A 22 98.104 -0.227 -13.963 1.00 0.00 N ATOM 352 CA ARG A 22 98.485 0.917 -13.076 1.00 0.00 C ATOM 353 C ARG A 22 97.701 0.863 -11.762 1.00 0.00 C ATOM 354 O ARG A 22 96.550 0.470 -11.736 1.00 0.00 O ATOM 355 CB ARG A 22 98.143 2.188 -13.869 1.00 0.00 C ATOM 356 CG ARG A 22 96.645 2.227 -14.207 1.00 0.00 C ATOM 357 CD ARG A 22 96.369 3.381 -15.175 1.00 0.00 C ATOM 358 NE ARG A 22 94.881 3.412 -15.329 1.00 0.00 N ATOM 359 CZ ARG A 22 94.098 3.910 -14.389 1.00 0.00 C ATOM 360 NH1 ARG A 22 94.586 4.388 -13.267 1.00 0.00 N ATOM 361 NH2 ARG A 22 92.807 3.924 -14.578 1.00 0.00 N ATOM 0 H ARG A 22 97.104 -0.425 -14.006 1.00 0.00 H new ATOM 0 HA ARG A 22 99.541 0.888 -12.809 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.413 3.070 -13.288 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.730 2.219 -14.787 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.338 1.282 -14.654 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.059 2.354 -13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 22 96.744 4.325 -14.780 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.861 3.218 -16.134 1.00 0.00 H new ATOM 0 HE ARG A 22 94.461 3.039 -16.181 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.593 4.381 -13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 22 93.958 4.767 -12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.414 3.553 -15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.191 4.306 -13.860 1.00 0.00 H new ATOM 375 N GLY A 23 98.323 1.258 -10.678 1.00 0.00 N ATOM 376 CA GLY A 23 97.626 1.240 -9.357 1.00 0.00 C ATOM 377 C GLY A 23 98.588 1.720 -8.270 1.00 0.00 C ATOM 378 O GLY A 23 99.678 2.180 -8.559 1.00 0.00 O ATOM 0 H GLY A 23 99.286 1.593 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.746 1.882 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.277 0.232 -9.131 1.00 0.00 H new ATOM 382 N VAL A 24 98.198 1.617 -7.023 1.00 0.00 N ATOM 383 CA VAL A 24 99.074 2.105 -5.911 1.00 0.00 C ATOM 384 C VAL A 24 99.938 0.950 -5.392 1.00 0.00 C ATOM 385 O VAL A 24 99.456 -0.145 -5.177 1.00 0.00 O ATOM 386 CB VAL A 24 98.114 2.606 -4.816 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.917 3.150 -3.628 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.223 3.728 -5.365 1.00 0.00 C ATOM 0 H VAL A 24 97.309 1.215 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 24 99.751 2.896 -6.233 1.00 0.00 H new ATOM 0 HB VAL A 24 97.492 1.771 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.232 3.503 -2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.545 2.358 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.545 3.976 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.549 4.074 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.847 4.557 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.640 3.351 -6.205 1.00 0.00 H new ATOM 398 N ILE A 25 101.208 1.192 -5.190 1.00 0.00 N ATOM 399 CA ILE A 25 102.112 0.111 -4.674 1.00 0.00 C ATOM 400 C ILE A 25 101.860 -0.115 -3.178 1.00 0.00 C ATOM 401 O ILE A 25 101.669 0.822 -2.425 1.00 0.00 O ATOM 402 CB ILE A 25 103.540 0.633 -4.928 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.787 0.707 -6.440 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.582 -0.298 -4.285 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.050 1.527 -6.719 1.00 0.00 C ATOM 0 H ILE A 25 101.661 2.090 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 25 101.944 -0.848 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 25 103.637 1.623 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.896 -0.297 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.930 1.162 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.583 0.089 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.411 -0.347 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.491 -1.296 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.221 1.577 -7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.924 2.535 -6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.905 1.053 -6.237 1.00 0.00 H new ATOM 417 N THR A 26 101.858 -1.357 -2.747 1.00 0.00 N ATOM 418 CA THR A 26 101.609 -1.655 -1.303 1.00 0.00 C ATOM 419 C THR A 26 102.740 -2.500 -0.699 1.00 0.00 C ATOM 420 O THR A 26 103.095 -2.316 0.451 1.00 0.00 O ATOM 421 CB THR A 26 100.292 -2.432 -1.277 1.00 0.00 C ATOM 422 OG1 THR A 26 100.368 -3.522 -2.185 1.00 0.00 O ATOM 423 CG2 THR A 26 99.141 -1.508 -1.681 1.00 0.00 C ATOM 0 H THR A 26 102.018 -2.175 -3.335 1.00 0.00 H new ATOM 0 HA THR A 26 101.564 -0.740 -0.712 1.00 0.00 H new ATOM 0 HB THR A 26 100.114 -2.809 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.477 -3.181 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.204 -2.064 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.082 -0.673 -0.982 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.316 -1.127 -2.687 1.00 0.00 H new ATOM 431 N ASN A 27 103.311 -3.419 -1.451 1.00 0.00 N ATOM 432 CA ASN A 27 104.309 -4.357 -0.843 1.00 0.00 C ATOM 433 C ASN A 27 105.513 -4.554 -1.767 1.00 0.00 C ATOM 434 O ASN A 27 105.393 -4.514 -2.976 1.00 0.00 O ATOM 435 CB ASN A 27 103.554 -5.674 -0.666 1.00 0.00 C ATOM 436 CG ASN A 27 104.381 -6.626 0.199 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.978 -7.559 -0.302 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.443 -6.430 1.488 1.00 0.00 N ATOM 0 H ASN A 27 103.130 -3.557 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 27 104.702 -3.973 0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.586 -5.490 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.359 -6.127 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.992 -7.059 2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.943 -5.648 1.910 1.00 0.00 H new ATOM 445 N PHE A 28 106.674 -4.760 -1.193 1.00 0.00 N ATOM 446 CA PHE A 28 107.880 -5.108 -2.000 1.00 0.00 C ATOM 447 C PHE A 28 108.810 -6.000 -1.175 1.00 0.00 C ATOM 448 O PHE A 28 109.137 -5.689 -0.044 1.00 0.00 O ATOM 449 CB PHE A 28 108.550 -3.771 -2.315 1.00 0.00 C ATOM 450 CG PHE A 28 109.668 -3.883 -3.324 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.373 -4.191 -4.674 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.010 -3.678 -2.921 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.420 -4.294 -5.622 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.058 -3.782 -3.869 1.00 0.00 C ATOM 455 CZ PHE A 28 111.763 -4.091 -5.219 1.00 0.00 C ATOM 0 H PHE A 28 106.836 -4.700 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 28 107.632 -5.655 -2.910 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.799 -3.077 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.944 -3.345 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.349 -4.347 -4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.235 -3.442 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.195 -4.527 -6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.082 -3.626 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.562 -4.172 -5.941 1.00 0.00 H new ATOM 465 N ASP A 29 109.236 -7.106 -1.734 1.00 0.00 N ATOM 466 CA ASP A 29 110.078 -8.071 -0.962 1.00 0.00 C ATOM 467 C ASP A 29 111.413 -8.289 -1.677 1.00 0.00 C ATOM 468 O ASP A 29 111.448 -8.693 -2.822 1.00 0.00 O ATOM 469 CB ASP A 29 109.266 -9.367 -0.933 1.00 0.00 C ATOM 470 CG ASP A 29 109.925 -10.367 0.021 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.328 -9.954 1.097 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.016 -11.528 -0.340 1.00 0.00 O ATOM 0 H ASP A 29 109.036 -7.383 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 29 110.308 -7.713 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.245 -9.161 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.205 -9.792 -1.935 1.00 0.00 H new ATOM 477 N SER A 30 112.506 -8.022 -1.004 1.00 0.00 N ATOM 478 CA SER A 30 113.852 -8.193 -1.642 1.00 0.00 C ATOM 479 C SER A 30 114.181 -9.680 -1.838 1.00 0.00 C ATOM 480 O SER A 30 114.948 -10.037 -2.712 1.00 0.00 O ATOM 481 CB SER A 30 114.846 -7.552 -0.671 1.00 0.00 C ATOM 482 OG SER A 30 114.905 -8.328 0.520 1.00 0.00 O ATOM 0 H SER A 30 112.525 -7.692 -0.039 1.00 0.00 H new ATOM 0 HA SER A 30 113.888 -7.732 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.833 -7.492 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.540 -6.532 -0.440 1.00 0.00 H new ATOM 0 HG SER A 30 115.542 -7.922 1.144 1.00 0.00 H new ATOM 488 N SER A 31 113.605 -10.547 -1.033 1.00 0.00 N ATOM 489 CA SER A 31 113.935 -12.009 -1.128 1.00 0.00 C ATOM 490 C SER A 31 113.571 -12.562 -2.512 1.00 0.00 C ATOM 491 O SER A 31 114.369 -13.219 -3.155 1.00 0.00 O ATOM 492 CB SER A 31 113.092 -12.689 -0.048 1.00 0.00 C ATOM 493 OG SER A 31 113.487 -14.050 0.070 1.00 0.00 O ATOM 0 H SER A 31 112.922 -10.305 -0.315 1.00 0.00 H new ATOM 0 HA SER A 31 115.001 -12.187 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.221 -12.177 0.906 1.00 0.00 H new ATOM 0 HB3 SER A 31 112.034 -12.626 -0.303 1.00 0.00 H new ATOM 0 HG SER A 31 112.949 -14.488 0.763 1.00 0.00 H new ATOM 499 N ASN A 32 112.372 -12.297 -2.973 1.00 0.00 N ATOM 500 CA ASN A 32 111.949 -12.792 -4.323 1.00 0.00 C ATOM 501 C ASN A 32 111.485 -11.633 -5.222 1.00 0.00 C ATOM 502 O ASN A 32 110.936 -11.857 -6.284 1.00 0.00 O ATOM 503 CB ASN A 32 110.787 -13.747 -4.047 1.00 0.00 C ATOM 504 CG ASN A 32 111.299 -14.979 -3.293 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.397 -15.441 -3.533 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.542 -15.534 -2.387 1.00 0.00 N ATOM 0 H ASN A 32 111.666 -11.758 -2.472 1.00 0.00 H new ATOM 0 HA ASN A 32 112.772 -13.277 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.020 -13.242 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.322 -14.050 -4.985 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.872 -16.355 -1.880 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.620 -15.146 -2.185 1.00 0.00 H new ATOM 513 N SER A 33 111.700 -10.396 -4.809 1.00 0.00 N ATOM 514 CA SER A 33 111.251 -9.210 -5.620 1.00 0.00 C ATOM 515 C SER A 33 109.768 -9.338 -6.009 1.00 0.00 C ATOM 516 O SER A 33 109.428 -9.492 -7.170 1.00 0.00 O ATOM 517 CB SER A 33 112.148 -9.203 -6.864 1.00 0.00 C ATOM 518 OG SER A 33 113.500 -9.400 -6.470 1.00 0.00 O ATOM 0 H SER A 33 112.172 -10.158 -3.936 1.00 0.00 H new ATOM 0 HA SER A 33 111.338 -8.281 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.840 -9.989 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.046 -8.256 -7.395 1.00 0.00 H new ATOM 0 HG SER A 33 114.076 -9.398 -7.263 1.00 0.00 H new ATOM 524 N ILE A 34 108.887 -9.276 -5.039 1.00 0.00 N ATOM 525 CA ILE A 34 107.424 -9.414 -5.331 1.00 0.00 C ATOM 526 C ILE A 34 106.705 -8.099 -5.005 1.00 0.00 C ATOM 527 O ILE A 34 106.921 -7.510 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.922 -10.550 -4.422 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.764 -11.831 -4.630 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.450 -10.850 -4.733 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.681 -12.328 -6.086 1.00 0.00 C ATOM 0 H ILE A 34 109.118 -9.135 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 34 107.233 -9.636 -6.381 1.00 0.00 H new ATOM 0 HB ILE A 34 107.022 -10.231 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.804 -11.631 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.412 -12.613 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.098 -11.655 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.852 -9.956 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.353 -11.153 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.284 -13.229 -6.198 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.644 -12.552 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.057 -11.555 -6.756 1.00 0.00 H new ATOM 543 N LEU A 35 105.853 -7.642 -5.891 1.00 0.00 N ATOM 544 CA LEU A 35 105.204 -6.307 -5.706 1.00 0.00 C ATOM 545 C LEU A 35 103.681 -6.446 -5.749 1.00 0.00 C ATOM 546 O LEU A 35 103.125 -6.981 -6.692 1.00 0.00 O ATOM 547 CB LEU A 35 105.702 -5.472 -6.889 1.00 0.00 C ATOM 548 CG LEU A 35 105.229 -4.024 -6.741 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.197 -3.256 -5.838 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.185 -3.363 -8.120 1.00 0.00 C ATOM 0 H LEU A 35 105.578 -8.139 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 35 105.449 -5.852 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.790 -5.505 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.330 -5.892 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 35 104.234 -4.011 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.858 -2.225 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.230 -3.728 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.193 -3.267 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.848 -2.331 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.181 -3.378 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.494 -3.908 -8.763 1.00 0.00 H new ATOM 562 N GLN A 36 103.009 -5.967 -4.733 1.00 0.00 N ATOM 563 CA GLN A 36 101.518 -5.950 -4.754 1.00 0.00 C ATOM 564 C GLN A 36 101.020 -4.543 -5.085 1.00 0.00 C ATOM 565 O GLN A 36 101.442 -3.572 -4.482 1.00 0.00 O ATOM 566 CB GLN A 36 101.092 -6.353 -3.343 1.00 0.00 C ATOM 567 CG GLN A 36 101.381 -7.838 -3.127 1.00 0.00 C ATOM 568 CD GLN A 36 100.994 -8.232 -1.700 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.771 -8.069 -0.781 1.00 0.00 O ATOM 570 NE2 GLN A 36 99.816 -8.748 -1.476 1.00 0.00 N ATOM 0 H GLN A 36 103.432 -5.586 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 36 101.106 -6.623 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.629 -5.756 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.030 -6.154 -3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.821 -8.436 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.438 -8.042 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 36 99.164 -8.885 -2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.548 -9.015 -0.529 1.00 0.00 H new ATOM 579 N LEU A 37 100.130 -4.431 -6.041 1.00 0.00 N ATOM 580 CA LEU A 37 99.561 -3.096 -6.394 1.00 0.00 C ATOM 581 C LEU A 37 98.090 -3.030 -5.985 1.00 0.00 C ATOM 582 O LEU A 37 97.274 -3.809 -6.446 1.00 0.00 O ATOM 583 CB LEU A 37 99.695 -2.991 -7.914 1.00 0.00 C ATOM 584 CG LEU A 37 101.141 -2.657 -8.284 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.374 -2.967 -9.765 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.400 -1.169 -8.034 1.00 0.00 C ATOM 0 H LEU A 37 99.773 -5.211 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 37 100.075 -2.282 -5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.398 -3.930 -8.380 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.025 -2.220 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 37 101.818 -3.255 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.404 -2.729 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.187 -4.025 -9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.696 -2.368 -10.373 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.430 -0.930 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.722 -0.574 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.233 -0.942 -6.981 1.00 0.00 H new ATOM 598 N ARG A 38 97.749 -2.107 -5.122 1.00 0.00 N ATOM 599 CA ARG A 38 96.319 -1.941 -4.719 1.00 0.00 C ATOM 600 C ARG A 38 95.675 -0.821 -5.543 1.00 0.00 C ATOM 601 O ARG A 38 96.154 0.297 -5.564 1.00 0.00 O ATOM 602 CB ARG A 38 96.361 -1.571 -3.235 1.00 0.00 C ATOM 603 CG ARG A 38 94.939 -1.549 -2.670 1.00 0.00 C ATOM 604 CD ARG A 38 94.993 -1.305 -1.158 1.00 0.00 C ATOM 605 NE ARG A 38 95.475 0.105 -0.998 1.00 0.00 N ATOM 606 CZ ARG A 38 95.948 0.543 0.153 1.00 0.00 C ATOM 607 NH1 ARG A 38 96.012 -0.232 1.213 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.361 1.777 0.243 1.00 0.00 N ATOM 0 H ARG A 38 98.400 -1.460 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 38 95.730 -2.842 -4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.969 -2.291 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.829 -0.595 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.356 -0.766 -3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.439 -2.495 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 94.011 -1.438 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.668 -2.008 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 38 95.437 0.739 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.691 -1.199 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 38 96.382 0.133 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.316 2.391 -0.571 1.00 0.00 H new ATOM 0 HH22 ARG A 38 96.729 2.128 1.127 1.00 0.00 H new ATOM 622 N LEU A 39 94.594 -1.120 -6.219 1.00 0.00 N ATOM 623 CA LEU A 39 93.984 -0.126 -7.151 1.00 0.00 C ATOM 624 C LEU A 39 92.756 0.536 -6.515 1.00 0.00 C ATOM 625 O LEU A 39 92.019 -0.086 -5.770 1.00 0.00 O ATOM 626 CB LEU A 39 93.595 -0.943 -8.387 1.00 0.00 C ATOM 627 CG LEU A 39 93.237 -0.016 -9.560 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.436 0.864 -9.927 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.872 -0.871 -10.771 1.00 0.00 C ATOM 0 H LEU A 39 94.106 -2.014 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 39 94.668 0.686 -7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.420 -1.596 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.746 -1.585 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 39 92.400 0.619 -9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.168 1.515 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.718 1.471 -9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.276 0.232 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.616 -0.224 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.721 -1.498 -11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.018 -1.503 -10.526 1.00 0.00 H new ATOM 641 N ALA A 40 92.537 1.795 -6.816 1.00 0.00 N ATOM 642 CA ALA A 40 91.432 2.568 -6.154 1.00 0.00 C ATOM 643 C ALA A 40 90.048 1.989 -6.493 1.00 0.00 C ATOM 644 O ALA A 40 89.057 2.374 -5.899 1.00 0.00 O ATOM 645 CB ALA A 40 91.556 3.995 -6.696 1.00 0.00 C ATOM 0 H ALA A 40 93.080 2.326 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 40 91.521 2.524 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.779 4.620 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.535 4.398 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.442 3.984 -7.780 1.00 0.00 H new ATOM 651 N ASN A 41 89.964 1.076 -7.436 1.00 0.00 N ATOM 652 CA ASN A 41 88.650 0.426 -7.750 1.00 0.00 C ATOM 653 C ASN A 41 88.399 -0.787 -6.832 1.00 0.00 C ATOM 654 O ASN A 41 87.755 -1.739 -7.232 1.00 0.00 O ATOM 655 CB ASN A 41 88.772 -0.030 -9.206 1.00 0.00 C ATOM 656 CG ASN A 41 87.381 -0.318 -9.771 1.00 0.00 C ATOM 657 OD1 ASN A 41 86.433 0.382 -9.474 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.215 -1.330 -10.578 1.00 0.00 N ATOM 0 H ASN A 41 90.750 0.754 -8.001 1.00 0.00 H new ATOM 0 HA ASN A 41 87.816 1.111 -7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.264 0.741 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.393 -0.924 -9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 41 86.291 -1.533 -10.959 1.00 0.00 H new ATOM 0 HD22 ASN A 41 88.010 -1.918 -10.828 1.00 0.00 H new ATOM 665 N ASP A 42 88.901 -0.769 -5.603 1.00 0.00 N ATOM 666 CA ASP A 42 88.645 -1.897 -4.641 1.00 0.00 C ATOM 667 C ASP A 42 89.208 -3.214 -5.193 1.00 0.00 C ATOM 668 O ASP A 42 88.716 -4.281 -4.876 1.00 0.00 O ATOM 669 CB ASP A 42 87.120 -1.989 -4.488 1.00 0.00 C ATOM 670 CG ASP A 42 86.781 -2.791 -3.231 1.00 0.00 C ATOM 671 OD1 ASP A 42 86.780 -2.207 -2.160 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.527 -3.978 -3.360 1.00 0.00 O ATOM 0 H ASP A 42 89.478 -0.015 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 42 89.131 -1.718 -3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.690 -0.990 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.684 -2.466 -5.366 1.00 0.00 H new ATOM 677 N SER A 43 90.235 -3.149 -6.017 1.00 0.00 N ATOM 678 CA SER A 43 90.854 -4.402 -6.548 1.00 0.00 C ATOM 679 C SER A 43 92.324 -4.479 -6.129 1.00 0.00 C ATOM 680 O SER A 43 93.029 -3.488 -6.135 1.00 0.00 O ATOM 681 CB SER A 43 90.733 -4.292 -8.067 1.00 0.00 C ATOM 682 OG SER A 43 89.358 -4.217 -8.423 1.00 0.00 O ATOM 0 H SER A 43 90.666 -2.283 -6.340 1.00 0.00 H new ATOM 0 HA SER A 43 90.366 -5.299 -6.167 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.262 -3.408 -8.423 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.198 -5.155 -8.544 1.00 0.00 H new ATOM 0 HG SER A 43 89.276 -4.145 -9.397 1.00 0.00 H new ATOM 688 N THR A 44 92.788 -5.651 -5.767 1.00 0.00 N ATOM 689 CA THR A 44 94.216 -5.808 -5.347 1.00 0.00 C ATOM 690 C THR A 44 94.869 -6.964 -6.113 1.00 0.00 C ATOM 691 O THR A 44 94.235 -7.966 -6.394 1.00 0.00 O ATOM 692 CB THR A 44 94.169 -6.101 -3.838 1.00 0.00 C ATOM 693 OG1 THR A 44 95.493 -6.265 -3.352 1.00 0.00 O ATOM 694 CG2 THR A 44 93.361 -7.376 -3.559 1.00 0.00 C ATOM 0 H THR A 44 92.237 -6.509 -5.744 1.00 0.00 H new ATOM 0 HA THR A 44 94.808 -4.918 -5.560 1.00 0.00 H new ATOM 0 HB THR A 44 93.686 -5.265 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.468 -6.450 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.340 -7.566 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.342 -7.249 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.826 -8.220 -4.068 1.00 0.00 H new ATOM 702 N LYS A 45 96.128 -6.829 -6.451 1.00 0.00 N ATOM 703 CA LYS A 45 96.819 -7.900 -7.231 1.00 0.00 C ATOM 704 C LYS A 45 98.277 -8.034 -6.785 1.00 0.00 C ATOM 705 O LYS A 45 98.938 -7.053 -6.495 1.00 0.00 O ATOM 706 CB LYS A 45 96.744 -7.441 -8.688 1.00 0.00 C ATOM 707 CG LYS A 45 95.337 -7.696 -9.229 1.00 0.00 C ATOM 708 CD LYS A 45 95.267 -7.263 -10.696 1.00 0.00 C ATOM 709 CE LYS A 45 95.948 -8.316 -11.573 1.00 0.00 C ATOM 710 NZ LYS A 45 96.399 -7.574 -12.783 1.00 0.00 N ATOM 0 H LYS A 45 96.707 -6.022 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 45 96.356 -8.876 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.986 -6.381 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.479 -7.977 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.087 -8.753 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.604 -7.144 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 94.228 -7.138 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.755 -6.297 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.790 -8.777 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 45 95.258 -9.118 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.877 -8.229 -13.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.576 -7.152 -13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 97.060 -6.822 -12.503 1.00 0.00 H new ATOM 724 N SER A 46 98.777 -9.244 -6.733 1.00 0.00 N ATOM 725 CA SER A 46 100.215 -9.458 -6.388 1.00 0.00 C ATOM 726 C SER A 46 100.977 -9.948 -7.622 1.00 0.00 C ATOM 727 O SER A 46 100.673 -10.991 -8.172 1.00 0.00 O ATOM 728 CB SER A 46 100.207 -10.531 -5.300 1.00 0.00 C ATOM 729 OG SER A 46 99.746 -11.757 -5.853 1.00 0.00 O ATOM 0 H SER A 46 98.247 -10.096 -6.916 1.00 0.00 H new ATOM 0 HA SER A 46 100.704 -8.544 -6.050 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.209 -10.658 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.562 -10.225 -4.476 1.00 0.00 H new ATOM 0 HG SER A 46 99.723 -11.687 -6.830 1.00 0.00 H new ATOM 735 N ILE A 47 101.964 -9.202 -8.059 1.00 0.00 N ATOM 736 CA ILE A 47 102.721 -9.591 -9.289 1.00 0.00 C ATOM 737 C ILE A 47 104.223 -9.559 -8.997 1.00 0.00 C ATOM 738 O ILE A 47 104.732 -8.604 -8.437 1.00 0.00 O ATOM 739 CB ILE A 47 102.347 -8.540 -10.349 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.831 -8.563 -10.594 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.069 -8.851 -11.666 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.426 -7.342 -11.423 1.00 0.00 C ATOM 0 H ILE A 47 102.278 -8.339 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 47 102.478 -10.598 -9.628 1.00 0.00 H new ATOM 0 HB ILE A 47 102.646 -7.555 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.551 -9.478 -11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.299 -8.562 -9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.801 -8.104 -12.413 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.147 -8.831 -11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.773 -9.839 -12.018 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.350 -7.360 -11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.692 -6.432 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.947 -7.363 -12.380 1.00 0.00 H new ATOM 754 N VAL A 48 104.933 -10.595 -9.371 1.00 0.00 N ATOM 755 CA VAL A 48 106.413 -10.610 -9.146 1.00 0.00 C ATOM 756 C VAL A 48 107.083 -9.640 -10.124 1.00 0.00 C ATOM 757 O VAL A 48 106.739 -9.586 -11.287 1.00 0.00 O ATOM 758 CB VAL A 48 106.873 -12.056 -9.406 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.365 -12.192 -9.066 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.052 -13.041 -8.550 1.00 0.00 C ATOM 0 H VAL A 48 104.554 -11.428 -9.821 1.00 0.00 H new ATOM 0 HA VAL A 48 106.679 -10.298 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 48 106.717 -12.292 -10.459 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.688 -13.216 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.944 -11.511 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.523 -11.946 -8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.388 -14.060 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.190 -12.808 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.996 -12.953 -8.806 1.00 0.00 H new ATOM 770 N THR A 49 108.035 -8.875 -9.655 1.00 0.00 N ATOM 771 CA THR A 49 108.632 -7.792 -10.506 1.00 0.00 C ATOM 772 C THR A 49 109.332 -8.373 -11.740 1.00 0.00 C ATOM 773 O THR A 49 109.481 -7.701 -12.744 1.00 0.00 O ATOM 774 CB THR A 49 109.640 -7.065 -9.609 1.00 0.00 C ATOM 775 OG1 THR A 49 110.589 -8.000 -9.116 1.00 0.00 O ATOM 776 CG2 THR A 49 108.910 -6.405 -8.436 1.00 0.00 C ATOM 0 H THR A 49 108.428 -8.951 -8.717 1.00 0.00 H new ATOM 0 HA THR A 49 107.861 -7.118 -10.880 1.00 0.00 H new ATOM 0 HB THR A 49 110.151 -6.296 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.210 -8.477 -8.348 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.632 -5.890 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.184 -5.687 -8.817 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.394 -7.168 -7.853 1.00 0.00 H new ATOM 784 N LYS A 50 109.764 -9.610 -11.677 1.00 0.00 N ATOM 785 CA LYS A 50 110.541 -10.199 -12.820 1.00 0.00 C ATOM 786 C LYS A 50 109.723 -10.156 -14.116 1.00 0.00 C ATOM 787 O LYS A 50 110.275 -10.147 -15.201 1.00 0.00 O ATOM 788 CB LYS A 50 110.837 -11.655 -12.422 1.00 0.00 C ATOM 789 CG LYS A 50 111.727 -11.702 -11.171 1.00 0.00 C ATOM 790 CD LYS A 50 111.870 -13.153 -10.704 1.00 0.00 C ATOM 791 CE LYS A 50 112.625 -13.188 -9.374 1.00 0.00 C ATOM 792 NZ LYS A 50 113.100 -14.594 -9.240 1.00 0.00 N ATOM 0 H LYS A 50 109.614 -10.238 -10.887 1.00 0.00 H new ATOM 0 HA LYS A 50 111.457 -9.637 -13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.903 -12.183 -12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.331 -12.170 -13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.708 -11.281 -11.393 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.291 -11.094 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.886 -13.608 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.405 -13.737 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.460 -12.487 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 111.976 -12.909 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.628 -14.699 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.283 -15.237 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 113.721 -14.828 -10.041 1.00 0.00 H new ATOM 806 N ASP A 51 108.414 -10.131 -14.013 1.00 0.00 N ATOM 807 CA ASP A 51 107.573 -9.995 -15.245 1.00 0.00 C ATOM 808 C ASP A 51 107.323 -8.514 -15.591 1.00 0.00 C ATOM 809 O ASP A 51 106.489 -8.209 -16.424 1.00 0.00 O ATOM 810 CB ASP A 51 106.254 -10.730 -14.946 1.00 0.00 C ATOM 811 CG ASP A 51 105.539 -10.118 -13.732 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.346 -8.913 -13.720 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.192 -10.870 -12.837 1.00 0.00 O ATOM 0 H ASP A 51 107.896 -10.198 -13.137 1.00 0.00 H new ATOM 0 HA ASP A 51 108.074 -10.425 -16.112 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.602 -10.681 -15.818 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.457 -11.784 -14.758 1.00 0.00 H new ATOM 818 N ILE A 52 108.031 -7.595 -14.964 1.00 0.00 N ATOM 819 CA ILE A 52 107.931 -6.157 -15.386 1.00 0.00 C ATOM 820 C ILE A 52 108.753 -5.934 -16.659 1.00 0.00 C ATOM 821 O ILE A 52 109.967 -6.026 -16.646 1.00 0.00 O ATOM 822 CB ILE A 52 108.506 -5.334 -14.217 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.625 -5.523 -12.972 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.553 -3.841 -14.599 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.282 -4.843 -11.763 1.00 0.00 C ATOM 0 H ILE A 52 108.666 -7.778 -14.187 1.00 0.00 H new ATOM 0 HA ILE A 52 106.904 -5.865 -15.605 1.00 0.00 H new ATOM 0 HB ILE A 52 109.517 -5.678 -14.000 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.636 -5.099 -13.147 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.485 -6.585 -12.772 1.00 0.00 H new ATOM 0 HG21 ILE A 52 108.961 -3.265 -13.768 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.186 -3.710 -15.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.545 -3.491 -14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.654 -4.980 -10.883 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.261 -5.288 -11.583 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.399 -3.778 -11.964 1.00 0.00 H new ATOM 837 N LYS A 53 108.096 -5.644 -17.755 1.00 0.00 N ATOM 838 CA LYS A 53 108.839 -5.237 -18.989 1.00 0.00 C ATOM 839 C LYS A 53 109.230 -3.758 -18.904 1.00 0.00 C ATOM 840 O LYS A 53 110.311 -3.374 -19.310 1.00 0.00 O ATOM 841 CB LYS A 53 107.872 -5.469 -20.150 1.00 0.00 C ATOM 842 CG LYS A 53 108.606 -5.267 -21.479 1.00 0.00 C ATOM 843 CD LYS A 53 107.668 -5.604 -22.639 1.00 0.00 C ATOM 844 CE LYS A 53 106.660 -4.469 -22.829 1.00 0.00 C ATOM 845 NZ LYS A 53 107.377 -3.451 -23.646 1.00 0.00 N ATOM 0 H LYS A 53 107.081 -5.671 -17.849 1.00 0.00 H new ATOM 0 HA LYS A 53 109.759 -5.807 -19.116 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.462 -6.478 -20.099 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.031 -4.779 -20.079 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.949 -4.236 -21.563 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.491 -5.902 -21.517 1.00 0.00 H new ATOM 0 HD2 LYS A 53 108.242 -5.751 -23.554 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.145 -6.539 -22.437 1.00 0.00 H new ATOM 0 HE2 LYS A 53 105.761 -4.820 -23.336 1.00 0.00 H new ATOM 0 HE3 LYS A 53 106.345 -4.056 -21.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.783 -3.172 -24.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.580 -2.616 -23.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.270 -3.853 -23.996 1.00 0.00 H new ATOM 859 N ASP A 54 108.357 -2.930 -18.377 1.00 0.00 N ATOM 860 CA ASP A 54 108.640 -1.453 -18.352 1.00 0.00 C ATOM 861 C ASP A 54 107.900 -0.778 -17.196 1.00 0.00 C ATOM 862 O ASP A 54 106.847 -1.222 -16.783 1.00 0.00 O ATOM 863 CB ASP A 54 108.126 -0.911 -19.688 1.00 0.00 C ATOM 864 CG ASP A 54 109.031 -1.391 -20.825 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.236 -1.242 -20.700 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.504 -1.896 -21.802 1.00 0.00 O ATOM 0 H ASP A 54 107.466 -3.208 -17.965 1.00 0.00 H new ATOM 0 HA ASP A 54 109.703 -1.256 -18.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.103 -1.248 -19.858 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.103 0.179 -19.664 1.00 0.00 H new ATOM 871 N LEU A 55 108.446 0.298 -16.675 1.00 0.00 N ATOM 872 CA LEU A 55 107.822 0.972 -15.493 1.00 0.00 C ATOM 873 C LEU A 55 107.670 2.477 -15.740 1.00 0.00 C ATOM 874 O LEU A 55 108.504 3.100 -16.371 1.00 0.00 O ATOM 875 CB LEU A 55 108.796 0.732 -14.338 1.00 0.00 C ATOM 876 CG LEU A 55 108.652 -0.702 -13.831 1.00 0.00 C ATOM 877 CD1 LEU A 55 109.959 -1.147 -13.171 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.518 -0.770 -12.805 1.00 0.00 C ATOM 0 H LEU A 55 109.299 0.738 -17.020 1.00 0.00 H new ATOM 0 HA LEU A 55 106.825 0.581 -15.289 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.819 0.909 -14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.597 1.435 -13.530 1.00 0.00 H new ATOM 0 HG LEU A 55 108.426 -1.360 -14.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 109.854 -2.170 -12.810 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.769 -1.100 -13.899 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.186 -0.488 -12.333 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.415 -1.793 -12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.745 -0.110 -11.968 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.585 -0.455 -13.272 1.00 0.00 H new ATOM 890 N ARG A 56 106.604 3.060 -15.243 1.00 0.00 N ATOM 891 CA ARG A 56 106.455 4.548 -15.292 1.00 0.00 C ATOM 892 C ARG A 56 105.663 5.036 -14.071 1.00 0.00 C ATOM 893 O ARG A 56 104.943 4.275 -13.449 1.00 0.00 O ATOM 894 CB ARG A 56 105.696 4.841 -16.597 1.00 0.00 C ATOM 895 CG ARG A 56 104.292 4.222 -16.551 1.00 0.00 C ATOM 896 CD ARG A 56 103.540 4.553 -17.842 1.00 0.00 C ATOM 897 NE ARG A 56 104.220 3.761 -18.918 1.00 0.00 N ATOM 898 CZ ARG A 56 103.650 3.566 -20.092 1.00 0.00 C ATOM 899 NH1 ARG A 56 102.465 4.056 -20.372 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.280 2.868 -20.997 1.00 0.00 N ATOM 0 H ARG A 56 105.828 2.565 -14.804 1.00 0.00 H new ATOM 0 HA ARG A 56 107.416 5.061 -15.270 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.621 5.918 -16.747 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.250 4.439 -17.445 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.364 3.141 -16.428 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.743 4.605 -15.691 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.487 4.283 -17.763 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.580 5.621 -18.056 1.00 0.00 H new ATOM 0 HE ARG A 56 105.143 3.365 -18.739 1.00 0.00 H new ATOM 0 HH11 ARG A 56 101.961 4.603 -19.674 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.048 3.890 -21.288 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.201 2.481 -20.793 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.851 2.709 -21.909 1.00 0.00 H new ATOM 914 N ILE A 57 105.793 6.293 -13.728 1.00 0.00 N ATOM 915 CA ILE A 57 104.967 6.863 -12.617 1.00 0.00 C ATOM 916 C ILE A 57 103.991 7.897 -13.190 1.00 0.00 C ATOM 917 O ILE A 57 104.380 8.783 -13.930 1.00 0.00 O ATOM 918 CB ILE A 57 105.967 7.523 -11.652 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.972 6.476 -11.146 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.213 8.111 -10.453 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.104 7.168 -10.381 1.00 0.00 C ATOM 0 H ILE A 57 106.436 6.951 -14.169 1.00 0.00 H new ATOM 0 HA ILE A 57 104.374 6.105 -12.105 1.00 0.00 H new ATOM 0 HB ILE A 57 106.499 8.315 -12.179 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.468 5.759 -10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.380 5.914 -11.986 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.923 8.578 -9.770 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.500 8.858 -10.802 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.679 7.315 -9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.813 6.420 -10.025 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.616 7.867 -11.042 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.690 7.710 -9.530 1.00 0.00 H new ATOM 933 N LEU A 58 102.729 7.789 -12.852 1.00 0.00 N ATOM 934 CA LEU A 58 101.703 8.699 -13.457 1.00 0.00 C ATOM 935 C LEU A 58 101.772 10.087 -12.801 1.00 0.00 C ATOM 936 O LEU A 58 102.215 10.206 -11.675 1.00 0.00 O ATOM 937 CB LEU A 58 100.346 8.040 -13.179 1.00 0.00 C ATOM 938 CG LEU A 58 100.272 6.675 -13.874 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.003 5.945 -13.428 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.240 6.867 -15.393 1.00 0.00 C ATOM 0 H LEU A 58 102.364 7.111 -12.184 1.00 0.00 H new ATOM 0 HA LEU A 58 101.867 8.840 -14.525 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.205 7.918 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.541 8.683 -13.535 1.00 0.00 H new ATOM 0 HG LEU A 58 101.149 6.086 -13.604 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.949 4.975 -13.921 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.026 5.802 -12.348 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.129 6.538 -13.697 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.187 5.894 -15.882 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.366 7.458 -15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.144 7.386 -15.713 1.00 0.00 H new ATOM 952 N PRO A 59 101.331 11.104 -13.525 1.00 0.00 N ATOM 953 CA PRO A 59 101.348 12.490 -12.979 1.00 0.00 C ATOM 954 C PRO A 59 100.463 12.594 -11.730 1.00 0.00 C ATOM 955 O PRO A 59 99.412 11.985 -11.654 1.00 0.00 O ATOM 956 CB PRO A 59 100.788 13.353 -14.116 1.00 0.00 C ATOM 957 CG PRO A 59 100.843 12.498 -15.342 1.00 0.00 C ATOM 958 CD PRO A 59 100.785 11.065 -14.890 1.00 0.00 C ATOM 0 HA PRO A 59 102.346 12.804 -12.671 1.00 0.00 H new ATOM 0 HB2 PRO A 59 99.766 13.665 -13.903 1.00 0.00 H new ATOM 0 HB3 PRO A 59 101.378 14.260 -14.245 1.00 0.00 H new ATOM 0 HG2 PRO A 59 100.010 12.725 -16.007 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.759 12.688 -15.902 1.00 0.00 H new ATOM 0 HD2 PRO A 59 99.764 10.683 -14.901 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.375 10.417 -15.538 1.00 0.00 H new ATOM 966 N LYS A 60 100.884 13.365 -10.756 1.00 0.00 N ATOM 967 CA LYS A 60 100.078 13.520 -9.507 1.00 0.00 C ATOM 968 C LYS A 60 99.256 14.812 -9.560 1.00 0.00 C ATOM 969 O LYS A 60 98.039 14.779 -9.599 1.00 0.00 O ATOM 970 CB LYS A 60 101.107 13.580 -8.375 1.00 0.00 C ATOM 971 CG LYS A 60 101.792 12.220 -8.234 1.00 0.00 C ATOM 972 CD LYS A 60 102.857 12.296 -7.137 1.00 0.00 C ATOM 973 CE LYS A 60 102.181 12.271 -5.763 1.00 0.00 C ATOM 974 NZ LYS A 60 103.134 12.966 -4.854 1.00 0.00 N ATOM 0 H LYS A 60 101.755 13.895 -10.774 1.00 0.00 H new ATOM 0 HA LYS A 60 99.370 12.703 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 60 101.848 14.352 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 60 100.618 13.851 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 60 101.056 11.454 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 60 102.249 11.931 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 60 103.549 11.458 -7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 60 103.444 13.208 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 60 101.217 12.779 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 60 101.994 11.249 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 102.741 12.990 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 104.040 12.456 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 103.287 13.939 -5.189 1.00 0.00 H new ATOM 988 N ASN A 61 99.914 15.947 -9.561 1.00 0.00 N ATOM 989 CA ASN A 61 99.176 17.253 -9.559 1.00 0.00 C ATOM 990 C ASN A 61 98.706 17.619 -10.975 1.00 0.00 C ATOM 991 O ASN A 61 97.722 18.318 -11.143 1.00 0.00 O ATOM 992 CB ASN A 61 100.177 18.294 -9.024 1.00 0.00 C ATOM 993 CG ASN A 61 101.405 18.385 -9.940 1.00 0.00 C ATOM 994 OD1 ASN A 61 101.297 18.777 -11.084 1.00 0.00 O ATOM 995 ND2 ASN A 61 102.575 18.035 -9.478 1.00 0.00 N ATOM 0 H ASN A 61 100.931 16.027 -9.563 1.00 0.00 H new ATOM 0 HA ASN A 61 98.279 17.206 -8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 61 99.694 19.269 -8.956 1.00 0.00 H new ATOM 0 HB3 ASN A 61 100.488 18.022 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 61 103.398 18.091 -10.078 1.00 0.00 H new ATOM 0 HD22 ASN A 61 102.666 17.706 -8.517 1.00 0.00 H new ATOM 1002 N GLU A 62 99.398 17.154 -11.989 1.00 0.00 N ATOM 1003 CA GLU A 62 99.010 17.499 -13.399 1.00 0.00 C ATOM 1004 C GLU A 62 97.608 16.964 -13.719 1.00 0.00 C ATOM 1005 O GLU A 62 96.878 17.549 -14.500 1.00 0.00 O ATOM 1006 CB GLU A 62 100.057 16.820 -14.287 1.00 0.00 C ATOM 1007 CG GLU A 62 99.888 17.293 -15.734 1.00 0.00 C ATOM 1008 CD GLU A 62 100.844 16.517 -16.644 1.00 0.00 C ATOM 1009 OE1 GLU A 62 100.953 15.315 -16.470 1.00 0.00 O ATOM 1010 OE2 GLU A 62 101.451 17.141 -17.499 1.00 0.00 O ATOM 0 H GLU A 62 100.215 16.550 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 62 98.980 18.577 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 62 101.060 17.057 -13.931 1.00 0.00 H new ATOM 0 HB3 GLU A 62 99.947 15.737 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 62 98.858 17.142 -16.058 1.00 0.00 H new ATOM 0 HG3 GLU A 62 100.091 18.362 -15.804 1.00 0.00 H new ATOM 1017 N ILE A 63 97.230 15.860 -13.121 1.00 0.00 N ATOM 1018 CA ILE A 63 95.872 15.285 -13.376 1.00 0.00 C ATOM 1019 C ILE A 63 94.955 15.582 -12.183 1.00 0.00 C ATOM 1020 O ILE A 63 95.340 15.416 -11.039 1.00 0.00 O ATOM 1021 CB ILE A 63 96.092 13.770 -13.537 1.00 0.00 C ATOM 1022 CG1 ILE A 63 97.044 13.504 -14.712 1.00 0.00 C ATOM 1023 CG2 ILE A 63 94.752 13.076 -13.813 1.00 0.00 C ATOM 1024 CD1 ILE A 63 97.489 12.039 -14.690 1.00 0.00 C ATOM 0 H ILE A 63 97.805 15.331 -12.465 1.00 0.00 H new ATOM 0 HA ILE A 63 95.398 15.711 -14.260 1.00 0.00 H new ATOM 0 HB ILE A 63 96.526 13.378 -12.617 1.00 0.00 H new ATOM 0 HG12 ILE A 63 96.546 13.729 -15.655 1.00 0.00 H new ATOM 0 HG13 ILE A 63 97.912 14.160 -14.645 1.00 0.00 H new ATOM 0 HG21 ILE A 63 94.914 12.004 -13.926 1.00 0.00 H new ATOM 0 HG22 ILE A 63 94.072 13.254 -12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 63 94.317 13.476 -14.729 1.00 0.00 H new ATOM 0 HD11 ILE A 63 98.165 11.851 -15.524 1.00 0.00 H new ATOM 0 HD12 ILE A 63 98.003 11.829 -13.752 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.616 11.392 -14.778 1.00 0.00 H new ATOM 1036 N MET A 64 93.747 16.019 -12.447 1.00 0.00 N ATOM 1037 CA MET A 64 92.803 16.354 -11.338 1.00 0.00 C ATOM 1038 C MET A 64 91.788 15.211 -11.142 1.00 0.00 C ATOM 1039 O MET A 64 91.019 14.927 -12.041 1.00 0.00 O ATOM 1040 CB MET A 64 92.090 17.624 -11.804 1.00 0.00 C ATOM 1041 CG MET A 64 91.585 18.402 -10.588 1.00 0.00 C ATOM 1042 SD MET A 64 90.854 19.966 -11.132 1.00 0.00 S ATOM 1043 CE MET A 64 89.275 19.291 -11.703 1.00 0.00 C ATOM 0 H MET A 64 93.374 16.158 -13.386 1.00 0.00 H new ATOM 0 HA MET A 64 93.314 16.494 -10.385 1.00 0.00 H new ATOM 0 HB2 MET A 64 92.772 18.243 -12.387 1.00 0.00 H new ATOM 0 HB3 MET A 64 91.256 17.367 -12.456 1.00 0.00 H new ATOM 0 HG2 MET A 64 90.846 17.812 -10.047 1.00 0.00 H new ATOM 0 HG3 MET A 64 92.407 18.593 -9.898 1.00 0.00 H new ATOM 0 HE1 MET A 64 89.134 19.537 -12.756 1.00 0.00 H new ATOM 0 HE2 MET A 64 89.277 18.208 -11.580 1.00 0.00 H new ATOM 0 HE3 MET A 64 88.462 19.721 -11.118 1.00 0.00 H new ATOM 1053 N PRO A 65 91.807 14.584 -9.975 1.00 0.00 N ATOM 1054 CA PRO A 65 90.840 13.488 -9.688 1.00 0.00 C ATOM 1055 C PRO A 65 89.401 14.024 -9.688 1.00 0.00 C ATOM 1056 O PRO A 65 89.146 15.134 -9.259 1.00 0.00 O ATOM 1057 CB PRO A 65 91.234 12.986 -8.293 1.00 0.00 C ATOM 1058 CG PRO A 65 92.589 13.562 -8.022 1.00 0.00 C ATOM 1059 CD PRO A 65 92.706 14.820 -8.835 1.00 0.00 C ATOM 0 HA PRO A 65 90.872 12.697 -10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 65 90.513 13.311 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 65 91.258 11.897 -8.261 1.00 0.00 H new ATOM 0 HG2 PRO A 65 92.711 13.777 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 65 93.370 12.853 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 65 92.404 15.697 -8.262 1.00 0.00 H new ATOM 0 HD3 PRO A 65 93.731 14.991 -9.163 1.00 0.00 H new ATOM 1067 N LYS A 66 88.466 13.239 -10.168 1.00 0.00 N ATOM 1068 CA LYS A 66 87.034 13.688 -10.192 1.00 0.00 C ATOM 1069 C LYS A 66 86.505 13.865 -8.765 1.00 0.00 C ATOM 1070 O LYS A 66 85.683 14.724 -8.502 1.00 0.00 O ATOM 1071 CB LYS A 66 86.268 12.574 -10.912 1.00 0.00 C ATOM 1072 CG LYS A 66 86.711 12.510 -12.374 1.00 0.00 C ATOM 1073 CD LYS A 66 85.858 11.483 -13.122 1.00 0.00 C ATOM 1074 CE LYS A 66 86.373 11.335 -14.556 1.00 0.00 C ATOM 1075 NZ LYS A 66 85.195 10.876 -15.342 1.00 0.00 N ATOM 0 H LYS A 66 88.631 12.306 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 66 86.919 14.648 -10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.452 11.617 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 66 85.196 12.760 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.609 13.491 -12.839 1.00 0.00 H new ATOM 0 HG3 LYS A 66 87.764 12.236 -12.434 1.00 0.00 H new ATOM 0 HD2 LYS A 66 85.896 10.521 -12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 66 84.815 11.799 -13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 66 86.758 12.281 -14.937 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.189 10.614 -14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 85.469 10.752 -16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 84.855 9.970 -14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.437 11.585 -15.278 1.00 0.00 H new ATOM 1089 N ASN A 67 86.972 13.056 -7.844 1.00 0.00 N ATOM 1090 CA ASN A 67 86.500 13.159 -6.428 1.00 0.00 C ATOM 1091 C ASN A 67 87.683 13.045 -5.459 1.00 0.00 C ATOM 1092 O ASN A 67 88.830 13.035 -5.868 1.00 0.00 O ATOM 1093 CB ASN A 67 85.512 11.993 -6.244 1.00 0.00 C ATOM 1094 CG ASN A 67 86.217 10.640 -6.440 1.00 0.00 C ATOM 1095 OD1 ASN A 67 87.274 10.566 -7.040 1.00 0.00 O ATOM 1096 ND2 ASN A 67 85.670 9.560 -5.954 1.00 0.00 N ATOM 0 H ASN A 67 87.663 12.325 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 67 86.026 14.118 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 67 85.072 12.037 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 67 84.694 12.088 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 67 86.128 8.657 -6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 67 84.785 9.619 -5.451 1.00 0.00 H new ATOM 1103 N GLY A 68 87.407 12.958 -4.180 1.00 0.00 N ATOM 1104 CA GLY A 68 88.504 12.851 -3.172 1.00 0.00 C ATOM 1105 C GLY A 68 88.891 14.248 -2.686 1.00 0.00 C ATOM 1106 O GLY A 68 88.174 15.209 -2.902 1.00 0.00 O ATOM 0 H GLY A 68 86.464 12.957 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 68 88.180 12.239 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 68 89.369 12.355 -3.612 1.00 0.00 H new ATOM 1110 N THR A 69 90.020 14.368 -2.030 1.00 0.00 N ATOM 1111 CA THR A 69 90.462 15.698 -1.510 1.00 0.00 C ATOM 1112 C THR A 69 91.772 16.120 -2.182 1.00 0.00 C ATOM 1113 O THR A 69 92.654 15.310 -2.400 1.00 0.00 O ATOM 1114 CB THR A 69 90.671 15.486 -0.009 1.00 0.00 C ATOM 1115 OG1 THR A 69 89.516 14.873 0.545 1.00 0.00 O ATOM 1116 CG2 THR A 69 90.911 16.836 0.672 1.00 0.00 C ATOM 0 H THR A 69 90.657 13.597 -1.832 1.00 0.00 H new ATOM 0 HA THR A 69 89.735 16.484 -1.713 1.00 0.00 H new ATOM 0 HB THR A 69 91.537 14.843 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 69 89.648 14.735 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 69 91.060 16.683 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 69 91.797 17.306 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 69 90.047 17.482 0.515 1.00 0.00 H new ATOM 1124 N LYS A 70 91.899 17.384 -2.511 1.00 0.00 N ATOM 1125 CA LYS A 70 93.146 17.873 -3.178 1.00 0.00 C ATOM 1126 C LYS A 70 94.048 18.575 -2.160 1.00 0.00 C ATOM 1127 O LYS A 70 93.577 19.274 -1.281 1.00 0.00 O ATOM 1128 CB LYS A 70 92.666 18.864 -4.239 1.00 0.00 C ATOM 1129 CG LYS A 70 91.868 18.122 -5.315 1.00 0.00 C ATOM 1130 CD LYS A 70 91.451 19.105 -6.411 1.00 0.00 C ATOM 1131 CE LYS A 70 90.515 18.403 -7.398 1.00 0.00 C ATOM 1132 NZ LYS A 70 89.175 18.436 -6.747 1.00 0.00 N ATOM 0 H LYS A 70 91.191 18.099 -2.345 1.00 0.00 H new ATOM 0 HA LYS A 70 93.728 17.060 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 70 92.046 19.633 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 70 93.519 19.371 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 92.471 17.320 -5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 70 90.986 17.658 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 70 90.951 19.967 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 70 92.332 19.480 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 70 90.499 18.915 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 70 90.837 17.379 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 88.724 17.503 -6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 89.284 18.677 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 88.581 19.152 -7.212 1.00 0.00 H new ATOM 1146 N SER A 71 95.342 18.393 -2.274 1.00 0.00 N ATOM 1147 CA SER A 71 96.288 19.062 -1.330 1.00 0.00 C ATOM 1148 C SER A 71 97.564 19.493 -2.072 1.00 0.00 C ATOM 1149 O SER A 71 97.928 18.881 -3.059 1.00 0.00 O ATOM 1150 CB SER A 71 96.611 18.004 -0.278 1.00 0.00 C ATOM 1151 OG SER A 71 95.419 17.644 0.409 1.00 0.00 O ATOM 0 H SER A 71 95.784 17.808 -2.983 1.00 0.00 H new ATOM 0 HA SER A 71 95.861 19.961 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 97.050 17.126 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 71 97.348 18.389 0.427 1.00 0.00 H new ATOM 0 HG SER A 71 95.623 16.964 1.084 1.00 0.00 H new ATOM 1157 N PRO A 72 98.209 20.534 -1.578 1.00 0.00 N ATOM 1158 CA PRO A 72 99.457 21.025 -2.222 1.00 0.00 C ATOM 1159 C PRO A 72 100.593 20.016 -2.017 1.00 0.00 C ATOM 1160 O PRO A 72 100.671 19.360 -0.995 1.00 0.00 O ATOM 1161 CB PRO A 72 99.755 22.338 -1.497 1.00 0.00 C ATOM 1162 CG PRO A 72 99.038 22.239 -0.189 1.00 0.00 C ATOM 1163 CD PRO A 72 97.849 21.340 -0.399 1.00 0.00 C ATOM 0 HA PRO A 72 99.357 21.159 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 72 100.827 22.471 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 72 99.404 23.194 -2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 72 99.695 21.834 0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 72 98.720 23.225 0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 72 97.666 20.711 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 72 96.940 21.916 -0.573 1.00 0.00 H new ATOM 1171 N SER A 73 101.471 19.893 -2.983 1.00 0.00 N ATOM 1172 CA SER A 73 102.623 18.950 -2.847 1.00 0.00 C ATOM 1173 C SER A 73 103.928 19.647 -3.242 1.00 0.00 C ATOM 1174 O SER A 73 104.026 20.241 -4.300 1.00 0.00 O ATOM 1175 CB SER A 73 102.314 17.807 -3.814 1.00 0.00 C ATOM 1176 OG SER A 73 103.302 16.795 -3.678 1.00 0.00 O ATOM 0 H SER A 73 101.438 20.408 -3.863 1.00 0.00 H new ATOM 0 HA SER A 73 102.749 18.597 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 73 101.326 17.397 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 73 102.296 18.178 -4.839 1.00 0.00 H new ATOM 0 HG SER A 73 103.105 16.060 -4.296 1.00 0.00 H new ATOM 1182 N THR A 74 104.927 19.577 -2.396 1.00 0.00 N ATOM 1183 CA THR A 74 106.239 20.224 -2.714 1.00 0.00 C ATOM 1184 C THR A 74 107.392 19.414 -2.111 1.00 0.00 C ATOM 1185 O THR A 74 108.418 19.962 -1.748 1.00 0.00 O ATOM 1186 CB THR A 74 106.169 21.615 -2.074 1.00 0.00 C ATOM 1187 OG1 THR A 74 105.862 21.488 -0.690 1.00 0.00 O ATOM 1188 CG2 THR A 74 105.091 22.451 -2.770 1.00 0.00 C ATOM 0 H THR A 74 104.890 19.098 -1.496 1.00 0.00 H new ATOM 0 HA THR A 74 106.417 20.280 -3.788 1.00 0.00 H new ATOM 0 HB THR A 74 107.133 22.112 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 74 105.819 22.378 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 74 105.045 23.439 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 74 105.335 22.552 -3.827 1.00 0.00 H new ATOM 0 HG23 THR A 74 104.125 21.957 -2.667 1.00 0.00 H new ATOM 1196 N ASN A 75 107.232 18.116 -2.005 1.00 0.00 N ATOM 1197 CA ASN A 75 108.305 17.264 -1.405 1.00 0.00 C ATOM 1198 C ASN A 75 108.788 16.224 -2.421 1.00 0.00 C ATOM 1199 O ASN A 75 109.156 15.120 -2.062 1.00 0.00 O ATOM 1200 CB ASN A 75 107.643 16.578 -0.208 1.00 0.00 C ATOM 1201 CG ASN A 75 107.307 17.620 0.861 1.00 0.00 C ATOM 1202 OD1 ASN A 75 108.051 18.558 1.070 1.00 0.00 O ATOM 1203 ND2 ASN A 75 106.207 17.496 1.553 1.00 0.00 N ATOM 0 H ASN A 75 106.401 17.609 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 75 109.178 17.847 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 75 106.736 16.064 -0.527 1.00 0.00 H new ATOM 0 HB3 ASN A 75 108.310 15.821 0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 75 105.973 18.186 2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 75 105.581 16.710 1.379 1.00 0.00 H new ATOM 1210 N SER A 76 108.791 16.572 -3.686 1.00 0.00 N ATOM 1211 CA SER A 76 109.246 15.610 -4.737 1.00 0.00 C ATOM 1212 C SER A 76 110.588 16.063 -5.322 1.00 0.00 C ATOM 1213 O SER A 76 110.875 17.244 -5.392 1.00 0.00 O ATOM 1214 CB SER A 76 108.156 15.646 -5.806 1.00 0.00 C ATOM 1215 OG SER A 76 108.126 16.935 -6.402 1.00 0.00 O ATOM 0 H SER A 76 108.497 17.484 -4.036 1.00 0.00 H new ATOM 0 HA SER A 76 109.394 14.605 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 76 108.349 14.887 -6.564 1.00 0.00 H new ATOM 0 HB3 SER A 76 107.188 15.415 -5.362 1.00 0.00 H new ATOM 0 HG SER A 76 107.429 16.961 -7.090 1.00 0.00 H new ATOM 1221 N THR A 77 111.407 15.128 -5.740 1.00 0.00 N ATOM 1222 CA THR A 77 112.737 15.487 -6.321 1.00 0.00 C ATOM 1223 C THR A 77 112.899 14.851 -7.706 1.00 0.00 C ATOM 1224 O THR A 77 112.521 13.715 -7.921 1.00 0.00 O ATOM 1225 CB THR A 77 113.764 14.913 -5.342 1.00 0.00 C ATOM 1226 OG1 THR A 77 113.445 15.336 -4.024 1.00 0.00 O ATOM 1227 CG2 THR A 77 115.162 15.410 -5.715 1.00 0.00 C ATOM 0 H THR A 77 111.210 14.128 -5.703 1.00 0.00 H new ATOM 0 HA THR A 77 112.855 16.563 -6.451 1.00 0.00 H new ATOM 0 HB THR A 77 113.744 13.824 -5.390 1.00 0.00 H new ATOM 0 HG1 THR A 77 114.100 14.968 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 77 115.892 15.000 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 77 115.406 15.086 -6.727 1.00 0.00 H new ATOM 0 HG23 THR A 77 115.186 16.499 -5.668 1.00 0.00 H new ATOM 1235 N LYS A 78 113.458 15.581 -8.640 1.00 0.00 N ATOM 1236 CA LYS A 78 113.662 15.028 -10.016 1.00 0.00 C ATOM 1237 C LYS A 78 115.150 15.035 -10.373 1.00 0.00 C ATOM 1238 O LYS A 78 115.886 15.922 -9.977 1.00 0.00 O ATOM 1239 CB LYS A 78 112.885 15.968 -10.941 1.00 0.00 C ATOM 1240 CG LYS A 78 111.387 15.847 -10.658 1.00 0.00 C ATOM 1241 CD LYS A 78 110.607 16.708 -11.654 1.00 0.00 C ATOM 1242 CE LYS A 78 109.121 16.692 -11.290 1.00 0.00 C ATOM 1243 NZ LYS A 78 108.581 17.973 -11.824 1.00 0.00 N ATOM 0 H LYS A 78 113.783 16.539 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 78 113.319 13.997 -10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 78 113.212 16.997 -10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 78 113.089 15.720 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 78 111.074 14.806 -10.738 1.00 0.00 H new ATOM 0 HG3 LYS A 78 111.172 16.167 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 78 110.984 17.730 -11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 78 110.748 16.330 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 78 108.615 15.835 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 78 108.979 16.623 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 107.565 18.036 -11.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 109.077 18.771 -11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 108.724 18.008 -12.854 1.00 0.00 H new ATOM 1257 N LEU A 79 115.596 14.052 -11.117 1.00 0.00 N ATOM 1258 CA LEU A 79 117.037 13.995 -11.513 1.00 0.00 C ATOM 1259 C LEU A 79 117.215 14.562 -12.925 1.00 0.00 C ATOM 1260 O LEU A 79 116.678 14.037 -13.884 1.00 0.00 O ATOM 1261 CB LEU A 79 117.399 12.501 -11.477 1.00 0.00 C ATOM 1262 CG LEU A 79 118.896 12.299 -11.173 1.00 0.00 C ATOM 1263 CD1 LEU A 79 119.757 13.009 -12.225 1.00 0.00 C ATOM 1264 CD2 LEU A 79 119.227 12.856 -9.783 1.00 0.00 C ATOM 0 H LEU A 79 115.022 13.285 -11.468 1.00 0.00 H new ATOM 0 HA LEU A 79 117.675 14.582 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 79 116.800 11.997 -10.719 1.00 0.00 H new ATOM 0 HB3 LEU A 79 117.154 12.041 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 79 119.113 11.231 -11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 120.812 12.856 -11.995 1.00 0.00 H new ATOM 0 HD12 LEU A 79 119.537 12.600 -13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 79 119.535 14.076 -12.217 1.00 0.00 H new ATOM 0 HD21 LEU A 79 120.287 12.710 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 79 118.995 13.921 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 79 118.635 12.334 -9.031 1.00 0.00 H new ATOM 1276 N LYS A 80 117.965 15.630 -13.054 1.00 0.00 N ATOM 1277 CA LYS A 80 118.188 16.243 -14.400 1.00 0.00 C ATOM 1278 C LYS A 80 119.643 16.697 -14.538 1.00 0.00 C ATOM 1279 O LYS A 80 120.332 16.907 -13.557 1.00 0.00 O ATOM 1280 CB LYS A 80 117.243 17.445 -14.451 1.00 0.00 C ATOM 1281 CG LYS A 80 115.792 16.958 -14.454 1.00 0.00 C ATOM 1282 CD LYS A 80 114.852 18.152 -14.624 1.00 0.00 C ATOM 1283 CE LYS A 80 113.400 17.680 -14.515 1.00 0.00 C ATOM 1284 NZ LYS A 80 112.605 18.712 -15.237 1.00 0.00 N ATOM 0 H LYS A 80 118.433 16.104 -12.282 1.00 0.00 H new ATOM 0 HA LYS A 80 117.996 15.541 -15.211 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.417 18.094 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.440 18.038 -15.344 1.00 0.00 H new ATOM 0 HG2 LYS A 80 115.639 16.244 -15.263 1.00 0.00 H new ATOM 0 HG3 LYS A 80 115.570 16.437 -13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 80 115.059 18.903 -13.862 1.00 0.00 H new ATOM 0 HD3 LYS A 80 115.020 18.625 -15.591 1.00 0.00 H new ATOM 0 HE2 LYS A 80 113.270 16.696 -14.965 1.00 0.00 H new ATOM 0 HE3 LYS A 80 113.088 17.599 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 111.597 18.458 -15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 112.743 19.637 -14.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 112.919 18.762 -16.227 1.00 0.00 H new ATOM 1298 N SER A 81 120.114 16.849 -15.755 1.00 0.00 N ATOM 1299 CA SER A 81 121.527 17.306 -15.974 1.00 0.00 C ATOM 1300 C SER A 81 121.721 18.724 -15.423 1.00 0.00 C ATOM 1301 O SER A 81 122.787 19.071 -14.945 1.00 0.00 O ATOM 1302 CB SER A 81 121.731 17.292 -17.490 1.00 0.00 C ATOM 1303 OG SER A 81 123.092 17.577 -17.784 1.00 0.00 O ATOM 0 H SER A 81 119.581 16.676 -16.607 1.00 0.00 H new ATOM 0 HA SER A 81 122.244 16.663 -15.463 1.00 0.00 H new ATOM 0 HB2 SER A 81 121.455 16.319 -17.896 1.00 0.00 H new ATOM 0 HB3 SER A 81 121.083 18.030 -17.962 1.00 0.00 H new ATOM 0 HG SER A 81 123.226 17.567 -18.755 1.00 0.00 H new ATOM 1309 N ALA A 82 120.697 19.541 -15.487 1.00 0.00 N ATOM 1310 CA ALA A 82 120.805 20.939 -14.953 1.00 0.00 C ATOM 1311 C ALA A 82 120.966 20.916 -13.430 1.00 0.00 C ATOM 1312 O ALA A 82 121.628 21.762 -12.856 1.00 0.00 O ATOM 1313 CB ALA A 82 119.493 21.627 -15.340 1.00 0.00 C ATOM 0 H ALA A 82 119.789 19.301 -15.886 1.00 0.00 H new ATOM 0 HA ALA A 82 121.671 21.462 -15.359 1.00 0.00 H new ATOM 0 HB1 ALA A 82 119.502 22.656 -14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 82 119.386 21.622 -16.425 1.00 0.00 H new ATOM 0 HB3 ALA A 82 118.656 21.093 -14.891 1.00 0.00 H new ATOM 1319 N GLU A 83 120.366 19.951 -12.774 1.00 0.00 N ATOM 1320 CA GLU A 83 120.486 19.854 -11.287 1.00 0.00 C ATOM 1321 C GLU A 83 121.542 18.811 -10.911 1.00 0.00 C ATOM 1322 O GLU A 83 121.779 17.874 -11.647 1.00 0.00 O ATOM 1323 CB GLU A 83 119.102 19.417 -10.802 1.00 0.00 C ATOM 1324 CG GLU A 83 118.086 20.529 -11.072 1.00 0.00 C ATOM 1325 CD GLU A 83 116.723 20.125 -10.508 1.00 0.00 C ATOM 1326 OE1 GLU A 83 116.072 19.294 -11.122 1.00 0.00 O ATOM 1327 OE2 GLU A 83 116.352 20.652 -9.472 1.00 0.00 O ATOM 0 H GLU A 83 119.797 19.224 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 83 120.794 20.797 -10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 83 118.799 18.503 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 83 119.134 19.191 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 83 118.420 21.460 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 83 118.008 20.712 -12.144 1.00 0.00 H new ATOM 1334 N THR A 84 122.173 18.980 -9.765 1.00 0.00 N ATOM 1335 CA THR A 84 123.224 18.010 -9.280 1.00 0.00 C ATOM 1336 C THR A 84 124.194 17.613 -10.407 1.00 0.00 C ATOM 1337 O THR A 84 124.042 16.579 -11.033 1.00 0.00 O ATOM 1338 CB THR A 84 122.455 16.786 -8.759 1.00 0.00 C ATOM 1339 OG1 THR A 84 121.638 16.249 -9.789 1.00 0.00 O ATOM 1340 CG2 THR A 84 121.579 17.195 -7.571 1.00 0.00 C ATOM 0 H THR A 84 122.002 19.762 -9.133 1.00 0.00 H new ATOM 0 HA THR A 84 123.841 18.459 -8.502 1.00 0.00 H new ATOM 0 HB THR A 84 123.170 16.028 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 84 122.055 16.418 -10.659 1.00 0.00 H new ATOM 0 HG21 THR A 84 121.035 16.325 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 84 122.208 17.592 -6.775 1.00 0.00 H new ATOM 0 HG23 THR A 84 120.870 17.959 -7.888 1.00 0.00 H new ATOM 1348 N TYR A 85 125.186 18.432 -10.661 1.00 0.00 N ATOM 1349 CA TYR A 85 126.165 18.125 -11.755 1.00 0.00 C ATOM 1350 C TYR A 85 126.979 16.874 -11.408 1.00 0.00 C ATOM 1351 O TYR A 85 127.265 16.055 -12.262 1.00 0.00 O ATOM 1352 CB TYR A 85 127.081 19.350 -11.840 1.00 0.00 C ATOM 1353 CG TYR A 85 128.083 19.277 -12.968 1.00 0.00 C ATOM 1354 CD1 TYR A 85 129.356 18.695 -12.746 1.00 0.00 C ATOM 1355 CD2 TYR A 85 127.751 19.789 -14.245 1.00 0.00 C ATOM 1356 CE1 TYR A 85 130.295 18.626 -13.804 1.00 0.00 C ATOM 1357 CE2 TYR A 85 128.691 19.721 -15.301 1.00 0.00 C ATOM 1358 CZ TYR A 85 129.964 19.139 -15.081 1.00 0.00 C ATOM 1359 OH TYR A 85 130.879 19.072 -16.110 1.00 0.00 O ATOM 0 H TYR A 85 125.361 19.302 -10.158 1.00 0.00 H new ATOM 0 HA TYR A 85 125.664 17.927 -12.702 1.00 0.00 H new ATOM 0 HB2 TYR A 85 126.469 20.243 -11.966 1.00 0.00 H new ATOM 0 HB3 TYR A 85 127.616 19.460 -10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 85 129.610 18.305 -11.771 1.00 0.00 H new ATOM 0 HD2 TYR A 85 126.780 20.232 -14.414 1.00 0.00 H new ATOM 0 HE1 TYR A 85 131.265 18.181 -13.636 1.00 0.00 H new ATOM 0 HE2 TYR A 85 128.438 20.113 -16.275 1.00 0.00 H new ATOM 0 HH TYR A 85 130.492 19.468 -16.919 1.00 0.00 H new ATOM 1369 N SER A 86 127.350 16.724 -10.159 1.00 0.00 N ATOM 1370 CA SER A 86 128.169 15.542 -9.747 1.00 0.00 C ATOM 1371 C SER A 86 127.379 14.659 -8.777 1.00 0.00 C ATOM 1372 O SER A 86 126.690 15.150 -7.901 1.00 0.00 O ATOM 1373 CB SER A 86 129.395 16.134 -9.053 1.00 0.00 C ATOM 1374 OG SER A 86 130.299 15.087 -8.725 1.00 0.00 O ATOM 0 H SER A 86 127.120 17.372 -9.405 1.00 0.00 H new ATOM 0 HA SER A 86 128.442 14.914 -10.595 1.00 0.00 H new ATOM 0 HB2 SER A 86 129.882 16.859 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 86 129.095 16.667 -8.151 1.00 0.00 H new ATOM 0 HG SER A 86 131.088 15.463 -8.281 1.00 0.00 H new ATOM 1380 N SER A 87 127.476 13.361 -8.932 1.00 0.00 N ATOM 1381 CA SER A 87 126.754 12.429 -8.009 1.00 0.00 C ATOM 1382 C SER A 87 127.622 12.107 -6.785 1.00 0.00 C ATOM 1383 O SER A 87 127.112 11.828 -5.715 1.00 0.00 O ATOM 1384 CB SER A 87 126.502 11.166 -8.833 1.00 0.00 C ATOM 1385 OG SER A 87 125.613 10.313 -8.124 1.00 0.00 O ATOM 0 H SER A 87 128.026 12.905 -9.660 1.00 0.00 H new ATOM 0 HA SER A 87 125.827 12.863 -7.633 1.00 0.00 H new ATOM 0 HB2 SER A 87 126.077 11.429 -9.802 1.00 0.00 H new ATOM 0 HB3 SER A 87 127.443 10.650 -9.026 1.00 0.00 H new ATOM 0 HG SER A 87 125.448 9.503 -8.650 1.00 0.00 H new ATOM 1391 N LYS A 88 128.927 12.145 -6.936 1.00 0.00 N ATOM 1392 CA LYS A 88 129.840 11.834 -5.784 1.00 0.00 C ATOM 1393 C LYS A 88 129.621 12.826 -4.633 1.00 0.00 C ATOM 1394 O LYS A 88 129.819 12.497 -3.478 1.00 0.00 O ATOM 1395 CB LYS A 88 131.260 11.973 -6.340 1.00 0.00 C ATOM 1396 CG LYS A 88 131.512 10.879 -7.380 1.00 0.00 C ATOM 1397 CD LYS A 88 132.967 10.946 -7.850 1.00 0.00 C ATOM 1398 CE LYS A 88 133.193 9.918 -8.961 1.00 0.00 C ATOM 1399 NZ LYS A 88 133.385 8.622 -8.251 1.00 0.00 N ATOM 0 H LYS A 88 129.401 12.378 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 88 129.653 10.838 -5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 88 131.390 12.956 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 88 131.987 11.895 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 88 131.302 9.899 -6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 88 130.839 11.006 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 88 133.197 11.947 -8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 88 133.639 10.749 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 88 132.340 9.875 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 88 134.066 10.172 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 134.354 8.279 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 133.230 8.758 -7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 132.706 7.923 -8.614 1.00 0.00 H new ATOM 1413 N ASN A 89 129.213 14.041 -4.943 1.00 0.00 N ATOM 1414 CA ASN A 89 128.960 15.077 -3.880 1.00 0.00 C ATOM 1415 C ASN A 89 130.198 15.249 -2.984 1.00 0.00 C ATOM 1416 O ASN A 89 130.110 15.216 -1.768 1.00 0.00 O ATOM 1417 CB ASN A 89 127.761 14.562 -3.069 1.00 0.00 C ATOM 1418 CG ASN A 89 126.521 14.508 -3.964 1.00 0.00 C ATOM 1419 OD1 ASN A 89 125.858 13.492 -4.043 1.00 0.00 O ATOM 1420 ND2 ASN A 89 126.175 15.566 -4.646 1.00 0.00 N ATOM 0 H ASN A 89 129.043 14.361 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 89 128.753 16.055 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 89 127.978 13.571 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 89 127.578 15.216 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 89 125.349 15.540 -5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 89 126.730 16.419 -4.581 1.00 0.00 H new ATOM 1427 N LYS A 90 131.351 15.433 -3.584 1.00 0.00 N ATOM 1428 CA LYS A 90 132.613 15.604 -2.786 1.00 0.00 C ATOM 1429 C LYS A 90 132.519 16.842 -1.884 1.00 0.00 C ATOM 1430 O LYS A 90 133.096 16.880 -0.812 1.00 0.00 O ATOM 1431 CB LYS A 90 133.727 15.780 -3.821 1.00 0.00 C ATOM 1432 CG LYS A 90 135.089 15.735 -3.125 1.00 0.00 C ATOM 1433 CD LYS A 90 136.203 15.826 -4.169 1.00 0.00 C ATOM 1434 CE LYS A 90 136.317 17.266 -4.674 1.00 0.00 C ATOM 1435 NZ LYS A 90 136.887 17.149 -6.045 1.00 0.00 N ATOM 0 H LYS A 90 131.475 15.473 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 90 132.796 14.751 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 90 133.666 14.993 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 90 133.605 16.729 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 90 135.173 16.558 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 90 135.186 14.812 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 90 137.150 15.507 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 90 135.992 15.154 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 90 135.344 17.756 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 90 136.962 17.861 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 136.995 18.097 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 137.816 16.685 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 136.248 16.583 -6.639 1.00 0.00 H new ATOM 1449 N TRP A 91 131.798 17.850 -2.313 1.00 0.00 N ATOM 1450 CA TRP A 91 131.680 19.100 -1.498 1.00 0.00 C ATOM 1451 C TRP A 91 130.551 18.960 -0.471 1.00 0.00 C ATOM 1452 O TRP A 91 129.596 18.239 -0.686 1.00 0.00 O ATOM 1453 CB TRP A 91 131.357 20.207 -2.505 1.00 0.00 C ATOM 1454 CG TRP A 91 131.293 21.572 -1.894 1.00 0.00 C ATOM 1455 CD1 TRP A 91 132.365 22.294 -1.489 1.00 0.00 C ATOM 1456 CD2 TRP A 91 130.120 22.386 -1.612 1.00 0.00 C ATOM 1457 NE1 TRP A 91 131.927 23.504 -0.975 1.00 0.00 N ATOM 1458 CE2 TRP A 91 130.552 23.614 -1.027 1.00 0.00 C ATOM 1459 CE3 TRP A 91 128.723 22.188 -1.805 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 129.634 24.614 -0.642 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 127.795 23.191 -1.420 1.00 0.00 C ATOM 1462 CH2 TRP A 91 128.251 24.403 -0.840 1.00 0.00 C ATOM 0 H TRP A 91 131.285 17.861 -3.195 1.00 0.00 H new ATOM 0 HA TRP A 91 132.592 19.313 -0.940 1.00 0.00 H new ATOM 0 HB2 TRP A 91 132.113 20.204 -3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 91 130.402 19.986 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 91 133.395 21.978 -1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 91 132.545 24.225 -0.604 1.00 0.00 H new ATOM 0 HE3 TRP A 91 128.367 21.269 -2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 129.986 25.534 -0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 126.737 23.031 -1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 91 127.541 25.164 -0.550 1.00 0.00 H new ATOM 1473 N SER A 92 130.664 19.651 0.645 1.00 0.00 N ATOM 1474 CA SER A 92 129.596 19.622 1.707 1.00 0.00 C ATOM 1475 C SER A 92 129.203 18.178 2.070 1.00 0.00 C ATOM 1476 O SER A 92 128.041 17.811 2.034 1.00 0.00 O ATOM 1477 CB SER A 92 128.408 20.396 1.113 1.00 0.00 C ATOM 1478 OG SER A 92 127.677 19.560 0.226 1.00 0.00 O ATOM 0 H SER A 92 131.464 20.243 0.869 1.00 0.00 H new ATOM 0 HA SER A 92 129.943 20.073 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 92 127.757 20.749 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 92 128.767 21.278 0.582 1.00 0.00 H new ATOM 0 HG SER A 92 128.222 18.782 -0.015 1.00 0.00 H new ATOM 1484 N MET A 93 130.169 17.364 2.422 1.00 0.00 N ATOM 1485 CA MET A 93 129.864 15.955 2.826 1.00 0.00 C ATOM 1486 C MET A 93 129.635 15.879 4.339 1.00 0.00 C ATOM 1487 O MET A 93 128.543 15.592 4.794 1.00 0.00 O ATOM 1488 CB MET A 93 131.100 15.145 2.426 1.00 0.00 C ATOM 1489 CG MET A 93 131.202 15.085 0.901 1.00 0.00 C ATOM 1490 SD MET A 93 132.547 13.969 0.431 1.00 0.00 S ATOM 1491 CE MET A 93 133.898 14.908 1.188 1.00 0.00 C ATOM 0 H MET A 93 131.157 17.615 2.447 1.00 0.00 H new ATOM 0 HA MET A 93 128.961 15.575 2.348 1.00 0.00 H new ATOM 0 HB2 MET A 93 131.997 15.602 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 93 131.035 14.137 2.836 1.00 0.00 H new ATOM 0 HG2 MET A 93 130.261 14.737 0.476 1.00 0.00 H new ATOM 0 HG3 MET A 93 131.384 16.081 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 93 134.748 14.936 0.506 1.00 0.00 H new ATOM 0 HE2 MET A 93 133.564 15.925 1.394 1.00 0.00 H new ATOM 0 HE3 MET A 93 134.197 14.429 2.120 1.00 0.00 H new ATOM 1501 N ASP A 94 130.660 16.132 5.118 1.00 0.00 N ATOM 1502 CA ASP A 94 130.517 16.073 6.605 1.00 0.00 C ATOM 1503 C ASP A 94 130.576 17.485 7.198 1.00 0.00 C ATOM 1504 O ASP A 94 131.441 18.272 6.858 1.00 0.00 O ATOM 1505 CB ASP A 94 131.707 15.240 7.084 1.00 0.00 C ATOM 1506 CG ASP A 94 131.548 14.926 8.573 1.00 0.00 C ATOM 1507 OD1 ASP A 94 130.864 13.966 8.886 1.00 0.00 O ATOM 1508 OD2 ASP A 94 132.114 15.651 9.374 1.00 0.00 O ATOM 0 H ASP A 94 131.592 16.378 4.785 1.00 0.00 H new ATOM 0 HA ASP A 94 129.566 15.639 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 94 131.770 14.315 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 94 132.636 15.784 6.914 1.00 0.00 H new ATOM 1513 N CYS A 95 129.661 17.806 8.081 1.00 0.00 N ATOM 1514 CA CYS A 95 129.663 19.156 8.722 1.00 0.00 C ATOM 1515 C CYS A 95 129.425 19.026 10.229 1.00 0.00 C ATOM 1516 O CYS A 95 128.370 18.601 10.662 1.00 0.00 O ATOM 1517 CB CYS A 95 128.509 19.910 8.060 1.00 0.00 C ATOM 1518 SG CYS A 95 129.040 20.535 6.446 1.00 0.00 S ATOM 0 H CYS A 95 128.910 17.187 8.386 1.00 0.00 H new ATOM 0 HA CYS A 95 130.614 19.673 8.594 1.00 0.00 H new ATOM 0 HB2 CYS A 95 127.650 19.249 7.941 1.00 0.00 H new ATOM 0 HB3 CYS A 95 128.190 20.737 8.695 1.00 0.00 H new ATOM 0 HG CYS A 95 130.110 19.902 6.066 1.00 0.00 H new ATOM 1524 N ASP A 96 130.402 19.388 11.026 1.00 0.00 N ATOM 1525 CA ASP A 96 130.245 19.289 12.509 1.00 0.00 C ATOM 1526 C ASP A 96 129.844 20.647 13.092 1.00 0.00 C ATOM 1527 O ASP A 96 130.656 21.549 13.195 1.00 0.00 O ATOM 1528 CB ASP A 96 131.622 18.868 13.028 1.00 0.00 C ATOM 1529 CG ASP A 96 131.943 17.449 12.550 1.00 0.00 C ATOM 1530 OD1 ASP A 96 133.072 17.222 12.149 1.00 0.00 O ATOM 1531 OD2 ASP A 96 131.056 16.613 12.597 1.00 0.00 O ATOM 0 H ASP A 96 131.303 19.748 10.711 1.00 0.00 H new ATOM 0 HA ASP A 96 129.468 18.580 12.794 1.00 0.00 H new ATOM 0 HB2 ASP A 96 132.383 19.563 12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 96 131.638 18.907 14.117 1.00 0.00 H new ATOM 1536 N GLU A 97 128.598 20.794 13.473 1.00 0.00 N ATOM 1537 CA GLU A 97 128.133 22.086 14.068 1.00 0.00 C ATOM 1538 C GLU A 97 127.318 21.818 15.336 1.00 0.00 C ATOM 1539 O GLU A 97 126.613 20.831 15.432 1.00 0.00 O ATOM 1540 CB GLU A 97 127.254 22.727 12.991 1.00 0.00 C ATOM 1541 CG GLU A 97 128.114 23.103 11.782 1.00 0.00 C ATOM 1542 CD GLU A 97 127.250 23.822 10.745 1.00 0.00 C ATOM 1543 OE1 GLU A 97 126.488 23.150 10.070 1.00 0.00 O ATOM 1544 OE2 GLU A 97 127.365 25.032 10.643 1.00 0.00 O ATOM 0 H GLU A 97 127.881 20.072 13.397 1.00 0.00 H new ATOM 0 HA GLU A 97 128.963 22.732 14.353 1.00 0.00 H new ATOM 0 HB2 GLU A 97 126.468 22.035 12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 97 126.762 23.614 13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 97 128.937 23.746 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 97 128.557 22.208 11.345 1.00 0.00 H new ATOM 1551 N GLU A 98 127.411 22.694 16.308 1.00 0.00 N ATOM 1552 CA GLU A 98 126.631 22.514 17.571 1.00 0.00 C ATOM 1553 C GLU A 98 125.733 23.731 17.815 1.00 0.00 C ATOM 1554 O GLU A 98 126.188 24.860 17.793 1.00 0.00 O ATOM 1555 CB GLU A 98 127.683 22.396 18.677 1.00 0.00 C ATOM 1556 CG GLU A 98 128.486 21.106 18.487 1.00 0.00 C ATOM 1557 CD GLU A 98 129.480 20.950 19.639 1.00 0.00 C ATOM 1558 OE1 GLU A 98 130.483 21.646 19.629 1.00 0.00 O ATOM 1559 OE2 GLU A 98 129.223 20.137 20.512 1.00 0.00 O ATOM 0 H GLU A 98 127.996 23.529 16.279 1.00 0.00 H new ATOM 0 HA GLU A 98 125.981 21.640 17.532 1.00 0.00 H new ATOM 0 HB2 GLU A 98 128.350 23.258 18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 98 127.200 22.395 19.654 1.00 0.00 H new ATOM 0 HG2 GLU A 98 127.814 20.248 18.454 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.017 21.132 17.535 1.00 0.00 H new ATOM 1566 N PHE A 99 124.462 23.505 18.045 1.00 0.00 N ATOM 1567 CA PHE A 99 123.524 24.640 18.301 1.00 0.00 C ATOM 1568 C PHE A 99 123.039 24.609 19.753 1.00 0.00 C ATOM 1569 O PHE A 99 122.588 23.588 20.241 1.00 0.00 O ATOM 1570 CB PHE A 99 122.357 24.413 17.341 1.00 0.00 C ATOM 1571 CG PHE A 99 121.355 25.543 17.333 1.00 0.00 C ATOM 1572 CD1 PHE A 99 120.189 25.462 18.134 1.00 0.00 C ATOM 1573 CD2 PHE A 99 121.581 26.685 16.526 1.00 0.00 C ATOM 1574 CE1 PHE A 99 119.250 26.522 18.126 1.00 0.00 C ATOM 1575 CE2 PHE A 99 120.641 27.745 16.518 1.00 0.00 C ATOM 1576 CZ PHE A 99 119.476 27.663 17.318 1.00 0.00 C ATOM 0 H PHE A 99 124.034 22.580 18.066 1.00 0.00 H new ATOM 0 HA PHE A 99 123.997 25.610 18.146 1.00 0.00 H new ATOM 0 HB2 PHE A 99 122.748 24.277 16.333 1.00 0.00 H new ATOM 0 HB3 PHE A 99 121.848 23.488 17.613 1.00 0.00 H new ATOM 0 HD1 PHE A 99 120.016 24.592 18.750 1.00 0.00 H new ATOM 0 HD2 PHE A 99 122.470 26.748 15.916 1.00 0.00 H new ATOM 0 HE1 PHE A 99 118.361 26.460 18.736 1.00 0.00 H new ATOM 0 HE2 PHE A 99 120.813 28.615 15.902 1.00 0.00 H new ATOM 0 HZ PHE A 99 118.759 28.471 17.312 1.00 0.00 H new ATOM 1586 N ASP A 100 123.129 25.720 20.442 1.00 0.00 N ATOM 1587 CA ASP A 100 122.667 25.772 21.862 1.00 0.00 C ATOM 1588 C ASP A 100 121.317 26.489 21.953 1.00 0.00 C ATOM 1589 O ASP A 100 120.992 27.321 21.125 1.00 0.00 O ATOM 1590 CB ASP A 100 123.746 26.563 22.605 1.00 0.00 C ATOM 1591 CG ASP A 100 125.053 25.765 22.622 1.00 0.00 C ATOM 1592 OD1 ASP A 100 124.992 24.566 22.841 1.00 0.00 O ATOM 1593 OD2 ASP A 100 126.094 26.367 22.416 1.00 0.00 O ATOM 0 H ASP A 100 123.504 26.596 20.079 1.00 0.00 H new ATOM 0 HA ASP A 100 122.528 24.778 22.286 1.00 0.00 H new ATOM 0 HB2 ASP A 100 123.903 27.526 22.120 1.00 0.00 H new ATOM 0 HB3 ASP A 100 123.422 26.769 23.625 1.00 0.00 H new ATOM 1598 N PHE A 101 120.533 26.172 22.955 1.00 0.00 N ATOM 1599 CA PHE A 101 119.205 26.838 23.118 1.00 0.00 C ATOM 1600 C PHE A 101 119.281 27.907 24.211 1.00 0.00 C ATOM 1601 O PHE A 101 119.776 27.660 25.296 1.00 0.00 O ATOM 1602 CB PHE A 101 118.248 25.718 23.528 1.00 0.00 C ATOM 1603 CG PHE A 101 118.078 24.653 22.470 1.00 0.00 C ATOM 1604 CD1 PHE A 101 118.862 23.475 22.519 1.00 0.00 C ATOM 1605 CD2 PHE A 101 117.135 24.834 21.428 1.00 0.00 C ATOM 1606 CE1 PHE A 101 118.702 22.476 21.527 1.00 0.00 C ATOM 1607 CE2 PHE A 101 116.975 23.835 20.436 1.00 0.00 C ATOM 1608 CZ PHE A 101 117.759 22.656 20.486 1.00 0.00 C ATOM 0 H PHE A 101 120.757 25.478 23.668 1.00 0.00 H new ATOM 0 HA PHE A 101 118.879 27.339 22.206 1.00 0.00 H new ATOM 0 HB2 PHE A 101 118.615 25.254 24.443 1.00 0.00 H new ATOM 0 HB3 PHE A 101 117.274 26.149 23.758 1.00 0.00 H new ATOM 0 HD1 PHE A 101 119.582 23.338 23.312 1.00 0.00 H new ATOM 0 HD2 PHE A 101 116.538 25.733 21.390 1.00 0.00 H new ATOM 0 HE1 PHE A 101 119.299 21.577 21.565 1.00 0.00 H new ATOM 0 HE2 PHE A 101 116.256 23.972 19.642 1.00 0.00 H new ATOM 0 HZ PHE A 101 117.637 21.894 19.730 1.00 0.00 H new ATOM 1618 N ALA A 102 118.792 29.090 23.931 1.00 0.00 N ATOM 1619 CA ALA A 102 118.840 30.190 24.941 1.00 0.00 C ATOM 1620 C ALA A 102 117.453 30.413 25.550 1.00 0.00 C ATOM 1621 O ALA A 102 116.446 30.297 24.874 1.00 0.00 O ATOM 1622 CB ALA A 102 119.287 31.425 24.160 1.00 0.00 C ATOM 0 H ALA A 102 118.360 29.341 23.042 1.00 0.00 H new ATOM 0 HA ALA A 102 119.515 29.962 25.766 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.347 32.280 24.834 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.267 31.241 23.719 1.00 0.00 H new ATOM 0 HB3 ALA A 102 118.567 31.636 23.370 1.00 0.00 H new ATOM 1628 N ALA A 103 117.398 30.732 26.820 1.00 0.00 N ATOM 1629 CA ALA A 103 116.082 30.979 27.484 1.00 0.00 C ATOM 1630 C ALA A 103 116.188 32.171 28.440 1.00 0.00 C ATOM 1631 O ALA A 103 115.468 33.144 28.310 1.00 0.00 O ATOM 1632 CB ALA A 103 115.782 29.695 28.258 1.00 0.00 C ATOM 0 H ALA A 103 118.212 30.832 27.427 1.00 0.00 H new ATOM 0 HA ALA A 103 115.295 31.216 26.768 1.00 0.00 H new ATOM 0 HB1 ALA A 103 114.828 29.797 28.775 1.00 0.00 H new ATOM 0 HB2 ALA A 103 115.731 28.856 27.565 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.573 29.516 28.987 1.00 0.00 H new ATOM 1638 N ASN A 104 117.081 32.096 29.398 1.00 0.00 N ATOM 1639 CA ASN A 104 117.250 33.227 30.370 1.00 0.00 C ATOM 1640 C ASN A 104 117.784 34.471 29.651 1.00 0.00 C ATOM 1641 O ASN A 104 117.432 35.587 29.985 1.00 0.00 O ATOM 1642 CB ASN A 104 118.264 32.731 31.405 1.00 0.00 C ATOM 1643 CG ASN A 104 117.658 31.578 32.208 1.00 0.00 C ATOM 1644 OD1 ASN A 104 118.255 30.527 32.329 1.00 0.00 O ATOM 1645 ND2 ASN A 104 116.489 31.732 32.768 1.00 0.00 N ATOM 0 H ASN A 104 117.701 31.301 29.550 1.00 0.00 H new ATOM 0 HA ASN A 104 116.304 33.507 30.834 1.00 0.00 H new ATOM 0 HB2 ASN A 104 119.175 32.400 30.906 1.00 0.00 H new ATOM 0 HB3 ASN A 104 118.544 33.545 32.074 1.00 0.00 H new ATOM 0 HD21 ASN A 104 116.077 30.970 33.307 1.00 0.00 H new ATOM 0 HD22 ASN A 104 115.987 32.614 32.667 1.00 0.00 H new ATOM 1652 N LEU A 105 118.632 34.280 28.668 1.00 0.00 N ATOM 1653 CA LEU A 105 119.192 35.444 27.914 1.00 0.00 C ATOM 1654 C LEU A 105 118.444 35.628 26.591 1.00 0.00 C ATOM 1655 O LEU A 105 118.075 34.666 25.941 1.00 0.00 O ATOM 1656 CB LEU A 105 120.657 35.084 27.657 1.00 0.00 C ATOM 1657 CG LEU A 105 121.451 35.191 28.962 1.00 0.00 C ATOM 1658 CD1 LEU A 105 121.300 33.896 29.763 1.00 0.00 C ATOM 1659 CD2 LEU A 105 122.930 35.420 28.641 1.00 0.00 C ATOM 0 H LEU A 105 118.960 33.366 28.356 1.00 0.00 H new ATOM 0 HA LEU A 105 119.093 36.378 28.466 1.00 0.00 H new ATOM 0 HB2 LEU A 105 120.728 34.072 27.259 1.00 0.00 H new ATOM 0 HB3 LEU A 105 121.080 35.752 26.907 1.00 0.00 H new ATOM 0 HG LEU A 105 121.070 36.027 29.549 1.00 0.00 H new ATOM 0 HD11 LEU A 105 121.866 33.974 30.691 1.00 0.00 H new ATOM 0 HD12 LEU A 105 120.247 33.731 29.993 1.00 0.00 H new ATOM 0 HD13 LEU A 105 121.679 33.059 29.177 1.00 0.00 H new ATOM 0 HD21 LEU A 105 123.496 35.496 29.569 1.00 0.00 H new ATOM 0 HD22 LEU A 105 123.308 34.584 28.053 1.00 0.00 H new ATOM 0 HD23 LEU A 105 123.040 36.343 28.072 1.00 0.00 H new ATOM 1671 N GLU A 106 118.222 36.856 26.192 1.00 0.00 N ATOM 1672 CA GLU A 106 117.502 37.119 24.908 1.00 0.00 C ATOM 1673 C GLU A 106 118.483 37.633 23.849 1.00 0.00 C ATOM 1674 O GLU A 106 119.488 38.241 24.168 1.00 0.00 O ATOM 1675 CB GLU A 106 116.465 38.192 25.242 1.00 0.00 C ATOM 1676 CG GLU A 106 115.401 37.611 26.181 1.00 0.00 C ATOM 1677 CD GLU A 106 115.862 37.738 27.636 1.00 0.00 C ATOM 1678 OE1 GLU A 106 115.612 36.817 28.398 1.00 0.00 O ATOM 1679 OE2 GLU A 106 116.452 38.753 27.967 1.00 0.00 O ATOM 0 H GLU A 106 118.510 37.691 26.703 1.00 0.00 H new ATOM 0 HA GLU A 106 117.038 36.219 24.505 1.00 0.00 H new ATOM 0 HB2 GLU A 106 116.951 39.047 25.713 1.00 0.00 H new ATOM 0 HB3 GLU A 106 115.997 38.556 24.327 1.00 0.00 H new ATOM 0 HG2 GLU A 106 114.456 38.137 26.043 1.00 0.00 H new ATOM 0 HG3 GLU A 106 115.222 36.564 25.938 1.00 0.00 H new ATOM 1686 N LYS A 107 118.193 37.391 22.592 1.00 0.00 N ATOM 1687 CA LYS A 107 119.102 37.860 21.502 1.00 0.00 C ATOM 1688 C LYS A 107 118.674 39.250 21.021 1.00 0.00 C ATOM 1689 O LYS A 107 117.500 39.520 20.845 1.00 0.00 O ATOM 1690 CB LYS A 107 118.944 36.832 20.379 1.00 0.00 C ATOM 1691 CG LYS A 107 120.005 37.081 19.304 1.00 0.00 C ATOM 1692 CD LYS A 107 119.904 36.001 18.225 1.00 0.00 C ATOM 1693 CE LYS A 107 118.646 36.231 17.385 1.00 0.00 C ATOM 1694 NZ LYS A 107 118.682 35.170 16.339 1.00 0.00 N ATOM 0 H LYS A 107 117.364 36.888 22.275 1.00 0.00 H new ATOM 0 HA LYS A 107 120.137 37.941 21.835 1.00 0.00 H new ATOM 0 HB2 LYS A 107 119.046 35.823 20.779 1.00 0.00 H new ATOM 0 HB3 LYS A 107 117.947 36.903 19.944 1.00 0.00 H new ATOM 0 HG2 LYS A 107 119.864 38.067 18.861 1.00 0.00 H new ATOM 0 HG3 LYS A 107 120.999 37.072 19.751 1.00 0.00 H new ATOM 0 HD2 LYS A 107 120.788 36.025 17.588 1.00 0.00 H new ATOM 0 HD3 LYS A 107 119.870 35.014 18.686 1.00 0.00 H new ATOM 0 HE2 LYS A 107 117.745 36.155 17.994 1.00 0.00 H new ATOM 0 HE3 LYS A 107 118.646 37.225 16.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 117.850 35.262 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 119.547 35.272 15.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 118.674 34.234 16.793 1.00 0.00 H new ATOM 1708 N PHE A 108 119.622 40.131 20.809 1.00 0.00 N ATOM 1709 CA PHE A 108 119.285 41.512 20.346 1.00 0.00 C ATOM 1710 C PHE A 108 119.625 41.672 18.862 1.00 0.00 C ATOM 1711 O PHE A 108 120.694 41.293 18.419 1.00 0.00 O ATOM 1712 CB PHE A 108 120.152 42.438 21.199 1.00 0.00 C ATOM 1713 CG PHE A 108 119.833 42.374 22.674 1.00 0.00 C ATOM 1714 CD1 PHE A 108 120.602 41.547 23.528 1.00 0.00 C ATOM 1715 CD2 PHE A 108 118.766 43.140 23.201 1.00 0.00 C ATOM 1716 CE1 PHE A 108 120.304 41.487 24.911 1.00 0.00 C ATOM 1717 CE2 PHE A 108 118.468 43.080 24.585 1.00 0.00 C ATOM 1718 CZ PHE A 108 119.236 42.253 25.440 1.00 0.00 C ATOM 0 H PHE A 108 120.618 39.951 20.938 1.00 0.00 H new ATOM 0 HA PHE A 108 118.223 41.735 20.452 1.00 0.00 H new ATOM 0 HB2 PHE A 108 121.200 42.179 21.051 1.00 0.00 H new ATOM 0 HB3 PHE A 108 120.024 43.463 20.852 1.00 0.00 H new ATOM 0 HD1 PHE A 108 121.416 40.962 23.125 1.00 0.00 H new ATOM 0 HD2 PHE A 108 118.179 43.770 22.549 1.00 0.00 H new ATOM 0 HE1 PHE A 108 120.891 40.857 25.563 1.00 0.00 H new ATOM 0 HE2 PHE A 108 117.655 43.665 24.988 1.00 0.00 H new ATOM 0 HZ PHE A 108 119.008 42.206 26.495 1.00 0.00 H new ATOM 1728 N ASP A 109 118.721 42.232 18.095 1.00 0.00 N ATOM 1729 CA ASP A 109 118.981 42.435 16.637 1.00 0.00 C ATOM 1730 C ASP A 109 118.393 43.771 16.176 1.00 0.00 C ATOM 1731 O ASP A 109 119.043 44.541 15.492 1.00 0.00 O ATOM 1732 CB ASP A 109 118.275 41.269 15.943 1.00 0.00 C ATOM 1733 CG ASP A 109 118.672 41.234 14.466 1.00 0.00 C ATOM 1734 OD1 ASP A 109 119.850 41.385 14.185 1.00 0.00 O ATOM 1735 OD2 ASP A 109 117.791 41.057 13.640 1.00 0.00 O ATOM 0 H ASP A 109 117.810 42.558 18.419 1.00 0.00 H new ATOM 0 HA ASP A 109 120.046 42.461 16.407 1.00 0.00 H new ATOM 0 HB2 ASP A 109 118.544 40.329 16.425 1.00 0.00 H new ATOM 0 HB3 ASP A 109 117.194 41.377 16.037 1.00 0.00 H new ATOM 1740 N LYS A 110 117.165 44.048 16.548 1.00 0.00 N ATOM 1741 CA LYS A 110 116.526 45.342 16.154 1.00 0.00 C ATOM 1742 C LYS A 110 116.895 46.438 17.157 1.00 0.00 C ATOM 1743 O LYS A 110 117.193 46.162 18.305 1.00 0.00 O ATOM 1744 CB LYS A 110 115.020 45.072 16.181 1.00 0.00 C ATOM 1745 CG LYS A 110 114.275 46.250 15.547 1.00 0.00 C ATOM 1746 CD LYS A 110 114.458 46.214 14.029 1.00 0.00 C ATOM 1747 CE LYS A 110 113.627 47.328 13.388 1.00 0.00 C ATOM 1748 NZ LYS A 110 114.478 48.546 13.485 1.00 0.00 N ATOM 0 H LYS A 110 116.578 43.431 17.109 1.00 0.00 H new ATOM 0 HA LYS A 110 116.857 45.683 15.173 1.00 0.00 H new ATOM 0 HB2 LYS A 110 114.795 44.153 15.640 1.00 0.00 H new ATOM 0 HB3 LYS A 110 114.685 44.927 17.208 1.00 0.00 H new ATOM 0 HG2 LYS A 110 113.215 46.200 15.797 1.00 0.00 H new ATOM 0 HG3 LYS A 110 114.653 47.191 15.947 1.00 0.00 H new ATOM 0 HD2 LYS A 110 115.511 46.340 13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 110 114.149 45.245 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 110 113.388 47.095 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 110 112.680 47.465 13.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 113.879 49.373 13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 115.167 48.428 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 114.984 48.689 12.587 1.00 0.00 H new ATOM 1762 N LYS A 111 116.876 47.680 16.731 1.00 0.00 N ATOM 1763 CA LYS A 111 117.243 48.810 17.651 1.00 0.00 C ATOM 1764 C LYS A 111 116.292 48.855 18.855 1.00 0.00 C ATOM 1765 O LYS A 111 116.684 49.215 19.948 1.00 0.00 O ATOM 1766 CB LYS A 111 117.100 50.084 16.812 1.00 0.00 C ATOM 1767 CG LYS A 111 118.151 50.085 15.699 1.00 0.00 C ATOM 1768 CD LYS A 111 118.084 51.408 14.934 1.00 0.00 C ATOM 1769 CE LYS A 111 119.050 51.363 13.749 1.00 0.00 C ATOM 1770 NZ LYS A 111 118.693 52.545 12.916 1.00 0.00 N ATOM 0 H LYS A 111 116.622 47.962 15.784 1.00 0.00 H new ATOM 0 HA LYS A 111 118.252 48.695 18.047 1.00 0.00 H new ATOM 0 HB2 LYS A 111 116.100 50.138 16.382 1.00 0.00 H new ATOM 0 HB3 LYS A 111 117.223 50.964 17.444 1.00 0.00 H new ATOM 0 HG2 LYS A 111 119.146 49.948 16.124 1.00 0.00 H new ATOM 0 HG3 LYS A 111 117.977 49.251 15.019 1.00 0.00 H new ATOM 0 HD2 LYS A 111 117.068 51.585 14.582 1.00 0.00 H new ATOM 0 HD3 LYS A 111 118.341 52.236 15.595 1.00 0.00 H new ATOM 0 HE2 LYS A 111 120.086 51.414 14.083 1.00 0.00 H new ATOM 0 HE3 LYS A 111 118.941 50.436 13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 119.314 52.582 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 117.703 52.466 12.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 118.813 53.413 13.476 1.00 0.00 H new ATOM 1784 N GLN A 112 115.043 48.489 18.652 1.00 0.00 N ATOM 1785 CA GLN A 112 114.032 48.490 19.770 1.00 0.00 C ATOM 1786 C GLN A 112 113.900 49.887 20.391 1.00 0.00 C ATOM 1787 O GLN A 112 114.709 50.765 20.150 1.00 0.00 O ATOM 1788 CB GLN A 112 114.553 47.482 20.806 1.00 0.00 C ATOM 1789 CG GLN A 112 113.455 47.184 21.831 1.00 0.00 C ATOM 1790 CD GLN A 112 113.876 46.001 22.709 1.00 0.00 C ATOM 1791 OE1 GLN A 112 114.575 45.112 22.263 1.00 0.00 O ATOM 1792 NE2 GLN A 112 113.476 45.953 23.950 1.00 0.00 N ATOM 0 H GLN A 112 114.676 48.186 17.750 1.00 0.00 H new ATOM 0 HA GLN A 112 113.041 48.218 19.408 1.00 0.00 H new ATOM 0 HB2 GLN A 112 114.861 46.562 20.310 1.00 0.00 H new ATOM 0 HB3 GLN A 112 115.434 47.883 21.308 1.00 0.00 H new ATOM 0 HG2 GLN A 112 113.274 48.063 22.450 1.00 0.00 H new ATOM 0 HG3 GLN A 112 112.520 46.956 21.320 1.00 0.00 H new ATOM 0 HE21 GLN A 112 112.889 46.698 24.326 1.00 0.00 H new ATOM 0 HE22 GLN A 112 113.750 45.170 24.544 1.00 0.00 H new ATOM 1801 N VAL A 113 112.878 50.096 21.188 1.00 0.00 N ATOM 1802 CA VAL A 113 112.687 51.424 21.850 1.00 0.00 C ATOM 1803 C VAL A 113 112.575 51.244 23.374 1.00 0.00 C ATOM 1804 O VAL A 113 112.008 50.278 23.851 1.00 0.00 O ATOM 1805 CB VAL A 113 111.388 51.990 21.244 1.00 0.00 C ATOM 1806 CG1 VAL A 113 110.201 51.071 21.557 1.00 0.00 C ATOM 1807 CG2 VAL A 113 111.116 53.387 21.815 1.00 0.00 C ATOM 0 H VAL A 113 112.166 49.400 21.408 1.00 0.00 H new ATOM 0 HA VAL A 113 113.525 52.102 21.685 1.00 0.00 H new ATOM 0 HB VAL A 113 111.509 52.052 20.163 1.00 0.00 H new ATOM 0 HG11 VAL A 113 109.293 51.488 21.121 1.00 0.00 H new ATOM 0 HG12 VAL A 113 110.385 50.083 21.136 1.00 0.00 H new ATOM 0 HG13 VAL A 113 110.080 50.988 22.637 1.00 0.00 H new ATOM 0 HG21 VAL A 113 110.197 53.784 21.384 1.00 0.00 H new ATOM 0 HG22 VAL A 113 111.011 53.323 22.898 1.00 0.00 H new ATOM 0 HG23 VAL A 113 111.947 54.049 21.569 1.00 0.00 H new ATOM 1817 N PHE A 114 113.113 52.171 24.130 1.00 0.00 N ATOM 1818 CA PHE A 114 113.128 52.029 25.625 1.00 0.00 C ATOM 1819 C PHE A 114 111.701 52.006 26.186 1.00 0.00 C ATOM 1820 O PHE A 114 111.431 51.357 27.180 1.00 0.00 O ATOM 1821 CB PHE A 114 113.883 53.256 26.142 1.00 0.00 C ATOM 1822 CG PHE A 114 114.117 53.234 27.635 1.00 0.00 C ATOM 1823 CD1 PHE A 114 115.239 52.554 28.166 1.00 0.00 C ATOM 1824 CD2 PHE A 114 113.213 53.894 28.503 1.00 0.00 C ATOM 1825 CE1 PHE A 114 115.459 52.534 29.565 1.00 0.00 C ATOM 1826 CE2 PHE A 114 113.433 53.874 29.902 1.00 0.00 C ATOM 1827 CZ PHE A 114 114.555 53.194 30.433 1.00 0.00 C ATOM 0 H PHE A 114 113.545 53.025 23.776 1.00 0.00 H new ATOM 0 HA PHE A 114 113.601 51.097 25.934 1.00 0.00 H new ATOM 0 HB2 PHE A 114 114.844 53.323 25.632 1.00 0.00 H new ATOM 0 HB3 PHE A 114 113.322 54.154 25.883 1.00 0.00 H new ATOM 0 HD1 PHE A 114 115.928 52.050 27.504 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.356 54.412 28.098 1.00 0.00 H new ATOM 0 HE1 PHE A 114 116.316 52.016 29.970 1.00 0.00 H new ATOM 0 HE2 PHE A 114 112.744 54.378 30.564 1.00 0.00 H new ATOM 0 HZ PHE A 114 114.722 53.178 31.500 1.00 0.00 H new ATOM 1837 N ALA A 115 110.789 52.710 25.556 1.00 0.00 N ATOM 1838 CA ALA A 115 109.382 52.782 26.081 1.00 0.00 C ATOM 1839 C ALA A 115 108.752 51.385 26.150 1.00 0.00 C ATOM 1840 O ALA A 115 107.912 51.118 26.990 1.00 0.00 O ATOM 1841 CB ALA A 115 108.621 53.659 25.083 1.00 0.00 C ATOM 0 H ALA A 115 110.956 53.239 24.700 1.00 0.00 H new ATOM 0 HA ALA A 115 109.352 53.190 27.091 1.00 0.00 H new ATOM 0 HB1 ALA A 115 107.583 53.757 25.402 1.00 0.00 H new ATOM 0 HB2 ALA A 115 109.082 54.646 25.040 1.00 0.00 H new ATOM 0 HB3 ALA A 115 108.655 53.200 24.095 1.00 0.00 H new ATOM 1847 N GLU A 116 109.153 50.496 25.273 1.00 0.00 N ATOM 1848 CA GLU A 116 108.592 49.109 25.285 1.00 0.00 C ATOM 1849 C GLU A 116 109.711 48.089 25.514 1.00 0.00 C ATOM 1850 O GLU A 116 110.808 48.238 25.009 1.00 0.00 O ATOM 1851 CB GLU A 116 107.970 48.919 23.899 1.00 0.00 C ATOM 1852 CG GLU A 116 106.771 49.859 23.739 1.00 0.00 C ATOM 1853 CD GLU A 116 106.103 49.617 22.384 1.00 0.00 C ATOM 1854 OE1 GLU A 116 105.974 48.464 22.003 1.00 0.00 O ATOM 1855 OE2 GLU A 116 105.732 50.589 21.747 1.00 0.00 O ATOM 0 H GLU A 116 109.847 50.673 24.547 1.00 0.00 H new ATOM 0 HA GLU A 116 107.862 48.966 26.082 1.00 0.00 H new ATOM 0 HB2 GLU A 116 108.711 49.124 23.126 1.00 0.00 H new ATOM 0 HB3 GLU A 116 107.653 47.884 23.771 1.00 0.00 H new ATOM 0 HG2 GLU A 116 106.055 49.691 24.543 1.00 0.00 H new ATOM 0 HG3 GLU A 116 107.097 50.896 23.814 1.00 0.00 H new ATOM 1862 N PHE A 117 109.437 47.055 26.273 1.00 0.00 N ATOM 1863 CA PHE A 117 110.475 46.012 26.537 1.00 0.00 C ATOM 1864 C PHE A 117 109.822 44.631 26.666 1.00 0.00 C ATOM 1865 O PHE A 117 108.640 44.520 26.933 1.00 0.00 O ATOM 1866 CB PHE A 117 111.135 46.427 27.856 1.00 0.00 C ATOM 1867 CG PHE A 117 110.174 46.514 29.021 1.00 0.00 C ATOM 1868 CD1 PHE A 117 110.015 45.409 29.893 1.00 0.00 C ATOM 1869 CD2 PHE A 117 109.434 47.702 29.242 1.00 0.00 C ATOM 1870 CE1 PHE A 117 109.117 45.491 30.984 1.00 0.00 C ATOM 1871 CE2 PHE A 117 108.534 47.783 30.333 1.00 0.00 C ATOM 1872 CZ PHE A 117 108.376 46.678 31.204 1.00 0.00 C ATOM 0 H PHE A 117 108.536 46.889 26.722 1.00 0.00 H new ATOM 0 HA PHE A 117 111.201 45.941 25.727 1.00 0.00 H new ATOM 0 HB2 PHE A 117 111.921 45.712 28.099 1.00 0.00 H new ATOM 0 HB3 PHE A 117 111.616 47.396 27.721 1.00 0.00 H new ATOM 0 HD1 PHE A 117 110.579 44.504 29.725 1.00 0.00 H new ATOM 0 HD2 PHE A 117 109.556 48.546 28.579 1.00 0.00 H new ATOM 0 HE1 PHE A 117 108.997 44.648 31.649 1.00 0.00 H new ATOM 0 HE2 PHE A 117 107.968 48.688 30.500 1.00 0.00 H new ATOM 0 HZ PHE A 117 107.690 46.740 32.036 1.00 0.00 H new ATOM 1882 N ARG A 118 110.588 43.583 26.477 1.00 0.00 N ATOM 1883 CA ARG A 118 110.030 42.202 26.601 1.00 0.00 C ATOM 1884 C ARG A 118 111.023 41.290 27.330 1.00 0.00 C ATOM 1885 O ARG A 118 111.096 40.104 27.064 1.00 0.00 O ATOM 1886 CB ARG A 118 109.820 41.726 25.162 1.00 0.00 C ATOM 1887 CG ARG A 118 108.712 42.552 24.506 1.00 0.00 C ATOM 1888 CD ARG A 118 108.414 41.992 23.111 1.00 0.00 C ATOM 1889 NE ARG A 118 107.447 42.956 22.493 1.00 0.00 N ATOM 1890 CZ ARG A 118 106.723 42.624 21.440 1.00 0.00 C ATOM 1891 NH1 ARG A 118 106.822 41.440 20.880 1.00 0.00 N ATOM 1892 NH2 ARG A 118 105.891 43.496 20.941 1.00 0.00 N ATOM 0 H ARG A 118 111.579 43.627 26.241 1.00 0.00 H new ATOM 0 HA ARG A 118 109.104 42.183 27.175 1.00 0.00 H new ATOM 0 HB2 ARG A 118 110.746 41.826 24.596 1.00 0.00 H new ATOM 0 HB3 ARG A 118 109.554 40.669 25.153 1.00 0.00 H new ATOM 0 HG2 ARG A 118 107.812 42.525 25.120 1.00 0.00 H new ATOM 0 HG3 ARG A 118 109.017 43.596 24.433 1.00 0.00 H new ATOM 0 HD2 ARG A 118 109.324 41.913 22.517 1.00 0.00 H new ATOM 0 HD3 ARG A 118 107.986 40.991 23.173 1.00 0.00 H new ATOM 0 HE ARG A 118 107.346 43.888 22.894 1.00 0.00 H new ATOM 0 HH11 ARG A 118 107.471 40.750 21.258 1.00 0.00 H new ATOM 0 HH12 ARG A 118 106.250 41.211 20.067 1.00 0.00 H new ATOM 0 HH21 ARG A 118 105.806 44.420 21.364 1.00 0.00 H new ATOM 0 HH22 ARG A 118 105.325 43.254 20.128 1.00 0.00 H new ATOM 1906 N GLU A 119 111.787 41.837 28.246 1.00 0.00 N ATOM 1907 CA GLU A 119 112.793 41.010 28.989 1.00 0.00 C ATOM 1908 C GLU A 119 112.084 39.986 29.880 1.00 0.00 C ATOM 1909 O GLU A 119 112.566 38.884 30.073 1.00 0.00 O ATOM 1910 CB GLU A 119 113.588 42.003 29.845 1.00 0.00 C ATOM 1911 CG GLU A 119 114.401 42.926 28.935 1.00 0.00 C ATOM 1912 CD GLU A 119 115.256 43.863 29.791 1.00 0.00 C ATOM 1913 OE1 GLU A 119 116.450 43.631 29.875 1.00 0.00 O ATOM 1914 OE2 GLU A 119 114.701 44.796 30.348 1.00 0.00 O ATOM 0 H GLU A 119 111.758 42.821 28.512 1.00 0.00 H new ATOM 0 HA GLU A 119 113.440 40.452 28.312 1.00 0.00 H new ATOM 0 HB2 GLU A 119 112.910 42.590 30.464 1.00 0.00 H new ATOM 0 HB3 GLU A 119 114.252 41.465 30.522 1.00 0.00 H new ATOM 0 HG2 GLU A 119 115.038 42.336 28.276 1.00 0.00 H new ATOM 0 HG3 GLU A 119 113.734 43.506 28.298 1.00 0.00 H new ATOM 1921 N LYS A 120 110.946 40.344 30.423 1.00 0.00 N ATOM 1922 CA LYS A 120 110.191 39.399 31.302 1.00 0.00 C ATOM 1923 C LYS A 120 108.708 39.395 30.922 1.00 0.00 C ATOM 1924 O LYS A 120 108.099 40.437 30.759 1.00 0.00 O ATOM 1925 CB LYS A 120 110.383 39.942 32.720 1.00 0.00 C ATOM 1926 CG LYS A 120 109.842 38.930 33.733 1.00 0.00 C ATOM 1927 CD LYS A 120 109.982 39.498 35.147 1.00 0.00 C ATOM 1928 CE LYS A 120 109.599 38.425 36.169 1.00 0.00 C ATOM 1929 NZ LYS A 120 109.983 38.999 37.488 1.00 0.00 N ATOM 0 H LYS A 120 110.506 41.255 30.294 1.00 0.00 H new ATOM 0 HA LYS A 120 110.544 38.372 31.208 1.00 0.00 H new ATOM 0 HB2 LYS A 120 111.440 40.131 32.908 1.00 0.00 H new ATOM 0 HB3 LYS A 120 109.864 40.894 32.829 1.00 0.00 H new ATOM 0 HG2 LYS A 120 108.796 38.710 33.520 1.00 0.00 H new ATOM 0 HG3 LYS A 120 110.388 37.990 33.651 1.00 0.00 H new ATOM 0 HD2 LYS A 120 111.007 39.829 35.318 1.00 0.00 H new ATOM 0 HD3 LYS A 120 109.341 40.372 35.264 1.00 0.00 H new ATOM 0 HE2 LYS A 120 108.532 38.204 36.129 1.00 0.00 H new ATOM 0 HE3 LYS A 120 110.125 37.490 35.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 109.752 38.321 38.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 111.005 39.193 37.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 109.461 39.885 37.646 1.00 0.00 H new ATOM 1943 N ASP A 121 108.126 38.228 30.781 1.00 0.00 N ATOM 1944 CA ASP A 121 106.680 38.139 30.412 1.00 0.00 C ATOM 1945 C ASP A 121 105.890 37.454 31.530 1.00 0.00 C ATOM 1946 O ASP A 121 106.395 37.402 32.639 1.00 0.00 O ATOM 1947 CB ASP A 121 106.647 37.294 29.136 1.00 0.00 C ATOM 1948 CG ASP A 121 107.318 38.058 27.992 1.00 0.00 C ATOM 1949 OD1 ASP A 121 108.059 37.438 27.247 1.00 0.00 O ATOM 1950 OD2 ASP A 121 107.078 39.249 27.877 1.00 0.00 O ATOM 1951 OXT ASP A 121 104.794 36.993 31.257 1.00 0.00 O ATOM 0 H ASP A 121 108.594 37.330 30.906 1.00 0.00 H new ATOM 0 HA ASP A 121 106.231 39.121 30.262 1.00 0.00 H new ATOM 0 HB2 ASP A 121 107.159 36.346 29.303 1.00 0.00 H new ATOM 0 HB3 ASP A 121 105.616 37.057 28.872 1.00 0.00 H new TER 1956 ASP A 121