USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1061 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 70:sc= 0.567 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 28 HIS : no HE2:sc= 0.545 K(o=0.55,f=-1.9!) USER MOD Single : A 31 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-5.1!) USER MOD Single : A 33 GLN :FLIP amide:sc= -2.24 F(o=-5.7!,f=-2.2) USER MOD Single : A 35 SER OG : rot -44:sc= 0.743 USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-2) USER MOD Single : A 46 THR OG1 : rot -179:sc= 0.0389 USER MOD Single : A 57 THR OG1 : rot -82:sc= 0.35 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 100:sc= 0.343 USER MOD Single : A 78 THR OG1 : rot 68:sc= 1.09 USER MOD Single : A 79 MET CE :methyl -128:sc= -1.95 (180deg=-4.7!) USER MOD Single : A 87 THR OG1 : rot 81:sc= 0.273 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.161 F(o=-0.78,f=-0.16) USER MOD Single : A 89 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-4.4!) USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.646 F(o=-1.4!,f=-0.65) USER MOD Single : A 103 CYS SG : rot -86:sc= -3.91! USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 136:sc=-0.00845 (180deg=-0.957) USER MOD Single : A 113 CYS SG : rot 103:sc= -2.37 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 77:sc= 0.12 USER MOD Single : A 135 ASN : amide:sc= -0.0596 K(o=-0.06,f=-0.76) USER MOD Single : A 141 TYR OH : rot -15:sc= -0.2 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -2.638 13.808 9.954 1.00 70.20 N ATOM 21 CA ALA A 2 -1.817 13.599 8.733 1.00 12.31 C ATOM 22 C ALA A 2 -1.550 12.086 8.514 1.00 53.52 C ATOM 23 O ALA A 2 -0.506 11.685 7.982 1.00 3.42 O ATOM 24 CB ALA A 2 -0.505 14.404 8.832 1.00 13.44 C ATOM 0 HA ALA A 2 -2.365 13.963 7.864 1.00 12.31 H new ATOM 0 HB1 ALA A 2 0.089 14.244 7.932 1.00 13.44 H new ATOM 0 HB2 ALA A 2 -0.736 15.465 8.930 1.00 13.44 H new ATOM 0 HB3 ALA A 2 0.060 14.073 9.703 1.00 13.44 H new ATOM 30 N THR A 3 -2.547 11.253 8.891 1.00 22.02 N ATOM 31 CA THR A 3 -2.491 9.778 8.748 1.00 25.32 C ATOM 32 C THR A 3 -3.638 9.293 7.838 1.00 53.21 C ATOM 33 O THR A 3 -4.809 9.584 8.088 1.00 21.11 O ATOM 34 CB THR A 3 -2.573 9.035 10.130 1.00 73.44 C ATOM 35 OG1 THR A 3 -1.518 9.486 10.995 1.00 21.33 O ATOM 36 CG2 THR A 3 -2.475 7.498 9.981 1.00 2.14 C ATOM 0 H THR A 3 -3.418 11.586 9.305 1.00 22.02 H new ATOM 0 HA THR A 3 -1.526 9.538 8.301 1.00 25.32 H new ATOM 0 HB THR A 3 -3.547 9.272 10.558 1.00 73.44 H new ATOM 0 HG1 THR A 3 -1.578 9.019 11.855 1.00 21.33 H new ATOM 0 HG21 THR A 3 -2.537 7.032 10.965 1.00 2.14 H new ATOM 0 HG22 THR A 3 -3.294 7.140 9.358 1.00 2.14 H new ATOM 0 HG23 THR A 3 -1.525 7.237 9.515 1.00 2.14 H new ATOM 44 N LEU A 4 -3.269 8.567 6.780 1.00 64.33 N ATOM 45 CA LEU A 4 -4.202 7.939 5.824 1.00 10.11 C ATOM 46 C LEU A 4 -4.371 6.457 6.187 1.00 2.33 C ATOM 47 O LEU A 4 -3.407 5.806 6.588 1.00 34.33 O ATOM 48 CB LEU A 4 -3.657 8.052 4.362 1.00 3.31 C ATOM 49 CG LEU A 4 -3.841 9.417 3.630 1.00 35.24 C ATOM 50 CD1 LEU A 4 -3.250 10.598 4.422 1.00 24.14 C ATOM 51 CD2 LEU A 4 -3.237 9.357 2.212 1.00 74.04 C ATOM 0 H LEU A 4 -2.290 8.392 6.553 1.00 64.33 H new ATOM 0 HA LEU A 4 -5.161 8.454 5.880 1.00 10.11 H new ATOM 0 HB2 LEU A 4 -2.592 7.821 4.381 1.00 3.31 H new ATOM 0 HB3 LEU A 4 -4.140 7.281 3.762 1.00 3.31 H new ATOM 0 HG LEU A 4 -4.914 9.594 3.553 1.00 35.24 H new ATOM 0 HD11 LEU A 4 -3.406 11.523 3.867 1.00 24.14 H new ATOM 0 HD12 LEU A 4 -3.743 10.669 5.391 1.00 24.14 H new ATOM 0 HD13 LEU A 4 -2.182 10.439 4.569 1.00 24.14 H new ATOM 0 HD21 LEU A 4 -3.375 10.318 1.717 1.00 74.04 H new ATOM 0 HD22 LEU A 4 -2.172 9.133 2.279 1.00 74.04 H new ATOM 0 HD23 LEU A 4 -3.736 8.577 1.637 1.00 74.04 H new ATOM 63 N ARG A 5 -5.593 5.945 6.065 1.00 3.41 N ATOM 64 CA ARG A 5 -5.860 4.498 6.112 1.00 51.42 C ATOM 65 C ARG A 5 -7.018 4.157 5.165 1.00 21.33 C ATOM 66 O ARG A 5 -8.061 4.817 5.185 1.00 12.44 O ATOM 67 CB ARG A 5 -6.195 4.031 7.553 1.00 32.13 C ATOM 68 CG ARG A 5 -6.363 2.499 7.696 1.00 10.31 C ATOM 69 CD ARG A 5 -6.813 2.074 9.102 1.00 74.04 C ATOM 70 NE ARG A 5 -8.192 2.514 9.389 1.00 74.15 N ATOM 71 CZ ARG A 5 -8.731 2.613 10.582 1.00 22.41 C ATOM 72 NH1 ARG A 5 -8.048 2.371 11.655 1.00 31.14 N ATOM 73 NH2 ARG A 5 -9.965 2.969 10.692 1.00 4.52 N ATOM 0 H ARG A 5 -6.429 6.514 5.931 1.00 3.41 H new ATOM 0 HA ARG A 5 -4.959 3.974 5.793 1.00 51.42 H new ATOM 0 HB2 ARG A 5 -5.404 4.364 8.225 1.00 32.13 H new ATOM 0 HB3 ARG A 5 -7.114 4.519 7.877 1.00 32.13 H new ATOM 0 HG2 ARG A 5 -7.093 2.149 6.966 1.00 10.31 H new ATOM 0 HG3 ARG A 5 -5.417 2.012 7.460 1.00 10.31 H new ATOM 0 HD2 ARG A 5 -6.751 0.990 9.192 1.00 74.04 H new ATOM 0 HD3 ARG A 5 -6.135 2.495 9.844 1.00 74.04 H new ATOM 0 HE ARG A 5 -8.777 2.763 8.591 1.00 74.15 H new ATOM 0 HH11 ARG A 5 -7.068 2.096 11.585 1.00 31.14 H new ATOM 0 HH12 ARG A 5 -8.490 2.455 12.571 1.00 31.14 H new ATOM 0 HH21 ARG A 5 -10.514 3.171 9.856 1.00 4.52 H new ATOM 0 HH22 ARG A 5 -10.393 3.049 11.615 1.00 4.52 H new ATOM 87 N ARG A 6 -6.836 3.117 4.346 1.00 22.21 N ATOM 88 CA ARG A 6 -7.872 2.643 3.411 1.00 14.24 C ATOM 89 C ARG A 6 -7.982 1.113 3.506 1.00 2.52 C ATOM 90 O ARG A 6 -6.993 0.443 3.758 1.00 52.21 O ATOM 91 CB ARG A 6 -7.555 3.111 1.950 1.00 40.14 C ATOM 92 CG ARG A 6 -8.806 3.538 1.148 1.00 63.44 C ATOM 93 CD ARG A 6 -9.470 4.805 1.738 1.00 51.12 C ATOM 94 NE ARG A 6 -10.627 5.283 0.946 1.00 23.42 N ATOM 95 CZ ARG A 6 -11.492 6.196 1.349 1.00 21.24 C ATOM 96 NH1 ARG A 6 -11.408 6.737 2.528 1.00 25.14 N ATOM 97 NH2 ARG A 6 -12.438 6.575 0.556 1.00 53.25 N ATOM 0 H ARG A 6 -5.971 2.578 4.309 1.00 22.21 H new ATOM 0 HA ARG A 6 -8.834 3.076 3.684 1.00 14.24 H new ATOM 0 HB2 ARG A 6 -6.857 3.947 1.989 1.00 40.14 H new ATOM 0 HB3 ARG A 6 -7.053 2.302 1.420 1.00 40.14 H new ATOM 0 HG2 ARG A 6 -8.525 3.725 0.112 1.00 63.44 H new ATOM 0 HG3 ARG A 6 -9.528 2.721 1.140 1.00 63.44 H new ATOM 0 HD2 ARG A 6 -9.798 4.595 2.756 1.00 51.12 H new ATOM 0 HD3 ARG A 6 -8.727 5.601 1.800 1.00 51.12 H new ATOM 0 HE ARG A 6 -10.766 4.877 0.021 1.00 23.42 H new ATOM 0 HH11 ARG A 6 -10.662 6.458 3.165 1.00 25.14 H new ATOM 0 HH12 ARG A 6 -12.088 7.440 2.816 1.00 25.14 H new ATOM 0 HH21 ARG A 6 -12.515 6.170 -0.377 1.00 53.25 H new ATOM 0 HH22 ARG A 6 -13.109 7.280 0.862 1.00 53.25 H new ATOM 111 N SER A 7 -9.188 0.578 3.309 1.00 1.23 N ATOM 112 CA SER A 7 -9.474 -0.870 3.478 1.00 24.22 C ATOM 113 C SER A 7 -10.477 -1.369 2.418 1.00 52.41 C ATOM 114 O SER A 7 -11.335 -0.606 1.955 1.00 13.02 O ATOM 115 CB SER A 7 -10.016 -1.135 4.904 1.00 3.54 C ATOM 116 OG SER A 7 -11.192 -0.375 5.172 1.00 32.24 O ATOM 0 H SER A 7 -10.001 1.126 3.028 1.00 1.23 H new ATOM 0 HA SER A 7 -8.544 -1.422 3.340 1.00 24.22 H new ATOM 0 HB2 SER A 7 -10.235 -2.197 5.018 1.00 3.54 H new ATOM 0 HB3 SER A 7 -9.248 -0.887 5.637 1.00 3.54 H new ATOM 0 HG SER A 7 -11.507 -0.569 6.080 1.00 32.24 H new ATOM 122 N VAL A 8 -10.371 -2.659 2.044 1.00 24.25 N ATOM 123 CA VAL A 8 -11.226 -3.274 0.997 1.00 43.31 C ATOM 124 C VAL A 8 -11.631 -4.722 1.383 1.00 51.55 C ATOM 125 O VAL A 8 -10.881 -5.409 2.081 1.00 52.51 O ATOM 126 CB VAL A 8 -10.471 -3.270 -0.390 1.00 42.03 C ATOM 127 CG1 VAL A 8 -9.265 -4.254 -0.390 1.00 1.14 C ATOM 128 CG2 VAL A 8 -11.436 -3.539 -1.570 1.00 34.21 C ATOM 0 H VAL A 8 -9.696 -3.305 2.453 1.00 24.25 H new ATOM 0 HA VAL A 8 -12.137 -2.681 0.910 1.00 43.31 H new ATOM 0 HB VAL A 8 -10.066 -2.268 -0.534 1.00 42.03 H new ATOM 0 HG11 VAL A 8 -8.771 -4.223 -1.361 1.00 1.14 H new ATOM 0 HG12 VAL A 8 -8.558 -3.963 0.387 1.00 1.14 H new ATOM 0 HG13 VAL A 8 -9.621 -5.266 -0.196 1.00 1.14 H new ATOM 0 HG21 VAL A 8 -10.878 -3.528 -2.506 1.00 34.21 H new ATOM 0 HG22 VAL A 8 -11.907 -4.513 -1.440 1.00 34.21 H new ATOM 0 HG23 VAL A 8 -12.203 -2.765 -1.596 1.00 34.21 H new ATOM 138 N GLU A 9 -12.825 -5.166 0.942 1.00 21.54 N ATOM 139 CA GLU A 9 -13.267 -6.572 1.094 1.00 72.33 C ATOM 140 C GLU A 9 -12.660 -7.429 -0.036 1.00 24.31 C ATOM 141 O GLU A 9 -12.819 -7.105 -1.206 1.00 33.11 O ATOM 142 CB GLU A 9 -14.815 -6.681 1.053 1.00 73.52 C ATOM 143 CG GLU A 9 -15.550 -5.793 2.076 1.00 23.35 C ATOM 144 CD GLU A 9 -17.076 -6.018 2.104 1.00 1.21 C ATOM 145 OE1 GLU A 9 -17.710 -6.011 1.024 1.00 62.53 O ATOM 146 OE2 GLU A 9 -17.652 -6.173 3.207 1.00 2.14 O ATOM 0 H GLU A 9 -13.507 -4.568 0.474 1.00 21.54 H new ATOM 0 HA GLU A 9 -12.924 -6.935 2.063 1.00 72.33 H new ATOM 0 HB2 GLU A 9 -15.158 -6.419 0.052 1.00 73.52 H new ATOM 0 HB3 GLU A 9 -15.097 -7.720 1.225 1.00 73.52 H new ATOM 0 HG2 GLU A 9 -15.144 -5.985 3.069 1.00 23.35 H new ATOM 0 HG3 GLU A 9 -15.349 -4.746 1.847 1.00 23.35 H new ATOM 153 N VAL A 10 -11.929 -8.493 0.333 1.00 22.14 N ATOM 154 CA VAL A 10 -11.320 -9.449 -0.625 1.00 54.34 C ATOM 155 C VAL A 10 -11.860 -10.876 -0.365 1.00 61.41 C ATOM 156 O VAL A 10 -11.732 -11.397 0.747 1.00 32.23 O ATOM 157 CB VAL A 10 -9.747 -9.435 -0.505 1.00 43.11 C ATOM 158 CG1 VAL A 10 -9.090 -10.458 -1.465 1.00 34.52 C ATOM 159 CG2 VAL A 10 -9.190 -8.014 -0.755 1.00 20.15 C ATOM 0 H VAL A 10 -11.739 -8.722 1.309 1.00 22.14 H new ATOM 0 HA VAL A 10 -11.590 -9.143 -1.636 1.00 54.34 H new ATOM 0 HB VAL A 10 -9.494 -9.731 0.513 1.00 43.11 H new ATOM 0 HG11 VAL A 10 -8.007 -10.418 -1.353 1.00 34.52 H new ATOM 0 HG12 VAL A 10 -9.443 -11.461 -1.225 1.00 34.52 H new ATOM 0 HG13 VAL A 10 -9.357 -10.216 -2.493 1.00 34.52 H new ATOM 0 HG21 VAL A 10 -8.104 -8.028 -0.667 1.00 20.15 H new ATOM 0 HG22 VAL A 10 -9.469 -7.685 -1.756 1.00 20.15 H new ATOM 0 HG23 VAL A 10 -9.605 -7.326 -0.018 1.00 20.15 H new ATOM 169 N ALA A 11 -12.485 -11.493 -1.385 1.00 52.52 N ATOM 170 CA ALA A 11 -12.946 -12.900 -1.319 1.00 51.31 C ATOM 171 C ALA A 11 -11.754 -13.891 -1.474 1.00 72.42 C ATOM 172 O ALA A 11 -11.599 -14.547 -2.511 1.00 22.52 O ATOM 173 CB ALA A 11 -14.050 -13.142 -2.374 1.00 14.31 C ATOM 0 H ALA A 11 -12.686 -11.037 -2.275 1.00 52.52 H new ATOM 0 HA ALA A 11 -13.377 -13.087 -0.335 1.00 51.31 H new ATOM 0 HB1 ALA A 11 -14.384 -14.178 -2.320 1.00 14.31 H new ATOM 0 HB2 ALA A 11 -14.892 -12.478 -2.178 1.00 14.31 H new ATOM 0 HB3 ALA A 11 -13.653 -12.940 -3.369 1.00 14.31 H new ATOM 179 N ALA A 12 -10.903 -13.964 -0.426 1.00 65.12 N ATOM 180 CA ALA A 12 -9.669 -14.786 -0.420 1.00 1.10 C ATOM 181 C ALA A 12 -9.061 -14.883 1.003 1.00 72.04 C ATOM 182 O ALA A 12 -9.304 -13.999 1.838 1.00 52.41 O ATOM 183 CB ALA A 12 -8.621 -14.196 -1.385 1.00 43.04 C ATOM 0 H ALA A 12 -11.052 -13.453 0.444 1.00 65.12 H new ATOM 0 HA ALA A 12 -9.943 -15.788 -0.750 1.00 1.10 H new ATOM 0 HB1 ALA A 12 -7.722 -14.812 -1.367 1.00 43.04 H new ATOM 0 HB2 ALA A 12 -9.028 -14.176 -2.396 1.00 43.04 H new ATOM 0 HB3 ALA A 12 -8.371 -13.181 -1.075 1.00 43.04 H new ATOM 189 N PRO A 13 -8.275 -15.970 1.301 1.00 1.23 N ATOM 190 CA PRO A 13 -7.429 -16.041 2.521 1.00 34.12 C ATOM 191 C PRO A 13 -6.281 -14.989 2.506 1.00 34.21 C ATOM 192 O PRO A 13 -5.724 -14.686 1.439 1.00 62.41 O ATOM 193 CB PRO A 13 -6.852 -17.488 2.496 1.00 65.42 C ATOM 194 CG PRO A 13 -7.704 -18.241 1.513 1.00 43.30 C ATOM 195 CD PRO A 13 -8.174 -17.223 0.503 1.00 43.13 C ATOM 0 HA PRO A 13 -8.002 -15.822 3.422 1.00 34.12 H new ATOM 0 HB2 PRO A 13 -5.806 -17.488 2.190 1.00 65.42 H new ATOM 0 HB3 PRO A 13 -6.895 -17.945 3.484 1.00 65.42 H new ATOM 0 HG2 PRO A 13 -7.134 -19.035 1.030 1.00 43.30 H new ATOM 0 HG3 PRO A 13 -8.550 -18.714 2.012 1.00 43.30 H new ATOM 0 HD2 PRO A 13 -7.469 -17.119 -0.321 1.00 43.13 H new ATOM 0 HD3 PRO A 13 -9.134 -17.501 0.068 1.00 43.13 H new ATOM 203 N ALA A 14 -5.946 -14.442 3.698 1.00 54.54 N ATOM 204 CA ALA A 14 -4.829 -13.472 3.895 1.00 52.41 C ATOM 205 C ALA A 14 -3.464 -13.951 3.318 1.00 14.11 C ATOM 206 O ALA A 14 -2.646 -13.130 2.893 1.00 45.05 O ATOM 207 CB ALA A 14 -4.689 -13.144 5.399 1.00 13.43 C ATOM 0 H ALA A 14 -6.444 -14.660 4.561 1.00 54.54 H new ATOM 0 HA ALA A 14 -5.091 -12.577 3.330 1.00 52.41 H new ATOM 0 HB1 ALA A 14 -3.873 -12.436 5.542 1.00 13.43 H new ATOM 0 HB2 ALA A 14 -5.618 -12.706 5.764 1.00 13.43 H new ATOM 0 HB3 ALA A 14 -4.477 -14.059 5.953 1.00 13.43 H new ATOM 213 N ALA A 15 -3.234 -15.280 3.326 1.00 10.32 N ATOM 214 CA ALA A 15 -1.996 -15.901 2.783 1.00 60.02 C ATOM 215 C ALA A 15 -1.853 -15.696 1.257 1.00 72.24 C ATOM 216 O ALA A 15 -0.780 -15.310 0.779 1.00 21.02 O ATOM 217 CB ALA A 15 -1.961 -17.399 3.122 1.00 53.35 C ATOM 0 H ALA A 15 -3.896 -15.956 3.707 1.00 10.32 H new ATOM 0 HA ALA A 15 -1.151 -15.400 3.256 1.00 60.02 H new ATOM 0 HB1 ALA A 15 -1.050 -17.842 2.719 1.00 53.35 H new ATOM 0 HB2 ALA A 15 -1.979 -17.528 4.204 1.00 53.35 H new ATOM 0 HB3 ALA A 15 -2.829 -17.892 2.683 1.00 53.35 H new ATOM 223 N ASP A 16 -2.935 -15.996 0.499 1.00 15.03 N ATOM 224 CA ASP A 16 -2.998 -15.756 -0.969 1.00 31.40 C ATOM 225 C ASP A 16 -2.654 -14.296 -1.329 1.00 12.45 C ATOM 226 O ASP A 16 -1.888 -14.035 -2.266 1.00 72.21 O ATOM 227 CB ASP A 16 -4.409 -16.107 -1.508 1.00 34.41 C ATOM 228 CG ASP A 16 -4.730 -17.601 -1.390 1.00 61.14 C ATOM 229 OD1 ASP A 16 -4.822 -18.109 -0.254 1.00 31.14 O ATOM 230 OD2 ASP A 16 -4.881 -18.283 -2.424 1.00 41.14 O ATOM 0 H ASP A 16 -3.785 -16.409 0.882 1.00 15.03 H new ATOM 0 HA ASP A 16 -2.254 -16.401 -1.436 1.00 31.40 H new ATOM 0 HB2 ASP A 16 -5.156 -15.534 -0.959 1.00 34.41 H new ATOM 0 HB3 ASP A 16 -4.480 -15.805 -2.553 1.00 34.41 H new ATOM 235 N VAL A 17 -3.211 -13.359 -0.551 1.00 11.21 N ATOM 236 CA VAL A 17 -3.002 -11.916 -0.758 1.00 33.02 C ATOM 237 C VAL A 17 -1.563 -11.489 -0.363 1.00 14.34 C ATOM 238 O VAL A 17 -0.992 -10.594 -0.983 1.00 55.04 O ATOM 239 CB VAL A 17 -4.055 -11.058 0.019 1.00 14.13 C ATOM 240 CG1 VAL A 17 -3.919 -9.560 -0.351 1.00 42.10 C ATOM 241 CG2 VAL A 17 -5.499 -11.575 -0.233 1.00 0.22 C ATOM 0 H VAL A 17 -3.818 -13.577 0.239 1.00 11.21 H new ATOM 0 HA VAL A 17 -3.136 -11.729 -1.823 1.00 33.02 H new ATOM 0 HB VAL A 17 -3.855 -11.160 1.086 1.00 14.13 H new ATOM 0 HG11 VAL A 17 -4.660 -8.980 0.200 1.00 42.10 H new ATOM 0 HG12 VAL A 17 -2.919 -9.211 -0.092 1.00 42.10 H new ATOM 0 HG13 VAL A 17 -4.082 -9.433 -1.421 1.00 42.10 H new ATOM 0 HG21 VAL A 17 -6.208 -10.959 0.320 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -5.724 -11.520 -1.298 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -5.579 -12.609 0.102 1.00 0.22 H new ATOM 251 N TRP A 18 -0.984 -12.125 0.679 1.00 53.34 N ATOM 252 CA TRP A 18 0.426 -11.876 1.087 1.00 3.55 C ATOM 253 C TRP A 18 1.424 -12.382 0.012 1.00 43.23 C ATOM 254 O TRP A 18 2.507 -11.823 -0.153 1.00 44.25 O ATOM 255 CB TRP A 18 0.738 -12.515 2.473 1.00 52.15 C ATOM 256 CG TRP A 18 2.156 -12.241 2.967 1.00 34.45 C ATOM 257 CD1 TRP A 18 3.165 -13.149 3.166 1.00 40.20 C ATOM 258 CD2 TRP A 18 2.723 -10.951 3.271 1.00 41.42 C ATOM 259 NE1 TRP A 18 4.303 -12.507 3.590 1.00 11.42 N ATOM 260 CE2 TRP A 18 4.057 -11.157 3.661 1.00 74.13 C ATOM 261 CE3 TRP A 18 2.224 -9.644 3.254 1.00 21.00 C ATOM 262 CZ2 TRP A 18 4.900 -10.106 4.031 1.00 60.15 C ATOM 263 CZ3 TRP A 18 3.059 -8.600 3.620 1.00 63.41 C ATOM 264 CH2 TRP A 18 4.387 -8.836 4.003 1.00 54.33 C ATOM 0 H TRP A 18 -1.466 -12.815 1.255 1.00 53.34 H new ATOM 0 HA TRP A 18 0.550 -10.797 1.179 1.00 3.55 H new ATOM 0 HB2 TRP A 18 0.027 -12.136 3.207 1.00 52.15 H new ATOM 0 HB3 TRP A 18 0.586 -13.593 2.409 1.00 52.15 H new ATOM 0 HD1 TRP A 18 3.077 -14.214 3.012 1.00 40.20 H new ATOM 0 HE1 TRP A 18 5.189 -12.960 3.816 1.00 11.42 H new ATOM 0 HE3 TRP A 18 1.203 -9.451 2.960 1.00 21.00 H new ATOM 0 HZ2 TRP A 18 5.922 -10.289 4.329 1.00 60.15 H new ATOM 0 HZ3 TRP A 18 2.681 -7.588 3.610 1.00 63.41 H new ATOM 0 HH2 TRP A 18 5.016 -8.003 4.280 1.00 54.33 H new ATOM 275 N THR A 19 1.051 -13.450 -0.713 1.00 4.43 N ATOM 276 CA THR A 19 1.823 -13.945 -1.885 1.00 10.23 C ATOM 277 C THR A 19 1.772 -12.926 -3.070 1.00 60.25 C ATOM 278 O THR A 19 2.617 -12.942 -3.967 1.00 22.50 O ATOM 279 CB THR A 19 1.267 -15.344 -2.343 1.00 34.55 C ATOM 280 OG1 THR A 19 1.198 -16.236 -1.213 1.00 45.24 O ATOM 281 CG2 THR A 19 2.127 -16.012 -3.433 1.00 34.22 C ATOM 0 H THR A 19 0.214 -13.997 -0.512 1.00 4.43 H new ATOM 0 HA THR A 19 2.865 -14.055 -1.584 1.00 10.23 H new ATOM 0 HB THR A 19 0.279 -15.157 -2.764 1.00 34.55 H new ATOM 0 HG1 THR A 19 0.492 -15.937 -0.603 1.00 45.24 H new ATOM 0 HG21 THR A 19 1.689 -16.973 -3.704 1.00 34.22 H new ATOM 0 HG22 THR A 19 2.164 -15.369 -4.312 1.00 34.22 H new ATOM 0 HG23 THR A 19 3.137 -16.168 -3.055 1.00 34.22 H new ATOM 289 N LEU A 20 0.749 -12.057 -3.057 1.00 1.24 N ATOM 290 CA LEU A 20 0.553 -10.994 -4.065 1.00 32.44 C ATOM 291 C LEU A 20 1.292 -9.666 -3.698 1.00 61.23 C ATOM 292 O LEU A 20 1.991 -9.094 -4.535 1.00 44.02 O ATOM 293 CB LEU A 20 -0.969 -10.757 -4.227 1.00 54.40 C ATOM 294 CG LEU A 20 -1.409 -9.678 -5.256 1.00 24.20 C ATOM 295 CD1 LEU A 20 -0.933 -10.014 -6.683 1.00 4.34 C ATOM 296 CD2 LEU A 20 -2.933 -9.477 -5.213 1.00 32.01 C ATOM 0 H LEU A 20 0.024 -12.070 -2.339 1.00 1.24 H new ATOM 0 HA LEU A 20 0.991 -11.323 -5.007 1.00 32.44 H new ATOM 0 HB2 LEU A 20 -1.431 -11.703 -4.509 1.00 54.40 H new ATOM 0 HB3 LEU A 20 -1.375 -10.482 -3.253 1.00 54.40 H new ATOM 0 HG LEU A 20 -0.930 -8.741 -4.973 1.00 24.20 H new ATOM 0 HD11 LEU A 20 -1.262 -9.234 -7.369 1.00 4.34 H new ATOM 0 HD12 LEU A 20 0.155 -10.075 -6.699 1.00 4.34 H new ATOM 0 HD13 LEU A 20 -1.355 -10.971 -6.991 1.00 4.34 H new ATOM 0 HD21 LEU A 20 -3.221 -8.718 -5.940 1.00 32.01 H new ATOM 0 HD22 LEU A 20 -3.431 -10.417 -5.453 1.00 32.01 H new ATOM 0 HD23 LEU A 20 -3.229 -9.154 -4.215 1.00 32.01 H new ATOM 308 N VAL A 21 1.103 -9.175 -2.455 1.00 72.32 N ATOM 309 CA VAL A 21 1.662 -7.860 -1.998 1.00 41.45 C ATOM 310 C VAL A 21 3.031 -7.980 -1.283 1.00 42.23 C ATOM 311 O VAL A 21 3.828 -7.035 -1.309 1.00 42.34 O ATOM 312 CB VAL A 21 0.658 -7.098 -1.045 1.00 1.44 C ATOM 313 CG1 VAL A 21 -0.682 -6.824 -1.760 1.00 0.43 C ATOM 314 CG2 VAL A 21 0.431 -7.854 0.298 1.00 2.52 C ATOM 0 H VAL A 21 0.567 -9.663 -1.738 1.00 72.32 H new ATOM 0 HA VAL A 21 1.812 -7.291 -2.915 1.00 41.45 H new ATOM 0 HB VAL A 21 1.117 -6.141 -0.797 1.00 1.44 H new ATOM 0 HG11 VAL A 21 -1.355 -6.299 -1.082 1.00 0.43 H new ATOM 0 HG12 VAL A 21 -0.504 -6.210 -2.643 1.00 0.43 H new ATOM 0 HG13 VAL A 21 -1.134 -7.769 -2.060 1.00 0.43 H new ATOM 0 HG21 VAL A 21 -0.266 -7.291 0.919 1.00 2.52 H new ATOM 0 HG22 VAL A 21 0.019 -8.842 0.094 1.00 2.52 H new ATOM 0 HG23 VAL A 21 1.381 -7.958 0.822 1.00 2.52 H new ATOM 324 N GLY A 22 3.296 -9.149 -0.672 1.00 25.21 N ATOM 325 CA GLY A 22 4.394 -9.324 0.302 1.00 33.32 C ATOM 326 C GLY A 22 5.814 -9.265 -0.258 1.00 60.23 C ATOM 327 O GLY A 22 6.788 -9.201 0.512 1.00 45.33 O ATOM 0 H GLY A 22 2.757 -9.999 -0.838 1.00 25.21 H new ATOM 0 HA2 GLY A 22 4.297 -8.555 1.068 1.00 33.32 H new ATOM 0 HA3 GLY A 22 4.262 -10.286 0.797 1.00 33.32 H new ATOM 331 N ASP A 23 5.937 -9.307 -1.586 1.00 41.40 N ATOM 332 CA ASP A 23 7.232 -9.193 -2.273 1.00 54.21 C ATOM 333 C ASP A 23 7.704 -7.722 -2.373 1.00 13.05 C ATOM 334 O ASP A 23 8.867 -7.486 -2.688 1.00 53.32 O ATOM 335 CB ASP A 23 7.136 -9.818 -3.688 1.00 61.14 C ATOM 336 CG ASP A 23 6.468 -11.205 -3.694 1.00 70.31 C ATOM 337 OD1 ASP A 23 5.220 -11.281 -3.812 1.00 53.15 O ATOM 338 OD2 ASP A 23 7.181 -12.221 -3.564 1.00 22.31 O ATOM 0 H ASP A 23 5.145 -9.421 -2.218 1.00 41.40 H new ATOM 0 HA ASP A 23 7.970 -9.736 -1.683 1.00 54.21 H new ATOM 0 HB2 ASP A 23 6.572 -9.148 -4.337 1.00 61.14 H new ATOM 0 HB3 ASP A 23 8.138 -9.902 -4.110 1.00 61.14 H new ATOM 343 N PHE A 24 6.782 -6.755 -2.109 1.00 52.15 N ATOM 344 CA PHE A 24 7.015 -5.286 -2.240 1.00 72.21 C ATOM 345 C PHE A 24 7.089 -4.857 -3.736 1.00 42.21 C ATOM 346 O PHE A 24 6.276 -4.053 -4.201 1.00 22.21 O ATOM 347 CB PHE A 24 8.267 -4.821 -1.423 1.00 40.21 C ATOM 348 CG PHE A 24 8.557 -3.319 -1.448 1.00 11.11 C ATOM 349 CD1 PHE A 24 7.591 -2.396 -1.047 1.00 51.43 C ATOM 350 CD2 PHE A 24 9.801 -2.829 -1.852 1.00 15.54 C ATOM 351 CE1 PHE A 24 7.859 -1.040 -1.054 1.00 50.24 C ATOM 352 CE2 PHE A 24 10.062 -1.474 -1.858 1.00 55.40 C ATOM 353 CZ PHE A 24 9.091 -0.576 -1.458 1.00 74.41 C ATOM 0 H PHE A 24 5.838 -6.978 -1.793 1.00 52.15 H new ATOM 0 HA PHE A 24 6.156 -4.775 -1.804 1.00 72.21 H new ATOM 0 HB2 PHE A 24 8.136 -5.130 -0.386 1.00 40.21 H new ATOM 0 HB3 PHE A 24 9.142 -5.347 -1.804 1.00 40.21 H new ATOM 0 HD1 PHE A 24 6.621 -2.746 -0.727 1.00 51.43 H new ATOM 0 HD2 PHE A 24 10.570 -3.521 -2.164 1.00 15.54 H new ATOM 0 HE1 PHE A 24 7.098 -0.341 -0.741 1.00 50.24 H new ATOM 0 HE2 PHE A 24 11.029 -1.114 -2.177 1.00 55.40 H new ATOM 0 HZ PHE A 24 9.297 0.484 -1.462 1.00 74.41 H new ATOM 363 N SER A 25 8.041 -5.436 -4.484 1.00 35.23 N ATOM 364 CA SER A 25 8.189 -5.240 -5.954 1.00 3.52 C ATOM 365 C SER A 25 6.966 -5.743 -6.765 1.00 15.31 C ATOM 366 O SER A 25 6.746 -5.309 -7.904 1.00 25.33 O ATOM 367 CB SER A 25 9.442 -5.984 -6.446 1.00 14.51 C ATOM 368 OG SER A 25 9.340 -7.381 -6.229 1.00 2.01 O ATOM 0 H SER A 25 8.743 -6.063 -4.091 1.00 35.23 H new ATOM 0 HA SER A 25 8.272 -4.166 -6.118 1.00 3.52 H new ATOM 0 HB2 SER A 25 9.587 -5.790 -7.509 1.00 14.51 H new ATOM 0 HB3 SER A 25 10.321 -5.598 -5.929 1.00 14.51 H new ATOM 0 HG SER A 25 10.152 -7.823 -6.555 1.00 2.01 H new ATOM 374 N ALA A 26 6.133 -6.607 -6.143 1.00 1.14 N ATOM 375 CA ALA A 26 5.075 -7.380 -6.836 1.00 44.33 C ATOM 376 C ALA A 26 3.809 -6.548 -7.102 1.00 51.25 C ATOM 377 O ALA A 26 2.795 -7.082 -7.568 1.00 74.32 O ATOM 378 CB ALA A 26 4.723 -8.610 -6.004 1.00 31.24 C ATOM 0 H ALA A 26 6.175 -6.789 -5.140 1.00 1.14 H new ATOM 0 HA ALA A 26 5.469 -7.677 -7.808 1.00 44.33 H new ATOM 0 HB1 ALA A 26 3.945 -9.181 -6.510 1.00 31.24 H new ATOM 0 HB2 ALA A 26 5.609 -9.233 -5.882 1.00 31.24 H new ATOM 0 HB3 ALA A 26 4.363 -8.296 -5.024 1.00 31.24 H new ATOM 384 N ILE A 27 3.885 -5.238 -6.824 1.00 61.52 N ATOM 385 CA ILE A 27 2.780 -4.300 -7.034 1.00 51.52 C ATOM 386 C ILE A 27 2.365 -4.210 -8.533 1.00 23.43 C ATOM 387 O ILE A 27 1.213 -3.899 -8.851 1.00 63.03 O ATOM 388 CB ILE A 27 3.141 -2.885 -6.452 1.00 63.40 C ATOM 389 CG1 ILE A 27 1.860 -2.008 -6.367 1.00 1.53 C ATOM 390 CG2 ILE A 27 4.270 -2.202 -7.267 1.00 21.04 C ATOM 391 CD1 ILE A 27 2.018 -0.635 -5.749 1.00 31.35 C ATOM 0 H ILE A 27 4.724 -4.799 -6.444 1.00 61.52 H new ATOM 0 HA ILE A 27 1.915 -4.683 -6.493 1.00 51.52 H new ATOM 0 HB ILE A 27 3.532 -3.010 -5.442 1.00 63.40 H new ATOM 0 HG12 ILE A 27 1.464 -1.884 -7.375 1.00 1.53 H new ATOM 0 HG13 ILE A 27 1.110 -2.555 -5.795 1.00 1.53 H new ATOM 0 HG21 ILE A 27 4.492 -1.226 -6.835 1.00 21.04 H new ATOM 0 HG22 ILE A 27 5.165 -2.823 -7.240 1.00 21.04 H new ATOM 0 HG23 ILE A 27 3.947 -2.076 -8.301 1.00 21.04 H new ATOM 0 HD11 ILE A 27 1.055 -0.124 -5.748 1.00 31.35 H new ATOM 0 HD12 ILE A 27 2.376 -0.736 -4.725 1.00 31.35 H new ATOM 0 HD13 ILE A 27 2.736 -0.055 -6.329 1.00 31.35 H new ATOM 403 N HIS A 28 3.306 -4.559 -9.445 1.00 3.00 N ATOM 404 CA HIS A 28 3.061 -4.572 -10.910 1.00 5.10 C ATOM 405 C HIS A 28 2.111 -5.724 -11.363 1.00 53.54 C ATOM 406 O HIS A 28 1.776 -5.823 -12.546 1.00 55.42 O ATOM 407 CB HIS A 28 4.414 -4.618 -11.678 1.00 20.32 C ATOM 408 CG HIS A 28 5.193 -5.902 -11.532 1.00 12.31 C ATOM 409 ND1 HIS A 28 6.156 -6.104 -10.568 1.00 55.45 N ATOM 410 CD2 HIS A 28 5.141 -7.051 -12.245 1.00 54.15 C ATOM 411 CE1 HIS A 28 6.646 -7.320 -10.686 1.00 34.21 C ATOM 412 NE2 HIS A 28 6.048 -7.913 -11.694 1.00 24.30 N ATOM 0 H HIS A 28 4.253 -4.838 -9.188 1.00 3.00 H new ATOM 0 HA HIS A 28 2.542 -3.646 -11.157 1.00 5.10 H new ATOM 0 HB2 HIS A 28 4.218 -4.449 -12.737 1.00 20.32 H new ATOM 0 HB3 HIS A 28 5.037 -3.793 -11.333 1.00 20.32 H new ATOM 0 HD1 HIS A 28 6.445 -5.418 -9.871 1.00 55.45 H new ATOM 0 HD2 HIS A 28 4.502 -7.250 -13.092 1.00 54.15 H new ATOM 0 HE1 HIS A 28 7.410 -7.756 -10.060 1.00 34.21 H new ATOM 421 N ARG A 29 1.708 -6.589 -10.414 1.00 14.43 N ATOM 422 CA ARG A 29 0.799 -7.732 -10.666 1.00 22.11 C ATOM 423 C ARG A 29 -0.696 -7.377 -10.419 1.00 11.20 C ATOM 424 O ARG A 29 -1.578 -8.004 -11.013 1.00 1.15 O ATOM 425 CB ARG A 29 1.235 -8.928 -9.764 1.00 3.32 C ATOM 426 CG ARG A 29 2.609 -9.547 -10.137 1.00 52.23 C ATOM 427 CD ARG A 29 3.232 -10.378 -8.994 1.00 53.41 C ATOM 428 NE ARG A 29 2.315 -11.394 -8.442 1.00 13.13 N ATOM 429 CZ ARG A 29 2.426 -11.959 -7.249 1.00 55.15 C ATOM 430 NH1 ARG A 29 3.420 -11.687 -6.454 1.00 22.33 N ATOM 431 NH2 ARG A 29 1.530 -12.807 -6.866 1.00 14.10 N ATOM 0 H ARG A 29 2.005 -6.517 -9.441 1.00 14.43 H new ATOM 0 HA ARG A 29 0.878 -8.002 -11.719 1.00 22.11 H new ATOM 0 HB2 ARG A 29 1.272 -8.591 -8.728 1.00 3.32 H new ATOM 0 HB3 ARG A 29 0.473 -9.706 -9.820 1.00 3.32 H new ATOM 0 HG2 ARG A 29 2.488 -10.182 -11.015 1.00 52.23 H new ATOM 0 HG3 ARG A 29 3.297 -8.748 -10.414 1.00 52.23 H new ATOM 0 HD2 ARG A 29 4.131 -10.872 -9.362 1.00 53.41 H new ATOM 0 HD3 ARG A 29 3.543 -9.706 -8.194 1.00 53.41 H new ATOM 0 HE ARG A 29 1.532 -11.685 -9.027 1.00 13.13 H new ATOM 0 HH11 ARG A 29 4.139 -11.024 -6.744 1.00 22.33 H new ATOM 0 HH12 ARG A 29 3.480 -12.137 -5.541 1.00 22.33 H new ATOM 0 HH21 ARG A 29 0.748 -13.035 -7.480 1.00 14.10 H new ATOM 0 HH22 ARG A 29 1.605 -13.249 -5.950 1.00 14.10 H new ATOM 445 N TRP A 30 -0.980 -6.371 -9.555 1.00 65.21 N ATOM 446 CA TRP A 30 -2.378 -6.068 -9.112 1.00 73.43 C ATOM 447 C TRP A 30 -2.800 -4.593 -9.306 1.00 64.52 C ATOM 448 O TRP A 30 -3.977 -4.321 -9.588 1.00 61.01 O ATOM 449 CB TRP A 30 -2.580 -6.481 -7.628 1.00 31.01 C ATOM 450 CG TRP A 30 -1.596 -5.884 -6.638 1.00 60.12 C ATOM 451 CD1 TRP A 30 -0.333 -6.325 -6.369 1.00 50.51 C ATOM 452 CD2 TRP A 30 -1.810 -4.760 -5.762 1.00 75.02 C ATOM 453 NE1 TRP A 30 0.234 -5.559 -5.391 1.00 65.03 N ATOM 454 CE2 TRP A 30 -0.644 -4.595 -5.003 1.00 10.51 C ATOM 455 CE3 TRP A 30 -2.876 -3.882 -5.549 1.00 24.50 C ATOM 456 CZ2 TRP A 30 -0.508 -3.595 -4.043 1.00 41.20 C ATOM 457 CZ3 TRP A 30 -2.740 -2.887 -4.599 1.00 54.11 C ATOM 458 CH2 TRP A 30 -1.563 -2.752 -3.854 1.00 43.30 C ATOM 0 H TRP A 30 -0.273 -5.757 -9.151 1.00 65.21 H new ATOM 0 HA TRP A 30 -3.024 -6.659 -9.762 1.00 73.43 H new ATOM 0 HB2 TRP A 30 -3.588 -6.198 -7.325 1.00 31.01 H new ATOM 0 HB3 TRP A 30 -2.520 -7.567 -7.561 1.00 31.01 H new ATOM 0 HD1 TRP A 30 0.148 -7.159 -6.858 1.00 50.51 H new ATOM 0 HE1 TRP A 30 1.171 -5.689 -5.010 1.00 65.03 H new ATOM 0 HE3 TRP A 30 -3.790 -3.979 -6.116 1.00 24.50 H new ATOM 0 HZ2 TRP A 30 0.401 -3.491 -3.469 1.00 41.20 H new ATOM 0 HZ3 TRP A 30 -3.557 -2.201 -4.429 1.00 54.11 H new ATOM 0 HH2 TRP A 30 -1.489 -1.966 -3.117 1.00 43.30 H new ATOM 469 N HIS A 31 -1.862 -3.641 -9.142 1.00 44.12 N ATOM 470 CA HIS A 31 -2.200 -2.196 -9.096 1.00 63.13 C ATOM 471 C HIS A 31 -2.441 -1.632 -10.536 1.00 60.04 C ATOM 472 O HIS A 31 -1.732 -2.021 -11.465 1.00 63.15 O ATOM 473 CB HIS A 31 -1.072 -1.409 -8.373 1.00 62.12 C ATOM 474 CG HIS A 31 -1.522 -0.100 -7.770 1.00 34.24 C ATOM 475 ND1 HIS A 31 -1.723 1.027 -8.531 1.00 1.31 N ATOM 476 CD2 HIS A 31 -1.831 0.185 -6.484 1.00 5.21 C ATOM 477 CE1 HIS A 31 -2.156 1.953 -7.692 1.00 71.02 C ATOM 478 NE2 HIS A 31 -2.238 1.490 -6.445 1.00 21.12 N ATOM 0 H HIS A 31 -0.867 -3.840 -9.039 1.00 44.12 H new ATOM 0 HA HIS A 31 -3.126 -2.073 -8.534 1.00 63.13 H new ATOM 0 HB2 HIS A 31 -0.655 -2.035 -7.585 1.00 62.12 H new ATOM 0 HB3 HIS A 31 -0.268 -1.212 -9.083 1.00 62.12 H new ATOM 0 HD2 HIS A 31 -1.768 -0.492 -5.645 1.00 5.21 H new ATOM 0 HE1 HIS A 31 -2.412 2.961 -7.982 1.00 71.02 H new ATOM 0 HE2 HIS A 31 -2.545 2.008 -5.622 1.00 21.12 H new ATOM 486 N PRO A 32 -3.468 -0.750 -10.771 1.00 45.52 N ATOM 487 CA PRO A 32 -3.671 -0.104 -12.101 1.00 52.42 C ATOM 488 C PRO A 32 -2.614 0.998 -12.440 1.00 3.31 C ATOM 489 O PRO A 32 -2.179 1.105 -13.593 1.00 54.52 O ATOM 490 CB PRO A 32 -5.116 0.483 -12.007 1.00 25.11 C ATOM 491 CG PRO A 32 -5.712 -0.138 -10.771 1.00 34.33 C ATOM 492 CD PRO A 32 -4.552 -0.383 -9.836 1.00 12.20 C ATOM 0 HA PRO A 32 -3.546 -0.820 -12.913 1.00 52.42 H new ATOM 0 HB2 PRO A 32 -5.096 1.570 -11.931 1.00 25.11 H new ATOM 0 HB3 PRO A 32 -5.700 0.236 -12.893 1.00 25.11 H new ATOM 0 HG2 PRO A 32 -6.448 0.525 -10.316 1.00 34.33 H new ATOM 0 HG3 PRO A 32 -6.226 -1.069 -11.010 1.00 34.33 H new ATOM 0 HD2 PRO A 32 -4.304 0.505 -9.254 1.00 12.20 H new ATOM 0 HD3 PRO A 32 -4.764 -1.182 -9.125 1.00 12.20 H new ATOM 500 N GLN A 33 -2.190 1.800 -11.427 1.00 34.23 N ATOM 501 CA GLN A 33 -1.315 2.999 -11.651 1.00 42.13 C ATOM 502 C GLN A 33 0.171 2.617 -11.869 1.00 42.10 C ATOM 503 O GLN A 33 0.932 3.404 -12.447 1.00 13.14 O ATOM 504 CB GLN A 33 -1.403 4.028 -10.467 1.00 35.43 C ATOM 505 CG GLN A 33 -2.632 4.991 -10.421 1.00 12.42 C ATOM 506 CD GLN A 33 -3.952 4.393 -9.899 1.00 62.21 C ATOM 507 OE1 GLN A 33 -4.379 3.269 -10.414 1.00 43.02 O flip ATOM 508 NE2 GLN A 33 -4.655 5.021 -9.117 1.00 54.54 N flip ATOM 0 H GLN A 33 -2.435 1.645 -10.449 1.00 34.23 H new ATOM 0 HA GLN A 33 -1.697 3.464 -12.560 1.00 42.13 H new ATOM 0 HB2 GLN A 33 -1.385 3.465 -9.534 1.00 35.43 H new ATOM 0 HB3 GLN A 33 -0.501 4.639 -10.488 1.00 35.43 H new ATOM 0 HG2 GLN A 33 -2.373 5.845 -9.796 1.00 12.42 H new ATOM 0 HG3 GLN A 33 -2.804 5.373 -11.427 1.00 12.42 H new ATOM 0 HE21 GLN A 33 -4.317 5.897 -8.718 1.00 54.54 H new ATOM 0 HE22 GLN A 33 -5.578 4.668 -8.865 1.00 54.54 H new ATOM 517 N VAL A 34 0.579 1.430 -11.385 1.00 61.31 N ATOM 518 CA VAL A 34 1.994 0.968 -11.464 1.00 74.25 C ATOM 519 C VAL A 34 2.495 0.823 -12.935 1.00 23.30 C ATOM 520 O VAL A 34 1.756 0.393 -13.826 1.00 74.10 O ATOM 521 CB VAL A 34 2.188 -0.385 -10.688 1.00 72.43 C ATOM 522 CG1 VAL A 34 1.303 -1.497 -11.287 1.00 21.43 C ATOM 523 CG2 VAL A 34 3.679 -0.815 -10.638 1.00 43.13 C ATOM 0 H VAL A 34 -0.047 0.765 -10.932 1.00 61.31 H new ATOM 0 HA VAL A 34 2.599 1.740 -10.989 1.00 74.25 H new ATOM 0 HB VAL A 34 1.869 -0.219 -9.659 1.00 72.43 H new ATOM 0 HG11 VAL A 34 1.456 -2.423 -10.732 1.00 21.43 H new ATOM 0 HG12 VAL A 34 0.255 -1.203 -11.221 1.00 21.43 H new ATOM 0 HG13 VAL A 34 1.571 -1.652 -12.332 1.00 21.43 H new ATOM 0 HG21 VAL A 34 3.769 -1.755 -10.093 1.00 43.13 H new ATOM 0 HG22 VAL A 34 4.054 -0.947 -11.653 1.00 43.13 H new ATOM 0 HG23 VAL A 34 4.263 -0.045 -10.133 1.00 43.13 H new ATOM 533 N SER A 35 3.770 1.189 -13.161 1.00 51.30 N ATOM 534 CA SER A 35 4.402 1.212 -14.504 1.00 2.45 C ATOM 535 C SER A 35 5.567 0.191 -14.607 1.00 13.44 C ATOM 536 O SER A 35 6.479 0.367 -15.424 1.00 13.41 O ATOM 537 CB SER A 35 4.909 2.652 -14.768 1.00 74.23 C ATOM 538 OG SER A 35 5.454 2.797 -16.071 1.00 51.33 O ATOM 0 H SER A 35 4.400 1.480 -12.414 1.00 51.30 H new ATOM 0 HA SER A 35 3.668 0.923 -15.256 1.00 2.45 H new ATOM 0 HB2 SER A 35 4.086 3.355 -14.640 1.00 74.23 H new ATOM 0 HB3 SER A 35 5.667 2.910 -14.028 1.00 74.23 H new ATOM 0 HG SER A 35 6.032 2.031 -16.271 1.00 51.33 H new ATOM 544 N ALA A 36 5.475 -0.904 -13.815 1.00 11.33 N ATOM 545 CA ALA A 36 6.572 -1.890 -13.626 1.00 15.52 C ATOM 546 C ALA A 36 7.827 -1.205 -12.996 1.00 54.43 C ATOM 547 O ALA A 36 8.610 -0.574 -13.707 1.00 21.23 O ATOM 548 CB ALA A 36 6.919 -2.639 -14.938 1.00 35.34 C ATOM 0 H ALA A 36 4.634 -1.131 -13.285 1.00 11.33 H new ATOM 0 HA ALA A 36 6.217 -2.648 -12.927 1.00 15.52 H new ATOM 0 HB1 ALA A 36 7.725 -3.348 -14.750 1.00 35.34 H new ATOM 0 HB2 ALA A 36 6.040 -3.176 -15.294 1.00 35.34 H new ATOM 0 HB3 ALA A 36 7.236 -1.921 -15.694 1.00 35.34 H new ATOM 554 N PRO A 37 8.014 -1.290 -11.640 1.00 61.41 N ATOM 555 CA PRO A 37 9.077 -0.536 -10.931 1.00 31.03 C ATOM 556 C PRO A 37 10.474 -1.222 -10.962 1.00 71.40 C ATOM 557 O PRO A 37 10.592 -2.440 -11.159 1.00 32.00 O ATOM 558 CB PRO A 37 8.511 -0.456 -9.499 1.00 0.13 C ATOM 559 CG PRO A 37 7.773 -1.754 -9.318 1.00 74.23 C ATOM 560 CD PRO A 37 7.225 -2.127 -10.691 1.00 25.23 C ATOM 0 HA PRO A 37 9.277 0.430 -11.395 1.00 31.03 H new ATOM 0 HB2 PRO A 37 9.307 -0.345 -8.762 1.00 0.13 H new ATOM 0 HB3 PRO A 37 7.846 0.400 -9.381 1.00 0.13 H new ATOM 0 HG2 PRO A 37 8.438 -2.531 -8.940 1.00 74.23 H new ATOM 0 HG3 PRO A 37 6.966 -1.645 -8.593 1.00 74.23 H new ATOM 0 HD2 PRO A 37 7.354 -3.190 -10.896 1.00 25.23 H new ATOM 0 HD3 PRO A 37 6.158 -1.915 -10.765 1.00 25.23 H new ATOM 568 N THR A 38 11.518 -0.406 -10.749 1.00 23.25 N ATOM 569 CA THR A 38 12.925 -0.851 -10.696 1.00 43.02 C ATOM 570 C THR A 38 13.403 -0.864 -9.235 1.00 5.12 C ATOM 571 O THR A 38 13.274 0.138 -8.529 1.00 53.11 O ATOM 572 CB THR A 38 13.847 0.090 -11.538 1.00 4.53 C ATOM 573 OG1 THR A 38 13.385 0.136 -12.895 1.00 72.34 O ATOM 574 CG2 THR A 38 15.322 -0.360 -11.523 1.00 70.33 C ATOM 0 H THR A 38 11.410 0.598 -10.606 1.00 23.25 H new ATOM 0 HA THR A 38 12.984 -1.854 -11.118 1.00 43.02 H new ATOM 0 HB THR A 38 13.796 1.078 -11.082 1.00 4.53 H new ATOM 0 HG1 THR A 38 14.049 0.595 -13.451 1.00 72.34 H new ATOM 0 HG21 THR A 38 15.918 0.328 -12.123 1.00 70.33 H new ATOM 0 HG22 THR A 38 15.692 -0.361 -10.498 1.00 70.33 H new ATOM 0 HG23 THR A 38 15.400 -1.365 -11.938 1.00 70.33 H new ATOM 582 N LEU A 39 13.954 -1.999 -8.791 1.00 33.11 N ATOM 583 CA LEU A 39 14.363 -2.212 -7.385 1.00 34.32 C ATOM 584 C LEU A 39 15.876 -2.006 -7.223 1.00 13.33 C ATOM 585 O LEU A 39 16.675 -2.748 -7.812 1.00 33.04 O ATOM 586 CB LEU A 39 13.901 -3.624 -6.899 1.00 55.31 C ATOM 587 CG LEU A 39 12.453 -3.697 -6.316 1.00 42.23 C ATOM 588 CD1 LEU A 39 12.376 -2.949 -4.977 1.00 71.15 C ATOM 589 CD2 LEU A 39 11.395 -3.166 -7.316 1.00 75.24 C ATOM 0 H LEU A 39 14.132 -2.803 -9.393 1.00 33.11 H new ATOM 0 HA LEU A 39 13.873 -1.471 -6.753 1.00 34.32 H new ATOM 0 HB2 LEU A 39 13.972 -4.318 -7.737 1.00 55.31 H new ATOM 0 HB3 LEU A 39 14.598 -3.972 -6.137 1.00 55.31 H new ATOM 0 HG LEU A 39 12.221 -4.747 -6.140 1.00 42.23 H new ATOM 0 HD11 LEU A 39 11.361 -3.009 -4.584 1.00 71.15 H new ATOM 0 HD12 LEU A 39 13.067 -3.402 -4.267 1.00 71.15 H new ATOM 0 HD13 LEU A 39 12.645 -1.904 -5.128 1.00 71.15 H new ATOM 0 HD21 LEU A 39 10.404 -3.236 -6.868 1.00 75.24 H new ATOM 0 HD22 LEU A 39 11.612 -2.125 -7.557 1.00 75.24 H new ATOM 0 HD23 LEU A 39 11.424 -3.763 -8.228 1.00 75.24 H new ATOM 601 N ARG A 40 16.268 -0.978 -6.434 1.00 61.15 N ATOM 602 CA ARG A 40 17.689 -0.667 -6.206 1.00 4.40 C ATOM 603 C ARG A 40 18.246 -1.556 -5.073 1.00 0.50 C ATOM 604 O ARG A 40 17.788 -1.444 -3.924 1.00 2.00 O ATOM 605 CB ARG A 40 17.882 0.834 -5.830 1.00 44.44 C ATOM 606 CG ARG A 40 17.120 1.852 -6.710 1.00 75.40 C ATOM 607 CD ARG A 40 17.494 1.797 -8.201 1.00 34.05 C ATOM 608 NE ARG A 40 16.837 2.882 -8.948 1.00 42.52 N ATOM 609 CZ ARG A 40 16.867 3.060 -10.246 1.00 62.13 C ATOM 610 NH1 ARG A 40 17.450 2.215 -11.037 1.00 73.35 N ATOM 611 NH2 ARG A 40 16.299 4.103 -10.746 1.00 45.42 N ATOM 0 H ARG A 40 15.620 -0.356 -5.950 1.00 61.15 H new ATOM 0 HA ARG A 40 18.231 -0.865 -7.131 1.00 4.40 H new ATOM 0 HB2 ARG A 40 17.570 0.973 -4.795 1.00 44.44 H new ATOM 0 HB3 ARG A 40 18.946 1.067 -5.877 1.00 44.44 H new ATOM 0 HG2 ARG A 40 16.049 1.674 -6.608 1.00 75.40 H new ATOM 0 HG3 ARG A 40 17.313 2.857 -6.335 1.00 75.40 H new ATOM 0 HD2 ARG A 40 18.575 1.877 -8.312 1.00 34.05 H new ATOM 0 HD3 ARG A 40 17.201 0.834 -8.618 1.00 34.05 H new ATOM 0 HE ARG A 40 16.307 3.561 -8.402 1.00 42.52 H new ATOM 0 HH11 ARG A 40 17.902 1.385 -10.653 1.00 73.35 H new ATOM 0 HH12 ARG A 40 17.457 2.380 -12.044 1.00 73.35 H new ATOM 0 HH21 ARG A 40 15.836 4.774 -10.134 1.00 45.42 H new ATOM 0 HH22 ARG A 40 16.313 4.257 -11.754 1.00 45.42 H new ATOM 625 N GLY A 41 19.270 -2.380 -5.407 1.00 12.25 N ATOM 626 CA GLY A 41 19.913 -3.327 -4.480 1.00 23.22 C ATOM 627 C GLY A 41 19.002 -4.150 -3.542 1.00 64.01 C ATOM 628 O GLY A 41 17.788 -4.256 -3.761 1.00 31.51 O ATOM 0 H GLY A 41 19.674 -2.401 -6.343 1.00 12.25 H new ATOM 0 HA2 GLY A 41 20.503 -4.027 -5.072 1.00 23.22 H new ATOM 0 HA3 GLY A 41 20.612 -2.766 -3.860 1.00 23.22 H new ATOM 632 N ALA A 42 19.643 -4.799 -2.540 1.00 63.44 N ATOM 633 CA ALA A 42 18.989 -5.460 -1.370 1.00 34.03 C ATOM 634 C ALA A 42 18.314 -6.830 -1.676 1.00 42.55 C ATOM 635 O ALA A 42 18.588 -7.790 -0.953 1.00 55.41 O ATOM 636 CB ALA A 42 17.999 -4.510 -0.655 1.00 31.20 C ATOM 0 H ALA A 42 20.659 -4.883 -2.517 1.00 63.44 H new ATOM 0 HA ALA A 42 19.815 -5.690 -0.698 1.00 34.03 H new ATOM 0 HB1 ALA A 42 17.544 -5.027 0.190 1.00 31.20 H new ATOM 0 HB2 ALA A 42 18.533 -3.630 -0.297 1.00 31.20 H new ATOM 0 HB3 ALA A 42 17.221 -4.202 -1.354 1.00 31.20 H new ATOM 642 N SER A 43 17.509 -6.905 -2.780 1.00 24.22 N ATOM 643 CA SER A 43 16.483 -7.967 -3.079 1.00 62.24 C ATOM 644 C SER A 43 15.088 -7.530 -2.532 1.00 54.03 C ATOM 645 O SER A 43 15.023 -6.910 -1.468 1.00 25.24 O ATOM 646 CB SER A 43 16.860 -9.397 -2.583 1.00 51.14 C ATOM 647 OG SER A 43 18.067 -9.847 -3.174 1.00 33.11 O ATOM 0 H SER A 43 17.555 -6.202 -3.518 1.00 24.22 H new ATOM 0 HA SER A 43 16.447 -8.052 -4.165 1.00 62.24 H new ATOM 0 HB2 SER A 43 16.964 -9.392 -1.498 1.00 51.14 H new ATOM 0 HB3 SER A 43 16.055 -10.091 -2.823 1.00 51.14 H new ATOM 0 HG SER A 43 18.278 -10.745 -2.843 1.00 33.11 H new ATOM 653 N PRO A 44 13.950 -7.867 -3.249 1.00 42.32 N ATOM 654 CA PRO A 44 12.587 -7.276 -2.988 1.00 34.23 C ATOM 655 C PRO A 44 12.048 -7.400 -1.525 1.00 25.43 C ATOM 656 O PRO A 44 11.396 -6.478 -1.029 1.00 13.35 O ATOM 657 CB PRO A 44 11.667 -8.041 -3.992 1.00 23.20 C ATOM 658 CG PRO A 44 12.443 -9.251 -4.402 1.00 61.14 C ATOM 659 CD PRO A 44 13.890 -8.829 -4.385 1.00 61.21 C ATOM 0 HA PRO A 44 12.621 -6.195 -3.123 1.00 34.23 H new ATOM 0 HB2 PRO A 44 10.723 -8.320 -3.525 1.00 23.20 H new ATOM 0 HB3 PRO A 44 11.425 -7.420 -4.854 1.00 23.20 H new ATOM 0 HG2 PRO A 44 12.268 -10.080 -3.716 1.00 61.14 H new ATOM 0 HG3 PRO A 44 12.145 -9.590 -5.394 1.00 61.14 H new ATOM 0 HD2 PRO A 44 14.555 -9.678 -4.229 1.00 61.21 H new ATOM 0 HD3 PRO A 44 14.184 -8.362 -5.325 1.00 61.21 H new ATOM 667 N HIS A 45 12.313 -8.541 -0.859 1.00 24.33 N ATOM 668 CA HIS A 45 11.834 -8.799 0.532 1.00 52.45 C ATOM 669 C HIS A 45 12.789 -8.213 1.603 1.00 20.42 C ATOM 670 O HIS A 45 12.424 -8.126 2.782 1.00 3.33 O ATOM 671 CB HIS A 45 11.668 -10.320 0.774 1.00 13.54 C ATOM 672 CG HIS A 45 10.582 -10.960 -0.036 1.00 12.41 C ATOM 673 ND1 HIS A 45 9.389 -11.367 0.515 1.00 13.41 N ATOM 674 CD2 HIS A 45 10.521 -11.300 -1.347 1.00 74.23 C ATOM 675 CE1 HIS A 45 8.642 -11.919 -0.411 1.00 14.03 C ATOM 676 NE2 HIS A 45 9.304 -11.895 -1.548 1.00 44.24 N ATOM 0 H HIS A 45 12.857 -9.307 -1.255 1.00 24.33 H new ATOM 0 HA HIS A 45 10.871 -8.298 0.630 1.00 52.45 H new ATOM 0 HB2 HIS A 45 12.612 -10.816 0.550 1.00 13.54 H new ATOM 0 HB3 HIS A 45 11.463 -10.487 1.831 1.00 13.54 H new ATOM 0 HD2 HIS A 45 11.286 -11.133 -2.091 1.00 74.23 H new ATOM 0 HE1 HIS A 45 7.652 -12.324 -0.265 1.00 14.03 H new ATOM 0 HE2 HIS A 45 8.965 -12.261 -2.437 1.00 44.24 H new ATOM 685 N THR A 46 14.004 -7.834 1.189 1.00 2.00 N ATOM 686 CA THR A 46 15.054 -7.328 2.099 1.00 41.24 C ATOM 687 C THR A 46 14.834 -5.827 2.443 1.00 70.02 C ATOM 688 O THR A 46 14.738 -5.002 1.526 1.00 2.22 O ATOM 689 CB THR A 46 16.465 -7.508 1.459 1.00 20.11 C ATOM 690 OG1 THR A 46 16.676 -8.881 1.106 1.00 41.31 O ATOM 691 CG2 THR A 46 17.612 -7.050 2.377 1.00 14.14 C ATOM 0 H THR A 46 14.293 -7.867 0.212 1.00 2.00 H new ATOM 0 HA THR A 46 14.993 -7.908 3.020 1.00 41.24 H new ATOM 0 HB THR A 46 16.479 -6.873 0.573 1.00 20.11 H new ATOM 0 HG1 THR A 46 17.570 -8.985 0.718 1.00 41.31 H new ATOM 0 HG21 THR A 46 18.566 -7.202 1.871 1.00 14.14 H new ATOM 0 HG22 THR A 46 17.490 -5.992 2.611 1.00 14.14 H new ATOM 0 HG23 THR A 46 17.594 -7.630 3.299 1.00 14.14 H new ATOM 699 N PRO A 47 14.726 -5.465 3.769 1.00 15.43 N ATOM 700 CA PRO A 47 14.706 -4.047 4.241 1.00 25.31 C ATOM 701 C PRO A 47 15.847 -3.176 3.642 1.00 41.44 C ATOM 702 O PRO A 47 16.998 -3.244 4.089 1.00 41.21 O ATOM 703 CB PRO A 47 14.849 -4.196 5.776 1.00 4.25 C ATOM 704 CG PRO A 47 14.197 -5.511 6.072 1.00 15.14 C ATOM 705 CD PRO A 47 14.561 -6.412 4.912 1.00 55.33 C ATOM 0 HA PRO A 47 13.802 -3.525 3.928 1.00 25.31 H new ATOM 0 HB2 PRO A 47 15.895 -4.191 6.082 1.00 4.25 H new ATOM 0 HB3 PRO A 47 14.358 -3.379 6.304 1.00 4.25 H new ATOM 0 HG2 PRO A 47 14.554 -5.923 7.016 1.00 15.14 H new ATOM 0 HG3 PRO A 47 13.116 -5.402 6.160 1.00 15.14 H new ATOM 0 HD2 PRO A 47 15.478 -6.967 5.108 1.00 55.33 H new ATOM 0 HD3 PRO A 47 13.780 -7.146 4.715 1.00 55.33 H new ATOM 713 N GLY A 48 15.512 -2.401 2.594 1.00 23.24 N ATOM 714 CA GLY A 48 16.484 -1.560 1.878 1.00 42.13 C ATOM 715 C GLY A 48 16.218 -1.488 0.375 1.00 53.13 C ATOM 716 O GLY A 48 16.785 -0.636 -0.317 1.00 33.10 O ATOM 0 H GLY A 48 14.564 -2.341 2.222 1.00 23.24 H new ATOM 0 HA2 GLY A 48 16.461 -0.553 2.294 1.00 42.13 H new ATOM 0 HA3 GLY A 48 17.488 -1.951 2.046 1.00 42.13 H new ATOM 720 N ALA A 49 15.368 -2.406 -0.133 1.00 41.14 N ATOM 721 CA ALA A 49 14.988 -2.466 -1.563 1.00 32.13 C ATOM 722 C ALA A 49 14.151 -1.231 -1.972 1.00 75.34 C ATOM 723 O ALA A 49 13.104 -0.977 -1.390 1.00 31.41 O ATOM 724 CB ALA A 49 14.208 -3.759 -1.832 1.00 63.45 C ATOM 0 H ALA A 49 14.925 -3.127 0.436 1.00 41.14 H new ATOM 0 HA ALA A 49 15.896 -2.461 -2.165 1.00 32.13 H new ATOM 0 HB1 ALA A 49 13.928 -3.803 -2.885 1.00 63.45 H new ATOM 0 HB2 ALA A 49 14.832 -4.618 -1.586 1.00 63.45 H new ATOM 0 HB3 ALA A 49 13.308 -3.776 -1.217 1.00 63.45 H new ATOM 730 N GLU A 50 14.616 -0.468 -2.977 1.00 42.41 N ATOM 731 CA GLU A 50 13.997 0.828 -3.353 1.00 55.10 C ATOM 732 C GLU A 50 13.125 0.692 -4.625 1.00 54.41 C ATOM 733 O GLU A 50 13.644 0.394 -5.695 1.00 51.15 O ATOM 734 CB GLU A 50 15.100 1.901 -3.544 1.00 70.13 C ATOM 735 CG GLU A 50 15.964 2.136 -2.287 1.00 40.21 C ATOM 736 CD GLU A 50 17.000 3.257 -2.458 1.00 71.41 C ATOM 737 OE1 GLU A 50 16.674 4.435 -2.176 1.00 4.31 O ATOM 738 OE2 GLU A 50 18.146 2.968 -2.876 1.00 31.04 O ATOM 0 H GLU A 50 15.421 -0.723 -3.549 1.00 42.41 H new ATOM 0 HA GLU A 50 13.337 1.142 -2.545 1.00 55.10 H new ATOM 0 HB2 GLU A 50 15.748 1.600 -4.368 1.00 70.13 H new ATOM 0 HB3 GLU A 50 14.632 2.842 -3.833 1.00 70.13 H new ATOM 0 HG2 GLU A 50 15.312 2.379 -1.448 1.00 40.21 H new ATOM 0 HG3 GLU A 50 16.480 1.210 -2.032 1.00 40.21 H new ATOM 745 N ARG A 51 11.804 0.952 -4.492 1.00 60.31 N ATOM 746 CA ARG A 51 10.809 0.722 -5.571 1.00 31.14 C ATOM 747 C ARG A 51 10.603 2.007 -6.411 1.00 1.24 C ATOM 748 O ARG A 51 9.908 2.936 -5.988 1.00 72.43 O ATOM 749 CB ARG A 51 9.474 0.240 -4.923 1.00 31.53 C ATOM 750 CG ARG A 51 8.393 -0.246 -5.907 1.00 52.22 C ATOM 751 CD ARG A 51 7.217 -0.981 -5.214 1.00 52.11 C ATOM 752 NE ARG A 51 6.314 -0.084 -4.457 1.00 45.34 N ATOM 753 CZ ARG A 51 5.185 -0.450 -3.862 1.00 32.11 C ATOM 754 NH1 ARG A 51 4.837 -1.691 -3.766 1.00 40.42 N ATOM 755 NH2 ARG A 51 4.427 0.450 -3.325 1.00 51.33 N ATOM 0 H ARG A 51 11.396 1.327 -3.636 1.00 60.31 H new ATOM 0 HA ARG A 51 11.172 -0.047 -6.253 1.00 31.14 H new ATOM 0 HB2 ARG A 51 9.699 -0.570 -4.230 1.00 31.53 H new ATOM 0 HB3 ARG A 51 9.061 1.058 -4.333 1.00 31.53 H new ATOM 0 HG2 ARG A 51 8.003 0.609 -6.459 1.00 52.22 H new ATOM 0 HG3 ARG A 51 8.850 -0.914 -6.637 1.00 52.22 H new ATOM 0 HD2 ARG A 51 6.637 -1.512 -5.969 1.00 52.11 H new ATOM 0 HD3 ARG A 51 7.620 -1.732 -4.535 1.00 52.11 H new ATOM 0 HE ARG A 51 6.582 0.898 -4.387 1.00 45.34 H new ATOM 0 HH11 ARG A 51 5.436 -2.420 -4.153 1.00 40.42 H new ATOM 0 HH12 ARG A 51 3.963 -1.941 -3.303 1.00 40.42 H new ATOM 0 HH21 ARG A 51 4.698 1.433 -3.361 1.00 51.33 H new ATOM 0 HH22 ARG A 51 3.558 0.177 -2.866 1.00 51.33 H new ATOM 769 N VAL A 52 11.203 2.041 -7.622 1.00 71.21 N ATOM 770 CA VAL A 52 11.255 3.252 -8.479 1.00 65.43 C ATOM 771 C VAL A 52 10.403 3.041 -9.759 1.00 75.40 C ATOM 772 O VAL A 52 10.861 2.429 -10.723 1.00 52.35 O ATOM 773 CB VAL A 52 12.742 3.606 -8.870 1.00 23.01 C ATOM 774 CG1 VAL A 52 12.824 4.981 -9.579 1.00 33.14 C ATOM 775 CG2 VAL A 52 13.675 3.556 -7.635 1.00 14.21 C ATOM 0 H VAL A 52 11.665 1.231 -8.035 1.00 71.21 H new ATOM 0 HA VAL A 52 10.844 4.086 -7.911 1.00 65.43 H new ATOM 0 HB VAL A 52 13.086 2.849 -9.575 1.00 23.01 H new ATOM 0 HG11 VAL A 52 13.861 5.197 -9.836 1.00 33.14 H new ATOM 0 HG12 VAL A 52 12.222 4.958 -10.488 1.00 33.14 H new ATOM 0 HG13 VAL A 52 12.446 5.757 -8.913 1.00 33.14 H new ATOM 0 HG21 VAL A 52 14.692 3.805 -7.937 1.00 14.21 H new ATOM 0 HG22 VAL A 52 13.332 4.274 -6.890 1.00 14.21 H new ATOM 0 HG23 VAL A 52 13.658 2.554 -7.207 1.00 14.21 H new ATOM 785 N PHE A 53 9.171 3.578 -9.750 1.00 13.30 N ATOM 786 CA PHE A 53 8.131 3.278 -10.775 1.00 42.44 C ATOM 787 C PHE A 53 8.521 3.727 -12.211 1.00 50.20 C ATOM 788 O PHE A 53 8.404 2.944 -13.163 1.00 65.31 O ATOM 789 CB PHE A 53 6.777 3.902 -10.343 1.00 52.54 C ATOM 790 CG PHE A 53 6.206 3.276 -9.067 1.00 32.42 C ATOM 791 CD1 PHE A 53 6.608 3.716 -7.805 1.00 43.13 C ATOM 792 CD2 PHE A 53 5.279 2.234 -9.132 1.00 60.21 C ATOM 793 CE1 PHE A 53 6.105 3.137 -6.657 1.00 2.20 C ATOM 794 CE2 PHE A 53 4.774 1.659 -7.979 1.00 34.13 C ATOM 795 CZ PHE A 53 5.185 2.110 -6.744 1.00 61.23 C ATOM 0 H PHE A 53 8.858 4.234 -9.035 1.00 13.30 H new ATOM 0 HA PHE A 53 8.038 2.193 -10.826 1.00 42.44 H new ATOM 0 HB2 PHE A 53 6.911 4.972 -10.187 1.00 52.54 H new ATOM 0 HB3 PHE A 53 6.056 3.785 -11.152 1.00 52.54 H new ATOM 0 HD1 PHE A 53 7.323 4.521 -7.725 1.00 43.13 H new ATOM 0 HD2 PHE A 53 4.952 1.872 -10.095 1.00 60.21 H new ATOM 0 HE1 PHE A 53 6.431 3.488 -5.689 1.00 2.20 H new ATOM 0 HE2 PHE A 53 4.056 0.855 -8.048 1.00 34.13 H new ATOM 0 HZ PHE A 53 4.789 1.661 -5.845 1.00 61.23 H new ATOM 805 N GLY A 54 8.980 4.980 -12.356 1.00 20.14 N ATOM 806 CA GLY A 54 9.384 5.530 -13.667 1.00 32.50 C ATOM 807 C GLY A 54 10.887 5.805 -13.745 1.00 2.41 C ATOM 808 O GLY A 54 11.297 6.917 -14.082 1.00 22.20 O ATOM 0 H GLY A 54 9.082 5.636 -11.581 1.00 20.14 H new ATOM 0 HA2 GLY A 54 9.104 4.830 -14.454 1.00 32.50 H new ATOM 0 HA3 GLY A 54 8.838 6.455 -13.854 1.00 32.50 H new ATOM 812 N ALA A 55 11.703 4.784 -13.423 1.00 3.21 N ATOM 813 CA ALA A 55 13.183 4.898 -13.362 1.00 11.31 C ATOM 814 C ALA A 55 13.808 5.427 -14.688 1.00 44.34 C ATOM 815 O ALA A 55 13.993 4.672 -15.652 1.00 22.13 O ATOM 816 CB ALA A 55 13.793 3.545 -12.967 1.00 44.10 C ATOM 0 H ALA A 55 11.359 3.851 -13.196 1.00 3.21 H new ATOM 0 HA ALA A 55 13.421 5.640 -12.600 1.00 11.31 H new ATOM 0 HB1 ALA A 55 14.878 3.634 -12.924 1.00 44.10 H new ATOM 0 HB2 ALA A 55 13.414 3.247 -11.990 1.00 44.10 H new ATOM 0 HB3 ALA A 55 13.520 2.793 -13.707 1.00 44.10 H new ATOM 822 N GLY A 56 14.103 6.742 -14.718 1.00 15.04 N ATOM 823 CA GLY A 56 14.662 7.417 -15.903 1.00 71.03 C ATOM 824 C GLY A 56 13.643 8.297 -16.646 1.00 72.40 C ATOM 825 O GLY A 56 13.698 8.415 -17.877 1.00 51.34 O ATOM 0 H GLY A 56 13.960 7.364 -13.922 1.00 15.04 H new ATOM 0 HA2 GLY A 56 15.506 8.034 -15.595 1.00 71.03 H new ATOM 0 HA3 GLY A 56 15.050 6.665 -16.590 1.00 71.03 H new ATOM 829 N THR A 57 12.702 8.914 -15.897 1.00 74.23 N ATOM 830 CA THR A 57 11.711 9.894 -16.452 1.00 24.43 C ATOM 831 C THR A 57 11.850 11.267 -15.755 1.00 14.42 C ATOM 832 O THR A 57 12.681 11.430 -14.851 1.00 2.20 O ATOM 833 CB THR A 57 10.224 9.395 -16.302 1.00 51.00 C ATOM 834 OG1 THR A 57 9.864 9.289 -14.912 1.00 32.31 O ATOM 835 CG2 THR A 57 9.998 8.042 -17.000 1.00 54.24 C ATOM 0 H THR A 57 12.599 8.755 -14.895 1.00 74.23 H new ATOM 0 HA THR A 57 11.935 9.989 -17.514 1.00 24.43 H new ATOM 0 HB THR A 57 9.588 10.135 -16.787 1.00 51.00 H new ATOM 0 HG1 THR A 57 10.193 8.439 -14.553 1.00 32.31 H new ATOM 0 HG21 THR A 57 8.960 7.735 -16.872 1.00 54.24 H new ATOM 0 HG22 THR A 57 10.219 8.140 -18.063 1.00 54.24 H new ATOM 0 HG23 THR A 57 10.655 7.292 -16.560 1.00 54.24 H new ATOM 843 N GLU A 58 11.045 12.259 -16.196 1.00 14.14 N ATOM 844 CA GLU A 58 11.016 13.606 -15.576 1.00 45.44 C ATOM 845 C GLU A 58 10.426 13.554 -14.147 1.00 63.22 C ATOM 846 O GLU A 58 11.061 14.000 -13.184 1.00 71.10 O ATOM 847 CB GLU A 58 10.215 14.605 -16.465 1.00 32.42 C ATOM 848 CG GLU A 58 10.749 14.773 -17.909 1.00 54.13 C ATOM 849 CD GLU A 58 12.213 15.253 -17.978 1.00 52.25 C ATOM 850 OE1 GLU A 58 12.468 16.458 -17.738 1.00 33.33 O ATOM 851 OE2 GLU A 58 13.113 14.434 -18.270 1.00 13.34 O ATOM 0 H GLU A 58 10.404 12.153 -16.982 1.00 14.14 H new ATOM 0 HA GLU A 58 12.044 13.959 -15.500 1.00 45.44 H new ATOM 0 HB2 GLU A 58 9.178 14.273 -16.514 1.00 32.42 H new ATOM 0 HB3 GLU A 58 10.215 15.580 -15.979 1.00 32.42 H new ATOM 0 HG2 GLU A 58 10.664 13.820 -18.431 1.00 54.13 H new ATOM 0 HG3 GLU A 58 10.117 15.485 -18.440 1.00 54.13 H new ATOM 858 N GLU A 59 9.202 13.005 -14.026 1.00 14.22 N ATOM 859 CA GLU A 59 8.500 12.852 -12.730 1.00 65.34 C ATOM 860 C GLU A 59 8.293 11.366 -12.387 1.00 34.10 C ATOM 861 O GLU A 59 7.296 10.745 -12.777 1.00 22.02 O ATOM 862 CB GLU A 59 7.149 13.623 -12.740 1.00 62.30 C ATOM 863 CG GLU A 59 7.289 15.162 -12.713 1.00 13.34 C ATOM 864 CD GLU A 59 7.993 15.668 -11.438 1.00 62.05 C ATOM 865 OE1 GLU A 59 7.334 15.764 -10.376 1.00 41.11 O ATOM 866 OE2 GLU A 59 9.212 15.958 -11.479 1.00 54.54 O ATOM 0 H GLU A 59 8.669 12.654 -14.822 1.00 14.22 H new ATOM 0 HA GLU A 59 9.127 13.286 -11.951 1.00 65.34 H new ATOM 0 HB2 GLU A 59 6.589 13.337 -13.630 1.00 62.30 H new ATOM 0 HB3 GLU A 59 6.560 13.309 -11.878 1.00 62.30 H new ATOM 0 HG2 GLU A 59 7.851 15.488 -13.588 1.00 13.34 H new ATOM 0 HG3 GLU A 59 6.300 15.615 -12.782 1.00 13.34 H new ATOM 873 N GLU A 60 9.283 10.798 -11.686 1.00 12.42 N ATOM 874 CA GLU A 60 9.233 9.418 -11.153 1.00 33.13 C ATOM 875 C GLU A 60 9.046 9.416 -9.616 1.00 72.25 C ATOM 876 O GLU A 60 9.260 10.429 -8.946 1.00 23.23 O ATOM 877 CB GLU A 60 10.525 8.659 -11.547 1.00 0.54 C ATOM 878 CG GLU A 60 11.840 9.284 -11.036 1.00 61.31 C ATOM 879 CD GLU A 60 13.093 8.679 -11.694 1.00 24.43 C ATOM 880 OE1 GLU A 60 13.406 9.059 -12.845 1.00 50.14 O ATOM 881 OE2 GLU A 60 13.757 7.817 -11.080 1.00 74.12 O ATOM 0 H GLU A 60 10.153 11.284 -11.467 1.00 12.42 H new ATOM 0 HA GLU A 60 8.373 8.910 -11.589 1.00 33.13 H new ATOM 0 HB2 GLU A 60 10.456 7.639 -11.170 1.00 0.54 H new ATOM 0 HB3 GLU A 60 10.571 8.594 -12.634 1.00 0.54 H new ATOM 0 HG2 GLU A 60 11.821 10.358 -11.223 1.00 61.31 H new ATOM 0 HG3 GLU A 60 11.903 9.150 -9.956 1.00 61.31 H new ATOM 888 N LEU A 61 8.648 8.252 -9.077 1.00 70.53 N ATOM 889 CA LEU A 61 8.453 8.053 -7.624 1.00 55.43 C ATOM 890 C LEU A 61 9.442 6.993 -7.096 1.00 5.04 C ATOM 891 O LEU A 61 9.424 5.841 -7.547 1.00 43.54 O ATOM 892 CB LEU A 61 6.991 7.626 -7.314 1.00 32.13 C ATOM 893 CG LEU A 61 6.657 7.388 -5.799 1.00 54.40 C ATOM 894 CD1 LEU A 61 6.961 8.645 -4.951 1.00 4.22 C ATOM 895 CD2 LEU A 61 5.193 6.916 -5.622 1.00 22.14 C ATOM 0 H LEU A 61 8.451 7.420 -9.633 1.00 70.53 H new ATOM 0 HA LEU A 61 8.645 9.000 -7.120 1.00 55.43 H new ATOM 0 HB2 LEU A 61 6.319 8.393 -7.699 1.00 32.13 H new ATOM 0 HB3 LEU A 61 6.776 6.709 -7.863 1.00 32.13 H new ATOM 0 HG LEU A 61 7.305 6.591 -5.433 1.00 54.40 H new ATOM 0 HD11 LEU A 61 6.719 8.447 -3.907 1.00 4.22 H new ATOM 0 HD12 LEU A 61 8.018 8.895 -5.037 1.00 4.22 H new ATOM 0 HD13 LEU A 61 6.360 9.480 -5.311 1.00 4.22 H new ATOM 0 HD21 LEU A 61 4.987 6.758 -4.563 1.00 22.14 H new ATOM 0 HD22 LEU A 61 4.516 7.675 -6.014 1.00 22.14 H new ATOM 0 HD23 LEU A 61 5.044 5.982 -6.164 1.00 22.14 H new ATOM 907 N VAL A 62 10.304 7.404 -6.149 1.00 23.42 N ATOM 908 CA VAL A 62 11.272 6.506 -5.484 1.00 21.44 C ATOM 909 C VAL A 62 10.791 6.169 -4.049 1.00 51.22 C ATOM 910 O VAL A 62 10.691 7.051 -3.188 1.00 44.20 O ATOM 911 CB VAL A 62 12.713 7.144 -5.429 1.00 2.01 C ATOM 912 CG1 VAL A 62 13.753 6.177 -4.787 1.00 65.31 C ATOM 913 CG2 VAL A 62 13.163 7.614 -6.842 1.00 63.32 C ATOM 0 H VAL A 62 10.351 8.369 -5.821 1.00 23.42 H new ATOM 0 HA VAL A 62 11.331 5.590 -6.072 1.00 21.44 H new ATOM 0 HB VAL A 62 12.661 8.021 -4.784 1.00 2.01 H new ATOM 0 HG11 VAL A 62 14.732 6.656 -4.769 1.00 65.31 H new ATOM 0 HG12 VAL A 62 13.447 5.938 -3.769 1.00 65.31 H new ATOM 0 HG13 VAL A 62 13.808 5.260 -5.374 1.00 65.31 H new ATOM 0 HG21 VAL A 62 14.160 8.051 -6.780 1.00 63.32 H new ATOM 0 HG22 VAL A 62 13.182 6.761 -7.520 1.00 63.32 H new ATOM 0 HG23 VAL A 62 12.463 8.360 -7.217 1.00 63.32 H new ATOM 923 N GLU A 63 10.470 4.887 -3.831 1.00 40.34 N ATOM 924 CA GLU A 63 10.166 4.312 -2.504 1.00 61.31 C ATOM 925 C GLU A 63 11.381 3.538 -1.958 1.00 2.55 C ATOM 926 O GLU A 63 12.355 3.336 -2.671 1.00 74.53 O ATOM 927 CB GLU A 63 8.957 3.364 -2.583 1.00 42.03 C ATOM 928 CG GLU A 63 7.622 4.030 -2.981 1.00 71.22 C ATOM 929 CD GLU A 63 6.423 3.072 -2.917 1.00 50.23 C ATOM 930 OE1 GLU A 63 6.562 1.965 -2.350 1.00 72.14 O ATOM 931 OE2 GLU A 63 5.331 3.414 -3.417 1.00 61.43 O ATOM 0 H GLU A 63 10.412 4.202 -4.585 1.00 40.34 H new ATOM 0 HA GLU A 63 9.930 5.137 -1.831 1.00 61.31 H new ATOM 0 HB2 GLU A 63 9.180 2.576 -3.303 1.00 42.03 H new ATOM 0 HB3 GLU A 63 8.829 2.883 -1.613 1.00 42.03 H new ATOM 0 HG2 GLU A 63 7.436 4.878 -2.322 1.00 71.22 H new ATOM 0 HG3 GLU A 63 7.709 4.426 -3.993 1.00 71.22 H new ATOM 938 N ARG A 64 11.319 3.145 -0.671 1.00 34.30 N ATOM 939 CA ARG A 64 12.365 2.324 -0.017 1.00 45.24 C ATOM 940 C ARG A 64 11.759 1.459 1.108 1.00 3.34 C ATOM 941 O ARG A 64 11.117 1.980 2.013 1.00 21.00 O ATOM 942 CB ARG A 64 13.490 3.230 0.547 1.00 33.03 C ATOM 943 CG ARG A 64 14.620 2.467 1.279 1.00 14.40 C ATOM 944 CD ARG A 64 15.750 3.392 1.749 1.00 75.44 C ATOM 945 NE ARG A 64 16.795 2.658 2.486 1.00 14.22 N ATOM 946 CZ ARG A 64 18.012 3.092 2.714 1.00 72.03 C ATOM 947 NH1 ARG A 64 18.428 4.225 2.237 1.00 72.41 N ATOM 948 NH2 ARG A 64 18.811 2.380 3.426 1.00 24.51 N ATOM 0 H ARG A 64 10.544 3.386 -0.053 1.00 34.30 H new ATOM 0 HA ARG A 64 12.794 1.659 -0.767 1.00 45.24 H new ATOM 0 HB2 ARG A 64 13.926 3.800 -0.273 1.00 33.03 H new ATOM 0 HB3 ARG A 64 13.049 3.950 1.236 1.00 33.03 H new ATOM 0 HG2 ARG A 64 14.202 1.945 2.139 1.00 14.40 H new ATOM 0 HG3 ARG A 64 15.031 1.708 0.613 1.00 14.40 H new ATOM 0 HD2 ARG A 64 16.195 3.888 0.886 1.00 75.44 H new ATOM 0 HD3 ARG A 64 15.337 4.173 2.387 1.00 75.44 H new ATOM 0 HE ARG A 64 16.552 1.736 2.849 1.00 14.22 H new ATOM 0 HH11 ARG A 64 17.804 4.800 1.671 1.00 72.41 H new ATOM 0 HH12 ARG A 64 19.379 4.541 2.428 1.00 72.41 H new ATOM 0 HH21 ARG A 64 18.497 1.488 3.807 1.00 24.51 H new ATOM 0 HH22 ARG A 64 19.759 2.707 3.610 1.00 24.51 H new ATOM 962 N LEU A 65 12.002 0.141 1.054 1.00 51.34 N ATOM 963 CA LEU A 65 11.513 -0.831 2.055 1.00 22.34 C ATOM 964 C LEU A 65 12.269 -0.678 3.398 1.00 1.11 C ATOM 965 O LEU A 65 13.499 -0.691 3.429 1.00 41.22 O ATOM 966 CB LEU A 65 11.672 -2.273 1.497 1.00 14.21 C ATOM 967 CG LEU A 65 11.226 -3.447 2.433 1.00 0.20 C ATOM 968 CD1 LEU A 65 9.785 -3.255 2.923 1.00 23.14 C ATOM 969 CD2 LEU A 65 11.381 -4.813 1.728 1.00 43.44 C ATOM 0 H LEU A 65 12.549 -0.289 0.308 1.00 51.34 H new ATOM 0 HA LEU A 65 10.458 -0.635 2.248 1.00 22.34 H new ATOM 0 HB2 LEU A 65 11.103 -2.343 0.570 1.00 14.21 H new ATOM 0 HB3 LEU A 65 12.720 -2.424 1.239 1.00 14.21 H new ATOM 0 HG LEU A 65 11.883 -3.436 3.303 1.00 0.20 H new ATOM 0 HD11 LEU A 65 9.507 -4.087 3.570 1.00 23.14 H new ATOM 0 HD12 LEU A 65 9.712 -2.321 3.481 1.00 23.14 H new ATOM 0 HD13 LEU A 65 9.111 -3.220 2.067 1.00 23.14 H new ATOM 0 HD21 LEU A 65 11.064 -5.609 2.402 1.00 43.44 H new ATOM 0 HD22 LEU A 65 10.764 -4.831 0.830 1.00 43.44 H new ATOM 0 HD23 LEU A 65 12.425 -4.965 1.454 1.00 43.44 H new ATOM 981 N VAL A 66 11.515 -0.529 4.501 1.00 41.01 N ATOM 982 CA VAL A 66 12.085 -0.383 5.865 1.00 65.05 C ATOM 983 C VAL A 66 12.036 -1.722 6.643 1.00 72.23 C ATOM 984 O VAL A 66 12.981 -2.074 7.359 1.00 52.40 O ATOM 985 CB VAL A 66 11.318 0.725 6.684 1.00 51.10 C ATOM 986 CG1 VAL A 66 11.932 0.918 8.099 1.00 73.43 C ATOM 987 CG2 VAL A 66 11.279 2.064 5.903 1.00 3.41 C ATOM 0 H VAL A 66 10.495 -0.506 4.480 1.00 41.01 H new ATOM 0 HA VAL A 66 13.126 -0.083 5.746 1.00 65.05 H new ATOM 0 HB VAL A 66 10.292 0.383 6.819 1.00 51.10 H new ATOM 0 HG11 VAL A 66 11.378 1.689 8.634 1.00 73.43 H new ATOM 0 HG12 VAL A 66 11.874 -0.020 8.652 1.00 73.43 H new ATOM 0 HG13 VAL A 66 12.975 1.220 8.005 1.00 73.43 H new ATOM 0 HG21 VAL A 66 10.745 2.812 6.489 1.00 3.41 H new ATOM 0 HG22 VAL A 66 12.297 2.407 5.718 1.00 3.41 H new ATOM 0 HG23 VAL A 66 10.768 1.916 4.952 1.00 3.41 H new ATOM 997 N GLU A 67 10.920 -2.451 6.487 1.00 1.34 N ATOM 998 CA GLU A 67 10.618 -3.680 7.261 1.00 32.44 C ATOM 999 C GLU A 67 9.428 -4.430 6.613 1.00 0.14 C ATOM 1000 O GLU A 67 8.618 -3.819 5.939 1.00 51.25 O ATOM 1001 CB GLU A 67 10.278 -3.285 8.736 1.00 54.02 C ATOM 1002 CG GLU A 67 10.028 -4.459 9.709 1.00 24.31 C ATOM 1003 CD GLU A 67 9.652 -3.980 11.125 1.00 32.41 C ATOM 1004 OE1 GLU A 67 10.564 -3.664 11.923 1.00 10.32 O ATOM 1005 OE2 GLU A 67 8.439 -3.883 11.434 1.00 22.22 O ATOM 0 H GLU A 67 10.191 -2.208 5.816 1.00 1.34 H new ATOM 0 HA GLU A 67 11.485 -4.341 7.258 1.00 32.44 H new ATOM 0 HB2 GLU A 67 11.097 -2.682 9.128 1.00 54.02 H new ATOM 0 HB3 GLU A 67 9.391 -2.651 8.727 1.00 54.02 H new ATOM 0 HG2 GLU A 67 9.229 -5.088 9.317 1.00 24.31 H new ATOM 0 HG3 GLU A 67 10.923 -5.079 9.764 1.00 24.31 H new ATOM 1012 N ARG A 68 9.344 -5.753 6.796 1.00 52.30 N ATOM 1013 CA ARG A 68 8.155 -6.555 6.405 1.00 61.51 C ATOM 1014 C ARG A 68 7.994 -7.778 7.336 1.00 50.30 C ATOM 1015 O ARG A 68 8.968 -8.223 7.958 1.00 64.13 O ATOM 1016 CB ARG A 68 8.159 -6.918 4.873 1.00 11.53 C ATOM 1017 CG ARG A 68 9.441 -7.585 4.278 1.00 51.20 C ATOM 1018 CD ARG A 68 9.476 -9.138 4.391 1.00 43.12 C ATOM 1019 NE ARG A 68 9.987 -9.608 5.691 1.00 60.44 N ATOM 1020 CZ ARG A 68 9.694 -10.755 6.269 1.00 24.40 C ATOM 1021 NH1 ARG A 68 8.800 -11.553 5.784 1.00 31.21 N ATOM 1022 NH2 ARG A 68 10.289 -11.072 7.366 1.00 63.31 N ATOM 0 H ARG A 68 10.090 -6.306 7.217 1.00 52.30 H new ATOM 0 HA ARG A 68 7.265 -5.940 6.542 1.00 61.51 H new ATOM 0 HB2 ARG A 68 7.318 -7.586 4.686 1.00 11.53 H new ATOM 0 HB3 ARG A 68 7.969 -6.002 4.313 1.00 11.53 H new ATOM 0 HG2 ARG A 68 9.524 -7.308 3.227 1.00 51.20 H new ATOM 0 HG3 ARG A 68 10.315 -7.177 4.785 1.00 51.20 H new ATOM 0 HD2 ARG A 68 8.471 -9.531 4.238 1.00 43.12 H new ATOM 0 HD3 ARG A 68 10.101 -9.541 3.594 1.00 43.12 H new ATOM 0 HE ARG A 68 10.626 -8.988 6.189 1.00 60.44 H new ATOM 0 HH11 ARG A 68 8.300 -11.301 4.931 1.00 31.21 H new ATOM 0 HH12 ARG A 68 8.595 -12.435 6.254 1.00 31.21 H new ATOM 0 HH21 ARG A 68 10.976 -10.439 7.775 1.00 63.31 H new ATOM 0 HH22 ARG A 68 10.073 -11.956 7.826 1.00 63.31 H new ATOM 1036 N ASP A 69 6.750 -8.268 7.499 1.00 53.43 N ATOM 1037 CA ASP A 69 6.450 -9.449 8.340 1.00 61.02 C ATOM 1038 C ASP A 69 5.427 -10.370 7.640 1.00 41.25 C ATOM 1039 O ASP A 69 4.403 -9.902 7.140 1.00 22.22 O ATOM 1040 CB ASP A 69 5.927 -9.004 9.730 1.00 74.32 C ATOM 1041 CG ASP A 69 5.877 -10.167 10.739 1.00 24.54 C ATOM 1042 OD1 ASP A 69 4.904 -10.948 10.726 1.00 64.21 O ATOM 1043 OD2 ASP A 69 6.835 -10.334 11.520 1.00 12.25 O ATOM 0 H ASP A 69 5.927 -7.861 7.055 1.00 53.43 H new ATOM 0 HA ASP A 69 7.371 -10.013 8.484 1.00 61.02 H new ATOM 0 HB2 ASP A 69 6.569 -8.215 10.121 1.00 74.32 H new ATOM 0 HB3 ASP A 69 4.929 -8.578 9.621 1.00 74.32 H new ATOM 1048 N GLU A 70 5.701 -11.682 7.668 1.00 22.21 N ATOM 1049 CA GLU A 70 4.893 -12.700 6.970 1.00 53.02 C ATOM 1050 C GLU A 70 3.543 -12.978 7.683 1.00 33.22 C ATOM 1051 O GLU A 70 2.465 -12.817 7.097 1.00 12.35 O ATOM 1052 CB GLU A 70 5.717 -14.003 6.857 1.00 14.02 C ATOM 1053 CG GLU A 70 5.018 -15.143 6.089 1.00 55.12 C ATOM 1054 CD GLU A 70 5.810 -16.456 6.129 1.00 44.45 C ATOM 1055 OE1 GLU A 70 6.727 -16.632 5.304 1.00 72.11 O ATOM 1056 OE2 GLU A 70 5.530 -17.315 6.998 1.00 73.12 O ATOM 0 H GLU A 70 6.494 -12.072 8.178 1.00 22.21 H new ATOM 0 HA GLU A 70 4.650 -12.317 5.979 1.00 53.02 H new ATOM 0 HB2 GLU A 70 6.662 -13.777 6.364 1.00 14.02 H new ATOM 0 HB3 GLU A 70 5.957 -14.353 7.861 1.00 14.02 H new ATOM 0 HG2 GLU A 70 4.028 -15.308 6.513 1.00 55.12 H new ATOM 0 HG3 GLU A 70 4.874 -14.842 5.051 1.00 55.12 H new ATOM 1063 N SER A 71 3.629 -13.381 8.962 1.00 11.32 N ATOM 1064 CA SER A 71 2.460 -13.850 9.752 1.00 25.11 C ATOM 1065 C SER A 71 1.555 -12.694 10.232 1.00 5.12 C ATOM 1066 O SER A 71 0.429 -12.933 10.667 1.00 12.44 O ATOM 1067 CB SER A 71 2.945 -14.678 10.960 1.00 24.10 C ATOM 1068 OG SER A 71 3.754 -15.772 10.546 1.00 25.43 O ATOM 0 H SER A 71 4.506 -13.394 9.483 1.00 11.32 H new ATOM 0 HA SER A 71 1.855 -14.470 9.091 1.00 25.11 H new ATOM 0 HB2 SER A 71 3.512 -14.039 11.637 1.00 24.10 H new ATOM 0 HB3 SER A 71 2.085 -15.049 11.518 1.00 24.10 H new ATOM 0 HG SER A 71 4.048 -16.277 11.332 1.00 25.43 H new ATOM 1074 N ALA A 72 2.062 -11.452 10.164 1.00 44.53 N ATOM 1075 CA ALA A 72 1.265 -10.231 10.453 1.00 55.51 C ATOM 1076 C ALA A 72 0.780 -9.560 9.149 1.00 3.30 C ATOM 1077 O ALA A 72 0.006 -8.593 9.194 1.00 21.03 O ATOM 1078 CB ALA A 72 2.087 -9.239 11.296 1.00 54.23 C ATOM 0 H ALA A 72 3.030 -11.258 9.909 1.00 44.53 H new ATOM 0 HA ALA A 72 0.386 -10.530 11.024 1.00 55.51 H new ATOM 0 HB1 ALA A 72 1.489 -8.351 11.499 1.00 54.23 H new ATOM 0 HB2 ALA A 72 2.369 -9.709 12.238 1.00 54.23 H new ATOM 0 HB3 ALA A 72 2.986 -8.954 10.749 1.00 54.23 H new ATOM 1084 N ARG A 73 1.234 -10.115 7.992 1.00 51.31 N ATOM 1085 CA ARG A 73 0.952 -9.590 6.629 1.00 34.21 C ATOM 1086 C ARG A 73 1.289 -8.079 6.527 1.00 43.10 C ATOM 1087 O ARG A 73 0.644 -7.335 5.789 1.00 54.43 O ATOM 1088 CB ARG A 73 -0.521 -9.850 6.184 1.00 31.24 C ATOM 1089 CG ARG A 73 -0.985 -11.329 6.099 1.00 33.50 C ATOM 1090 CD ARG A 73 -1.220 -11.985 7.479 1.00 30.11 C ATOM 1091 NE ARG A 73 -2.014 -11.122 8.380 1.00 41.41 N ATOM 1092 CZ ARG A 73 -2.398 -11.424 9.596 1.00 63.43 C ATOM 1093 NH1 ARG A 73 -2.301 -12.625 10.066 1.00 50.03 N ATOM 1094 NH2 ARG A 73 -2.931 -10.507 10.327 1.00 44.21 N ATOM 0 H ARG A 73 1.815 -10.953 7.981 1.00 51.31 H new ATOM 0 HA ARG A 73 1.601 -10.139 5.946 1.00 34.21 H new ATOM 0 HB2 ARG A 73 -1.181 -9.328 6.877 1.00 31.24 H new ATOM 0 HB3 ARG A 73 -0.664 -9.394 5.204 1.00 31.24 H new ATOM 0 HG2 ARG A 73 -1.908 -11.379 5.521 1.00 33.50 H new ATOM 0 HG3 ARG A 73 -0.236 -11.905 5.555 1.00 33.50 H new ATOM 0 HD2 ARG A 73 -1.734 -12.937 7.344 1.00 30.11 H new ATOM 0 HD3 ARG A 73 -0.259 -12.205 7.943 1.00 30.11 H new ATOM 0 HE ARG A 73 -2.288 -10.207 8.022 1.00 41.41 H new ATOM 0 HH11 ARG A 73 -1.916 -13.370 9.486 1.00 50.03 H new ATOM 0 HH12 ARG A 73 -2.609 -12.827 11.017 1.00 50.03 H new ATOM 0 HH21 ARG A 73 -3.048 -9.564 9.957 1.00 44.21 H new ATOM 0 HH22 ARG A 73 -3.236 -10.724 11.276 1.00 44.21 H new ATOM 1108 N ARG A 74 2.372 -7.679 7.212 1.00 2.32 N ATOM 1109 CA ARG A 74 2.699 -6.268 7.494 1.00 3.44 C ATOM 1110 C ARG A 74 3.942 -5.791 6.695 1.00 52.12 C ATOM 1111 O ARG A 74 5.078 -6.014 7.100 1.00 44.03 O ATOM 1112 CB ARG A 74 2.897 -6.112 9.027 1.00 44.20 C ATOM 1113 CG ARG A 74 3.242 -4.690 9.506 1.00 3.44 C ATOM 1114 CD ARG A 74 3.301 -4.577 11.039 1.00 74.40 C ATOM 1115 NE ARG A 74 1.983 -4.790 11.666 1.00 43.52 N ATOM 1116 CZ ARG A 74 1.717 -4.658 12.945 1.00 63.22 C ATOM 1117 NH1 ARG A 74 2.642 -4.398 13.813 1.00 62.23 N ATOM 1118 NH2 ARG A 74 0.505 -4.802 13.346 1.00 24.12 N ATOM 0 H ARG A 74 3.056 -8.334 7.592 1.00 2.32 H new ATOM 0 HA ARG A 74 1.878 -5.630 7.167 1.00 3.44 H new ATOM 0 HB2 ARG A 74 1.985 -6.435 9.529 1.00 44.20 H new ATOM 0 HB3 ARG A 74 3.692 -6.787 9.344 1.00 44.20 H new ATOM 0 HG2 ARG A 74 4.203 -4.393 9.087 1.00 3.44 H new ATOM 0 HG3 ARG A 74 2.498 -3.992 9.123 1.00 3.44 H new ATOM 0 HD2 ARG A 74 4.009 -5.309 11.428 1.00 74.40 H new ATOM 0 HD3 ARG A 74 3.677 -3.592 11.314 1.00 74.40 H new ATOM 0 HE ARG A 74 1.213 -5.063 11.055 1.00 43.52 H new ATOM 0 HH11 ARG A 74 3.610 -4.290 13.510 1.00 62.23 H new ATOM 0 HH12 ARG A 74 2.403 -4.301 14.800 1.00 62.23 H new ATOM 0 HH21 ARG A 74 -0.232 -5.015 12.674 1.00 24.12 H new ATOM 0 HH22 ARG A 74 0.280 -4.703 14.336 1.00 24.12 H new ATOM 1132 N LEU A 75 3.695 -5.134 5.557 1.00 34.41 N ATOM 1133 CA LEU A 75 4.731 -4.588 4.657 1.00 65.32 C ATOM 1134 C LEU A 75 4.925 -3.063 4.921 1.00 13.44 C ATOM 1135 O LEU A 75 4.096 -2.243 4.548 1.00 32.35 O ATOM 1136 CB LEU A 75 4.306 -4.886 3.184 1.00 11.24 C ATOM 1137 CG LEU A 75 5.034 -4.100 2.045 1.00 4.21 C ATOM 1138 CD1 LEU A 75 6.556 -4.264 2.121 1.00 30.04 C ATOM 1139 CD2 LEU A 75 4.498 -4.510 0.659 1.00 31.03 C ATOM 0 H LEU A 75 2.747 -4.960 5.223 1.00 34.41 H new ATOM 0 HA LEU A 75 5.695 -5.062 4.844 1.00 65.32 H new ATOM 0 HB2 LEU A 75 4.450 -5.951 3.002 1.00 11.24 H new ATOM 0 HB3 LEU A 75 3.237 -4.690 3.097 1.00 11.24 H new ATOM 0 HG LEU A 75 4.817 -3.042 2.191 1.00 4.21 H new ATOM 0 HD11 LEU A 75 7.023 -3.702 1.312 1.00 30.04 H new ATOM 0 HD12 LEU A 75 6.915 -3.888 3.079 1.00 30.04 H new ATOM 0 HD13 LEU A 75 6.813 -5.319 2.026 1.00 30.04 H new ATOM 0 HD21 LEU A 75 5.022 -3.948 -0.114 1.00 31.03 H new ATOM 0 HD22 LEU A 75 4.662 -5.577 0.506 1.00 31.03 H new ATOM 0 HD23 LEU A 75 3.431 -4.295 0.604 1.00 31.03 H new ATOM 1151 N VAL A 76 6.057 -2.703 5.534 1.00 20.31 N ATOM 1152 CA VAL A 76 6.359 -1.317 5.977 1.00 72.44 C ATOM 1153 C VAL A 76 7.462 -0.667 5.101 1.00 42.25 C ATOM 1154 O VAL A 76 8.587 -1.162 5.047 1.00 23.21 O ATOM 1155 CB VAL A 76 6.827 -1.302 7.479 1.00 53.02 C ATOM 1156 CG1 VAL A 76 7.057 0.142 7.989 1.00 2.22 C ATOM 1157 CG2 VAL A 76 5.832 -2.063 8.386 1.00 31.32 C ATOM 0 H VAL A 76 6.804 -3.365 5.744 1.00 20.31 H new ATOM 0 HA VAL A 76 5.439 -0.741 5.872 1.00 72.44 H new ATOM 0 HB VAL A 76 7.784 -1.822 7.526 1.00 53.02 H new ATOM 0 HG11 VAL A 76 7.379 0.113 9.030 1.00 2.22 H new ATOM 0 HG12 VAL A 76 7.826 0.623 7.384 1.00 2.22 H new ATOM 0 HG13 VAL A 76 6.128 0.707 7.912 1.00 2.22 H new ATOM 0 HG21 VAL A 76 6.184 -2.034 9.417 1.00 31.32 H new ATOM 0 HG22 VAL A 76 4.851 -1.593 8.324 1.00 31.32 H new ATOM 0 HG23 VAL A 76 5.759 -3.099 8.057 1.00 31.32 H new ATOM 1167 N TYR A 77 7.150 0.469 4.465 1.00 62.14 N ATOM 1168 CA TYR A 77 8.124 1.225 3.643 1.00 12.33 C ATOM 1169 C TYR A 77 8.055 2.750 3.908 1.00 31.51 C ATOM 1170 O TYR A 77 7.288 3.223 4.745 1.00 2.30 O ATOM 1171 CB TYR A 77 7.935 0.901 2.130 1.00 21.13 C ATOM 1172 CG TYR A 77 6.585 1.309 1.494 1.00 50.30 C ATOM 1173 CD1 TYR A 77 6.379 2.600 0.985 1.00 71.14 C ATOM 1174 CD2 TYR A 77 5.531 0.391 1.368 1.00 50.41 C ATOM 1175 CE1 TYR A 77 5.190 2.956 0.379 1.00 3.34 C ATOM 1176 CE2 TYR A 77 4.336 0.749 0.763 1.00 14.25 C ATOM 1177 CZ TYR A 77 4.171 2.030 0.270 1.00 21.35 C ATOM 1178 OH TYR A 77 2.989 2.388 -0.345 1.00 52.02 O ATOM 0 H TYR A 77 6.223 0.894 4.500 1.00 62.14 H new ATOM 0 HA TYR A 77 9.122 0.902 3.940 1.00 12.33 H new ATOM 0 HB2 TYR A 77 8.734 1.392 1.575 1.00 21.13 H new ATOM 0 HB3 TYR A 77 8.064 -0.173 1.993 1.00 21.13 H new ATOM 0 HD1 TYR A 77 7.168 3.332 1.069 1.00 71.14 H new ATOM 0 HD2 TYR A 77 5.653 -0.612 1.749 1.00 50.41 H new ATOM 0 HE1 TYR A 77 5.057 3.955 -0.008 1.00 3.34 H new ATOM 0 HE2 TYR A 77 3.536 0.029 0.677 1.00 14.25 H new ATOM 0 HH TYR A 77 2.985 2.053 -1.266 1.00 52.02 H new ATOM 1188 N THR A 78 8.916 3.491 3.199 1.00 51.33 N ATOM 1189 CA THR A 78 8.968 4.971 3.200 1.00 0.31 C ATOM 1190 C THR A 78 9.068 5.486 1.750 1.00 0.23 C ATOM 1191 O THR A 78 9.380 4.718 0.835 1.00 74.34 O ATOM 1192 CB THR A 78 10.194 5.510 4.033 1.00 32.40 C ATOM 1193 OG1 THR A 78 10.201 6.949 4.051 1.00 62.41 O ATOM 1194 CG2 THR A 78 11.546 5.007 3.483 1.00 74.41 C ATOM 0 H THR A 78 9.618 3.072 2.589 1.00 51.33 H new ATOM 0 HA THR A 78 8.054 5.337 3.668 1.00 0.31 H new ATOM 0 HB THR A 78 10.074 5.124 5.045 1.00 32.40 H new ATOM 0 HG1 THR A 78 9.437 7.273 4.571 1.00 62.41 H new ATOM 0 HG21 THR A 78 12.358 5.406 4.091 1.00 74.41 H new ATOM 0 HG22 THR A 78 11.570 3.918 3.516 1.00 74.41 H new ATOM 0 HG23 THR A 78 11.667 5.341 2.453 1.00 74.41 H new ATOM 1202 N MET A 79 8.780 6.777 1.533 1.00 71.21 N ATOM 1203 CA MET A 79 8.984 7.452 0.228 1.00 61.54 C ATOM 1204 C MET A 79 10.121 8.510 0.365 1.00 54.33 C ATOM 1205 O MET A 79 9.854 9.660 0.726 1.00 31.40 O ATOM 1206 CB MET A 79 7.638 8.079 -0.246 1.00 61.20 C ATOM 1207 CG MET A 79 6.546 7.037 -0.583 1.00 35.30 C ATOM 1208 SD MET A 79 4.869 7.729 -0.644 1.00 32.42 S ATOM 1209 CE MET A 79 5.009 9.014 -1.875 1.00 75.12 C ATOM 0 H MET A 79 8.398 7.390 2.253 1.00 71.21 H new ATOM 0 HA MET A 79 9.295 6.735 -0.532 1.00 61.54 H new ATOM 0 HB2 MET A 79 7.264 8.744 0.533 1.00 61.20 H new ATOM 0 HB3 MET A 79 7.825 8.693 -1.127 1.00 61.20 H new ATOM 0 HG2 MET A 79 6.776 6.581 -1.546 1.00 35.30 H new ATOM 0 HG3 MET A 79 6.574 6.241 0.161 1.00 35.30 H new ATOM 0 HE1 MET A 79 4.625 9.950 -1.469 1.00 75.12 H new ATOM 0 HE2 MET A 79 6.056 9.141 -2.151 1.00 75.12 H new ATOM 0 HE3 MET A 79 4.432 8.737 -2.757 1.00 75.12 H new ATOM 1219 N PRO A 80 11.428 8.104 0.148 1.00 32.15 N ATOM 1220 CA PRO A 80 12.612 9.014 0.279 1.00 70.53 C ATOM 1221 C PRO A 80 12.637 10.155 -0.769 1.00 41.22 C ATOM 1222 O PRO A 80 13.241 11.209 -0.533 1.00 24.02 O ATOM 1223 CB PRO A 80 13.825 8.053 0.090 1.00 23.44 C ATOM 1224 CG PRO A 80 13.276 6.914 -0.715 1.00 34.24 C ATOM 1225 CD PRO A 80 11.863 6.728 -0.211 1.00 10.53 C ATOM 0 HA PRO A 80 12.607 9.540 1.234 1.00 70.53 H new ATOM 0 HB2 PRO A 80 14.646 8.547 -0.429 1.00 23.44 H new ATOM 0 HB3 PRO A 80 14.214 7.711 1.049 1.00 23.44 H new ATOM 0 HG2 PRO A 80 13.289 7.141 -1.781 1.00 34.24 H new ATOM 0 HG3 PRO A 80 13.868 6.010 -0.575 1.00 34.24 H new ATOM 0 HD2 PRO A 80 11.220 6.292 -0.976 1.00 10.53 H new ATOM 0 HD3 PRO A 80 11.831 6.061 0.651 1.00 10.53 H new ATOM 1233 N ASP A 81 11.973 9.940 -1.918 1.00 63.12 N ATOM 1234 CA ASP A 81 11.899 10.944 -2.999 1.00 35.11 C ATOM 1235 C ASP A 81 10.443 11.049 -3.546 1.00 23.43 C ATOM 1236 O ASP A 81 10.103 10.433 -4.571 1.00 74.11 O ATOM 1237 CB ASP A 81 12.930 10.592 -4.107 1.00 15.01 C ATOM 1238 CG ASP A 81 13.110 11.702 -5.151 1.00 51.34 C ATOM 1239 OD1 ASP A 81 13.779 12.710 -4.835 1.00 43.32 O ATOM 1240 OD2 ASP A 81 12.596 11.579 -6.285 1.00 22.24 O ATOM 0 H ASP A 81 11.476 9.074 -2.125 1.00 63.12 H new ATOM 0 HA ASP A 81 12.158 11.928 -2.609 1.00 35.11 H new ATOM 0 HB2 ASP A 81 13.893 10.382 -3.642 1.00 15.01 H new ATOM 0 HB3 ASP A 81 12.613 9.679 -4.610 1.00 15.01 H new ATOM 1245 N PRO A 82 9.531 11.769 -2.807 1.00 64.10 N ATOM 1246 CA PRO A 82 8.153 12.034 -3.263 1.00 62.32 C ATOM 1247 C PRO A 82 7.973 13.424 -3.961 1.00 71.50 C ATOM 1248 O PRO A 82 8.583 14.423 -3.546 1.00 12.21 O ATOM 1249 CB PRO A 82 7.373 11.962 -1.927 1.00 55.00 C ATOM 1250 CG PRO A 82 8.321 12.520 -0.890 1.00 63.42 C ATOM 1251 CD PRO A 82 9.739 12.330 -1.438 1.00 74.13 C ATOM 0 HA PRO A 82 7.820 11.335 -4.030 1.00 62.32 H new ATOM 0 HB2 PRO A 82 6.453 12.545 -1.975 1.00 55.00 H new ATOM 0 HB3 PRO A 82 7.089 10.937 -1.691 1.00 55.00 H new ATOM 0 HG2 PRO A 82 8.116 13.575 -0.706 1.00 63.42 H new ATOM 0 HG3 PRO A 82 8.202 12.002 0.061 1.00 63.42 H new ATOM 0 HD2 PRO A 82 10.282 13.274 -1.473 1.00 74.13 H new ATOM 0 HD3 PRO A 82 10.320 11.651 -0.813 1.00 74.13 H new ATOM 1259 N PRO A 83 7.112 13.520 -5.031 1.00 73.41 N ATOM 1260 CA PRO A 83 6.690 14.826 -5.619 1.00 12.10 C ATOM 1261 C PRO A 83 5.561 15.530 -4.793 1.00 64.32 C ATOM 1262 O PRO A 83 4.775 16.309 -5.340 1.00 14.54 O ATOM 1263 CB PRO A 83 6.202 14.434 -7.057 1.00 23.30 C ATOM 1264 CG PRO A 83 6.510 12.962 -7.209 1.00 54.21 C ATOM 1265 CD PRO A 83 6.545 12.394 -5.808 1.00 24.32 C ATOM 0 HA PRO A 83 7.500 15.556 -5.624 1.00 12.10 H new ATOM 0 HB2 PRO A 83 5.135 14.624 -7.173 1.00 23.30 H new ATOM 0 HB3 PRO A 83 6.715 15.022 -7.818 1.00 23.30 H new ATOM 0 HG2 PRO A 83 5.750 12.465 -7.812 1.00 54.21 H new ATOM 0 HG3 PRO A 83 7.465 12.814 -7.714 1.00 54.21 H new ATOM 0 HD2 PRO A 83 5.552 12.115 -5.456 1.00 24.32 H new ATOM 0 HD3 PRO A 83 7.167 11.501 -5.745 1.00 24.32 H new ATOM 1273 N PHE A 84 5.513 15.268 -3.468 1.00 52.44 N ATOM 1274 CA PHE A 84 4.479 15.794 -2.540 1.00 34.21 C ATOM 1275 C PHE A 84 5.144 16.685 -1.452 1.00 51.14 C ATOM 1276 O PHE A 84 6.316 16.461 -1.127 1.00 31.43 O ATOM 1277 CB PHE A 84 3.731 14.605 -1.868 1.00 0.30 C ATOM 1278 CG PHE A 84 3.059 13.646 -2.849 1.00 31.25 C ATOM 1279 CD1 PHE A 84 1.788 13.916 -3.355 1.00 71.12 C ATOM 1280 CD2 PHE A 84 3.699 12.476 -3.273 1.00 24.35 C ATOM 1281 CE1 PHE A 84 1.182 13.056 -4.253 1.00 1.24 C ATOM 1282 CE2 PHE A 84 3.091 11.616 -4.168 1.00 12.30 C ATOM 1283 CZ PHE A 84 1.833 11.905 -4.660 1.00 43.00 C ATOM 0 H PHE A 84 6.201 14.676 -3.003 1.00 52.44 H new ATOM 0 HA PHE A 84 3.766 16.398 -3.101 1.00 34.21 H new ATOM 0 HB2 PHE A 84 4.439 14.044 -1.258 1.00 0.30 H new ATOM 0 HB3 PHE A 84 2.974 15.003 -1.192 1.00 0.30 H new ATOM 0 HD1 PHE A 84 1.269 14.810 -3.041 1.00 71.12 H new ATOM 0 HD2 PHE A 84 4.683 12.241 -2.895 1.00 24.35 H new ATOM 0 HE1 PHE A 84 0.199 13.283 -4.637 1.00 1.24 H new ATOM 0 HE2 PHE A 84 3.600 10.717 -4.483 1.00 12.30 H new ATOM 0 HZ PHE A 84 1.359 11.234 -5.361 1.00 43.00 H new ATOM 1293 N PRO A 85 4.412 17.697 -0.857 1.00 44.42 N ATOM 1294 CA PRO A 85 4.951 18.587 0.230 1.00 45.10 C ATOM 1295 C PRO A 85 5.043 17.902 1.635 1.00 12.31 C ATOM 1296 O PRO A 85 4.761 18.533 2.664 1.00 24.13 O ATOM 1297 CB PRO A 85 3.934 19.784 0.247 1.00 61.50 C ATOM 1298 CG PRO A 85 3.065 19.592 -0.966 1.00 62.10 C ATOM 1299 CD PRO A 85 3.033 18.104 -1.214 1.00 25.41 C ATOM 0 HA PRO A 85 5.982 18.878 0.028 1.00 45.10 H new ATOM 0 HB2 PRO A 85 3.339 19.780 1.160 1.00 61.50 H new ATOM 0 HB3 PRO A 85 4.454 20.741 0.209 1.00 61.50 H new ATOM 0 HG2 PRO A 85 2.062 19.982 -0.795 1.00 62.10 H new ATOM 0 HG3 PRO A 85 3.471 20.124 -1.827 1.00 62.10 H new ATOM 0 HD2 PRO A 85 2.288 17.604 -0.595 1.00 25.41 H new ATOM 0 HD3 PRO A 85 2.795 17.869 -2.251 1.00 25.41 H new ATOM 1307 N ILE A 86 5.480 16.628 1.673 1.00 2.31 N ATOM 1308 CA ILE A 86 5.540 15.804 2.905 1.00 14.30 C ATOM 1309 C ILE A 86 7.017 15.563 3.336 1.00 64.13 C ATOM 1310 O ILE A 86 7.830 15.083 2.539 1.00 33.40 O ATOM 1311 CB ILE A 86 4.759 14.451 2.676 1.00 52.34 C ATOM 1312 CG1 ILE A 86 5.355 13.618 1.486 1.00 22.15 C ATOM 1313 CG2 ILE A 86 3.256 14.749 2.437 1.00 24.31 C ATOM 1314 CD1 ILE A 86 4.595 12.344 1.137 1.00 4.21 C ATOM 0 H ILE A 86 5.806 16.133 0.843 1.00 2.31 H new ATOM 0 HA ILE A 86 5.056 16.338 3.723 1.00 14.30 H new ATOM 0 HB ILE A 86 4.870 13.844 3.574 1.00 52.34 H new ATOM 0 HG12 ILE A 86 5.391 14.254 0.601 1.00 22.15 H new ATOM 0 HG13 ILE A 86 6.384 13.352 1.730 1.00 22.15 H new ATOM 0 HG21 ILE A 86 2.720 13.813 2.279 1.00 24.31 H new ATOM 0 HG22 ILE A 86 2.844 15.261 3.306 1.00 24.31 H new ATOM 0 HG23 ILE A 86 3.146 15.383 1.557 1.00 24.31 H new ATOM 0 HD11 ILE A 86 5.088 11.843 0.303 1.00 4.21 H new ATOM 0 HD12 ILE A 86 4.581 11.680 2.002 1.00 4.21 H new ATOM 0 HD13 ILE A 86 3.572 12.596 0.856 1.00 4.21 H new ATOM 1326 N THR A 87 7.357 15.930 4.593 1.00 61.00 N ATOM 1327 CA THR A 87 8.763 15.912 5.092 1.00 73.31 C ATOM 1328 C THR A 87 9.318 14.470 5.225 1.00 55.30 C ATOM 1329 O THR A 87 10.221 14.072 4.480 1.00 63.45 O ATOM 1330 CB THR A 87 8.898 16.662 6.469 1.00 30.42 C ATOM 1331 OG1 THR A 87 8.206 17.923 6.427 1.00 75.12 O ATOM 1332 CG2 THR A 87 10.371 16.909 6.855 1.00 34.23 C ATOM 0 H THR A 87 6.679 16.244 5.287 1.00 61.00 H new ATOM 0 HA THR A 87 9.358 16.438 4.345 1.00 73.31 H new ATOM 0 HB THR A 87 8.450 16.016 7.224 1.00 30.42 H new ATOM 0 HG1 THR A 87 7.248 17.775 6.569 1.00 75.12 H new ATOM 0 HG21 THR A 87 10.414 17.429 7.812 1.00 34.23 H new ATOM 0 HG22 THR A 87 10.891 15.954 6.937 1.00 34.23 H new ATOM 0 HG23 THR A 87 10.851 17.518 6.089 1.00 34.23 H new ATOM 1340 N ASN A 88 8.779 13.692 6.185 1.00 33.04 N ATOM 1341 CA ASN A 88 9.104 12.257 6.320 1.00 22.03 C ATOM 1342 C ASN A 88 7.820 11.414 6.137 1.00 65.23 C ATOM 1343 O ASN A 88 6.893 11.479 6.944 1.00 30.41 O ATOM 1344 CB ASN A 88 9.825 11.955 7.674 1.00 1.41 C ATOM 1345 CG ASN A 88 8.994 12.249 8.923 1.00 53.42 C ATOM 1346 OD1 ASN A 88 9.007 13.478 9.378 1.00 34.24 O flip ATOM 1347 ND2 ASN A 88 8.325 11.377 9.463 1.00 3.35 N flip ATOM 0 H ASN A 88 8.115 14.034 6.880 1.00 33.04 H new ATOM 0 HA ASN A 88 9.808 11.978 5.536 1.00 22.03 H new ATOM 0 HB2 ASN A 88 10.117 10.905 7.688 1.00 1.41 H new ATOM 0 HB3 ASN A 88 10.743 12.541 7.719 1.00 1.41 H new ATOM 0 HD21 ASN A 88 8.330 10.427 9.092 1.00 3.35 H new ATOM 0 HD22 ASN A 88 7.763 11.601 10.284 1.00 3.35 H new ATOM 1354 N HIS A 89 7.746 10.688 5.016 1.00 15.44 N ATOM 1355 CA HIS A 89 6.635 9.752 4.733 1.00 42.01 C ATOM 1356 C HIS A 89 6.898 8.357 5.361 1.00 63.21 C ATOM 1357 O HIS A 89 8.049 7.946 5.523 1.00 34.22 O ATOM 1358 CB HIS A 89 6.427 9.624 3.207 1.00 43.00 C ATOM 1359 CG HIS A 89 5.232 8.786 2.843 1.00 54.24 C ATOM 1360 ND1 HIS A 89 5.341 7.435 2.620 1.00 4.21 N ATOM 1361 CD2 HIS A 89 3.931 9.144 2.750 1.00 72.23 C ATOM 1362 CE1 HIS A 89 4.115 7.009 2.402 1.00 61.33 C ATOM 1363 NE2 HIS A 89 3.232 8.010 2.473 1.00 51.14 N ATOM 0 H HIS A 89 8.448 10.727 4.277 1.00 15.44 H new ATOM 0 HA HIS A 89 5.729 10.155 5.185 1.00 42.01 H new ATOM 0 HB2 HIS A 89 6.310 10.619 2.777 1.00 43.00 H new ATOM 0 HB3 HIS A 89 7.320 9.187 2.760 1.00 43.00 H new ATOM 0 HD1 HIS A 89 6.195 6.877 2.623 1.00 4.21 H new ATOM 0 HD2 HIS A 89 3.526 10.138 2.872 1.00 72.23 H new ATOM 0 HE1 HIS A 89 3.855 5.982 2.192 1.00 61.33 H new ATOM 1371 N ARG A 90 5.815 7.648 5.727 1.00 22.52 N ATOM 1372 CA ARG A 90 5.877 6.286 6.296 1.00 33.23 C ATOM 1373 C ARG A 90 4.573 5.516 5.975 1.00 70.34 C ATOM 1374 O ARG A 90 3.502 5.921 6.404 1.00 5.02 O ATOM 1375 CB ARG A 90 6.073 6.387 7.834 1.00 11.04 C ATOM 1376 CG ARG A 90 6.310 5.045 8.555 1.00 32.40 C ATOM 1377 CD ARG A 90 7.637 4.379 8.155 1.00 42.14 C ATOM 1378 NE ARG A 90 7.925 3.202 8.992 1.00 73.13 N ATOM 1379 CZ ARG A 90 9.098 2.888 9.495 1.00 0.13 C ATOM 1380 NH1 ARG A 90 10.150 3.604 9.254 1.00 41.11 N ATOM 1381 NH2 ARG A 90 9.203 1.848 10.241 1.00 13.31 N ATOM 0 H ARG A 90 4.864 8.005 5.636 1.00 22.52 H new ATOM 0 HA ARG A 90 6.715 5.745 5.857 1.00 33.23 H new ATOM 0 HB2 ARG A 90 6.920 7.043 8.034 1.00 11.04 H new ATOM 0 HB3 ARG A 90 5.193 6.863 8.266 1.00 11.04 H new ATOM 0 HG2 ARG A 90 6.302 5.210 9.632 1.00 32.40 H new ATOM 0 HG3 ARG A 90 5.487 4.367 8.331 1.00 32.40 H new ATOM 0 HD2 ARG A 90 7.594 4.080 7.108 1.00 42.14 H new ATOM 0 HD3 ARG A 90 8.449 5.100 8.247 1.00 42.14 H new ATOM 0 HE ARG A 90 7.147 2.576 9.199 1.00 73.13 H new ATOM 0 HH11 ARG A 90 10.079 4.432 8.662 1.00 41.11 H new ATOM 0 HH12 ARG A 90 11.050 3.340 9.656 1.00 41.11 H new ATOM 0 HH21 ARG A 90 8.382 1.276 10.437 1.00 13.31 H new ATOM 0 HH22 ARG A 90 10.108 1.594 10.637 1.00 13.31 H new ATOM 1395 N ALA A 91 4.666 4.412 5.214 1.00 74.10 N ATOM 1396 CA ALA A 91 3.491 3.582 4.849 1.00 33.22 C ATOM 1397 C ALA A 91 3.597 2.135 5.382 1.00 21.24 C ATOM 1398 O ALA A 91 4.690 1.599 5.546 1.00 30.32 O ATOM 1399 CB ALA A 91 3.302 3.578 3.329 1.00 63.00 C ATOM 0 H ALA A 91 5.547 4.067 4.834 1.00 74.10 H new ATOM 0 HA ALA A 91 2.619 4.031 5.324 1.00 33.22 H new ATOM 0 HB1 ALA A 91 2.437 2.966 3.071 1.00 63.00 H new ATOM 0 HB2 ALA A 91 3.142 4.598 2.980 1.00 63.00 H new ATOM 0 HB3 ALA A 91 4.192 3.167 2.853 1.00 63.00 H new ATOM 1405 N VAL A 92 2.430 1.528 5.671 1.00 51.35 N ATOM 1406 CA VAL A 92 2.307 0.115 6.114 1.00 71.10 C ATOM 1407 C VAL A 92 1.146 -0.573 5.339 1.00 43.00 C ATOM 1408 O VAL A 92 0.074 0.003 5.166 1.00 44.30 O ATOM 1409 CB VAL A 92 2.032 0.010 7.670 1.00 60.12 C ATOM 1410 CG1 VAL A 92 1.943 -1.464 8.135 1.00 13.25 C ATOM 1411 CG2 VAL A 92 3.090 0.778 8.502 1.00 60.35 C ATOM 0 H VAL A 92 1.532 2.006 5.604 1.00 51.35 H new ATOM 0 HA VAL A 92 3.252 -0.385 5.903 1.00 71.10 H new ATOM 0 HB VAL A 92 1.065 0.482 7.846 1.00 60.12 H new ATOM 0 HG11 VAL A 92 1.754 -1.496 9.208 1.00 13.25 H new ATOM 0 HG12 VAL A 92 1.130 -1.963 7.608 1.00 13.25 H new ATOM 0 HG13 VAL A 92 2.883 -1.972 7.917 1.00 13.25 H new ATOM 0 HG21 VAL A 92 2.861 0.678 9.563 1.00 60.35 H new ATOM 0 HG22 VAL A 92 4.079 0.365 8.304 1.00 60.35 H new ATOM 0 HG23 VAL A 92 3.075 1.832 8.225 1.00 60.35 H new ATOM 1421 N LEU A 93 1.386 -1.812 4.899 1.00 62.31 N ATOM 1422 CA LEU A 93 0.437 -2.634 4.116 1.00 54.22 C ATOM 1423 C LEU A 93 0.043 -3.853 4.993 1.00 33.32 C ATOM 1424 O LEU A 93 0.872 -4.719 5.203 1.00 54.23 O ATOM 1425 CB LEU A 93 1.149 -3.118 2.791 1.00 74.03 C ATOM 1426 CG LEU A 93 0.288 -3.315 1.488 1.00 44.31 C ATOM 1427 CD1 LEU A 93 -1.094 -3.935 1.767 1.00 2.24 C ATOM 1428 CD2 LEU A 93 0.187 -2.005 0.688 1.00 55.13 C ATOM 0 H LEU A 93 2.268 -2.291 5.079 1.00 62.31 H new ATOM 0 HA LEU A 93 -0.452 -2.065 3.845 1.00 54.22 H new ATOM 0 HB2 LEU A 93 1.936 -2.400 2.560 1.00 74.03 H new ATOM 0 HB3 LEU A 93 1.638 -4.068 3.009 1.00 74.03 H new ATOM 0 HG LEU A 93 0.814 -4.042 0.869 1.00 44.31 H new ATOM 0 HD11 LEU A 93 -1.639 -4.045 0.830 1.00 2.24 H new ATOM 0 HD12 LEU A 93 -0.967 -4.913 2.230 1.00 2.24 H new ATOM 0 HD13 LEU A 93 -1.655 -3.286 2.439 1.00 2.24 H new ATOM 0 HD21 LEU A 93 -0.413 -2.170 -0.207 1.00 55.13 H new ATOM 0 HD22 LEU A 93 -0.283 -1.238 1.304 1.00 55.13 H new ATOM 0 HD23 LEU A 93 1.186 -1.677 0.399 1.00 55.13 H new ATOM 1440 N GLU A 94 -1.195 -3.918 5.507 1.00 12.44 N ATOM 1441 CA GLU A 94 -1.631 -5.019 6.409 1.00 1.11 C ATOM 1442 C GLU A 94 -2.886 -5.733 5.877 1.00 4.12 C ATOM 1443 O GLU A 94 -3.964 -5.147 5.830 1.00 13.41 O ATOM 1444 CB GLU A 94 -1.895 -4.484 7.841 1.00 31.01 C ATOM 1445 CG GLU A 94 -0.635 -3.980 8.569 1.00 12.04 C ATOM 1446 CD GLU A 94 -0.878 -3.685 10.054 1.00 53.32 C ATOM 1447 OE1 GLU A 94 -0.985 -4.656 10.838 1.00 40.43 O ATOM 1448 OE2 GLU A 94 -0.968 -2.498 10.446 1.00 42.02 O ATOM 0 H GLU A 94 -1.919 -3.225 5.319 1.00 12.44 H new ATOM 0 HA GLU A 94 -0.819 -5.746 6.442 1.00 1.11 H new ATOM 0 HB2 GLU A 94 -2.618 -3.671 7.785 1.00 31.01 H new ATOM 0 HB3 GLU A 94 -2.351 -5.276 8.434 1.00 31.01 H new ATOM 0 HG2 GLU A 94 0.154 -4.726 8.477 1.00 12.04 H new ATOM 0 HG3 GLU A 94 -0.276 -3.075 8.079 1.00 12.04 H new ATOM 1455 N VAL A 95 -2.746 -7.020 5.508 1.00 72.31 N ATOM 1456 CA VAL A 95 -3.903 -7.847 5.126 1.00 31.51 C ATOM 1457 C VAL A 95 -4.470 -8.526 6.396 1.00 33.20 C ATOM 1458 O VAL A 95 -3.857 -9.433 6.965 1.00 13.01 O ATOM 1459 CB VAL A 95 -3.523 -8.930 4.051 1.00 4.43 C ATOM 1460 CG1 VAL A 95 -4.785 -9.672 3.537 1.00 75.14 C ATOM 1461 CG2 VAL A 95 -2.716 -8.299 2.884 1.00 33.33 C ATOM 0 H VAL A 95 -1.850 -7.506 5.467 1.00 72.31 H new ATOM 0 HA VAL A 95 -4.657 -7.202 4.674 1.00 31.51 H new ATOM 0 HB VAL A 95 -2.881 -9.670 4.530 1.00 4.43 H new ATOM 0 HG11 VAL A 95 -4.493 -10.415 2.795 1.00 75.14 H new ATOM 0 HG12 VAL A 95 -5.281 -10.168 4.372 1.00 75.14 H new ATOM 0 HG13 VAL A 95 -5.469 -8.955 3.083 1.00 75.14 H new ATOM 0 HG21 VAL A 95 -2.467 -9.070 2.155 1.00 33.33 H new ATOM 0 HG22 VAL A 95 -3.316 -7.526 2.403 1.00 33.33 H new ATOM 0 HG23 VAL A 95 -1.799 -7.857 3.273 1.00 33.33 H new ATOM 1471 N VAL A 96 -5.651 -8.065 6.821 1.00 32.30 N ATOM 1472 CA VAL A 96 -6.302 -8.489 8.075 1.00 21.43 C ATOM 1473 C VAL A 96 -7.310 -9.639 7.798 1.00 41.04 C ATOM 1474 O VAL A 96 -8.280 -9.435 7.060 1.00 14.32 O ATOM 1475 CB VAL A 96 -7.053 -7.270 8.743 1.00 13.44 C ATOM 1476 CG1 VAL A 96 -7.740 -7.670 10.078 1.00 45.12 C ATOM 1477 CG2 VAL A 96 -6.094 -6.063 8.944 1.00 14.21 C ATOM 0 H VAL A 96 -6.193 -7.377 6.299 1.00 32.30 H new ATOM 0 HA VAL A 96 -5.532 -8.849 8.758 1.00 21.43 H new ATOM 0 HB VAL A 96 -7.842 -6.963 8.056 1.00 13.44 H new ATOM 0 HG11 VAL A 96 -8.244 -6.802 10.502 1.00 45.12 H new ATOM 0 HG12 VAL A 96 -8.470 -8.457 9.890 1.00 45.12 H new ATOM 0 HG13 VAL A 96 -6.989 -8.032 10.780 1.00 45.12 H new ATOM 0 HG21 VAL A 96 -6.638 -5.239 9.405 1.00 14.21 H new ATOM 0 HG22 VAL A 96 -5.267 -6.359 9.590 1.00 14.21 H new ATOM 0 HG23 VAL A 96 -5.703 -5.744 7.978 1.00 14.21 H new ATOM 1487 N PRO A 97 -7.107 -10.867 8.382 1.00 4.21 N ATOM 1488 CA PRO A 97 -8.053 -11.992 8.214 1.00 53.33 C ATOM 1489 C PRO A 97 -9.361 -11.776 9.026 1.00 12.23 C ATOM 1490 O PRO A 97 -9.463 -12.146 10.201 1.00 32.13 O ATOM 1491 CB PRO A 97 -7.236 -13.219 8.698 1.00 42.33 C ATOM 1492 CG PRO A 97 -6.273 -12.657 9.707 1.00 51.02 C ATOM 1493 CD PRO A 97 -5.954 -11.246 9.239 1.00 1.43 C ATOM 0 HA PRO A 97 -8.404 -12.109 7.189 1.00 53.33 H new ATOM 0 HB2 PRO A 97 -7.882 -13.975 9.144 1.00 42.33 H new ATOM 0 HB3 PRO A 97 -6.710 -13.697 7.871 1.00 42.33 H new ATOM 0 HG2 PRO A 97 -6.714 -12.647 10.704 1.00 51.02 H new ATOM 0 HG3 PRO A 97 -5.369 -13.263 9.764 1.00 51.02 H new ATOM 0 HD2 PRO A 97 -5.845 -10.564 10.082 1.00 1.43 H new ATOM 0 HD3 PRO A 97 -5.018 -11.215 8.681 1.00 1.43 H new ATOM 1501 N ARG A 98 -10.333 -11.099 8.386 1.00 62.41 N ATOM 1502 CA ARG A 98 -11.678 -10.842 8.954 1.00 61.23 C ATOM 1503 C ARG A 98 -12.454 -12.177 9.136 1.00 5.14 C ATOM 1504 O ARG A 98 -13.220 -12.349 10.093 1.00 1.02 O ATOM 1505 CB ARG A 98 -12.429 -9.834 8.008 1.00 34.40 C ATOM 1506 CG ARG A 98 -13.810 -9.288 8.496 1.00 15.34 C ATOM 1507 CD ARG A 98 -14.990 -10.258 8.260 1.00 4.30 C ATOM 1508 NE ARG A 98 -16.276 -9.726 8.743 1.00 12.12 N ATOM 1509 CZ ARG A 98 -17.242 -10.442 9.294 1.00 34.43 C ATOM 1510 NH1 ARG A 98 -17.092 -11.711 9.541 1.00 13.34 N ATOM 1511 NH2 ARG A 98 -18.350 -9.863 9.612 1.00 64.41 N ATOM 0 H ARG A 98 -10.210 -10.710 7.451 1.00 62.41 H new ATOM 0 HA ARG A 98 -11.599 -10.395 9.945 1.00 61.23 H new ATOM 0 HB2 ARG A 98 -11.772 -8.982 7.833 1.00 34.40 H new ATOM 0 HB3 ARG A 98 -12.580 -10.323 7.046 1.00 34.40 H new ATOM 0 HG2 ARG A 98 -13.745 -9.064 9.561 1.00 15.34 H new ATOM 0 HG3 ARG A 98 -14.018 -8.348 7.985 1.00 15.34 H new ATOM 0 HD2 ARG A 98 -15.069 -10.473 7.194 1.00 4.30 H new ATOM 0 HD3 ARG A 98 -14.782 -11.203 8.762 1.00 4.30 H new ATOM 0 HE ARG A 98 -16.434 -8.723 8.644 1.00 12.12 H new ATOM 0 HH11 ARG A 98 -16.214 -12.175 9.309 1.00 13.34 H new ATOM 0 HH12 ARG A 98 -17.852 -12.241 9.967 1.00 13.34 H new ATOM 0 HH21 ARG A 98 -18.472 -8.865 9.438 1.00 64.41 H new ATOM 0 HH22 ARG A 98 -19.104 -10.403 10.038 1.00 64.41 H new ATOM 1525 N ASP A 99 -12.214 -13.103 8.207 1.00 14.34 N ATOM 1526 CA ASP A 99 -12.894 -14.406 8.118 1.00 53.13 C ATOM 1527 C ASP A 99 -11.917 -15.447 7.503 1.00 11.35 C ATOM 1528 O ASP A 99 -10.866 -15.083 6.969 1.00 14.43 O ATOM 1529 CB ASP A 99 -14.191 -14.224 7.272 1.00 21.02 C ATOM 1530 CG ASP A 99 -14.926 -15.527 6.921 1.00 33.42 C ATOM 1531 OD1 ASP A 99 -15.471 -16.184 7.829 1.00 1.11 O ATOM 1532 OD2 ASP A 99 -14.943 -15.903 5.730 1.00 4.32 O ATOM 0 H ASP A 99 -11.521 -12.968 7.471 1.00 14.34 H new ATOM 0 HA ASP A 99 -13.183 -14.778 9.101 1.00 53.13 H new ATOM 0 HB2 ASP A 99 -14.875 -13.575 7.818 1.00 21.02 H new ATOM 0 HB3 ASP A 99 -13.934 -13.709 6.346 1.00 21.02 H new ATOM 1537 N ASP A 100 -12.255 -16.736 7.621 1.00 60.24 N ATOM 1538 CA ASP A 100 -11.463 -17.845 7.043 1.00 44.32 C ATOM 1539 C ASP A 100 -11.386 -17.756 5.494 1.00 72.12 C ATOM 1540 O ASP A 100 -10.313 -17.935 4.901 1.00 12.22 O ATOM 1541 CB ASP A 100 -12.085 -19.194 7.485 1.00 11.45 C ATOM 1542 CG ASP A 100 -12.006 -19.393 9.007 1.00 13.45 C ATOM 1543 OD1 ASP A 100 -12.831 -18.801 9.741 1.00 72.41 O ATOM 1544 OD2 ASP A 100 -11.107 -20.120 9.482 1.00 24.33 O ATOM 0 H ASP A 100 -13.088 -17.048 8.121 1.00 60.24 H new ATOM 0 HA ASP A 100 -10.441 -17.771 7.414 1.00 44.32 H new ATOM 0 HB2 ASP A 100 -13.127 -19.234 7.168 1.00 11.45 H new ATOM 0 HB3 ASP A 100 -11.568 -20.013 6.985 1.00 11.45 H new ATOM 1549 N ARG A 101 -12.531 -17.466 4.860 1.00 62.05 N ATOM 1550 CA ARG A 101 -12.650 -17.371 3.381 1.00 14.01 C ATOM 1551 C ARG A 101 -12.417 -15.904 2.898 1.00 20.44 C ATOM 1552 O ARG A 101 -12.110 -15.669 1.729 1.00 15.22 O ATOM 1553 CB ARG A 101 -14.071 -17.905 2.940 1.00 44.25 C ATOM 1554 CG ARG A 101 -14.124 -18.665 1.582 1.00 41.34 C ATOM 1555 CD ARG A 101 -13.849 -17.781 0.348 1.00 64.02 C ATOM 1556 NE ARG A 101 -13.675 -18.576 -0.882 1.00 53.31 N ATOM 1557 CZ ARG A 101 -12.724 -18.394 -1.784 1.00 61.30 C ATOM 1558 NH1 ARG A 101 -11.818 -17.472 -1.639 1.00 62.32 N ATOM 1559 NH2 ARG A 101 -12.683 -19.162 -2.826 1.00 30.53 N ATOM 0 H ARG A 101 -13.407 -17.289 5.351 1.00 62.05 H new ATOM 0 HA ARG A 101 -11.882 -17.988 2.915 1.00 14.01 H new ATOM 0 HB2 ARG A 101 -14.446 -18.568 3.720 1.00 44.25 H new ATOM 0 HB3 ARG A 101 -14.755 -17.058 2.886 1.00 44.25 H new ATOM 0 HG2 ARG A 101 -13.395 -19.475 1.604 1.00 41.34 H new ATOM 0 HG3 ARG A 101 -15.107 -19.124 1.474 1.00 41.34 H new ATOM 0 HD2 ARG A 101 -14.675 -17.083 0.213 1.00 64.02 H new ATOM 0 HD3 ARG A 101 -12.953 -17.185 0.523 1.00 64.02 H new ATOM 0 HE ARG A 101 -14.343 -19.328 -1.051 1.00 53.31 H new ATOM 0 HH11 ARG A 101 -11.830 -16.870 -0.816 1.00 62.32 H new ATOM 0 HH12 ARG A 101 -11.095 -17.351 -2.348 1.00 62.32 H new ATOM 0 HH21 ARG A 101 -13.379 -19.898 -2.945 1.00 30.53 H new ATOM 0 HH22 ARG A 101 -11.955 -19.031 -3.528 1.00 30.53 H new ATOM 1573 N HIS A 102 -12.561 -14.911 3.801 1.00 53.01 N ATOM 1574 CA HIS A 102 -12.559 -13.468 3.420 1.00 42.44 C ATOM 1575 C HIS A 102 -11.538 -12.656 4.249 1.00 72.12 C ATOM 1576 O HIS A 102 -11.437 -12.828 5.456 1.00 41.12 O ATOM 1577 CB HIS A 102 -13.983 -12.879 3.601 1.00 62.32 C ATOM 1578 CG HIS A 102 -15.043 -13.642 2.852 1.00 43.05 C ATOM 1579 ND1 HIS A 102 -15.270 -13.772 1.527 1.00 25.22 N flip ATOM 1580 CD2 HIS A 102 -16.009 -14.401 3.471 1.00 41.34 C flip ATOM 1581 CE1 HIS A 102 -16.352 -14.602 1.376 1.00 20.04 C flip ATOM 1582 NE2 HIS A 102 -16.773 -14.967 2.566 1.00 13.31 N flip ATOM 0 H HIS A 102 -12.681 -15.074 4.801 1.00 53.01 H new ATOM 0 HA HIS A 102 -12.261 -13.397 2.374 1.00 42.44 H new ATOM 0 HB2 HIS A 102 -14.233 -12.870 4.662 1.00 62.32 H new ATOM 0 HB3 HIS A 102 -13.985 -11.842 3.264 1.00 62.32 H new ATOM 0 HD2 HIS A 102 -16.122 -14.514 4.539 1.00 41.34 H new ATOM 0 HE1 HIS A 102 -16.786 -14.905 0.435 1.00 20.04 H new ATOM 0 HE2 HIS A 102 -17.561 -15.586 2.755 1.00 13.31 H new ATOM 1591 N CYS A 103 -10.815 -11.739 3.592 1.00 72.43 N ATOM 1592 CA CYS A 103 -9.810 -10.861 4.247 1.00 13.44 C ATOM 1593 C CYS A 103 -10.098 -9.382 3.931 1.00 22.25 C ATOM 1594 O CYS A 103 -11.012 -9.058 3.164 1.00 73.43 O ATOM 1595 CB CYS A 103 -8.379 -11.235 3.791 1.00 54.25 C ATOM 1596 SG CYS A 103 -8.085 -11.042 2.026 1.00 63.23 S ATOM 0 H CYS A 103 -10.904 -11.577 2.589 1.00 72.43 H new ATOM 0 HA CYS A 103 -9.880 -11.008 5.325 1.00 13.44 H new ATOM 0 HB2 CYS A 103 -7.665 -10.617 4.335 1.00 54.25 H new ATOM 0 HB3 CYS A 103 -8.182 -12.270 4.068 1.00 54.25 H new ATOM 0 HG CYS A 103 -8.460 -12.120 1.403 1.00 63.23 H new ATOM 1602 N THR A 104 -9.322 -8.485 4.551 1.00 54.52 N ATOM 1603 CA THR A 104 -9.454 -7.028 4.366 1.00 14.32 C ATOM 1604 C THR A 104 -8.060 -6.387 4.227 1.00 51.30 C ATOM 1605 O THR A 104 -7.307 -6.330 5.194 1.00 25.52 O ATOM 1606 CB THR A 104 -10.232 -6.374 5.565 1.00 3.13 C ATOM 1607 OG1 THR A 104 -11.548 -6.958 5.686 1.00 51.23 O ATOM 1608 CG2 THR A 104 -10.374 -4.846 5.415 1.00 12.34 C ATOM 0 H THR A 104 -8.580 -8.747 5.199 1.00 54.52 H new ATOM 0 HA THR A 104 -10.024 -6.850 3.454 1.00 14.32 H new ATOM 0 HB THR A 104 -9.645 -6.571 6.462 1.00 3.13 H new ATOM 0 HG1 THR A 104 -12.022 -6.544 6.437 1.00 51.23 H new ATOM 0 HG21 THR A 104 -10.919 -4.446 6.270 1.00 12.34 H new ATOM 0 HG22 THR A 104 -9.384 -4.391 5.370 1.00 12.34 H new ATOM 0 HG23 THR A 104 -10.919 -4.619 4.499 1.00 12.34 H new ATOM 1616 N VAL A 105 -7.727 -5.889 3.023 1.00 4.21 N ATOM 1617 CA VAL A 105 -6.389 -5.321 2.739 1.00 43.42 C ATOM 1618 C VAL A 105 -6.360 -3.820 3.096 1.00 31.34 C ATOM 1619 O VAL A 105 -7.068 -3.004 2.495 1.00 31.31 O ATOM 1620 CB VAL A 105 -5.961 -5.544 1.246 1.00 40.04 C ATOM 1621 CG1 VAL A 105 -4.514 -5.050 0.986 1.00 70.02 C ATOM 1622 CG2 VAL A 105 -6.105 -7.028 0.860 1.00 43.33 C ATOM 0 H VAL A 105 -8.365 -5.867 2.227 1.00 4.21 H new ATOM 0 HA VAL A 105 -5.667 -5.848 3.362 1.00 43.42 H new ATOM 0 HB VAL A 105 -6.628 -4.952 0.619 1.00 40.04 H new ATOM 0 HG11 VAL A 105 -4.253 -5.221 -0.058 1.00 70.02 H new ATOM 0 HG12 VAL A 105 -4.448 -3.985 1.207 1.00 70.02 H new ATOM 0 HG13 VAL A 105 -3.822 -5.597 1.627 1.00 70.02 H new ATOM 0 HG21 VAL A 105 -5.804 -7.165 -0.179 1.00 43.33 H new ATOM 0 HG22 VAL A 105 -5.470 -7.635 1.505 1.00 43.33 H new ATOM 0 HG23 VAL A 105 -7.144 -7.336 0.980 1.00 43.33 H new ATOM 1632 N VAL A 106 -5.533 -3.488 4.093 1.00 42.31 N ATOM 1633 CA VAL A 106 -5.436 -2.149 4.693 1.00 60.10 C ATOM 1634 C VAL A 106 -4.138 -1.439 4.232 1.00 1.22 C ATOM 1635 O VAL A 106 -3.038 -1.852 4.590 1.00 20.51 O ATOM 1636 CB VAL A 106 -5.473 -2.259 6.268 1.00 30.43 C ATOM 1637 CG1 VAL A 106 -5.280 -0.887 6.959 1.00 32.00 C ATOM 1638 CG2 VAL A 106 -6.785 -2.940 6.741 1.00 33.24 C ATOM 0 H VAL A 106 -4.894 -4.160 4.518 1.00 42.31 H new ATOM 0 HA VAL A 106 -6.287 -1.555 4.361 1.00 60.10 H new ATOM 0 HB VAL A 106 -4.631 -2.884 6.565 1.00 30.43 H new ATOM 0 HG11 VAL A 106 -5.313 -1.017 8.041 1.00 32.00 H new ATOM 0 HG12 VAL A 106 -4.315 -0.468 6.673 1.00 32.00 H new ATOM 0 HG13 VAL A 106 -6.076 -0.209 6.650 1.00 32.00 H new ATOM 0 HG21 VAL A 106 -6.789 -3.005 7.829 1.00 33.24 H new ATOM 0 HG22 VAL A 106 -7.640 -2.351 6.410 1.00 33.24 H new ATOM 0 HG23 VAL A 106 -6.848 -3.942 6.317 1.00 33.24 H new ATOM 1648 N TRP A 107 -4.276 -0.374 3.425 1.00 55.21 N ATOM 1649 CA TRP A 107 -3.134 0.441 2.965 1.00 11.10 C ATOM 1650 C TRP A 107 -3.098 1.772 3.768 1.00 71.52 C ATOM 1651 O TRP A 107 -3.998 2.609 3.657 1.00 22.04 O ATOM 1652 CB TRP A 107 -3.233 0.688 1.433 1.00 61.13 C ATOM 1653 CG TRP A 107 -1.922 1.021 0.747 1.00 34.02 C ATOM 1654 CD1 TRP A 107 -0.736 1.410 1.325 1.00 11.01 C ATOM 1655 CD2 TRP A 107 -1.674 0.978 -0.663 1.00 63.23 C ATOM 1656 NE1 TRP A 107 0.214 1.612 0.361 1.00 14.13 N ATOM 1657 CE2 TRP A 107 -0.335 1.355 -0.866 1.00 65.11 C ATOM 1658 CE3 TRP A 107 -2.463 0.660 -1.772 1.00 0.34 C ATOM 1659 CZ2 TRP A 107 0.237 1.421 -2.131 1.00 44.45 C ATOM 1660 CZ3 TRP A 107 -1.899 0.727 -3.026 1.00 74.31 C ATOM 1661 CH2 TRP A 107 -0.559 1.106 -3.200 1.00 73.03 C ATOM 0 H TRP A 107 -5.178 -0.053 3.073 1.00 55.21 H new ATOM 0 HA TRP A 107 -2.200 -0.090 3.146 1.00 11.10 H new ATOM 0 HB2 TRP A 107 -3.654 -0.201 0.964 1.00 61.13 H new ATOM 0 HB3 TRP A 107 -3.934 1.504 1.257 1.00 61.13 H new ATOM 0 HD1 TRP A 107 -0.578 1.537 2.386 1.00 11.01 H new ATOM 0 HE1 TRP A 107 1.176 1.907 0.530 1.00 14.13 H new ATOM 0 HE3 TRP A 107 -3.495 0.367 -1.648 1.00 0.34 H new ATOM 0 HZ2 TRP A 107 1.269 1.709 -2.266 1.00 44.45 H new ATOM 0 HZ3 TRP A 107 -2.498 0.484 -3.891 1.00 74.31 H new ATOM 0 HH2 TRP A 107 -0.147 1.150 -4.197 1.00 73.03 H new ATOM 1672 N THR A 108 -2.044 1.936 4.578 1.00 1.42 N ATOM 1673 CA THR A 108 -1.881 3.059 5.531 1.00 33.40 C ATOM 1674 C THR A 108 -0.685 3.947 5.106 1.00 32.25 C ATOM 1675 O THR A 108 0.322 3.417 4.649 1.00 35.00 O ATOM 1676 CB THR A 108 -1.636 2.493 6.978 1.00 51.52 C ATOM 1677 OG1 THR A 108 -2.706 1.594 7.342 1.00 31.14 O ATOM 1678 CG2 THR A 108 -1.511 3.603 8.043 1.00 1.52 C ATOM 0 H THR A 108 -1.261 1.283 4.595 1.00 1.42 H new ATOM 0 HA THR A 108 -2.788 3.663 5.528 1.00 33.40 H new ATOM 0 HB THR A 108 -0.685 1.961 6.952 1.00 51.52 H new ATOM 0 HG1 THR A 108 -2.547 1.244 8.243 1.00 31.14 H new ATOM 0 HG21 THR A 108 -1.343 3.152 9.021 1.00 1.52 H new ATOM 0 HG22 THR A 108 -0.672 4.253 7.794 1.00 1.52 H new ATOM 0 HG23 THR A 108 -2.430 4.189 8.067 1.00 1.52 H new ATOM 1686 N ALA A 109 -0.805 5.287 5.248 1.00 22.54 N ATOM 1687 CA ALA A 109 0.290 6.239 4.921 1.00 55.22 C ATOM 1688 C ALA A 109 0.227 7.523 5.789 1.00 61.51 C ATOM 1689 O ALA A 109 -0.656 8.355 5.618 1.00 14.14 O ATOM 1690 CB ALA A 109 0.249 6.603 3.427 1.00 53.04 C ATOM 0 H ALA A 109 -1.654 5.739 5.589 1.00 22.54 H new ATOM 0 HA ALA A 109 1.233 5.741 5.146 1.00 55.22 H new ATOM 0 HB1 ALA A 109 1.055 7.300 3.200 1.00 53.04 H new ATOM 0 HB2 ALA A 109 0.371 5.700 2.829 1.00 53.04 H new ATOM 0 HB3 ALA A 109 -0.709 7.067 3.192 1.00 53.04 H new ATOM 1696 N MET A 110 1.219 7.691 6.673 1.00 21.21 N ATOM 1697 CA MET A 110 1.339 8.851 7.589 1.00 61.42 C ATOM 1698 C MET A 110 2.641 9.626 7.303 1.00 41.31 C ATOM 1699 O MET A 110 3.680 9.031 7.007 1.00 75.54 O ATOM 1700 CB MET A 110 1.267 8.415 9.084 1.00 54.32 C ATOM 1701 CG MET A 110 2.112 7.190 9.461 1.00 32.12 C ATOM 1702 SD MET A 110 1.435 5.660 8.773 1.00 3.44 S ATOM 1703 CE MET A 110 2.507 4.428 9.503 1.00 30.13 C ATOM 0 H MET A 110 1.978 7.018 6.780 1.00 21.21 H new ATOM 0 HA MET A 110 0.492 9.512 7.405 1.00 61.42 H new ATOM 0 HB2 MET A 110 1.581 9.255 9.704 1.00 54.32 H new ATOM 0 HB3 MET A 110 0.227 8.206 9.333 1.00 54.32 H new ATOM 0 HG2 MET A 110 3.132 7.329 9.102 1.00 32.12 H new ATOM 0 HG3 MET A 110 2.165 7.107 10.547 1.00 32.12 H new ATOM 0 HE1 MET A 110 1.908 3.590 9.859 1.00 30.13 H new ATOM 0 HE2 MET A 110 3.217 4.075 8.755 1.00 30.13 H new ATOM 0 HE3 MET A 110 3.050 4.868 10.340 1.00 30.13 H new ATOM 1713 N PHE A 111 2.569 10.960 7.404 1.00 32.44 N ATOM 1714 CA PHE A 111 3.655 11.874 6.974 1.00 22.31 C ATOM 1715 C PHE A 111 3.654 13.180 7.783 1.00 52.13 C ATOM 1716 O PHE A 111 2.615 13.611 8.287 1.00 52.50 O ATOM 1717 CB PHE A 111 3.532 12.159 5.443 1.00 64.32 C ATOM 1718 CG PHE A 111 2.093 12.364 4.945 1.00 3.11 C ATOM 1719 CD1 PHE A 111 1.358 13.501 5.286 1.00 12.14 C ATOM 1720 CD2 PHE A 111 1.475 11.405 4.142 1.00 1.44 C ATOM 1721 CE1 PHE A 111 0.063 13.666 4.842 1.00 4.14 C ATOM 1722 CE2 PHE A 111 0.183 11.572 3.703 1.00 1.14 C ATOM 1723 CZ PHE A 111 -0.522 12.701 4.052 1.00 30.42 C ATOM 0 H PHE A 111 1.757 11.445 7.786 1.00 32.44 H new ATOM 0 HA PHE A 111 4.610 11.384 7.166 1.00 22.31 H new ATOM 0 HB2 PHE A 111 4.115 13.048 5.204 1.00 64.32 H new ATOM 0 HB3 PHE A 111 3.977 11.329 4.895 1.00 64.32 H new ATOM 0 HD1 PHE A 111 1.810 14.261 5.906 1.00 12.14 H new ATOM 0 HD2 PHE A 111 2.021 10.517 3.861 1.00 1.44 H new ATOM 0 HE1 PHE A 111 -0.492 14.552 5.114 1.00 4.14 H new ATOM 0 HE2 PHE A 111 -0.279 10.817 3.084 1.00 1.14 H new ATOM 0 HZ PHE A 111 -1.537 12.831 3.706 1.00 30.42 H new ATOM 1733 N ASP A 112 4.835 13.808 7.901 1.00 21.30 N ATOM 1734 CA ASP A 112 4.983 15.106 8.577 1.00 4.33 C ATOM 1735 C ASP A 112 4.572 16.250 7.622 1.00 31.02 C ATOM 1736 O ASP A 112 5.399 16.785 6.869 1.00 11.03 O ATOM 1737 CB ASP A 112 6.434 15.271 9.081 1.00 32.32 C ATOM 1738 CG ASP A 112 6.652 16.541 9.920 1.00 22.42 C ATOM 1739 OD1 ASP A 112 6.186 16.580 11.080 1.00 64.12 O ATOM 1740 OD2 ASP A 112 7.302 17.494 9.439 1.00 41.43 O ATOM 0 H ASP A 112 5.709 13.433 7.533 1.00 21.30 H new ATOM 0 HA ASP A 112 4.323 15.147 9.443 1.00 4.33 H new ATOM 0 HB2 ASP A 112 6.704 14.400 9.678 1.00 32.32 H new ATOM 0 HB3 ASP A 112 7.108 15.291 8.224 1.00 32.32 H new ATOM 1745 N CYS A 113 3.262 16.549 7.609 1.00 54.23 N ATOM 1746 CA CYS A 113 2.692 17.634 6.777 1.00 64.40 C ATOM 1747 C CYS A 113 1.414 18.241 7.411 1.00 64.41 C ATOM 1748 O CYS A 113 0.743 17.597 8.231 1.00 34.55 O ATOM 1749 CB CYS A 113 2.386 17.096 5.364 1.00 4.21 C ATOM 1750 SG CYS A 113 1.910 18.364 4.179 1.00 73.11 S ATOM 0 H CYS A 113 2.569 16.052 8.169 1.00 54.23 H new ATOM 0 HA CYS A 113 3.431 18.433 6.714 1.00 64.40 H new ATOM 0 HB2 CYS A 113 3.266 16.575 4.987 1.00 4.21 H new ATOM 0 HB3 CYS A 113 1.585 16.360 5.433 1.00 4.21 H new ATOM 0 HG CYS A 113 2.913 18.623 3.394 1.00 73.11 H new ATOM 1756 N SER A 114 1.092 19.493 7.009 1.00 53.05 N ATOM 1757 CA SER A 114 -0.086 20.253 7.521 1.00 63.03 C ATOM 1758 C SER A 114 -1.432 19.549 7.192 1.00 3.45 C ATOM 1759 O SER A 114 -1.551 18.932 6.131 1.00 35.40 O ATOM 1760 CB SER A 114 -0.096 21.686 6.928 1.00 35.42 C ATOM 1761 OG SER A 114 1.067 22.404 7.286 1.00 73.42 O ATOM 0 H SER A 114 1.638 20.010 6.320 1.00 53.05 H new ATOM 0 HA SER A 114 0.010 20.297 8.606 1.00 63.03 H new ATOM 0 HB2 SER A 114 -0.170 21.631 5.842 1.00 35.42 H new ATOM 0 HB3 SER A 114 -0.978 22.221 7.281 1.00 35.42 H new ATOM 0 HG SER A 114 1.030 23.302 6.895 1.00 73.42 H new ATOM 1767 N PRO A 115 -2.485 19.651 8.088 1.00 61.34 N ATOM 1768 CA PRO A 115 -3.805 18.972 7.879 1.00 2.35 C ATOM 1769 C PRO A 115 -4.549 19.425 6.589 1.00 35.15 C ATOM 1770 O PRO A 115 -5.319 18.652 6.016 1.00 61.33 O ATOM 1771 CB PRO A 115 -4.614 19.342 9.155 1.00 40.41 C ATOM 1772 CG PRO A 115 -3.950 20.584 9.674 1.00 33.40 C ATOM 1773 CD PRO A 115 -2.479 20.411 9.374 1.00 42.23 C ATOM 0 HA PRO A 115 -3.677 17.899 7.736 1.00 2.35 H new ATOM 0 HB2 PRO A 115 -5.664 19.521 8.921 1.00 40.41 H new ATOM 0 HB3 PRO A 115 -4.584 18.539 9.891 1.00 40.41 H new ATOM 0 HG2 PRO A 115 -4.348 21.474 9.187 1.00 33.40 H new ATOM 0 HG3 PRO A 115 -4.121 20.703 10.744 1.00 33.40 H new ATOM 0 HD2 PRO A 115 -1.972 21.371 9.273 1.00 42.23 H new ATOM 0 HD3 PRO A 115 -1.968 19.862 10.165 1.00 42.23 H new ATOM 1781 N GLU A 116 -4.321 20.681 6.151 1.00 43.54 N ATOM 1782 CA GLU A 116 -4.916 21.221 4.897 1.00 41.43 C ATOM 1783 C GLU A 116 -4.338 20.534 3.636 1.00 61.33 C ATOM 1784 O GLU A 116 -5.048 20.330 2.643 1.00 21.34 O ATOM 1785 CB GLU A 116 -4.707 22.747 4.817 1.00 15.44 C ATOM 1786 CG GLU A 116 -5.424 23.534 5.926 1.00 60.23 C ATOM 1787 CD GLU A 116 -5.301 25.054 5.755 1.00 72.23 C ATOM 1788 OE1 GLU A 116 -4.320 25.644 6.260 1.00 73.42 O ATOM 1789 OE2 GLU A 116 -6.176 25.658 5.096 1.00 63.42 O ATOM 0 H GLU A 116 -3.728 21.347 6.645 1.00 43.54 H new ATOM 0 HA GLU A 116 -5.984 21.006 4.926 1.00 41.43 H new ATOM 0 HB2 GLU A 116 -3.639 22.960 4.866 1.00 15.44 H new ATOM 0 HB3 GLU A 116 -5.059 23.102 3.848 1.00 15.44 H new ATOM 0 HG2 GLU A 116 -6.479 23.259 5.936 1.00 60.23 H new ATOM 0 HG3 GLU A 116 -5.011 23.248 6.893 1.00 60.23 H new ATOM 1796 N THR A 117 -3.045 20.190 3.690 1.00 43.21 N ATOM 1797 CA THR A 117 -2.383 19.384 2.641 1.00 62.53 C ATOM 1798 C THR A 117 -2.814 17.904 2.758 1.00 62.51 C ATOM 1799 O THR A 117 -3.101 17.242 1.760 1.00 71.53 O ATOM 1800 CB THR A 117 -0.821 19.479 2.756 1.00 2.34 C ATOM 1801 OG1 THR A 117 -0.412 20.858 2.863 1.00 14.02 O ATOM 1802 CG2 THR A 117 -0.102 18.826 1.553 1.00 33.21 C ATOM 0 H THR A 117 -2.426 20.458 4.455 1.00 43.21 H new ATOM 0 HA THR A 117 -2.687 19.781 1.672 1.00 62.53 H new ATOM 0 HB THR A 117 -0.536 18.932 3.655 1.00 2.34 H new ATOM 0 HG1 THR A 117 0.564 20.905 2.936 1.00 14.02 H new ATOM 0 HG21 THR A 117 0.977 18.918 1.680 1.00 33.21 H new ATOM 0 HG22 THR A 117 -0.372 17.771 1.496 1.00 33.21 H new ATOM 0 HG23 THR A 117 -0.403 19.327 0.633 1.00 33.21 H new ATOM 1810 N ALA A 118 -2.900 17.431 4.016 1.00 5.31 N ATOM 1811 CA ALA A 118 -3.186 16.017 4.352 1.00 14.01 C ATOM 1812 C ALA A 118 -4.610 15.577 3.935 1.00 41.21 C ATOM 1813 O ALA A 118 -4.795 14.445 3.509 1.00 32.50 O ATOM 1814 CB ALA A 118 -2.967 15.777 5.851 1.00 11.31 C ATOM 0 H ALA A 118 -2.772 18.022 4.837 1.00 5.31 H new ATOM 0 HA ALA A 118 -2.490 15.405 3.779 1.00 14.01 H new ATOM 0 HB1 ALA A 118 -3.180 14.734 6.087 1.00 11.31 H new ATOM 0 HB2 ALA A 118 -1.932 16.003 6.108 1.00 11.31 H new ATOM 0 HB3 ALA A 118 -3.633 16.422 6.424 1.00 11.31 H new ATOM 1820 N ARG A 119 -5.606 16.489 4.047 1.00 51.22 N ATOM 1821 CA ARG A 119 -7.016 16.204 3.647 1.00 3.20 C ATOM 1822 C ARG A 119 -7.149 16.082 2.110 1.00 54.33 C ATOM 1823 O ARG A 119 -7.968 15.297 1.607 1.00 41.50 O ATOM 1824 CB ARG A 119 -7.995 17.284 4.188 1.00 62.24 C ATOM 1825 CG ARG A 119 -7.731 18.719 3.676 1.00 44.40 C ATOM 1826 CD ARG A 119 -8.767 19.740 4.182 1.00 30.32 C ATOM 1827 NE ARG A 119 -10.122 19.464 3.669 1.00 40.12 N ATOM 1828 CZ ARG A 119 -11.203 20.158 3.962 1.00 41.43 C ATOM 1829 NH1 ARG A 119 -11.157 21.189 4.752 1.00 43.32 N ATOM 1830 NH2 ARG A 119 -12.332 19.813 3.443 1.00 51.54 N ATOM 0 H ARG A 119 -5.464 17.431 4.411 1.00 51.22 H new ATOM 0 HA ARG A 119 -7.287 15.248 4.094 1.00 3.20 H new ATOM 0 HB2 ARG A 119 -9.012 16.999 3.918 1.00 62.24 H new ATOM 0 HB3 ARG A 119 -7.943 17.287 5.277 1.00 62.24 H new ATOM 0 HG2 ARG A 119 -6.736 19.033 3.991 1.00 44.40 H new ATOM 0 HG3 ARG A 119 -7.735 18.716 2.586 1.00 44.40 H new ATOM 0 HD2 ARG A 119 -8.784 19.727 5.272 1.00 30.32 H new ATOM 0 HD3 ARG A 119 -8.464 20.742 3.880 1.00 30.32 H new ATOM 0 HE ARG A 119 -10.231 18.672 3.036 1.00 40.12 H new ATOM 0 HH11 ARG A 119 -10.269 21.478 5.162 1.00 43.32 H new ATOM 0 HH12 ARG A 119 -12.009 21.709 4.962 1.00 43.32 H new ATOM 0 HH21 ARG A 119 -12.380 19.011 2.814 1.00 51.54 H new ATOM 0 HH22 ARG A 119 -13.177 20.342 3.661 1.00 51.54 H new ATOM 1844 N GLU A 120 -6.334 16.874 1.379 1.00 43.12 N ATOM 1845 CA GLU A 120 -6.201 16.753 -0.088 1.00 53.22 C ATOM 1846 C GLU A 120 -5.602 15.377 -0.445 1.00 54.14 C ATOM 1847 O GLU A 120 -6.051 14.719 -1.373 1.00 11.25 O ATOM 1848 CB GLU A 120 -5.310 17.893 -0.664 1.00 11.02 C ATOM 1849 CG GLU A 120 -5.022 17.780 -2.184 1.00 52.32 C ATOM 1850 CD GLU A 120 -4.096 18.880 -2.731 1.00 24.03 C ATOM 1851 OE1 GLU A 120 -2.922 18.942 -2.307 1.00 21.00 O ATOM 1852 OE2 GLU A 120 -4.529 19.688 -3.586 1.00 43.23 O ATOM 0 H GLU A 120 -5.755 17.609 1.786 1.00 43.12 H new ATOM 0 HA GLU A 120 -7.192 16.842 -0.533 1.00 53.22 H new ATOM 0 HB2 GLU A 120 -5.795 18.849 -0.469 1.00 11.02 H new ATOM 0 HB3 GLU A 120 -4.361 17.902 -0.127 1.00 11.02 H new ATOM 0 HG2 GLU A 120 -4.573 16.808 -2.387 1.00 52.32 H new ATOM 0 HG3 GLU A 120 -5.967 17.813 -2.726 1.00 52.32 H new ATOM 1859 N LEU A 121 -4.599 14.951 0.336 1.00 53.14 N ATOM 1860 CA LEU A 121 -3.894 13.671 0.126 1.00 53.32 C ATOM 1861 C LEU A 121 -4.742 12.457 0.560 1.00 33.14 C ATOM 1862 O LEU A 121 -4.560 11.379 0.023 1.00 51.13 O ATOM 1863 CB LEU A 121 -2.517 13.685 0.836 1.00 73.20 C ATOM 1864 CG LEU A 121 -1.533 14.797 0.343 1.00 62.32 C ATOM 1865 CD1 LEU A 121 -0.185 14.742 1.082 1.00 55.20 C ATOM 1866 CD2 LEU A 121 -1.336 14.735 -1.188 1.00 31.35 C ATOM 0 H LEU A 121 -4.250 15.483 1.134 1.00 53.14 H new ATOM 0 HA LEU A 121 -3.726 13.562 -0.945 1.00 53.32 H new ATOM 0 HB2 LEU A 121 -2.678 13.811 1.907 1.00 73.20 H new ATOM 0 HB3 LEU A 121 -2.043 12.713 0.697 1.00 73.20 H new ATOM 0 HG LEU A 121 -1.991 15.757 0.582 1.00 62.32 H new ATOM 0 HD11 LEU A 121 0.467 15.531 0.708 1.00 55.20 H new ATOM 0 HD12 LEU A 121 -0.350 14.883 2.150 1.00 55.20 H new ATOM 0 HD13 LEU A 121 0.284 13.773 0.912 1.00 55.20 H new ATOM 0 HD21 LEU A 121 -0.647 15.521 -1.498 1.00 31.35 H new ATOM 0 HD22 LEU A 121 -0.926 13.763 -1.463 1.00 31.35 H new ATOM 0 HD23 LEU A 121 -2.296 14.877 -1.684 1.00 31.35 H new ATOM 1878 N GLU A 122 -5.673 12.630 1.515 1.00 34.04 N ATOM 1879 CA GLU A 122 -6.651 11.569 1.872 1.00 5.35 C ATOM 1880 C GLU A 122 -7.607 11.295 0.687 1.00 11.43 C ATOM 1881 O GLU A 122 -7.994 10.151 0.429 1.00 34.31 O ATOM 1882 CB GLU A 122 -7.452 11.958 3.147 1.00 53.21 C ATOM 1883 CG GLU A 122 -6.620 11.979 4.442 1.00 23.24 C ATOM 1884 CD GLU A 122 -7.427 12.383 5.689 1.00 61.02 C ATOM 1885 OE1 GLU A 122 -7.612 13.600 5.922 1.00 52.24 O ATOM 1886 OE2 GLU A 122 -7.875 11.488 6.447 1.00 5.33 O ATOM 0 H GLU A 122 -5.774 13.489 2.056 1.00 34.04 H new ATOM 0 HA GLU A 122 -6.099 10.655 2.089 1.00 5.35 H new ATOM 0 HB2 GLU A 122 -7.893 12.944 2.997 1.00 53.21 H new ATOM 0 HB3 GLU A 122 -8.276 11.256 3.271 1.00 53.21 H new ATOM 0 HG2 GLU A 122 -6.190 10.991 4.603 1.00 23.24 H new ATOM 0 HG3 GLU A 122 -5.788 12.672 4.318 1.00 23.24 H new ATOM 1893 N SER A 123 -7.976 12.370 -0.022 1.00 65.40 N ATOM 1894 CA SER A 123 -8.769 12.286 -1.266 1.00 61.51 C ATOM 1895 C SER A 123 -7.951 11.657 -2.436 1.00 21.11 C ATOM 1896 O SER A 123 -8.328 10.611 -2.974 1.00 32.34 O ATOM 1897 CB SER A 123 -9.273 13.698 -1.661 1.00 43.25 C ATOM 1898 OG SER A 123 -10.027 14.304 -0.615 1.00 25.54 O ATOM 0 H SER A 123 -7.736 13.324 0.246 1.00 65.40 H new ATOM 0 HA SER A 123 -9.621 11.633 -1.077 1.00 61.51 H new ATOM 0 HB2 SER A 123 -8.421 14.331 -1.909 1.00 43.25 H new ATOM 0 HB3 SER A 123 -9.888 13.626 -2.558 1.00 43.25 H new ATOM 0 HG SER A 123 -9.418 14.633 0.079 1.00 25.54 H new ATOM 1904 N VAL A 124 -6.820 12.300 -2.796 1.00 25.44 N ATOM 1905 CA VAL A 124 -5.998 11.923 -3.976 1.00 51.41 C ATOM 1906 C VAL A 124 -5.202 10.607 -3.750 1.00 62.33 C ATOM 1907 O VAL A 124 -5.361 9.646 -4.506 1.00 33.21 O ATOM 1908 CB VAL A 124 -5.002 13.094 -4.347 1.00 52.03 C ATOM 1909 CG1 VAL A 124 -4.087 12.720 -5.546 1.00 65.50 C ATOM 1910 CG2 VAL A 124 -5.770 14.416 -4.625 1.00 13.50 C ATOM 0 H VAL A 124 -6.447 13.096 -2.279 1.00 25.44 H new ATOM 0 HA VAL A 124 -6.688 11.750 -4.802 1.00 51.41 H new ATOM 0 HB VAL A 124 -4.356 13.251 -3.483 1.00 52.03 H new ATOM 0 HG11 VAL A 124 -3.419 13.552 -5.767 1.00 65.50 H new ATOM 0 HG12 VAL A 124 -3.498 11.839 -5.293 1.00 65.50 H new ATOM 0 HG13 VAL A 124 -4.702 12.506 -6.420 1.00 65.50 H new ATOM 0 HG21 VAL A 124 -5.060 15.203 -4.877 1.00 13.50 H new ATOM 0 HG22 VAL A 124 -6.459 14.269 -5.457 1.00 13.50 H new ATOM 0 HG23 VAL A 124 -6.331 14.705 -3.736 1.00 13.50 H new ATOM 1920 N ILE A 125 -4.371 10.565 -2.696 1.00 30.21 N ATOM 1921 CA ILE A 125 -3.529 9.381 -2.386 1.00 53.44 C ATOM 1922 C ILE A 125 -4.386 8.253 -1.752 1.00 40.11 C ATOM 1923 O ILE A 125 -4.326 7.107 -2.191 1.00 24.24 O ATOM 1924 CB ILE A 125 -2.318 9.747 -1.432 1.00 13.21 C ATOM 1925 CG1 ILE A 125 -1.372 10.798 -2.096 1.00 43.21 C ATOM 1926 CG2 ILE A 125 -1.525 8.490 -0.994 1.00 44.42 C ATOM 1927 CD1 ILE A 125 -0.158 11.188 -1.247 1.00 53.33 C ATOM 0 H ILE A 125 -4.259 11.336 -2.038 1.00 30.21 H new ATOM 0 HA ILE A 125 -3.112 9.027 -3.329 1.00 53.44 H new ATOM 0 HB ILE A 125 -2.744 10.193 -0.533 1.00 13.21 H new ATOM 0 HG12 ILE A 125 -1.021 10.401 -3.048 1.00 43.21 H new ATOM 0 HG13 ILE A 125 -1.948 11.697 -2.318 1.00 43.21 H new ATOM 0 HG21 ILE A 125 -0.704 8.787 -0.341 1.00 44.42 H new ATOM 0 HG22 ILE A 125 -2.187 7.810 -0.458 1.00 44.42 H new ATOM 0 HG23 ILE A 125 -1.125 7.987 -1.874 1.00 44.42 H new ATOM 0 HD11 ILE A 125 0.442 11.921 -1.786 1.00 53.33 H new ATOM 0 HD12 ILE A 125 -0.496 11.618 -0.304 1.00 53.33 H new ATOM 0 HD13 ILE A 125 0.445 10.303 -1.046 1.00 53.33 H new ATOM 1939 N GLY A 126 -5.200 8.615 -0.741 1.00 71.50 N ATOM 1940 CA GLY A 126 -5.996 7.647 0.032 1.00 11.42 C ATOM 1941 C GLY A 126 -7.056 6.897 -0.786 1.00 65.01 C ATOM 1942 O GLY A 126 -7.168 5.676 -0.691 1.00 52.25 O ATOM 0 H GLY A 126 -5.323 9.582 -0.440 1.00 71.50 H new ATOM 0 HA2 GLY A 126 -5.322 6.919 0.483 1.00 11.42 H new ATOM 0 HA3 GLY A 126 -6.491 8.173 0.849 1.00 11.42 H new ATOM 1946 N ASP A 127 -7.853 7.624 -1.584 1.00 22.03 N ATOM 1947 CA ASP A 127 -8.922 7.004 -2.400 1.00 11.02 C ATOM 1948 C ASP A 127 -8.492 6.847 -3.883 1.00 43.41 C ATOM 1949 O ASP A 127 -8.534 5.739 -4.435 1.00 12.32 O ATOM 1950 CB ASP A 127 -10.234 7.816 -2.278 1.00 33.23 C ATOM 1951 CG ASP A 127 -11.441 7.068 -2.874 1.00 43.40 C ATOM 1952 OD1 ASP A 127 -11.938 6.116 -2.224 1.00 14.15 O ATOM 1953 OD2 ASP A 127 -11.885 7.400 -3.993 1.00 63.02 O ATOM 0 H ASP A 127 -7.783 8.637 -1.685 1.00 22.03 H new ATOM 0 HA ASP A 127 -9.102 6.001 -2.012 1.00 11.02 H new ATOM 0 HB2 ASP A 127 -10.427 8.035 -1.228 1.00 33.23 H new ATOM 0 HB3 ASP A 127 -10.115 8.773 -2.786 1.00 33.23 H new ATOM 1958 N GLY A 128 -8.053 7.958 -4.496 1.00 71.05 N ATOM 1959 CA GLY A 128 -7.738 8.006 -5.937 1.00 21.40 C ATOM 1960 C GLY A 128 -6.550 7.133 -6.383 1.00 32.13 C ATOM 1961 O GLY A 128 -6.449 6.793 -7.564 1.00 3.04 O ATOM 0 H GLY A 128 -7.906 8.844 -4.012 1.00 71.05 H new ATOM 0 HA2 GLY A 128 -8.622 7.699 -6.495 1.00 21.40 H new ATOM 0 HA3 GLY A 128 -7.530 9.040 -6.212 1.00 21.40 H new ATOM 1965 N VAL A 129 -5.638 6.797 -5.449 1.00 74.25 N ATOM 1966 CA VAL A 129 -4.477 5.905 -5.724 1.00 14.41 C ATOM 1967 C VAL A 129 -4.619 4.551 -4.975 1.00 11.41 C ATOM 1968 O VAL A 129 -4.559 3.476 -5.594 1.00 32.01 O ATOM 1969 CB VAL A 129 -3.117 6.598 -5.323 1.00 72.42 C ATOM 1970 CG1 VAL A 129 -1.891 5.676 -5.580 1.00 20.23 C ATOM 1971 CG2 VAL A 129 -2.947 7.960 -6.049 1.00 20.21 C ATOM 0 H VAL A 129 -5.678 7.130 -4.486 1.00 74.25 H new ATOM 0 HA VAL A 129 -4.467 5.711 -6.797 1.00 14.41 H new ATOM 0 HB VAL A 129 -3.161 6.785 -4.250 1.00 72.42 H new ATOM 0 HG11 VAL A 129 -0.978 6.195 -5.289 1.00 20.23 H new ATOM 0 HG12 VAL A 129 -1.992 4.764 -4.992 1.00 20.23 H new ATOM 0 HG13 VAL A 129 -1.842 5.422 -6.639 1.00 20.23 H new ATOM 0 HG21 VAL A 129 -2.001 8.414 -5.753 1.00 20.21 H new ATOM 0 HG22 VAL A 129 -2.952 7.801 -7.127 1.00 20.21 H new ATOM 0 HG23 VAL A 129 -3.769 8.623 -5.777 1.00 20.21 H new ATOM 1981 N PHE A 130 -4.813 4.624 -3.641 1.00 33.52 N ATOM 1982 CA PHE A 130 -4.830 3.433 -2.753 1.00 13.13 C ATOM 1983 C PHE A 130 -6.105 2.602 -2.928 1.00 62.31 C ATOM 1984 O PHE A 130 -6.021 1.438 -3.300 1.00 21.34 O ATOM 1985 CB PHE A 130 -4.673 3.831 -1.250 1.00 34.15 C ATOM 1986 CG PHE A 130 -3.295 4.313 -0.802 1.00 1.22 C ATOM 1987 CD1 PHE A 130 -2.241 4.502 -1.701 1.00 43.20 C ATOM 1988 CD2 PHE A 130 -3.056 4.565 0.550 1.00 32.43 C ATOM 1989 CE1 PHE A 130 -1.001 4.920 -1.260 1.00 55.40 C ATOM 1990 CE2 PHE A 130 -1.819 4.979 0.989 1.00 11.00 C ATOM 1991 CZ PHE A 130 -0.789 5.157 0.085 1.00 25.35 C ATOM 0 H PHE A 130 -4.962 5.504 -3.147 1.00 33.52 H new ATOM 0 HA PHE A 130 -3.976 2.824 -3.049 1.00 13.13 H new ATOM 0 HB2 PHE A 130 -5.395 4.617 -1.030 1.00 34.15 H new ATOM 0 HB3 PHE A 130 -4.945 2.969 -0.641 1.00 34.15 H new ATOM 0 HD1 PHE A 130 -2.399 4.319 -2.754 1.00 43.20 H new ATOM 0 HD2 PHE A 130 -3.856 4.433 1.264 1.00 32.43 H new ATOM 0 HE1 PHE A 130 -0.196 5.062 -1.966 1.00 55.40 H new ATOM 0 HE2 PHE A 130 -1.653 5.165 2.040 1.00 11.00 H new ATOM 0 HZ PHE A 130 0.182 5.481 0.430 1.00 25.35 H new ATOM 2001 N ALA A 131 -7.282 3.219 -2.672 1.00 42.11 N ATOM 2002 CA ALA A 131 -8.591 2.509 -2.739 1.00 52.40 C ATOM 2003 C ALA A 131 -8.827 1.891 -4.130 1.00 65.25 C ATOM 2004 O ALA A 131 -9.359 0.795 -4.246 1.00 55.11 O ATOM 2005 CB ALA A 131 -9.745 3.446 -2.378 1.00 50.21 C ATOM 0 H ALA A 131 -7.357 4.204 -2.417 1.00 42.11 H new ATOM 0 HA ALA A 131 -8.556 1.701 -2.008 1.00 52.40 H new ATOM 0 HB1 ALA A 131 -10.687 2.901 -2.435 1.00 50.21 H new ATOM 0 HB2 ALA A 131 -9.605 3.823 -1.365 1.00 50.21 H new ATOM 0 HB3 ALA A 131 -9.766 4.283 -3.076 1.00 50.21 H new ATOM 2011 N VAL A 132 -8.371 2.611 -5.163 1.00 44.21 N ATOM 2012 CA VAL A 132 -8.369 2.145 -6.562 1.00 51.33 C ATOM 2013 C VAL A 132 -7.551 0.830 -6.737 1.00 61.50 C ATOM 2014 O VAL A 132 -8.049 -0.153 -7.311 1.00 52.15 O ATOM 2015 CB VAL A 132 -7.796 3.293 -7.476 1.00 4.24 C ATOM 2016 CG1 VAL A 132 -7.378 2.785 -8.866 1.00 51.50 C ATOM 2017 CG2 VAL A 132 -8.812 4.455 -7.597 1.00 35.43 C ATOM 0 H VAL A 132 -7.986 3.549 -5.052 1.00 44.21 H new ATOM 0 HA VAL A 132 -9.392 1.913 -6.858 1.00 51.33 H new ATOM 0 HB VAL A 132 -6.893 3.665 -6.991 1.00 4.24 H new ATOM 0 HG11 VAL A 132 -6.990 3.616 -9.456 1.00 51.50 H new ATOM 0 HG12 VAL A 132 -6.605 2.025 -8.758 1.00 51.50 H new ATOM 0 HG13 VAL A 132 -8.243 2.354 -9.371 1.00 51.50 H new ATOM 0 HG21 VAL A 132 -8.396 5.237 -8.232 1.00 35.43 H new ATOM 0 HG22 VAL A 132 -9.738 4.084 -8.037 1.00 35.43 H new ATOM 0 HG23 VAL A 132 -9.018 4.863 -6.607 1.00 35.43 H new ATOM 2027 N GLY A 133 -6.307 0.829 -6.215 1.00 13.42 N ATOM 2028 CA GLY A 133 -5.432 -0.353 -6.257 1.00 70.22 C ATOM 2029 C GLY A 133 -5.984 -1.538 -5.459 1.00 34.14 C ATOM 2030 O GLY A 133 -5.916 -2.687 -5.900 1.00 51.14 O ATOM 0 H GLY A 133 -5.888 1.639 -5.758 1.00 13.42 H new ATOM 0 HA2 GLY A 133 -5.290 -0.656 -7.294 1.00 70.22 H new ATOM 0 HA3 GLY A 133 -4.450 -0.085 -5.866 1.00 70.22 H new ATOM 2034 N LEU A 134 -6.564 -1.225 -4.291 1.00 53.25 N ATOM 2035 CA LEU A 134 -7.176 -2.208 -3.374 1.00 33.32 C ATOM 2036 C LEU A 134 -8.433 -2.868 -3.989 1.00 52.32 C ATOM 2037 O LEU A 134 -8.681 -4.058 -3.775 1.00 43.14 O ATOM 2038 CB LEU A 134 -7.539 -1.513 -2.035 1.00 12.22 C ATOM 2039 CG LEU A 134 -6.348 -0.954 -1.196 1.00 22.52 C ATOM 2040 CD1 LEU A 134 -6.850 -0.294 0.106 1.00 64.23 C ATOM 2041 CD2 LEU A 134 -5.300 -2.049 -0.914 1.00 45.24 C ATOM 0 H LEU A 134 -6.624 -0.266 -3.948 1.00 53.25 H new ATOM 0 HA LEU A 134 -6.448 -2.999 -3.195 1.00 33.32 H new ATOM 0 HB2 LEU A 134 -8.220 -0.690 -2.251 1.00 12.22 H new ATOM 0 HB3 LEU A 134 -8.086 -2.226 -1.418 1.00 12.22 H new ATOM 0 HG LEU A 134 -5.855 -0.181 -1.785 1.00 22.52 H new ATOM 0 HD11 LEU A 134 -6.000 0.087 0.672 1.00 64.23 H new ATOM 0 HD12 LEU A 134 -7.521 0.529 -0.139 1.00 64.23 H new ATOM 0 HD13 LEU A 134 -7.384 -1.032 0.705 1.00 64.23 H new ATOM 0 HD21 LEU A 134 -4.483 -1.628 -0.328 1.00 45.24 H new ATOM 0 HD22 LEU A 134 -5.765 -2.863 -0.357 1.00 45.24 H new ATOM 0 HD23 LEU A 134 -4.910 -2.431 -1.857 1.00 45.24 H new ATOM 2053 N ASN A 135 -9.213 -2.078 -4.760 1.00 74.53 N ATOM 2054 CA ASN A 135 -10.426 -2.578 -5.448 1.00 43.25 C ATOM 2055 C ASN A 135 -10.041 -3.553 -6.580 1.00 1.21 C ATOM 2056 O ASN A 135 -10.639 -4.617 -6.701 1.00 64.13 O ATOM 2057 CB ASN A 135 -11.294 -1.415 -6.003 1.00 34.45 C ATOM 2058 CG ASN A 135 -11.974 -0.578 -4.912 1.00 63.54 C ATOM 2059 OD1 ASN A 135 -12.312 -1.072 -3.838 1.00 44.51 O ATOM 2060 ND2 ASN A 135 -12.181 0.701 -5.177 1.00 53.53 N ATOM 0 H ASN A 135 -9.024 -1.089 -4.922 1.00 74.53 H new ATOM 0 HA ASN A 135 -11.026 -3.112 -4.711 1.00 43.25 H new ATOM 0 HB2 ASN A 135 -10.666 -0.763 -6.611 1.00 34.45 H new ATOM 0 HB3 ASN A 135 -12.058 -1.826 -6.662 1.00 34.45 H new ATOM 0 HD21 ASN A 135 -12.630 1.299 -4.483 1.00 53.53 H new ATOM 0 HD22 ASN A 135 -11.892 1.089 -6.075 1.00 53.53 H new ATOM 2067 N ALA A 136 -9.007 -3.193 -7.374 1.00 14.42 N ATOM 2068 CA ALA A 136 -8.469 -4.062 -8.457 1.00 0.20 C ATOM 2069 C ALA A 136 -7.888 -5.382 -7.893 1.00 22.11 C ATOM 2070 O ALA A 136 -8.024 -6.453 -8.504 1.00 31.01 O ATOM 2071 CB ALA A 136 -7.404 -3.304 -9.261 1.00 30.34 C ATOM 0 H ALA A 136 -8.522 -2.300 -7.287 1.00 14.42 H new ATOM 0 HA ALA A 136 -9.294 -4.324 -9.119 1.00 0.20 H new ATOM 0 HB1 ALA A 136 -7.017 -3.948 -10.050 1.00 30.34 H new ATOM 0 HB2 ALA A 136 -7.849 -2.413 -9.705 1.00 30.34 H new ATOM 0 HB3 ALA A 136 -6.589 -3.011 -8.599 1.00 30.34 H new ATOM 2077 N LEU A 137 -7.260 -5.285 -6.710 1.00 23.15 N ATOM 2078 CA LEU A 137 -6.757 -6.450 -5.952 1.00 52.42 C ATOM 2079 C LEU A 137 -7.932 -7.358 -5.516 1.00 20.15 C ATOM 2080 O LEU A 137 -7.854 -8.582 -5.586 1.00 73.11 O ATOM 2081 CB LEU A 137 -5.928 -5.947 -4.727 1.00 42.34 C ATOM 2082 CG LEU A 137 -5.179 -7.032 -3.864 1.00 73.33 C ATOM 2083 CD1 LEU A 137 -3.950 -6.436 -3.150 1.00 14.15 C ATOM 2084 CD2 LEU A 137 -6.101 -7.728 -2.832 1.00 45.22 C ATOM 0 H LEU A 137 -7.084 -4.393 -6.247 1.00 23.15 H new ATOM 0 HA LEU A 137 -6.105 -7.050 -6.586 1.00 52.42 H new ATOM 0 HB2 LEU A 137 -5.187 -5.236 -5.091 1.00 42.34 H new ATOM 0 HB3 LEU A 137 -6.600 -5.398 -4.068 1.00 42.34 H new ATOM 0 HG LEU A 137 -4.847 -7.792 -4.571 1.00 73.33 H new ATOM 0 HD11 LEU A 137 -3.458 -7.212 -2.564 1.00 14.15 H new ATOM 0 HD12 LEU A 137 -3.253 -6.044 -3.891 1.00 14.15 H new ATOM 0 HD13 LEU A 137 -4.269 -5.630 -2.489 1.00 14.15 H new ATOM 0 HD21 LEU A 137 -5.527 -8.464 -2.269 1.00 45.22 H new ATOM 0 HD22 LEU A 137 -6.507 -6.984 -2.147 1.00 45.22 H new ATOM 0 HD23 LEU A 137 -6.919 -8.227 -3.353 1.00 45.22 H new ATOM 2096 N ALA A 138 -9.010 -6.739 -5.053 1.00 62.52 N ATOM 2097 CA ALA A 138 -10.211 -7.461 -4.600 1.00 60.22 C ATOM 2098 C ALA A 138 -11.006 -8.087 -5.783 1.00 61.22 C ATOM 2099 O ALA A 138 -11.661 -9.131 -5.624 1.00 31.22 O ATOM 2100 CB ALA A 138 -11.077 -6.504 -3.789 1.00 25.30 C ATOM 0 H ALA A 138 -9.085 -5.725 -4.977 1.00 62.52 H new ATOM 0 HA ALA A 138 -9.903 -8.298 -3.974 1.00 60.22 H new ATOM 0 HB1 ALA A 138 -11.971 -7.024 -3.446 1.00 25.30 H new ATOM 0 HB2 ALA A 138 -10.514 -6.144 -2.928 1.00 25.30 H new ATOM 0 HB3 ALA A 138 -11.366 -5.658 -4.412 1.00 25.30 H new ATOM 2106 N GLU A 139 -10.930 -7.445 -6.975 1.00 33.31 N ATOM 2107 CA GLU A 139 -11.627 -7.909 -8.200 1.00 64.24 C ATOM 2108 C GLU A 139 -11.014 -9.209 -8.772 1.00 13.13 C ATOM 2109 O GLU A 139 -11.759 -10.120 -9.158 1.00 21.40 O ATOM 2110 CB GLU A 139 -11.665 -6.788 -9.279 1.00 44.24 C ATOM 2111 CG GLU A 139 -12.596 -5.609 -8.933 1.00 44.54 C ATOM 2112 CD GLU A 139 -12.535 -4.469 -9.970 1.00 10.10 C ATOM 2113 OE1 GLU A 139 -11.531 -3.726 -9.987 1.00 14.14 O ATOM 2114 OE2 GLU A 139 -13.474 -4.322 -10.784 1.00 40.41 O ATOM 0 H GLU A 139 -10.386 -6.594 -7.114 1.00 33.31 H new ATOM 0 HA GLU A 139 -12.651 -8.143 -7.911 1.00 64.24 H new ATOM 0 HB2 GLU A 139 -10.654 -6.407 -9.427 1.00 44.24 H new ATOM 0 HB3 GLU A 139 -11.984 -7.222 -10.227 1.00 44.24 H new ATOM 0 HG2 GLU A 139 -13.621 -5.972 -8.860 1.00 44.54 H new ATOM 0 HG3 GLU A 139 -12.327 -5.216 -7.953 1.00 44.54 H new ATOM 2121 N ARG A 140 -9.666 -9.312 -8.780 1.00 62.23 N ATOM 2122 CA ARG A 140 -8.957 -10.513 -9.324 1.00 13.53 C ATOM 2123 C ARG A 140 -9.256 -11.803 -8.504 1.00 31.11 C ATOM 2124 O ARG A 140 -9.158 -12.913 -9.031 1.00 33.12 O ATOM 2125 CB ARG A 140 -7.416 -10.291 -9.397 1.00 12.30 C ATOM 2126 CG ARG A 140 -6.762 -9.848 -8.059 1.00 64.32 C ATOM 2127 CD ARG A 140 -5.351 -10.419 -7.818 1.00 2.14 C ATOM 2128 NE ARG A 140 -4.388 -10.076 -8.876 1.00 41.13 N ATOM 2129 CZ ARG A 140 -3.446 -10.877 -9.334 1.00 52.45 C ATOM 2130 NH1 ARG A 140 -3.374 -12.121 -8.966 1.00 23.11 N ATOM 2131 NH2 ARG A 140 -2.609 -10.433 -10.199 1.00 31.14 N ATOM 0 H ARG A 140 -9.043 -8.589 -8.421 1.00 62.23 H new ATOM 0 HA ARG A 140 -9.344 -10.652 -10.333 1.00 13.53 H new ATOM 0 HB2 ARG A 140 -6.944 -11.216 -9.728 1.00 12.30 H new ATOM 0 HB3 ARG A 140 -7.206 -9.537 -10.156 1.00 12.30 H new ATOM 0 HG2 ARG A 140 -6.708 -8.760 -8.038 1.00 64.32 H new ATOM 0 HG3 ARG A 140 -7.408 -10.151 -7.235 1.00 64.32 H new ATOM 0 HD2 ARG A 140 -4.977 -10.049 -6.864 1.00 2.14 H new ATOM 0 HD3 ARG A 140 -5.416 -11.504 -7.736 1.00 2.14 H new ATOM 0 HE ARG A 140 -4.454 -9.145 -9.288 1.00 41.13 H new ATOM 0 HH11 ARG A 140 -4.056 -12.499 -8.308 1.00 23.11 H new ATOM 0 HH12 ARG A 140 -2.635 -12.720 -9.335 1.00 23.11 H new ATOM 0 HH21 ARG A 140 -2.676 -9.469 -10.526 1.00 31.14 H new ATOM 0 HH22 ARG A 140 -1.876 -11.044 -10.560 1.00 31.14 H new ATOM 2145 N TYR A 141 -9.584 -11.644 -7.204 1.00 34.51 N ATOM 2146 CA TYR A 141 -9.967 -12.781 -6.326 1.00 75.14 C ATOM 2147 C TYR A 141 -11.482 -13.094 -6.404 1.00 12.13 C ATOM 2148 O TYR A 141 -11.871 -14.264 -6.295 1.00 73.31 O ATOM 2149 CB TYR A 141 -9.549 -12.514 -4.861 1.00 25.42 C ATOM 2150 CG TYR A 141 -8.030 -12.543 -4.625 1.00 5.23 C ATOM 2151 CD1 TYR A 141 -7.328 -13.754 -4.598 1.00 13.12 C ATOM 2152 CD2 TYR A 141 -7.307 -11.376 -4.401 1.00 62.51 C ATOM 2153 CE1 TYR A 141 -5.968 -13.789 -4.361 1.00 54.22 C ATOM 2154 CE2 TYR A 141 -5.953 -11.403 -4.166 1.00 73.12 C ATOM 2155 CZ TYR A 141 -5.283 -12.610 -4.145 1.00 24.23 C ATOM 2156 OH TYR A 141 -3.925 -12.637 -3.921 1.00 3.33 O ATOM 0 H TYR A 141 -9.592 -10.739 -6.734 1.00 34.51 H new ATOM 0 HA TYR A 141 -9.431 -13.657 -6.691 1.00 75.14 H new ATOM 0 HB2 TYR A 141 -9.934 -11.541 -4.556 1.00 25.42 H new ATOM 0 HB3 TYR A 141 -10.020 -13.259 -4.219 1.00 25.42 H new ATOM 0 HD1 TYR A 141 -7.860 -14.679 -4.766 1.00 13.12 H new ATOM 0 HD2 TYR A 141 -7.822 -10.427 -4.412 1.00 62.51 H new ATOM 0 HE1 TYR A 141 -5.443 -14.733 -4.345 1.00 54.22 H new ATOM 0 HE2 TYR A 141 -5.414 -10.482 -3.998 1.00 73.12 H new ATOM 0 HH TYR A 141 -3.646 -13.552 -3.710 1.00 3.33 H new ATOM 2166 N GLY A 142 -12.335 -12.062 -6.577 1.00 63.20 N ATOM 2167 CA GLY A 142 -13.794 -12.291 -6.670 1.00 31.33 C ATOM 2168 C GLY A 142 -14.662 -11.036 -6.522 1.00 62.51 C ATOM 2169 O GLY A 142 -15.606 -11.035 -5.725 1.00 22.42 O ATOM 0 H GLY A 142 -12.050 -11.086 -6.654 1.00 63.20 H new ATOM 0 HA2 GLY A 142 -14.013 -12.753 -7.633 1.00 31.33 H new ATOM 0 HA3 GLY A 142 -14.083 -13.006 -5.900 1.00 31.33 H new