USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 12 THR OG1 : rot -28:sc= 0.0886 USER MOD Single : A 14 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.025) USER MOD Single : A 15 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00805 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -120:sc= 0.519 (180deg=-0.115) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00726 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00634 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 79:sc= 0.915 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0398) USER MOD Single : A 38 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.17) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0515 K(o=-0.052,f=-3.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0835 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0193) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 70 ASN : amide:sc= -0.231 K(o=-0.23,f=-4.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 79 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.059) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0342 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 12 0.478 -0.336 -0.031 1.00 22.11 N ATOM 2 CA THR A 12 1.264 -0.124 -1.240 1.00 11.21 C ATOM 3 C THR A 12 0.450 -0.447 -2.488 1.00 45.10 C ATOM 4 O THR A 12 -0.343 -1.388 -2.497 1.00 31.11 O ATOM 5 CB THR A 12 2.542 -0.983 -1.237 1.00 62.33 C ATOM 6 OG1 THR A 12 2.203 -2.366 -1.085 1.00 75.04 O ATOM 7 CG2 THR A 12 3.477 -0.559 -0.115 1.00 21.23 C ATOM 0 HA THR A 12 1.544 0.929 -1.255 1.00 11.21 H new ATOM 0 HB THR A 12 3.053 -0.837 -2.189 1.00 62.33 H new ATOM 0 HG1 THR A 12 1.364 -2.444 -0.585 1.00 75.04 H new ATOM 0 HG21 THR A 12 4.373 -1.180 -0.133 1.00 21.23 H new ATOM 0 HG22 THR A 12 3.757 0.486 -0.250 1.00 21.23 H new ATOM 0 HG23 THR A 12 2.972 -0.678 0.844 1.00 21.23 H new ATOM 15 N ASP A 13 0.653 0.338 -3.540 1.00 42.31 N ATOM 16 CA ASP A 13 -0.061 0.134 -4.795 1.00 43.33 C ATOM 17 C ASP A 13 0.915 0.021 -5.963 1.00 35.01 C ATOM 18 O ASP A 13 1.796 0.864 -6.133 1.00 62.31 O ATOM 19 CB ASP A 13 -1.040 1.283 -5.042 1.00 60.13 C ATOM 20 CG ASP A 13 -0.344 2.627 -5.138 1.00 33.54 C ATOM 21 OD1 ASP A 13 0.187 3.094 -4.108 1.00 51.45 O ATOM 22 OD2 ASP A 13 -0.330 3.210 -6.241 1.00 72.24 O ATOM 0 H ASP A 13 1.306 1.121 -3.549 1.00 42.31 H new ATOM 0 HA ASP A 13 -0.619 -0.799 -4.720 1.00 43.33 H new ATOM 0 HB2 ASP A 13 -1.590 1.096 -5.964 1.00 60.13 H new ATOM 0 HB3 ASP A 13 -1.772 1.313 -4.235 1.00 60.13 H new ATOM 27 N HIS A 14 0.751 -1.027 -6.764 1.00 50.24 N ATOM 28 CA HIS A 14 1.617 -1.251 -7.916 1.00 44.22 C ATOM 29 C HIS A 14 0.797 -1.383 -9.196 1.00 10.13 C ATOM 30 O HIS A 14 -0.220 -2.076 -9.223 1.00 3.24 O ATOM 31 CB HIS A 14 2.464 -2.507 -7.708 1.00 0.25 C ATOM 32 CG HIS A 14 1.677 -3.686 -7.223 1.00 43.23 C ATOM 33 ND1 HIS A 14 1.813 -4.212 -5.956 1.00 12.31 N ATOM 34 CD2 HIS A 14 0.741 -4.440 -7.844 1.00 73.41 C ATOM 35 CE1 HIS A 14 0.995 -5.240 -5.819 1.00 11.04 C ATOM 36 NE2 HIS A 14 0.332 -5.399 -6.950 1.00 65.51 N ATOM 0 H HIS A 14 0.027 -1.734 -6.637 1.00 50.24 H new ATOM 0 HA HIS A 14 2.277 -0.389 -8.015 1.00 44.22 H new ATOM 0 HB2 HIS A 14 2.951 -2.767 -8.648 1.00 0.25 H new ATOM 0 HB3 HIS A 14 3.254 -2.288 -6.990 1.00 0.25 H new ATOM 0 HD2 HIS A 14 0.382 -4.312 -8.855 1.00 73.41 H new ATOM 0 HE1 HIS A 14 0.887 -5.847 -4.933 1.00 11.04 H new ATOM 0 HE2 HIS A 14 -0.370 -6.117 -7.130 1.00 65.51 H new ATOM 44 N GLN A 15 1.246 -0.713 -10.252 1.00 74.14 N ATOM 45 CA GLN A 15 0.551 -0.755 -11.534 1.00 65.10 C ATOM 46 C GLN A 15 1.499 -1.175 -12.653 1.00 31.52 C ATOM 47 O GLN A 15 2.581 -0.609 -12.811 1.00 53.42 O ATOM 48 CB GLN A 15 -0.059 0.611 -11.853 1.00 25.04 C ATOM 49 CG GLN A 15 0.973 1.717 -12.006 1.00 70.03 C ATOM 50 CD GLN A 15 0.346 3.096 -12.063 1.00 51.03 C ATOM 51 OE1 GLN A 15 -0.014 3.583 -13.135 1.00 53.04 O ATOM 52 NE2 GLN A 15 0.212 3.734 -10.906 1.00 72.14 N ATOM 0 H GLN A 15 2.087 -0.135 -10.246 1.00 74.14 H new ATOM 0 HA GLN A 15 -0.247 -1.493 -11.462 1.00 65.10 H new ATOM 0 HB2 GLN A 15 -0.638 0.535 -12.774 1.00 25.04 H new ATOM 0 HB3 GLN A 15 -0.756 0.883 -11.060 1.00 25.04 H new ATOM 0 HG2 GLN A 15 1.672 1.674 -11.171 1.00 70.03 H new ATOM 0 HG3 GLN A 15 1.551 1.547 -12.915 1.00 70.03 H new ATOM 0 HE21 GLN A 15 0.524 3.293 -10.041 1.00 72.14 H new ATOM 0 HE22 GLN A 15 -0.203 4.665 -10.882 1.00 72.14 H new ATOM 61 N THR A 16 1.086 -2.174 -13.428 1.00 0.14 N ATOM 62 CA THR A 16 1.898 -2.671 -14.531 1.00 22.53 C ATOM 63 C THR A 16 1.025 -3.123 -15.696 1.00 44.00 C ATOM 64 O THR A 16 0.059 -3.863 -15.511 1.00 21.01 O ATOM 65 CB THR A 16 2.790 -3.846 -14.086 1.00 73.54 C ATOM 66 OG1 THR A 16 3.487 -3.505 -12.884 1.00 3.45 O ATOM 67 CG2 THR A 16 3.790 -4.208 -15.174 1.00 4.32 C ATOM 0 H THR A 16 0.194 -2.654 -13.311 1.00 0.14 H new ATOM 0 HA THR A 16 2.532 -1.845 -14.855 1.00 22.53 H new ATOM 0 HB THR A 16 2.150 -4.709 -13.901 1.00 73.54 H new ATOM 0 HG1 THR A 16 4.050 -4.258 -12.608 1.00 3.45 H new ATOM 0 HG21 THR A 16 4.409 -5.040 -14.837 1.00 4.32 H new ATOM 0 HG22 THR A 16 3.255 -4.497 -16.079 1.00 4.32 H new ATOM 0 HG23 THR A 16 4.424 -3.347 -15.387 1.00 4.32 H new ATOM 75 N VAL A 17 1.372 -2.673 -16.898 1.00 20.40 N ATOM 76 CA VAL A 17 0.621 -3.033 -18.095 1.00 13.13 C ATOM 77 C VAL A 17 1.458 -3.899 -19.029 1.00 54.04 C ATOM 78 O VAL A 17 2.678 -3.750 -19.105 1.00 15.02 O ATOM 79 CB VAL A 17 0.148 -1.781 -18.858 1.00 22.31 C ATOM 80 CG1 VAL A 17 -0.739 -2.173 -20.030 1.00 21.43 C ATOM 81 CG2 VAL A 17 -0.581 -0.830 -17.921 1.00 73.31 C ATOM 0 H VAL A 17 2.168 -2.059 -17.068 1.00 20.40 H new ATOM 0 HA VAL A 17 -0.250 -3.598 -17.764 1.00 13.13 H new ATOM 0 HB VAL A 17 1.023 -1.265 -19.253 1.00 22.31 H new ATOM 0 HG11 VAL A 17 -1.063 -1.276 -20.557 1.00 21.43 H new ATOM 0 HG12 VAL A 17 -0.179 -2.812 -20.713 1.00 21.43 H new ATOM 0 HG13 VAL A 17 -1.611 -2.713 -19.661 1.00 21.43 H new ATOM 0 HG21 VAL A 17 -0.908 0.049 -18.477 1.00 73.31 H new ATOM 0 HG22 VAL A 17 -1.449 -1.333 -17.495 1.00 73.31 H new ATOM 0 HG23 VAL A 17 0.091 -0.523 -17.119 1.00 73.31 H new ATOM 91 N TYR A 18 0.794 -4.804 -19.740 1.00 44.14 N ATOM 92 CA TYR A 18 1.477 -5.696 -20.670 1.00 22.13 C ATOM 93 C TYR A 18 1.122 -5.354 -22.114 1.00 22.34 C ATOM 94 O TYR A 18 -0.052 -5.250 -22.469 1.00 0.24 O ATOM 95 CB TYR A 18 1.112 -7.152 -20.374 1.00 13.31 C ATOM 96 CG TYR A 18 1.225 -7.519 -18.912 1.00 22.34 C ATOM 97 CD1 TYR A 18 2.418 -8.003 -18.388 1.00 33.25 C ATOM 98 CD2 TYR A 18 0.140 -7.384 -18.054 1.00 43.25 C ATOM 99 CE1 TYR A 18 2.526 -8.341 -17.052 1.00 61.13 C ATOM 100 CE2 TYR A 18 0.240 -7.718 -16.718 1.00 11.22 C ATOM 101 CZ TYR A 18 1.435 -8.196 -16.222 1.00 33.15 C ATOM 102 OH TYR A 18 1.538 -8.531 -14.891 1.00 34.22 O ATOM 0 H TYR A 18 -0.216 -4.939 -19.690 1.00 44.14 H new ATOM 0 HA TYR A 18 2.551 -5.564 -20.538 1.00 22.13 H new ATOM 0 HB2 TYR A 18 0.091 -7.337 -20.709 1.00 13.31 H new ATOM 0 HB3 TYR A 18 1.762 -7.806 -20.955 1.00 13.31 H new ATOM 0 HD1 TYR A 18 3.275 -8.117 -19.035 1.00 33.25 H new ATOM 0 HD2 TYR A 18 -0.798 -7.011 -18.439 1.00 43.25 H new ATOM 0 HE1 TYR A 18 3.460 -8.717 -16.661 1.00 61.13 H new ATOM 0 HE2 TYR A 18 -0.613 -7.606 -16.065 1.00 11.22 H new ATOM 0 HH TYR A 18 0.680 -8.369 -14.445 1.00 34.22 H new ATOM 112 N VAL A 19 2.147 -5.182 -22.943 1.00 15.50 N ATOM 113 CA VAL A 19 1.945 -4.853 -24.349 1.00 73.21 C ATOM 114 C VAL A 19 2.726 -5.801 -25.252 1.00 74.23 C ATOM 115 O VAL A 19 3.812 -6.259 -24.899 1.00 23.40 O ATOM 116 CB VAL A 19 2.370 -3.405 -24.654 1.00 10.41 C ATOM 117 CG1 VAL A 19 2.019 -3.035 -26.087 1.00 61.21 C ATOM 118 CG2 VAL A 19 1.720 -2.441 -23.672 1.00 23.30 C ATOM 0 H VAL A 19 3.125 -5.265 -22.665 1.00 15.50 H new ATOM 0 HA VAL A 19 0.879 -4.960 -24.549 1.00 73.21 H new ATOM 0 HB VAL A 19 3.451 -3.331 -24.540 1.00 10.41 H new ATOM 0 HG11 VAL A 19 2.327 -2.008 -26.284 1.00 61.21 H new ATOM 0 HG12 VAL A 19 2.535 -3.706 -26.773 1.00 61.21 H new ATOM 0 HG13 VAL A 19 0.943 -3.125 -26.233 1.00 61.21 H new ATOM 0 HG21 VAL A 19 2.031 -1.422 -23.902 1.00 23.30 H new ATOM 0 HG22 VAL A 19 0.636 -2.516 -23.752 1.00 23.30 H new ATOM 0 HG23 VAL A 19 2.027 -2.694 -22.657 1.00 23.30 H new ATOM 128 N LYS A 20 2.165 -6.092 -26.421 1.00 52.13 N ATOM 129 CA LYS A 20 2.808 -6.984 -27.378 1.00 62.33 C ATOM 130 C LYS A 20 4.246 -6.551 -27.644 1.00 63.04 C ATOM 131 O LYS A 20 4.616 -5.392 -27.454 1.00 24.44 O ATOM 132 CB LYS A 20 2.021 -7.011 -28.691 1.00 22.25 C ATOM 133 CG LYS A 20 1.587 -5.636 -29.168 1.00 20.13 C ATOM 134 CD LYS A 20 1.626 -5.534 -30.683 1.00 50.22 C ATOM 135 CE LYS A 20 2.992 -5.081 -31.176 1.00 54.24 C ATOM 136 NZ LYS A 20 3.535 -5.993 -32.221 1.00 11.05 N ATOM 0 H LYS A 20 1.265 -5.722 -26.728 1.00 52.13 H new ATOM 0 HA LYS A 20 2.822 -7.986 -26.950 1.00 62.33 H new ATOM 0 HB2 LYS A 20 2.634 -7.477 -29.463 1.00 22.25 H new ATOM 0 HB3 LYS A 20 1.138 -7.637 -28.563 1.00 22.25 H new ATOM 0 HG2 LYS A 20 0.577 -5.429 -28.814 1.00 20.13 H new ATOM 0 HG3 LYS A 20 2.238 -4.877 -28.734 1.00 20.13 H new ATOM 0 HD2 LYS A 20 1.383 -6.502 -31.120 1.00 50.22 H new ATOM 0 HD3 LYS A 20 0.864 -4.831 -31.021 1.00 50.22 H new ATOM 0 HE2 LYS A 20 2.916 -4.071 -31.579 1.00 54.24 H new ATOM 0 HE3 LYS A 20 3.685 -5.038 -30.336 1.00 54.24 H new ATOM 0 HZ1 LYS A 20 4.437 -6.396 -31.895 1.00 11.05 H new ATOM 0 HZ2 LYS A 20 2.856 -6.761 -32.398 1.00 11.05 H new ATOM 0 HZ3 LYS A 20 3.692 -5.460 -33.100 1.00 11.05 H new ATOM 150 N PRO A 21 5.077 -7.501 -28.097 1.00 64.52 N ATOM 151 CA PRO A 21 6.488 -7.241 -28.401 1.00 55.32 C ATOM 152 C PRO A 21 6.662 -6.363 -29.636 1.00 14.33 C ATOM 153 O PRO A 21 5.727 -6.178 -30.416 1.00 21.34 O ATOM 154 CB PRO A 21 7.060 -8.638 -28.654 1.00 2.45 C ATOM 155 CG PRO A 21 5.892 -9.453 -29.089 1.00 31.12 C ATOM 156 CD PRO A 21 4.704 -8.904 -28.348 1.00 4.23 C ATOM 0 HA PRO A 21 6.986 -6.701 -27.595 1.00 55.32 H new ATOM 0 HB2 PRO A 21 7.835 -8.616 -29.421 1.00 2.45 H new ATOM 0 HB3 PRO A 21 7.515 -9.048 -27.753 1.00 2.45 H new ATOM 0 HG2 PRO A 21 5.746 -9.382 -30.167 1.00 31.12 H new ATOM 0 HG3 PRO A 21 6.044 -10.507 -28.857 1.00 31.12 H new ATOM 0 HD2 PRO A 21 3.792 -8.978 -28.940 1.00 4.23 H new ATOM 0 HD3 PRO A 21 4.525 -9.445 -27.419 1.00 4.23 H new ATOM 164 N VAL A 22 7.864 -5.823 -29.808 1.00 22.12 N ATOM 165 CA VAL A 22 8.161 -4.965 -30.949 1.00 22.42 C ATOM 166 C VAL A 22 9.083 -5.668 -31.939 1.00 42.11 C ATOM 167 O VAL A 22 9.834 -6.578 -31.588 1.00 60.30 O ATOM 168 CB VAL A 22 8.816 -3.645 -30.503 1.00 11.43 C ATOM 169 CG1 VAL A 22 7.780 -2.716 -29.888 1.00 50.31 C ATOM 170 CG2 VAL A 22 9.948 -3.916 -29.524 1.00 4.31 C ATOM 0 H VAL A 22 8.648 -5.964 -29.172 1.00 22.12 H new ATOM 0 HA VAL A 22 7.211 -4.744 -31.435 1.00 22.42 H new ATOM 0 HB VAL A 22 9.235 -3.153 -31.381 1.00 11.43 H new ATOM 0 HG11 VAL A 22 8.261 -1.788 -29.579 1.00 50.31 H new ATOM 0 HG12 VAL A 22 7.006 -2.496 -30.624 1.00 50.31 H new ATOM 0 HG13 VAL A 22 7.329 -3.198 -29.020 1.00 50.31 H new ATOM 0 HG21 VAL A 22 10.399 -2.972 -29.219 1.00 4.31 H new ATOM 0 HG22 VAL A 22 9.555 -4.430 -28.647 1.00 4.31 H new ATOM 0 HG23 VAL A 22 10.702 -4.541 -30.003 1.00 4.31 H new ATOM 180 N PRO A 23 9.027 -5.236 -33.208 1.00 24.51 N ATOM 181 CA PRO A 23 9.852 -5.810 -34.276 1.00 11.32 C ATOM 182 C PRO A 23 11.328 -5.461 -34.119 1.00 61.10 C ATOM 183 O PRO A 23 11.706 -4.600 -33.324 1.00 63.04 O ATOM 184 CB PRO A 23 9.283 -5.170 -35.545 1.00 23.00 C ATOM 185 CG PRO A 23 8.674 -3.891 -35.084 1.00 74.22 C ATOM 186 CD PRO A 23 8.156 -4.155 -33.697 1.00 74.55 C ATOM 0 HA PRO A 23 9.817 -6.899 -34.278 1.00 11.32 H new ATOM 0 HB2 PRO A 23 10.065 -4.993 -36.284 1.00 23.00 H new ATOM 0 HB3 PRO A 23 8.541 -5.815 -36.015 1.00 23.00 H new ATOM 0 HG2 PRO A 23 9.411 -3.088 -35.079 1.00 74.22 H new ATOM 0 HG3 PRO A 23 7.868 -3.581 -35.749 1.00 74.22 H new ATOM 0 HD2 PRO A 23 8.224 -3.268 -33.067 1.00 74.55 H new ATOM 0 HD3 PRO A 23 7.109 -4.457 -33.710 1.00 74.55 H new ATOM 194 N PRO A 24 12.184 -6.144 -34.894 1.00 32.01 N ATOM 195 CA PRO A 24 13.632 -5.923 -34.859 1.00 45.44 C ATOM 196 C PRO A 24 14.026 -4.571 -35.446 1.00 65.43 C ATOM 197 O PRO A 24 15.111 -4.056 -35.173 1.00 62.23 O ATOM 198 CB PRO A 24 14.186 -7.061 -35.720 1.00 31.21 C ATOM 199 CG PRO A 24 13.070 -7.418 -36.640 1.00 14.12 C ATOM 200 CD PRO A 24 11.803 -7.185 -35.864 1.00 11.43 C ATOM 0 HA PRO A 24 14.018 -5.915 -33.840 1.00 45.44 H new ATOM 0 HB2 PRO A 24 15.070 -6.744 -36.274 1.00 31.21 H new ATOM 0 HB3 PRO A 24 14.482 -7.913 -35.108 1.00 31.21 H new ATOM 0 HG2 PRO A 24 13.095 -6.804 -37.540 1.00 14.12 H new ATOM 0 HG3 PRO A 24 13.146 -8.457 -36.961 1.00 14.12 H new ATOM 0 HD2 PRO A 24 10.991 -6.854 -36.511 1.00 11.43 H new ATOM 0 HD3 PRO A 24 11.464 -8.093 -35.366 1.00 11.43 H new ATOM 208 N THR A 25 13.138 -4.001 -36.254 1.00 44.53 N ATOM 209 CA THR A 25 13.394 -2.709 -36.880 1.00 73.42 C ATOM 210 C THR A 25 13.063 -1.563 -35.931 1.00 64.30 C ATOM 211 O THR A 25 13.775 -0.560 -35.883 1.00 33.32 O ATOM 212 CB THR A 25 12.576 -2.541 -38.175 1.00 33.05 C ATOM 213 OG1 THR A 25 12.139 -3.820 -38.648 1.00 10.11 O ATOM 214 CG2 THR A 25 13.401 -1.851 -39.250 1.00 72.13 C ATOM 0 H THR A 25 12.235 -4.413 -36.491 1.00 44.53 H new ATOM 0 HA THR A 25 14.456 -2.680 -37.123 1.00 73.42 H new ATOM 0 HB THR A 25 11.708 -1.921 -37.952 1.00 33.05 H new ATOM 0 HG1 THR A 25 11.618 -3.704 -39.470 1.00 10.11 H new ATOM 0 HG21 THR A 25 12.803 -1.743 -40.155 1.00 72.13 H new ATOM 0 HG22 THR A 25 13.707 -0.866 -38.898 1.00 72.13 H new ATOM 0 HG23 THR A 25 14.286 -2.449 -39.469 1.00 72.13 H new ATOM 222 N ALA A 26 11.980 -1.719 -35.177 1.00 22.11 N ATOM 223 CA ALA A 26 11.558 -0.698 -34.227 1.00 14.23 C ATOM 224 C ALA A 26 12.643 -0.430 -33.190 1.00 1.31 C ATOM 225 O ALA A 26 12.881 -1.246 -32.299 1.00 43.00 O ATOM 226 CB ALA A 26 10.264 -1.116 -33.543 1.00 50.33 C ATOM 0 H ALA A 26 11.379 -2.543 -35.206 1.00 22.11 H new ATOM 0 HA ALA A 26 11.383 0.226 -34.779 1.00 14.23 H new ATOM 0 HB1 ALA A 26 9.960 -0.344 -32.836 1.00 50.33 H new ATOM 0 HB2 ALA A 26 9.483 -1.250 -34.292 1.00 50.33 H new ATOM 0 HB3 ALA A 26 10.420 -2.054 -33.011 1.00 50.33 H new ATOM 232 N THR A 27 13.300 0.720 -33.311 1.00 65.55 N ATOM 233 CA THR A 27 14.362 1.094 -32.386 1.00 42.32 C ATOM 234 C THR A 27 13.795 1.764 -31.140 1.00 54.21 C ATOM 235 O THR A 27 12.590 2.004 -31.046 1.00 1.32 O ATOM 236 CB THR A 27 15.376 2.045 -33.050 1.00 10.42 C ATOM 237 OG1 THR A 27 14.687 3.113 -33.709 1.00 53.42 O ATOM 238 CG2 THR A 27 16.242 1.299 -34.053 1.00 23.43 C ATOM 0 H THR A 27 13.115 1.408 -34.041 1.00 65.55 H new ATOM 0 HA THR A 27 14.871 0.174 -32.100 1.00 42.32 H new ATOM 0 HB THR A 27 16.020 2.454 -32.272 1.00 10.42 H new ATOM 0 HG1 THR A 27 15.339 3.714 -34.127 1.00 53.42 H new ATOM 0 HG21 THR A 27 16.950 1.991 -34.509 1.00 23.43 H new ATOM 0 HG22 THR A 27 16.788 0.505 -33.543 1.00 23.43 H new ATOM 0 HG23 THR A 27 15.610 0.865 -34.827 1.00 23.43 H new ATOM 246 N LEU A 28 14.668 2.065 -30.186 1.00 23.33 N ATOM 247 CA LEU A 28 14.254 2.709 -28.944 1.00 72.40 C ATOM 248 C LEU A 28 13.844 4.157 -29.192 1.00 71.21 C ATOM 249 O LEU A 28 12.848 4.631 -28.648 1.00 14.32 O ATOM 250 CB LEU A 28 15.386 2.656 -27.917 1.00 33.15 C ATOM 251 CG LEU A 28 15.114 3.352 -26.583 1.00 4.44 C ATOM 252 CD1 LEU A 28 15.541 2.467 -25.422 1.00 14.12 C ATOM 253 CD2 LEU A 28 15.832 4.693 -26.525 1.00 63.11 C ATOM 0 H LEU A 28 15.668 1.874 -30.248 1.00 23.33 H new ATOM 0 HA LEU A 28 13.392 2.169 -28.553 1.00 72.40 H new ATOM 0 HB2 LEU A 28 15.620 1.610 -27.717 1.00 33.15 H new ATOM 0 HB3 LEU A 28 16.275 3.102 -28.362 1.00 33.15 H new ATOM 0 HG LEU A 28 14.042 3.532 -26.501 1.00 4.44 H new ATOM 0 HD11 LEU A 28 15.340 2.979 -24.481 1.00 14.12 H new ATOM 0 HD12 LEU A 28 14.982 1.532 -25.453 1.00 14.12 H new ATOM 0 HD13 LEU A 28 16.607 2.255 -25.499 1.00 14.12 H new ATOM 0 HD21 LEU A 28 15.627 5.174 -25.569 1.00 63.11 H new ATOM 0 HD22 LEU A 28 16.906 4.536 -26.630 1.00 63.11 H new ATOM 0 HD23 LEU A 28 15.478 5.331 -27.335 1.00 63.11 H new ATOM 265 N GLU A 29 14.618 4.852 -30.019 1.00 4.30 N ATOM 266 CA GLU A 29 14.334 6.246 -30.340 1.00 1.12 C ATOM 267 C GLU A 29 12.969 6.383 -31.009 1.00 22.04 C ATOM 268 O GLU A 29 12.208 7.302 -30.706 1.00 24.43 O ATOM 269 CB GLU A 29 15.421 6.814 -31.254 1.00 45.12 C ATOM 270 CG GLU A 29 15.356 8.324 -31.413 1.00 75.34 C ATOM 271 CD GLU A 29 16.728 8.961 -31.504 1.00 3.45 C ATOM 272 OE1 GLU A 29 17.660 8.294 -32.000 1.00 2.21 O ATOM 273 OE2 GLU A 29 16.871 10.127 -31.078 1.00 21.52 O ATOM 0 H GLU A 29 15.446 4.473 -30.479 1.00 4.30 H new ATOM 0 HA GLU A 29 14.321 6.811 -29.408 1.00 1.12 H new ATOM 0 HB2 GLU A 29 16.398 6.541 -30.855 1.00 45.12 H new ATOM 0 HB3 GLU A 29 15.337 6.350 -32.237 1.00 45.12 H new ATOM 0 HG2 GLU A 29 14.787 8.567 -32.310 1.00 75.34 H new ATOM 0 HG3 GLU A 29 14.817 8.752 -30.568 1.00 75.34 H new ATOM 280 N GLN A 30 12.668 5.463 -31.919 1.00 61.12 N ATOM 281 CA GLN A 30 11.396 5.482 -32.632 1.00 21.33 C ATOM 282 C GLN A 30 10.238 5.180 -31.686 1.00 61.13 C ATOM 283 O GLN A 30 9.201 5.844 -31.725 1.00 44.15 O ATOM 284 CB GLN A 30 11.413 4.467 -33.776 1.00 65.22 C ATOM 285 CG GLN A 30 10.524 4.855 -34.947 1.00 25.43 C ATOM 286 CD GLN A 30 11.216 5.787 -35.921 1.00 45.31 C ATOM 287 OE1 GLN A 30 11.171 7.008 -35.769 1.00 12.34 O ATOM 288 NE2 GLN A 30 11.863 5.216 -36.930 1.00 60.25 N ATOM 0 H GLN A 30 13.287 4.695 -32.180 1.00 61.12 H new ATOM 0 HA GLN A 30 11.254 6.481 -33.044 1.00 21.33 H new ATOM 0 HB2 GLN A 30 12.437 4.349 -34.131 1.00 65.22 H new ATOM 0 HB3 GLN A 30 11.095 3.497 -33.395 1.00 65.22 H new ATOM 0 HG2 GLN A 30 10.209 3.954 -35.473 1.00 25.43 H new ATOM 0 HG3 GLN A 30 9.621 5.335 -34.569 1.00 25.43 H new ATOM 0 HE21 GLN A 30 11.875 4.200 -37.018 1.00 60.25 H new ATOM 0 HE22 GLN A 30 12.348 5.793 -37.617 1.00 60.25 H new ATOM 297 N LEU A 31 10.420 4.174 -30.838 1.00 4.33 N ATOM 298 CA LEU A 31 9.390 3.784 -29.881 1.00 63.35 C ATOM 299 C LEU A 31 9.021 4.951 -28.972 1.00 23.15 C ATOM 300 O LEU A 31 7.846 5.285 -28.817 1.00 20.12 O ATOM 301 CB LEU A 31 9.870 2.599 -29.041 1.00 74.21 C ATOM 302 CG LEU A 31 9.276 1.236 -29.402 1.00 4.42 C ATOM 303 CD1 LEU A 31 10.108 0.115 -28.798 1.00 12.42 C ATOM 304 CD2 LEU A 31 7.831 1.143 -28.934 1.00 5.13 C ATOM 0 H LEU A 31 11.271 3.613 -30.793 1.00 4.33 H new ATOM 0 HA LEU A 31 8.502 3.489 -30.440 1.00 63.35 H new ATOM 0 HB2 LEU A 31 10.955 2.534 -29.126 1.00 74.21 H new ATOM 0 HB3 LEU A 31 9.644 2.806 -27.995 1.00 74.21 H new ATOM 0 HG LEU A 31 9.293 1.129 -30.487 1.00 4.42 H new ATOM 0 HD11 LEU A 31 9.671 -0.847 -29.065 1.00 12.42 H new ATOM 0 HD12 LEU A 31 11.126 0.170 -29.183 1.00 12.42 H new ATOM 0 HD13 LEU A 31 10.124 0.218 -27.713 1.00 12.42 H new ATOM 0 HD21 LEU A 31 7.425 0.167 -29.199 1.00 5.13 H new ATOM 0 HD22 LEU A 31 7.790 1.271 -27.852 1.00 5.13 H new ATOM 0 HD23 LEU A 31 7.242 1.924 -29.415 1.00 5.13 H new ATOM 316 N THR A 32 10.033 5.570 -28.372 1.00 44.40 N ATOM 317 CA THR A 32 9.816 6.701 -27.478 1.00 42.05 C ATOM 318 C THR A 32 9.183 7.873 -28.219 1.00 51.31 C ATOM 319 O THR A 32 8.268 8.519 -27.709 1.00 43.53 O ATOM 320 CB THR A 32 11.134 7.168 -26.833 1.00 3.12 C ATOM 321 OG1 THR A 32 11.897 6.035 -26.403 1.00 4.54 O ATOM 322 CG2 THR A 32 10.862 8.082 -25.648 1.00 2.43 C ATOM 0 H THR A 32 11.012 5.307 -28.489 1.00 44.40 H new ATOM 0 HA THR A 32 9.138 6.360 -26.695 1.00 42.05 H new ATOM 0 HB THR A 32 11.701 7.725 -27.579 1.00 3.12 H new ATOM 0 HG1 THR A 32 12.357 5.639 -27.173 1.00 4.54 H new ATOM 0 HG21 THR A 32 11.808 8.399 -25.209 1.00 2.43 H new ATOM 0 HG22 THR A 32 10.306 8.957 -25.984 1.00 2.43 H new ATOM 0 HG23 THR A 32 10.277 7.545 -24.901 1.00 2.43 H new ATOM 330 N GLU A 33 9.675 8.141 -29.424 1.00 43.54 N ATOM 331 CA GLU A 33 9.156 9.237 -30.234 1.00 42.25 C ATOM 332 C GLU A 33 7.649 9.102 -30.430 1.00 13.50 C ATOM 333 O GLU A 33 6.897 10.054 -30.219 1.00 54.11 O ATOM 334 CB GLU A 33 9.857 9.272 -31.594 1.00 73.04 C ATOM 335 CG GLU A 33 9.344 10.367 -32.515 1.00 64.42 C ATOM 336 CD GLU A 33 10.461 11.078 -33.254 1.00 4.25 C ATOM 337 OE1 GLU A 33 11.384 10.390 -33.738 1.00 71.23 O ATOM 338 OE2 GLU A 33 10.414 12.322 -33.346 1.00 54.44 O ATOM 0 H GLU A 33 10.432 7.615 -29.861 1.00 43.54 H new ATOM 0 HA GLU A 33 9.354 10.170 -29.707 1.00 42.25 H new ATOM 0 HB2 GLU A 33 10.927 9.411 -31.438 1.00 73.04 H new ATOM 0 HB3 GLU A 33 9.729 8.307 -32.084 1.00 73.04 H new ATOM 0 HG2 GLU A 33 8.653 9.934 -33.238 1.00 64.42 H new ATOM 0 HG3 GLU A 33 8.780 11.094 -31.930 1.00 64.42 H new ATOM 345 N PHE A 34 7.215 7.914 -30.835 1.00 75.41 N ATOM 346 CA PHE A 34 5.798 7.654 -31.061 1.00 74.40 C ATOM 347 C PHE A 34 5.012 7.751 -29.757 1.00 30.05 C ATOM 348 O PHE A 34 3.922 8.322 -29.716 1.00 41.32 O ATOM 349 CB PHE A 34 5.604 6.269 -31.684 1.00 3.33 C ATOM 350 CG PHE A 34 5.405 6.304 -33.172 1.00 43.11 C ATOM 351 CD1 PHE A 34 6.431 6.706 -34.012 1.00 61.13 C ATOM 352 CD2 PHE A 34 4.192 5.935 -33.731 1.00 1.42 C ATOM 353 CE1 PHE A 34 6.251 6.739 -35.382 1.00 64.44 C ATOM 354 CE2 PHE A 34 4.007 5.966 -35.100 1.00 72.31 C ATOM 355 CZ PHE A 34 5.037 6.369 -35.927 1.00 22.02 C ATOM 0 H PHE A 34 7.824 7.115 -31.014 1.00 75.41 H new ATOM 0 HA PHE A 34 5.421 8.411 -31.749 1.00 74.40 H new ATOM 0 HB2 PHE A 34 6.473 5.652 -31.456 1.00 3.33 H new ATOM 0 HB3 PHE A 34 4.742 5.789 -31.221 1.00 3.33 H new ATOM 0 HD1 PHE A 34 7.382 6.997 -33.591 1.00 61.13 H new ATOM 0 HD2 PHE A 34 3.382 5.620 -33.090 1.00 1.42 H new ATOM 0 HE1 PHE A 34 7.059 7.054 -36.026 1.00 64.44 H new ATOM 0 HE2 PHE A 34 3.057 5.675 -35.523 1.00 72.31 H new ATOM 0 HZ PHE A 34 4.894 6.395 -36.997 1.00 22.02 H new ATOM 365 N PHE A 35 5.573 7.188 -28.691 1.00 43.44 N ATOM 366 CA PHE A 35 4.926 7.210 -27.385 1.00 73.20 C ATOM 367 C PHE A 35 4.578 8.637 -26.974 1.00 2.55 C ATOM 368 O PHE A 35 3.419 8.953 -26.705 1.00 21.35 O ATOM 369 CB PHE A 35 5.833 6.570 -26.332 1.00 11.00 C ATOM 370 CG PHE A 35 5.431 5.170 -25.965 1.00 61.15 C ATOM 371 CD1 PHE A 35 4.249 4.930 -25.283 1.00 4.41 C ATOM 372 CD2 PHE A 35 6.236 4.093 -26.303 1.00 55.41 C ATOM 373 CE1 PHE A 35 3.876 3.643 -24.944 1.00 45.24 C ATOM 374 CE2 PHE A 35 5.868 2.804 -25.968 1.00 14.24 C ATOM 375 CZ PHE A 35 4.687 2.579 -25.286 1.00 64.24 C ATOM 0 H PHE A 35 6.474 6.711 -28.707 1.00 43.44 H new ATOM 0 HA PHE A 35 4.002 6.636 -27.456 1.00 73.20 H new ATOM 0 HB2 PHE A 35 6.857 6.559 -26.704 1.00 11.00 H new ATOM 0 HB3 PHE A 35 5.827 7.188 -25.434 1.00 11.00 H new ATOM 0 HD1 PHE A 35 3.611 5.759 -25.013 1.00 4.41 H new ATOM 0 HD2 PHE A 35 7.161 4.263 -26.834 1.00 55.41 H new ATOM 0 HE1 PHE A 35 2.952 3.470 -24.413 1.00 45.24 H new ATOM 0 HE2 PHE A 35 6.503 1.973 -26.239 1.00 14.24 H new ATOM 0 HZ PHE A 35 4.399 1.572 -25.021 1.00 64.24 H new ATOM 385 N SER A 36 5.591 9.497 -26.926 1.00 64.45 N ATOM 386 CA SER A 36 5.395 10.890 -26.544 1.00 30.13 C ATOM 387 C SER A 36 4.355 11.558 -27.438 1.00 72.40 C ATOM 388 O SER A 36 3.586 12.408 -26.989 1.00 20.12 O ATOM 389 CB SER A 36 6.718 11.654 -26.623 1.00 21.02 C ATOM 390 OG SER A 36 7.068 12.200 -25.363 1.00 30.23 O ATOM 0 H SER A 36 6.556 9.253 -27.147 1.00 64.45 H new ATOM 0 HA SER A 36 5.032 10.911 -25.516 1.00 30.13 H new ATOM 0 HB2 SER A 36 7.508 10.985 -26.965 1.00 21.02 H new ATOM 0 HB3 SER A 36 6.636 12.454 -27.359 1.00 21.02 H new ATOM 0 HG SER A 36 7.918 12.682 -25.440 1.00 30.23 H new ATOM 396 N LYS A 37 4.337 11.166 -28.708 1.00 13.14 N ATOM 397 CA LYS A 37 3.391 11.724 -29.667 1.00 63.14 C ATOM 398 C LYS A 37 1.955 11.409 -29.262 1.00 71.54 C ATOM 399 O LYS A 37 1.052 12.223 -29.456 1.00 12.14 O ATOM 400 CB LYS A 37 3.670 11.174 -31.068 1.00 22.52 C ATOM 401 CG LYS A 37 3.253 12.114 -32.185 1.00 43.12 C ATOM 402 CD LYS A 37 2.913 11.354 -33.456 1.00 40.01 C ATOM 403 CE LYS A 37 3.937 11.612 -34.551 1.00 12.20 C ATOM 404 NZ LYS A 37 3.848 13.003 -35.076 1.00 63.24 N ATOM 0 H LYS A 37 4.967 10.464 -29.097 1.00 13.14 H new ATOM 0 HA LYS A 37 3.517 12.807 -29.676 1.00 63.14 H new ATOM 0 HB2 LYS A 37 4.735 10.963 -31.161 1.00 22.52 H new ATOM 0 HB3 LYS A 37 3.146 10.226 -31.188 1.00 22.52 H new ATOM 0 HG2 LYS A 37 2.389 12.698 -31.867 1.00 43.12 H new ATOM 0 HG3 LYS A 37 4.058 12.820 -32.387 1.00 43.12 H new ATOM 0 HD2 LYS A 37 2.869 10.286 -33.242 1.00 40.01 H new ATOM 0 HD3 LYS A 37 1.924 11.650 -33.805 1.00 40.01 H new ATOM 0 HE2 LYS A 37 4.939 11.434 -34.160 1.00 12.20 H new ATOM 0 HE3 LYS A 37 3.783 10.905 -35.366 1.00 12.20 H new ATOM 0 HZ1 LYS A 37 4.425 13.086 -35.937 1.00 63.24 H new ATOM 0 HZ2 LYS A 37 2.857 13.227 -35.299 1.00 63.24 H new ATOM 0 HZ3 LYS A 37 4.200 13.668 -34.358 1.00 63.24 H new ATOM 418 N HIS A 38 1.751 10.222 -28.699 1.00 13.24 N ATOM 419 CA HIS A 38 0.424 9.800 -28.264 1.00 54.53 C ATOM 420 C HIS A 38 0.513 8.922 -27.020 1.00 71.33 C ATOM 421 O HIS A 38 1.027 7.805 -27.072 1.00 54.14 O ATOM 422 CB HIS A 38 -0.287 9.044 -29.387 1.00 53.41 C ATOM 423 CG HIS A 38 -1.779 9.043 -29.257 1.00 33.31 C ATOM 424 ND1 HIS A 38 -2.524 10.195 -29.114 1.00 24.44 N ATOM 425 CD2 HIS A 38 -2.666 8.020 -29.251 1.00 13.23 C ATOM 426 CE1 HIS A 38 -3.804 9.881 -29.023 1.00 64.31 C ATOM 427 NE2 HIS A 38 -3.917 8.567 -29.104 1.00 53.20 N ATOM 0 H HIS A 38 2.487 9.536 -28.533 1.00 13.24 H new ATOM 0 HA HIS A 38 -0.151 10.692 -28.016 1.00 54.53 H new ATOM 0 HB2 HIS A 38 -0.014 9.490 -30.343 1.00 53.41 H new ATOM 0 HB3 HIS A 38 0.069 8.014 -29.402 1.00 53.41 H new ATOM 0 HD2 HIS A 38 -2.433 6.970 -29.344 1.00 13.23 H new ATOM 0 HE1 HIS A 38 -4.619 10.579 -28.903 1.00 64.31 H new ATOM 0 HE2 HIS A 38 -4.792 8.044 -29.064 1.00 53.20 H new ATOM 435 N GLY A 39 0.009 9.435 -25.902 1.00 24.34 N ATOM 436 CA GLY A 39 0.043 8.684 -24.660 1.00 61.43 C ATOM 437 C GLY A 39 1.238 9.041 -23.799 1.00 10.13 C ATOM 438 O GLY A 39 2.338 9.260 -24.308 1.00 14.30 O ATOM 0 H GLY A 39 -0.422 10.357 -25.834 1.00 24.34 H new ATOM 0 HA2 GLY A 39 -0.873 8.872 -24.100 1.00 61.43 H new ATOM 0 HA3 GLY A 39 0.066 7.618 -24.884 1.00 61.43 H new ATOM 442 N THR A 40 1.024 9.102 -22.488 1.00 54.20 N ATOM 443 CA THR A 40 2.091 9.438 -21.554 1.00 15.51 C ATOM 444 C THR A 40 2.431 8.253 -20.658 1.00 15.23 C ATOM 445 O THR A 40 1.599 7.797 -19.872 1.00 43.24 O ATOM 446 CB THR A 40 1.706 10.641 -20.671 1.00 42.15 C ATOM 447 OG1 THR A 40 0.853 11.531 -21.400 1.00 70.43 O ATOM 448 CG2 THR A 40 2.947 11.388 -20.205 1.00 55.42 C ATOM 0 H THR A 40 0.121 8.923 -22.049 1.00 54.20 H new ATOM 0 HA THR A 40 2.964 9.700 -22.152 1.00 15.51 H new ATOM 0 HB THR A 40 1.176 10.267 -19.795 1.00 42.15 H new ATOM 0 HG1 THR A 40 0.612 12.292 -20.831 1.00 70.43 H new ATOM 0 HG21 THR A 40 2.651 12.233 -19.583 1.00 55.42 H new ATOM 0 HG22 THR A 40 3.580 10.716 -19.626 1.00 55.42 H new ATOM 0 HG23 THR A 40 3.500 11.751 -21.071 1.00 55.42 H new ATOM 456 N VAL A 41 3.658 7.758 -20.779 1.00 41.05 N ATOM 457 CA VAL A 41 4.109 6.626 -19.979 1.00 11.14 C ATOM 458 C VAL A 41 5.285 7.015 -19.091 1.00 5.14 C ATOM 459 O VAL A 41 6.143 7.802 -19.491 1.00 23.45 O ATOM 460 CB VAL A 41 4.522 5.438 -20.868 1.00 13.31 C ATOM 461 CG1 VAL A 41 3.295 4.771 -21.471 1.00 20.44 C ATOM 462 CG2 VAL A 41 5.479 5.897 -21.958 1.00 31.43 C ATOM 0 H VAL A 41 4.358 8.124 -21.424 1.00 41.05 H new ATOM 0 HA VAL A 41 3.268 6.326 -19.353 1.00 11.14 H new ATOM 0 HB VAL A 41 5.037 4.704 -20.248 1.00 13.31 H new ATOM 0 HG11 VAL A 41 3.606 3.934 -22.096 1.00 20.44 H new ATOM 0 HG12 VAL A 41 2.649 4.407 -20.672 1.00 20.44 H new ATOM 0 HG13 VAL A 41 2.749 5.494 -22.078 1.00 20.44 H new ATOM 0 HG21 VAL A 41 5.761 5.045 -22.577 1.00 31.43 H new ATOM 0 HG22 VAL A 41 4.991 6.650 -22.577 1.00 31.43 H new ATOM 0 HG23 VAL A 41 6.372 6.325 -21.502 1.00 31.43 H new ATOM 472 N GLN A 42 5.319 6.458 -17.884 1.00 52.23 N ATOM 473 CA GLN A 42 6.391 6.747 -16.939 1.00 51.53 C ATOM 474 C GLN A 42 7.697 6.097 -17.382 1.00 43.14 C ATOM 475 O GLN A 42 8.701 6.777 -17.590 1.00 44.54 O ATOM 476 CB GLN A 42 6.012 6.258 -15.540 1.00 63.35 C ATOM 477 CG GLN A 42 6.476 7.182 -14.426 1.00 54.11 C ATOM 478 CD GLN A 42 7.799 6.752 -13.824 1.00 14.35 C ATOM 479 OE1 GLN A 42 8.703 6.312 -14.533 1.00 63.12 O ATOM 480 NE2 GLN A 42 7.919 6.878 -12.507 1.00 55.31 N ATOM 0 H GLN A 42 4.617 5.804 -17.538 1.00 52.23 H new ATOM 0 HA GLN A 42 6.536 7.827 -16.911 1.00 51.53 H new ATOM 0 HB2 GLN A 42 4.929 6.149 -15.483 1.00 63.35 H new ATOM 0 HB3 GLN A 42 6.440 5.268 -15.382 1.00 63.35 H new ATOM 0 HG2 GLN A 42 6.571 8.196 -14.816 1.00 54.11 H new ATOM 0 HG3 GLN A 42 5.718 7.211 -13.644 1.00 54.11 H new ATOM 0 HE21 GLN A 42 7.143 7.248 -11.957 1.00 55.31 H new ATOM 0 HE22 GLN A 42 8.787 6.605 -12.046 1.00 55.31 H new ATOM 489 N ALA A 43 7.676 4.776 -17.524 1.00 64.23 N ATOM 490 CA ALA A 43 8.859 4.034 -17.944 1.00 73.12 C ATOM 491 C ALA A 43 8.473 2.709 -18.593 1.00 65.22 C ATOM 492 O ALA A 43 7.329 2.267 -18.493 1.00 70.52 O ATOM 493 CB ALA A 43 9.780 3.794 -16.758 1.00 5.34 C ATOM 0 H ALA A 43 6.853 4.197 -17.355 1.00 64.23 H new ATOM 0 HA ALA A 43 9.389 4.632 -18.686 1.00 73.12 H new ATOM 0 HB1 ALA A 43 10.659 3.239 -17.086 1.00 5.34 H new ATOM 0 HB2 ALA A 43 10.091 4.751 -16.339 1.00 5.34 H new ATOM 0 HB3 ALA A 43 9.251 3.219 -15.997 1.00 5.34 H new ATOM 499 N VAL A 44 9.436 2.079 -19.260 1.00 3.54 N ATOM 500 CA VAL A 44 9.198 0.804 -19.925 1.00 53.30 C ATOM 501 C VAL A 44 10.426 -0.096 -19.845 1.00 14.33 C ATOM 502 O VAL A 44 11.560 0.380 -19.892 1.00 61.32 O ATOM 503 CB VAL A 44 8.818 1.005 -21.404 1.00 41.51 C ATOM 504 CG1 VAL A 44 9.912 1.767 -22.137 1.00 54.24 C ATOM 505 CG2 VAL A 44 8.551 -0.335 -22.072 1.00 53.21 C ATOM 0 H VAL A 44 10.388 2.432 -19.354 1.00 3.54 H new ATOM 0 HA VAL A 44 8.367 0.327 -19.405 1.00 53.30 H new ATOM 0 HB VAL A 44 7.903 1.596 -21.449 1.00 41.51 H new ATOM 0 HG11 VAL A 44 9.626 1.900 -23.181 1.00 54.24 H new ATOM 0 HG12 VAL A 44 10.050 2.743 -21.672 1.00 54.24 H new ATOM 0 HG13 VAL A 44 10.844 1.205 -22.085 1.00 54.24 H new ATOM 0 HG21 VAL A 44 8.284 -0.174 -23.116 1.00 53.21 H new ATOM 0 HG22 VAL A 44 9.447 -0.954 -22.018 1.00 53.21 H new ATOM 0 HG23 VAL A 44 7.731 -0.839 -21.561 1.00 53.21 H new ATOM 515 N TRP A 45 10.191 -1.397 -19.723 1.00 61.14 N ATOM 516 CA TRP A 45 11.279 -2.365 -19.637 1.00 0.20 C ATOM 517 C TRP A 45 10.783 -3.771 -19.955 1.00 22.11 C ATOM 518 O TRP A 45 9.578 -4.012 -20.031 1.00 43.34 O ATOM 519 CB TRP A 45 11.906 -2.335 -18.242 1.00 40.12 C ATOM 520 CG TRP A 45 13.231 -1.636 -18.202 1.00 24.24 C ATOM 521 CD1 TRP A 45 14.399 -2.061 -18.768 1.00 3.32 C ATOM 522 CD2 TRP A 45 13.524 -0.391 -17.559 1.00 2.22 C ATOM 523 NE1 TRP A 45 15.401 -1.154 -18.516 1.00 33.22 N ATOM 524 CE2 TRP A 45 14.889 -0.120 -17.777 1.00 24.43 C ATOM 525 CE3 TRP A 45 12.766 0.523 -16.822 1.00 51.24 C ATOM 526 CZ2 TRP A 45 15.509 1.024 -17.283 1.00 42.40 C ATOM 527 CZ3 TRP A 45 13.383 1.659 -16.333 1.00 33.22 C ATOM 528 CH2 TRP A 45 14.743 1.902 -16.565 1.00 71.03 C ATOM 0 H TRP A 45 9.258 -1.806 -19.681 1.00 61.14 H new ATOM 0 HA TRP A 45 12.035 -2.092 -20.373 1.00 0.20 H new ATOM 0 HB2 TRP A 45 11.221 -1.840 -17.554 1.00 40.12 H new ATOM 0 HB3 TRP A 45 12.032 -3.357 -17.886 1.00 40.12 H new ATOM 0 HD1 TRP A 45 14.518 -2.975 -19.331 1.00 3.32 H new ATOM 0 HE1 TRP A 45 16.368 -1.237 -18.828 1.00 33.22 H new ATOM 0 HE3 TRP A 45 11.717 0.345 -16.638 1.00 51.24 H new ATOM 0 HZ2 TRP A 45 16.558 1.212 -17.460 1.00 42.40 H new ATOM 0 HZ3 TRP A 45 12.807 2.372 -15.762 1.00 33.22 H new ATOM 0 HH2 TRP A 45 15.196 2.799 -16.170 1.00 71.03 H new ATOM 539 N ARG A 46 11.719 -4.696 -20.139 1.00 22.51 N ATOM 540 CA ARG A 46 11.376 -6.079 -20.450 1.00 1.04 C ATOM 541 C ARG A 46 12.544 -7.011 -20.141 1.00 31.41 C ATOM 542 O ARG A 46 13.707 -6.636 -20.290 1.00 31.14 O ATOM 543 CB ARG A 46 10.980 -6.210 -21.921 1.00 61.24 C ATOM 544 CG ARG A 46 12.075 -5.787 -22.887 1.00 1.12 C ATOM 545 CD ARG A 46 12.000 -4.300 -23.197 1.00 3.03 C ATOM 546 NE ARG A 46 11.627 -4.049 -24.586 1.00 43.41 N ATOM 547 CZ ARG A 46 11.658 -2.846 -25.149 1.00 43.13 C ATOM 548 NH1 ARG A 46 12.044 -1.790 -24.446 1.00 34.45 N ATOM 549 NH2 ARG A 46 11.304 -2.697 -26.419 1.00 71.44 N ATOM 0 H ARG A 46 12.721 -4.513 -20.078 1.00 22.51 H new ATOM 0 HA ARG A 46 10.529 -6.366 -19.826 1.00 1.04 H new ATOM 0 HB2 ARG A 46 10.708 -7.246 -22.124 1.00 61.24 H new ATOM 0 HB3 ARG A 46 10.092 -5.605 -22.105 1.00 61.24 H new ATOM 0 HG2 ARG A 46 13.050 -6.022 -22.459 1.00 1.12 H new ATOM 0 HG3 ARG A 46 11.987 -6.358 -23.812 1.00 1.12 H new ATOM 0 HD2 ARG A 46 11.273 -3.828 -22.536 1.00 3.03 H new ATOM 0 HD3 ARG A 46 12.966 -3.838 -22.992 1.00 3.03 H new ATOM 0 HE ARG A 46 11.326 -4.840 -25.155 1.00 43.41 H new ATOM 0 HH11 ARG A 46 12.318 -1.900 -23.470 1.00 34.45 H new ATOM 0 HH12 ARG A 46 12.067 -0.868 -24.882 1.00 34.45 H new ATOM 0 HH21 ARG A 46 11.008 -3.507 -26.964 1.00 71.44 H new ATOM 0 HH22 ARG A 46 11.328 -1.773 -26.850 1.00 71.44 H new ATOM 563 N ARG A 47 12.225 -8.228 -19.710 1.00 43.40 N ATOM 564 CA ARG A 47 13.248 -9.213 -19.379 1.00 15.13 C ATOM 565 C ARG A 47 12.739 -10.629 -19.629 1.00 72.53 C ATOM 566 O ARG A 47 11.532 -10.863 -19.698 1.00 71.44 O ATOM 567 CB ARG A 47 13.675 -9.064 -17.917 1.00 71.14 C ATOM 568 CG ARG A 47 12.598 -9.467 -16.924 1.00 32.13 C ATOM 569 CD ARG A 47 12.267 -8.331 -15.969 1.00 3.42 C ATOM 570 NE ARG A 47 11.306 -8.736 -14.947 1.00 74.23 N ATOM 571 CZ ARG A 47 11.628 -9.457 -13.879 1.00 41.11 C ATOM 572 NH1 ARG A 47 12.881 -9.849 -13.694 1.00 30.15 N ATOM 573 NH2 ARG A 47 10.696 -9.786 -12.994 1.00 25.54 N ATOM 0 H ARG A 47 11.267 -8.555 -19.582 1.00 43.40 H new ATOM 0 HA ARG A 47 14.110 -9.036 -20.022 1.00 15.13 H new ATOM 0 HB2 ARG A 47 14.563 -9.671 -17.743 1.00 71.14 H new ATOM 0 HB3 ARG A 47 13.957 -8.027 -17.734 1.00 71.14 H new ATOM 0 HG2 ARG A 47 11.698 -9.765 -17.462 1.00 32.13 H new ATOM 0 HG3 ARG A 47 12.932 -10.335 -16.356 1.00 32.13 H new ATOM 0 HD2 ARG A 47 13.182 -7.983 -15.489 1.00 3.42 H new ATOM 0 HD3 ARG A 47 11.863 -7.490 -16.533 1.00 3.42 H new ATOM 0 HE ARG A 47 10.334 -8.449 -15.059 1.00 74.23 H new ATOM 0 HH11 ARG A 47 13.600 -9.597 -14.372 1.00 30.15 H new ATOM 0 HH12 ARG A 47 13.126 -10.403 -12.873 1.00 30.15 H new ATOM 0 HH21 ARG A 47 9.731 -9.485 -13.134 1.00 25.54 H new ATOM 0 HH22 ARG A 47 10.944 -10.340 -12.174 1.00 25.54 H new ATOM 587 N TYR A 48 13.667 -11.570 -19.765 1.00 33.21 N ATOM 588 CA TYR A 48 13.313 -12.963 -20.011 1.00 33.11 C ATOM 589 C TYR A 48 14.235 -13.904 -19.241 1.00 14.32 C ATOM 590 O TYR A 48 15.458 -13.804 -19.331 1.00 5.33 O ATOM 591 CB TYR A 48 13.384 -13.273 -21.507 1.00 40.21 C ATOM 592 CG TYR A 48 14.641 -12.759 -22.172 1.00 70.54 C ATOM 593 CD1 TYR A 48 15.766 -13.566 -22.292 1.00 70.33 C ATOM 594 CD2 TYR A 48 14.704 -11.468 -22.680 1.00 42.21 C ATOM 595 CE1 TYR A 48 16.917 -13.101 -22.899 1.00 31.52 C ATOM 596 CE2 TYR A 48 15.850 -10.995 -23.289 1.00 63.14 C ATOM 597 CZ TYR A 48 16.954 -11.815 -23.396 1.00 60.52 C ATOM 598 OH TYR A 48 18.098 -11.348 -24.001 1.00 41.12 O ATOM 0 H TYR A 48 14.670 -11.393 -19.709 1.00 33.21 H new ATOM 0 HA TYR A 48 12.292 -13.118 -19.663 1.00 33.11 H new ATOM 0 HB2 TYR A 48 13.323 -14.352 -21.649 1.00 40.21 H new ATOM 0 HB3 TYR A 48 12.516 -12.836 -22.002 1.00 40.21 H new ATOM 0 HD1 TYR A 48 15.740 -14.574 -21.904 1.00 70.33 H new ATOM 0 HD2 TYR A 48 13.842 -10.823 -22.597 1.00 42.21 H new ATOM 0 HE1 TYR A 48 17.783 -13.741 -22.984 1.00 31.52 H new ATOM 0 HE2 TYR A 48 15.881 -9.988 -23.679 1.00 63.14 H new ATOM 0 HH TYR A 48 17.958 -10.424 -24.297 1.00 41.12 H new ATOM 608 N PHE A 49 13.638 -14.818 -18.484 1.00 35.22 N ATOM 609 CA PHE A 49 14.403 -15.778 -17.697 1.00 4.21 C ATOM 610 C PHE A 49 14.750 -17.009 -18.528 1.00 64.34 C ATOM 611 O PHE A 49 13.866 -17.706 -19.024 1.00 55.03 O ATOM 612 CB PHE A 49 13.615 -16.194 -16.453 1.00 45.21 C ATOM 613 CG PHE A 49 14.158 -15.614 -15.178 1.00 63.41 C ATOM 614 CD1 PHE A 49 14.276 -14.243 -15.020 1.00 24.01 C ATOM 615 CD2 PHE A 49 14.551 -16.441 -14.138 1.00 30.31 C ATOM 616 CE1 PHE A 49 14.775 -13.706 -13.848 1.00 22.53 C ATOM 617 CE2 PHE A 49 15.050 -15.911 -12.963 1.00 50.44 C ATOM 618 CZ PHE A 49 15.163 -14.542 -12.819 1.00 4.44 C ATOM 0 H PHE A 49 12.626 -14.914 -18.399 1.00 35.22 H new ATOM 0 HA PHE A 49 15.331 -15.297 -17.387 1.00 4.21 H new ATOM 0 HB2 PHE A 49 12.576 -15.885 -16.570 1.00 45.21 H new ATOM 0 HB3 PHE A 49 13.617 -17.281 -16.378 1.00 45.21 H new ATOM 0 HD1 PHE A 49 13.975 -13.586 -15.822 1.00 24.01 H new ATOM 0 HD2 PHE A 49 14.466 -17.512 -14.247 1.00 30.31 H new ATOM 0 HE1 PHE A 49 14.861 -12.635 -13.737 1.00 22.53 H new ATOM 0 HE2 PHE A 49 15.351 -16.566 -12.159 1.00 50.44 H new ATOM 0 HZ PHE A 49 15.554 -14.125 -11.903 1.00 4.44 H new ATOM 628 N ALA A 50 16.045 -17.270 -18.677 1.00 21.25 N ATOM 629 CA ALA A 50 16.510 -18.417 -19.446 1.00 60.52 C ATOM 630 C ALA A 50 16.353 -19.710 -18.653 1.00 70.52 C ATOM 631 O ALA A 50 16.092 -20.770 -19.221 1.00 31.33 O ATOM 632 CB ALA A 50 17.961 -18.223 -19.860 1.00 2.43 C ATOM 0 H ALA A 50 16.791 -16.702 -18.275 1.00 21.25 H new ATOM 0 HA ALA A 50 15.895 -18.494 -20.343 1.00 60.52 H new ATOM 0 HB1 ALA A 50 18.294 -19.088 -20.434 1.00 2.43 H new ATOM 0 HB2 ALA A 50 18.048 -17.326 -20.473 1.00 2.43 H new ATOM 0 HB3 ALA A 50 18.582 -18.116 -18.971 1.00 2.43 H new ATOM 638 N GLY A 51 16.515 -19.616 -17.337 1.00 13.42 N ATOM 639 CA GLY A 51 16.388 -20.786 -16.488 1.00 10.44 C ATOM 640 C GLY A 51 17.671 -21.590 -16.413 1.00 53.23 C ATOM 641 O GLY A 51 18.086 -22.203 -17.397 1.00 4.31 O ATOM 0 H GLY A 51 16.732 -18.750 -16.843 1.00 13.42 H new ATOM 0 HA2 GLY A 51 16.100 -20.473 -15.484 1.00 10.44 H new ATOM 0 HA3 GLY A 51 15.587 -21.421 -16.867 1.00 10.44 H new ATOM 645 N LYS A 52 18.302 -21.587 -15.244 1.00 72.31 N ATOM 646 CA LYS A 52 19.546 -22.321 -15.044 1.00 34.42 C ATOM 647 C LYS A 52 19.578 -22.971 -13.664 1.00 1.51 C ATOM 648 O LYS A 52 20.484 -22.718 -12.869 1.00 34.33 O ATOM 649 CB LYS A 52 20.746 -21.386 -15.208 1.00 31.24 C ATOM 650 CG LYS A 52 22.050 -22.113 -15.488 1.00 34.30 C ATOM 651 CD LYS A 52 22.194 -22.450 -16.963 1.00 4.14 C ATOM 652 CE LYS A 52 22.167 -23.953 -17.197 1.00 11.43 C ATOM 653 NZ LYS A 52 22.764 -24.320 -18.510 1.00 61.33 N ATOM 0 H LYS A 52 17.972 -21.084 -14.420 1.00 72.31 H new ATOM 0 HA LYS A 52 19.601 -23.107 -15.797 1.00 34.42 H new ATOM 0 HB2 LYS A 52 20.545 -20.691 -16.023 1.00 31.24 H new ATOM 0 HB3 LYS A 52 20.859 -20.791 -14.302 1.00 31.24 H new ATOM 0 HG2 LYS A 52 22.889 -21.493 -15.172 1.00 34.30 H new ATOM 0 HG3 LYS A 52 22.091 -23.029 -14.899 1.00 34.30 H new ATOM 0 HD2 LYS A 52 21.388 -21.979 -17.525 1.00 4.14 H new ATOM 0 HD3 LYS A 52 23.130 -22.039 -17.342 1.00 4.14 H new ATOM 0 HE2 LYS A 52 22.712 -24.455 -16.397 1.00 11.43 H new ATOM 0 HE3 LYS A 52 21.138 -24.309 -17.154 1.00 11.43 H new ATOM 0 HZ1 LYS A 52 22.727 -25.352 -18.632 1.00 61.33 H new ATOM 0 HZ2 LYS A 52 22.229 -23.862 -19.275 1.00 61.33 H new ATOM 0 HZ3 LYS A 52 23.754 -24.003 -18.542 1.00 61.33 H new ATOM 667 N LYS A 53 18.585 -23.809 -13.386 1.00 4.11 N ATOM 668 CA LYS A 53 18.501 -24.497 -12.103 1.00 61.23 C ATOM 669 C LYS A 53 17.765 -25.825 -12.246 1.00 31.40 C ATOM 670 O LYS A 53 17.288 -26.168 -13.328 1.00 31.51 O ATOM 671 CB LYS A 53 17.790 -23.616 -11.074 1.00 51.30 C ATOM 672 CG LYS A 53 16.360 -23.272 -11.452 1.00 53.14 C ATOM 673 CD LYS A 53 16.183 -21.778 -11.666 1.00 1.25 C ATOM 674 CE LYS A 53 15.052 -21.484 -12.639 1.00 45.55 C ATOM 675 NZ LYS A 53 14.273 -20.281 -12.237 1.00 15.42 N ATOM 0 H LYS A 53 17.827 -24.028 -14.032 1.00 4.11 H new ATOM 0 HA LYS A 53 19.516 -24.699 -11.760 1.00 61.23 H new ATOM 0 HB2 LYS A 53 17.790 -24.126 -10.110 1.00 51.30 H new ATOM 0 HB3 LYS A 53 18.355 -22.693 -10.946 1.00 51.30 H new ATOM 0 HG2 LYS A 53 16.085 -23.806 -12.362 1.00 53.14 H new ATOM 0 HG3 LYS A 53 15.684 -23.611 -10.667 1.00 53.14 H new ATOM 0 HD2 LYS A 53 15.977 -21.295 -10.711 1.00 1.25 H new ATOM 0 HD3 LYS A 53 17.111 -21.351 -12.046 1.00 1.25 H new ATOM 0 HE2 LYS A 53 15.462 -21.334 -13.638 1.00 45.55 H new ATOM 0 HE3 LYS A 53 14.387 -22.346 -12.694 1.00 45.55 H new ATOM 0 HZ1 LYS A 53 13.512 -20.114 -12.926 1.00 15.42 H new ATOM 0 HZ2 LYS A 53 13.860 -20.434 -11.295 1.00 15.42 H new ATOM 0 HZ3 LYS A 53 14.902 -19.453 -12.210 1.00 15.42 H new ATOM 689 N ASP A 54 17.675 -26.568 -11.148 1.00 0.41 N ATOM 690 CA ASP A 54 16.994 -27.857 -11.150 1.00 63.33 C ATOM 691 C ASP A 54 15.592 -27.732 -10.564 1.00 34.41 C ATOM 692 O ASP A 54 15.058 -28.686 -9.998 1.00 12.24 O ATOM 693 CB ASP A 54 17.802 -28.886 -10.358 1.00 2.04 C ATOM 694 CG ASP A 54 17.424 -30.312 -10.706 1.00 63.21 C ATOM 695 OD1 ASP A 54 16.522 -30.498 -11.550 1.00 21.03 O ATOM 696 OD2 ASP A 54 18.031 -31.243 -10.136 1.00 2.51 O ATOM 0 H ASP A 54 18.066 -26.299 -10.245 1.00 0.41 H new ATOM 0 HA ASP A 54 16.907 -28.193 -12.183 1.00 63.33 H new ATOM 0 HB2 ASP A 54 18.864 -28.737 -10.552 1.00 2.04 H new ATOM 0 HB3 ASP A 54 17.647 -28.722 -9.292 1.00 2.04 H new ATOM 701 N ALA A 55 15.001 -26.550 -10.703 1.00 33.12 N ATOM 702 CA ALA A 55 13.660 -26.301 -10.188 1.00 1.12 C ATOM 703 C ALA A 55 12.683 -26.007 -11.321 1.00 13.33 C ATOM 704 O ALA A 55 13.073 -25.648 -12.432 1.00 13.21 O ATOM 705 CB ALA A 55 13.682 -25.148 -9.195 1.00 21.54 C ATOM 0 H ALA A 55 15.430 -25.750 -11.168 1.00 33.12 H new ATOM 0 HA ALA A 55 13.321 -27.201 -9.675 1.00 1.12 H new ATOM 0 HB1 ALA A 55 12.674 -24.973 -8.818 1.00 21.54 H new ATOM 0 HB2 ALA A 55 14.342 -25.396 -8.364 1.00 21.54 H new ATOM 0 HB3 ALA A 55 14.046 -24.248 -9.691 1.00 21.54 H new ATOM 711 N PRO A 56 11.381 -26.162 -11.036 1.00 22.32 N ATOM 712 CA PRO A 56 10.321 -25.919 -12.019 1.00 2.54 C ATOM 713 C PRO A 56 10.171 -24.439 -12.355 1.00 3.34 C ATOM 714 O PRO A 56 10.720 -23.566 -11.681 1.00 53.14 O ATOM 715 CB PRO A 56 9.063 -26.438 -11.319 1.00 33.10 C ATOM 716 CG PRO A 56 9.368 -26.335 -9.864 1.00 71.05 C ATOM 717 CD PRO A 56 10.844 -26.588 -9.732 1.00 43.43 C ATOM 0 HA PRO A 56 10.528 -26.407 -12.971 1.00 2.54 H new ATOM 0 HB2 PRO A 56 8.189 -25.843 -11.583 1.00 33.10 H new ATOM 0 HB3 PRO A 56 8.846 -27.467 -11.606 1.00 33.10 H new ATOM 0 HG2 PRO A 56 9.105 -25.350 -9.479 1.00 71.05 H new ATOM 0 HG3 PRO A 56 8.794 -27.064 -9.292 1.00 71.05 H new ATOM 0 HD2 PRO A 56 11.278 -26.016 -8.912 1.00 43.43 H new ATOM 0 HD3 PRO A 56 11.056 -27.639 -9.534 1.00 43.43 H new ATOM 725 N PRO A 57 9.411 -24.147 -13.420 1.00 72.13 N ATOM 726 CA PRO A 57 9.171 -22.772 -13.869 1.00 35.40 C ATOM 727 C PRO A 57 8.286 -21.993 -12.902 1.00 31.23 C ATOM 728 O PRO A 57 7.067 -22.158 -12.892 1.00 54.24 O ATOM 729 CB PRO A 57 8.461 -22.957 -15.213 1.00 13.24 C ATOM 730 CG PRO A 57 7.815 -24.296 -15.119 1.00 71.02 C ATOM 731 CD PRO A 57 8.727 -25.137 -14.269 1.00 74.00 C ATOM 0 HA PRO A 57 10.095 -22.197 -13.935 1.00 35.40 H new ATOM 0 HB2 PRO A 57 7.723 -22.173 -15.382 1.00 13.24 H new ATOM 0 HB3 PRO A 57 9.167 -22.915 -16.043 1.00 13.24 H new ATOM 0 HG2 PRO A 57 6.824 -24.221 -14.671 1.00 71.02 H new ATOM 0 HG3 PRO A 57 7.686 -24.737 -16.107 1.00 71.02 H new ATOM 0 HD2 PRO A 57 8.169 -25.859 -13.674 1.00 74.00 H new ATOM 0 HD3 PRO A 57 9.434 -25.703 -14.876 1.00 74.00 H new ATOM 739 N GLU A 58 8.909 -21.145 -12.090 1.00 12.42 N ATOM 740 CA GLU A 58 8.176 -20.341 -11.119 1.00 3.44 C ATOM 741 C GLU A 58 7.854 -18.961 -11.686 1.00 64.25 C ATOM 742 O GLU A 58 6.745 -18.454 -11.522 1.00 0.11 O ATOM 743 CB GLU A 58 8.986 -20.197 -9.828 1.00 51.32 C ATOM 744 CG GLU A 58 8.319 -19.314 -8.787 1.00 1.04 C ATOM 745 CD GLU A 58 6.925 -19.789 -8.426 1.00 11.32 C ATOM 746 OE1 GLU A 58 5.948 -19.204 -8.939 1.00 43.34 O ATOM 747 OE2 GLU A 58 6.810 -20.744 -7.630 1.00 62.33 O ATOM 0 H GLU A 58 9.918 -20.997 -12.085 1.00 12.42 H new ATOM 0 HA GLU A 58 7.239 -20.851 -10.897 1.00 3.44 H new ATOM 0 HB2 GLU A 58 9.152 -21.186 -9.401 1.00 51.32 H new ATOM 0 HB3 GLU A 58 9.966 -19.785 -10.068 1.00 51.32 H new ATOM 0 HG2 GLU A 58 8.935 -19.290 -7.888 1.00 1.04 H new ATOM 0 HG3 GLU A 58 8.265 -18.293 -9.163 1.00 1.04 H new ATOM 754 N SER A 59 8.833 -18.360 -12.355 1.00 42.11 N ATOM 755 CA SER A 59 8.657 -17.038 -12.944 1.00 14.41 C ATOM 756 C SER A 59 8.105 -17.144 -14.363 1.00 3.25 C ATOM 757 O SER A 59 8.117 -18.217 -14.966 1.00 11.20 O ATOM 758 CB SER A 59 9.986 -16.280 -12.957 1.00 32.05 C ATOM 759 OG SER A 59 11.057 -17.122 -12.567 1.00 34.42 O ATOM 0 H SER A 59 9.756 -18.768 -12.503 1.00 42.11 H new ATOM 0 HA SER A 59 7.940 -16.489 -12.334 1.00 14.41 H new ATOM 0 HB2 SER A 59 10.174 -15.886 -13.956 1.00 32.05 H new ATOM 0 HB3 SER A 59 9.927 -15.425 -12.283 1.00 32.05 H new ATOM 0 HG SER A 59 11.895 -16.615 -12.585 1.00 34.42 H new ATOM 765 N ARG A 60 7.623 -16.023 -14.889 1.00 11.35 N ATOM 766 CA ARG A 60 7.066 -15.989 -16.235 1.00 52.34 C ATOM 767 C ARG A 60 8.029 -15.312 -17.205 1.00 45.55 C ATOM 768 O ARG A 60 8.376 -14.141 -17.039 1.00 73.43 O ATOM 769 CB ARG A 60 5.724 -15.254 -16.237 1.00 31.13 C ATOM 770 CG ARG A 60 4.712 -15.831 -15.260 1.00 65.51 C ATOM 771 CD ARG A 60 4.236 -17.207 -15.700 1.00 12.11 C ATOM 772 NE ARG A 60 2.834 -17.195 -16.110 1.00 21.24 N ATOM 773 CZ ARG A 60 2.152 -18.290 -16.427 1.00 61.11 C ATOM 774 NH1 ARG A 60 2.740 -19.478 -16.382 1.00 12.32 N ATOM 775 NH2 ARG A 60 0.879 -18.198 -16.790 1.00 62.24 N ATOM 0 H ARG A 60 7.607 -15.126 -14.403 1.00 11.35 H new ATOM 0 HA ARG A 60 6.910 -17.017 -16.562 1.00 52.34 H new ATOM 0 HB2 ARG A 60 5.894 -14.205 -15.994 1.00 31.13 H new ATOM 0 HB3 ARG A 60 5.304 -15.285 -17.242 1.00 31.13 H new ATOM 0 HG2 ARG A 60 5.160 -15.899 -14.269 1.00 65.51 H new ATOM 0 HG3 ARG A 60 3.858 -15.158 -15.179 1.00 65.51 H new ATOM 0 HD2 ARG A 60 4.853 -17.557 -16.528 1.00 12.11 H new ATOM 0 HD3 ARG A 60 4.369 -17.915 -14.882 1.00 12.11 H new ATOM 0 HE ARG A 60 2.352 -16.297 -16.155 1.00 21.24 H new ATOM 0 HH11 ARG A 60 3.718 -19.553 -16.103 1.00 12.32 H new ATOM 0 HH12 ARG A 60 2.214 -20.317 -16.626 1.00 12.32 H new ATOM 0 HH21 ARG A 60 0.424 -17.286 -16.826 1.00 62.24 H new ATOM 0 HH22 ARG A 60 0.356 -19.039 -17.033 1.00 62.24 H new ATOM 789 N THR A 61 8.460 -16.055 -18.220 1.00 24.54 N ATOM 790 CA THR A 61 9.385 -15.528 -19.215 1.00 61.52 C ATOM 791 C THR A 61 8.721 -15.428 -20.584 1.00 11.34 C ATOM 792 O THR A 61 8.507 -16.436 -21.257 1.00 41.24 O ATOM 793 CB THR A 61 10.645 -16.407 -19.332 1.00 41.32 C ATOM 794 OG1 THR A 61 11.417 -16.006 -20.470 1.00 25.44 O ATOM 795 CG2 THR A 61 10.271 -17.876 -19.459 1.00 10.24 C ATOM 0 H THR A 61 8.183 -17.024 -18.374 1.00 24.54 H new ATOM 0 HA THR A 61 9.675 -14.532 -18.881 1.00 61.52 H new ATOM 0 HB THR A 61 11.237 -16.277 -18.426 1.00 41.32 H new ATOM 0 HG1 THR A 61 12.217 -16.568 -20.537 1.00 25.44 H new ATOM 0 HG21 THR A 61 11.177 -18.476 -19.540 1.00 10.24 H new ATOM 0 HG22 THR A 61 9.708 -18.186 -18.578 1.00 10.24 H new ATOM 0 HG23 THR A 61 9.659 -18.020 -20.350 1.00 10.24 H new ATOM 803 N LYS A 62 8.397 -14.205 -20.990 1.00 75.00 N ATOM 804 CA LYS A 62 7.758 -13.971 -22.280 1.00 30.22 C ATOM 805 C LYS A 62 8.348 -12.743 -22.965 1.00 5.35 C ATOM 806 O LYS A 62 8.921 -11.861 -22.324 1.00 40.43 O ATOM 807 CB LYS A 62 6.249 -13.792 -22.100 1.00 11.11 C ATOM 808 CG LYS A 62 5.877 -12.939 -20.900 1.00 15.33 C ATOM 809 CD LYS A 62 5.338 -13.786 -19.759 1.00 53.30 C ATOM 810 CE LYS A 62 3.969 -14.360 -20.090 1.00 31.41 C ATOM 811 NZ LYS A 62 3.989 -15.849 -20.137 1.00 13.33 N ATOM 0 H LYS A 62 8.566 -13.360 -20.444 1.00 75.00 H new ATOM 0 HA LYS A 62 7.942 -14.841 -22.911 1.00 30.22 H new ATOM 0 HB2 LYS A 62 5.835 -13.338 -23.000 1.00 11.11 H new ATOM 0 HB3 LYS A 62 5.785 -14.773 -21.996 1.00 11.11 H new ATOM 0 HG2 LYS A 62 6.752 -12.385 -20.561 1.00 15.33 H new ATOM 0 HG3 LYS A 62 5.128 -12.203 -21.194 1.00 15.33 H new ATOM 0 HD2 LYS A 62 6.033 -14.599 -19.548 1.00 53.30 H new ATOM 0 HD3 LYS A 62 5.271 -13.181 -18.855 1.00 53.30 H new ATOM 0 HE2 LYS A 62 3.246 -14.030 -19.344 1.00 31.41 H new ATOM 0 HE3 LYS A 62 3.635 -13.971 -21.052 1.00 31.41 H new ATOM 0 HZ1 LYS A 62 3.127 -16.193 -20.605 1.00 13.33 H new ATOM 0 HZ2 LYS A 62 4.823 -16.168 -20.670 1.00 13.33 H new ATOM 0 HZ3 LYS A 62 4.031 -16.226 -19.169 1.00 13.33 H new ATOM 825 N PRO A 63 8.206 -12.681 -24.297 1.00 1.02 N ATOM 826 CA PRO A 63 8.717 -11.564 -25.097 1.00 2.14 C ATOM 827 C PRO A 63 7.939 -10.275 -24.856 1.00 3.35 C ATOM 828 O PRO A 63 8.404 -9.186 -25.193 1.00 10.23 O ATOM 829 CB PRO A 63 8.525 -12.043 -26.538 1.00 5.51 C ATOM 830 CG PRO A 63 7.409 -13.026 -26.465 1.00 20.20 C ATOM 831 CD PRO A 63 7.535 -13.697 -25.125 1.00 12.20 C ATOM 0 HA PRO A 63 9.750 -11.323 -24.848 1.00 2.14 H new ATOM 0 HB2 PRO A 63 8.279 -11.214 -27.201 1.00 5.51 H new ATOM 0 HB3 PRO A 63 9.433 -12.504 -26.926 1.00 5.51 H new ATOM 0 HG2 PRO A 63 6.444 -12.529 -26.563 1.00 20.20 H new ATOM 0 HG3 PRO A 63 7.476 -13.754 -27.274 1.00 20.20 H new ATOM 0 HD2 PRO A 63 6.561 -13.968 -24.718 1.00 12.20 H new ATOM 0 HD3 PRO A 63 8.120 -14.614 -25.188 1.00 12.20 H new ATOM 839 N SER A 64 6.753 -10.405 -24.270 1.00 24.33 N ATOM 840 CA SER A 64 5.909 -9.250 -23.986 1.00 64.44 C ATOM 841 C SER A 64 6.686 -8.186 -23.218 1.00 12.44 C ATOM 842 O SER A 64 7.589 -8.498 -22.442 1.00 32.35 O ATOM 843 CB SER A 64 4.677 -9.677 -23.186 1.00 41.42 C ATOM 844 OG SER A 64 4.256 -10.979 -23.553 1.00 25.33 O ATOM 0 H SER A 64 6.355 -11.299 -23.983 1.00 24.33 H new ATOM 0 HA SER A 64 5.586 -8.824 -24.936 1.00 64.44 H new ATOM 0 HB2 SER A 64 4.905 -9.652 -22.120 1.00 41.42 H new ATOM 0 HB3 SER A 64 3.866 -8.968 -23.355 1.00 41.42 H new ATOM 0 HG SER A 64 3.468 -11.229 -23.026 1.00 25.33 H new ATOM 850 N VAL A 65 6.327 -6.925 -23.439 1.00 42.05 N ATOM 851 CA VAL A 65 6.988 -5.813 -22.768 1.00 3.43 C ATOM 852 C VAL A 65 6.127 -5.263 -21.636 1.00 74.34 C ATOM 853 O VAL A 65 4.898 -5.297 -21.705 1.00 12.20 O ATOM 854 CB VAL A 65 7.310 -4.673 -23.753 1.00 31.10 C ATOM 855 CG1 VAL A 65 8.413 -5.092 -24.712 1.00 64.03 C ATOM 856 CG2 VAL A 65 6.060 -4.259 -24.514 1.00 15.41 C ATOM 0 H VAL A 65 5.582 -6.649 -24.078 1.00 42.05 H new ATOM 0 HA VAL A 65 7.920 -6.202 -22.357 1.00 3.43 H new ATOM 0 HB VAL A 65 7.663 -3.813 -23.184 1.00 31.10 H new ATOM 0 HG11 VAL A 65 8.627 -4.274 -25.400 1.00 64.03 H new ATOM 0 HG12 VAL A 65 9.313 -5.336 -24.147 1.00 64.03 H new ATOM 0 HG13 VAL A 65 8.091 -5.967 -25.277 1.00 64.03 H new ATOM 0 HG21 VAL A 65 6.305 -3.453 -25.205 1.00 15.41 H new ATOM 0 HG22 VAL A 65 5.675 -5.112 -25.073 1.00 15.41 H new ATOM 0 HG23 VAL A 65 5.302 -3.915 -23.810 1.00 15.41 H new ATOM 866 N PHE A 66 6.779 -4.757 -20.595 1.00 61.32 N ATOM 867 CA PHE A 66 6.073 -4.201 -19.447 1.00 53.53 C ATOM 868 C PHE A 66 6.219 -2.682 -19.403 1.00 31.32 C ATOM 869 O PHE A 66 7.330 -2.153 -19.425 1.00 24.33 O ATOM 870 CB PHE A 66 6.602 -4.813 -18.149 1.00 64.43 C ATOM 871 CG PHE A 66 6.729 -6.309 -18.201 1.00 32.25 C ATOM 872 CD1 PHE A 66 7.973 -6.909 -18.304 1.00 22.54 C ATOM 873 CD2 PHE A 66 5.603 -7.115 -18.146 1.00 52.02 C ATOM 874 CE1 PHE A 66 8.093 -8.286 -18.351 1.00 1.34 C ATOM 875 CE2 PHE A 66 5.717 -8.492 -18.192 1.00 55.44 C ATOM 876 CZ PHE A 66 6.963 -9.078 -18.296 1.00 10.31 C ATOM 0 H PHE A 66 7.796 -4.720 -20.523 1.00 61.32 H new ATOM 0 HA PHE A 66 5.016 -4.445 -19.550 1.00 53.53 H new ATOM 0 HB2 PHE A 66 7.577 -4.381 -17.924 1.00 64.43 H new ATOM 0 HB3 PHE A 66 5.936 -4.541 -17.330 1.00 64.43 H new ATOM 0 HD1 PHE A 66 8.860 -6.294 -18.348 1.00 22.54 H new ATOM 0 HD2 PHE A 66 4.626 -6.662 -18.066 1.00 52.02 H new ATOM 0 HE1 PHE A 66 9.069 -8.741 -18.431 1.00 1.34 H new ATOM 0 HE2 PHE A 66 4.832 -9.109 -18.147 1.00 55.44 H new ATOM 0 HZ PHE A 66 7.054 -10.154 -18.334 1.00 10.31 H new ATOM 886 N VAL A 67 5.088 -1.986 -19.341 1.00 20.42 N ATOM 887 CA VAL A 67 5.089 -0.529 -19.293 1.00 33.22 C ATOM 888 C VAL A 67 4.333 -0.019 -18.071 1.00 24.34 C ATOM 889 O VAL A 67 3.325 -0.597 -17.664 1.00 63.55 O ATOM 890 CB VAL A 67 4.458 0.075 -20.561 1.00 75.54 C ATOM 891 CG1 VAL A 67 5.238 -0.344 -21.798 1.00 23.43 C ATOM 892 CG2 VAL A 67 2.998 -0.338 -20.678 1.00 12.44 C ATOM 0 H VAL A 67 4.160 -2.408 -19.323 1.00 20.42 H new ATOM 0 HA VAL A 67 6.131 -0.215 -19.230 1.00 33.22 H new ATOM 0 HB VAL A 67 4.501 1.161 -20.484 1.00 75.54 H new ATOM 0 HG11 VAL A 67 4.777 0.093 -22.684 1.00 23.43 H new ATOM 0 HG12 VAL A 67 6.267 0.005 -21.715 1.00 23.43 H new ATOM 0 HG13 VAL A 67 5.230 -1.431 -21.883 1.00 23.43 H new ATOM 0 HG21 VAL A 67 2.568 0.098 -21.580 1.00 12.44 H new ATOM 0 HG22 VAL A 67 2.930 -1.425 -20.732 1.00 12.44 H new ATOM 0 HG23 VAL A 67 2.449 0.017 -19.806 1.00 12.44 H new ATOM 902 N VAL A 68 4.828 1.068 -17.488 1.00 15.44 N ATOM 903 CA VAL A 68 4.199 1.658 -16.312 1.00 14.21 C ATOM 904 C VAL A 68 3.761 3.093 -16.584 1.00 45.22 C ATOM 905 O VAL A 68 4.588 3.964 -16.858 1.00 73.12 O ATOM 906 CB VAL A 68 5.149 1.644 -15.100 1.00 62.11 C ATOM 907 CG1 VAL A 68 4.482 2.279 -13.890 1.00 14.21 C ATOM 908 CG2 VAL A 68 5.594 0.223 -14.789 1.00 60.22 C ATOM 0 H VAL A 68 5.662 1.558 -17.811 1.00 15.44 H new ATOM 0 HA VAL A 68 3.323 1.051 -16.084 1.00 14.21 H new ATOM 0 HB VAL A 68 6.033 2.232 -15.347 1.00 62.11 H new ATOM 0 HG11 VAL A 68 5.169 2.260 -13.044 1.00 14.21 H new ATOM 0 HG12 VAL A 68 4.218 3.311 -14.120 1.00 14.21 H new ATOM 0 HG13 VAL A 68 3.580 1.722 -13.638 1.00 14.21 H new ATOM 0 HG21 VAL A 68 6.265 0.232 -13.930 1.00 60.22 H new ATOM 0 HG22 VAL A 68 4.722 -0.390 -14.562 1.00 60.22 H new ATOM 0 HG23 VAL A 68 6.115 -0.192 -15.652 1.00 60.22 H new ATOM 918 N PHE A 69 2.457 3.333 -16.506 1.00 52.34 N ATOM 919 CA PHE A 69 1.909 4.663 -16.745 1.00 13.41 C ATOM 920 C PHE A 69 1.980 5.516 -15.481 1.00 71.32 C ATOM 921 O PHE A 69 1.761 5.024 -14.375 1.00 62.21 O ATOM 922 CB PHE A 69 0.459 4.562 -17.225 1.00 2.45 C ATOM 923 CG PHE A 69 0.312 3.863 -18.546 1.00 3.23 C ATOM 924 CD1 PHE A 69 0.118 4.588 -19.710 1.00 44.14 C ATOM 925 CD2 PHE A 69 0.368 2.481 -18.623 1.00 35.23 C ATOM 926 CE1 PHE A 69 -0.017 3.948 -20.928 1.00 21.21 C ATOM 927 CE2 PHE A 69 0.233 1.835 -19.837 1.00 44.13 C ATOM 928 CZ PHE A 69 0.040 2.569 -20.991 1.00 53.41 C ATOM 0 H PHE A 69 1.760 2.624 -16.279 1.00 52.34 H new ATOM 0 HA PHE A 69 2.508 5.142 -17.519 1.00 13.41 H new ATOM 0 HB2 PHE A 69 -0.127 4.031 -16.475 1.00 2.45 H new ATOM 0 HB3 PHE A 69 0.041 5.565 -17.305 1.00 2.45 H new ATOM 0 HD1 PHE A 69 0.072 5.666 -19.666 1.00 44.14 H new ATOM 0 HD2 PHE A 69 0.519 1.902 -17.724 1.00 35.23 H new ATOM 0 HE1 PHE A 69 -0.167 4.525 -21.829 1.00 21.21 H new ATOM 0 HE2 PHE A 69 0.278 0.757 -19.883 1.00 44.13 H new ATOM 0 HZ PHE A 69 -0.066 2.066 -21.941 1.00 53.41 H new ATOM 938 N ASN A 70 2.288 6.797 -15.655 1.00 62.33 N ATOM 939 CA ASN A 70 2.390 7.718 -14.529 1.00 52.24 C ATOM 940 C ASN A 70 1.021 8.287 -14.167 1.00 4.20 C ATOM 941 O ASN A 70 0.666 8.375 -12.992 1.00 13.12 O ATOM 942 CB ASN A 70 3.356 8.857 -14.861 1.00 65.21 C ATOM 943 CG ASN A 70 3.741 9.664 -13.636 1.00 40.02 C ATOM 944 OD1 ASN A 70 4.794 9.442 -13.038 1.00 40.02 O ATOM 945 ND2 ASN A 70 2.886 10.607 -13.257 1.00 23.11 N ATOM 0 H ASN A 70 2.471 7.221 -16.565 1.00 62.33 H new ATOM 0 HA ASN A 70 2.773 7.164 -13.672 1.00 52.24 H new ATOM 0 HB2 ASN A 70 4.255 8.445 -15.319 1.00 65.21 H new ATOM 0 HB3 ASN A 70 2.897 9.516 -15.597 1.00 65.21 H new ATOM 0 HD21 ASN A 70 3.091 11.182 -12.440 1.00 23.11 H new ATOM 0 HD22 ASN A 70 2.025 10.756 -13.783 1.00 23.11 H new ATOM 952 N SER A 71 0.258 8.672 -15.185 1.00 30.31 N ATOM 953 CA SER A 71 -1.070 9.235 -14.974 1.00 13.21 C ATOM 954 C SER A 71 -2.088 8.135 -14.689 1.00 11.03 C ATOM 955 O SER A 71 -2.165 7.142 -15.413 1.00 10.44 O ATOM 956 CB SER A 71 -1.505 10.043 -16.198 1.00 71.13 C ATOM 957 OG SER A 71 -0.386 10.431 -16.977 1.00 13.34 O ATOM 0 H SER A 71 0.537 8.604 -16.164 1.00 30.31 H new ATOM 0 HA SER A 71 -1.024 9.896 -14.109 1.00 13.21 H new ATOM 0 HB2 SER A 71 -2.187 9.449 -16.806 1.00 71.13 H new ATOM 0 HB3 SER A 71 -2.053 10.929 -15.877 1.00 71.13 H new ATOM 0 HG SER A 71 -0.691 10.945 -17.754 1.00 13.34 H new ATOM 963 N SER A 72 -2.868 8.319 -13.628 1.00 41.52 N ATOM 964 CA SER A 72 -3.879 7.342 -13.244 1.00 30.34 C ATOM 965 C SER A 72 -4.932 7.190 -14.338 1.00 25.44 C ATOM 966 O SER A 72 -5.234 6.079 -14.772 1.00 30.33 O ATOM 967 CB SER A 72 -4.547 7.757 -11.931 1.00 73.14 C ATOM 968 OG SER A 72 -4.846 9.142 -11.927 1.00 45.20 O ATOM 0 H SER A 72 -2.819 9.136 -13.019 1.00 41.52 H new ATOM 0 HA SER A 72 -3.385 6.381 -13.104 1.00 30.34 H new ATOM 0 HB2 SER A 72 -5.463 7.184 -11.788 1.00 73.14 H new ATOM 0 HB3 SER A 72 -3.889 7.521 -11.094 1.00 73.14 H new ATOM 0 HG SER A 72 -5.274 9.382 -11.078 1.00 45.20 H new ATOM 974 N GLU A 73 -5.485 8.315 -14.778 1.00 13.11 N ATOM 975 CA GLU A 73 -6.505 8.307 -15.821 1.00 4.15 C ATOM 976 C GLU A 73 -5.995 7.603 -17.075 1.00 23.04 C ATOM 977 O GLU A 73 -6.611 6.655 -17.560 1.00 50.11 O ATOM 978 CB GLU A 73 -6.928 9.737 -16.162 1.00 0.32 C ATOM 979 CG GLU A 73 -8.339 9.839 -16.716 1.00 70.53 C ATOM 980 CD GLU A 73 -9.226 10.752 -15.892 1.00 23.40 C ATOM 981 OE1 GLU A 73 -10.080 10.231 -15.144 1.00 3.01 O ATOM 982 OE2 GLU A 73 -9.066 11.986 -15.995 1.00 31.32 O ATOM 0 H GLU A 73 -5.245 9.243 -14.429 1.00 13.11 H new ATOM 0 HA GLU A 73 -7.369 7.760 -15.444 1.00 4.15 H new ATOM 0 HB2 GLU A 73 -6.853 10.352 -15.265 1.00 0.32 H new ATOM 0 HB3 GLU A 73 -6.230 10.149 -16.891 1.00 0.32 H new ATOM 0 HG2 GLU A 73 -8.297 10.208 -17.741 1.00 70.53 H new ATOM 0 HG3 GLU A 73 -8.783 8.844 -16.753 1.00 70.53 H new ATOM 989 N GLU A 74 -4.865 8.075 -17.593 1.00 73.14 N ATOM 990 CA GLU A 74 -4.273 7.491 -18.792 1.00 14.55 C ATOM 991 C GLU A 74 -3.930 6.021 -18.568 1.00 53.43 C ATOM 992 O GLU A 74 -4.066 5.197 -19.472 1.00 14.20 O ATOM 993 CB GLU A 74 -3.016 8.265 -19.194 1.00 60.45 C ATOM 994 CG GLU A 74 -2.929 8.552 -20.684 1.00 33.01 C ATOM 995 CD GLU A 74 -3.985 9.535 -21.151 1.00 34.12 C ATOM 996 OE1 GLU A 74 -5.127 9.099 -21.411 1.00 3.20 O ATOM 997 OE2 GLU A 74 -3.671 10.739 -21.256 1.00 72.34 O ATOM 0 H GLU A 74 -4.342 8.859 -17.202 1.00 73.14 H new ATOM 0 HA GLU A 74 -5.004 7.556 -19.598 1.00 14.55 H new ATOM 0 HB2 GLU A 74 -2.990 9.208 -18.649 1.00 60.45 H new ATOM 0 HB3 GLU A 74 -2.137 7.697 -18.890 1.00 60.45 H new ATOM 0 HG2 GLU A 74 -1.941 8.948 -20.917 1.00 33.01 H new ATOM 0 HG3 GLU A 74 -3.037 7.619 -21.237 1.00 33.01 H new ATOM 1004 N ALA A 75 -3.484 5.701 -17.358 1.00 40.21 N ATOM 1005 CA ALA A 75 -3.123 4.332 -17.015 1.00 25.51 C ATOM 1006 C ALA A 75 -4.310 3.391 -17.188 1.00 31.35 C ATOM 1007 O ALA A 75 -4.197 2.345 -17.825 1.00 64.43 O ATOM 1008 CB ALA A 75 -2.598 4.266 -15.588 1.00 63.23 C ATOM 0 H ALA A 75 -3.364 6.372 -16.599 1.00 40.21 H new ATOM 0 HA ALA A 75 -2.335 4.009 -17.696 1.00 25.51 H new ATOM 0 HB1 ALA A 75 -2.332 3.237 -15.345 1.00 63.23 H new ATOM 0 HB2 ALA A 75 -1.716 4.900 -15.495 1.00 63.23 H new ATOM 0 HB3 ALA A 75 -3.369 4.613 -14.900 1.00 63.23 H new ATOM 1014 N GLU A 76 -5.448 3.770 -16.614 1.00 51.03 N ATOM 1015 CA GLU A 76 -6.656 2.958 -16.704 1.00 62.15 C ATOM 1016 C GLU A 76 -7.158 2.888 -18.144 1.00 31.23 C ATOM 1017 O GLU A 76 -7.582 1.832 -18.613 1.00 54.54 O ATOM 1018 CB GLU A 76 -7.749 3.528 -15.798 1.00 71.14 C ATOM 1019 CG GLU A 76 -7.605 3.122 -14.341 1.00 50.03 C ATOM 1020 CD GLU A 76 -8.910 3.224 -13.575 1.00 43.53 C ATOM 1021 OE1 GLU A 76 -9.698 4.147 -13.869 1.00 13.52 O ATOM 1022 OE2 GLU A 76 -9.142 2.383 -12.683 1.00 31.31 O ATOM 0 H GLU A 76 -5.558 4.633 -16.082 1.00 51.03 H new ATOM 0 HA GLU A 76 -6.410 1.949 -16.373 1.00 62.15 H new ATOM 0 HB2 GLU A 76 -7.735 4.616 -15.866 1.00 71.14 H new ATOM 0 HB3 GLU A 76 -8.721 3.198 -16.164 1.00 71.14 H new ATOM 0 HG2 GLU A 76 -7.236 2.098 -14.288 1.00 50.03 H new ATOM 0 HG3 GLU A 76 -6.857 3.755 -13.863 1.00 50.03 H new ATOM 1029 N ALA A 77 -7.107 4.020 -18.838 1.00 20.11 N ATOM 1030 CA ALA A 77 -7.555 4.087 -20.223 1.00 41.43 C ATOM 1031 C ALA A 77 -6.822 3.067 -21.088 1.00 31.15 C ATOM 1032 O ALA A 77 -7.446 2.270 -21.788 1.00 70.24 O ATOM 1033 CB ALA A 77 -7.354 5.491 -20.775 1.00 64.13 C ATOM 0 H ALA A 77 -6.760 4.903 -18.464 1.00 20.11 H new ATOM 0 HA ALA A 77 -8.618 3.847 -20.247 1.00 41.43 H new ATOM 0 HB1 ALA A 77 -7.693 5.527 -21.810 1.00 64.13 H new ATOM 0 HB2 ALA A 77 -7.928 6.201 -20.180 1.00 64.13 H new ATOM 0 HB3 ALA A 77 -6.297 5.752 -20.730 1.00 64.13 H new ATOM 1039 N PHE A 78 -5.495 3.097 -21.034 1.00 4.33 N ATOM 1040 CA PHE A 78 -4.677 2.176 -21.813 1.00 64.33 C ATOM 1041 C PHE A 78 -4.885 0.737 -21.349 1.00 2.34 C ATOM 1042 O PHE A 78 -4.939 -0.186 -22.161 1.00 15.24 O ATOM 1043 CB PHE A 78 -3.198 2.551 -21.699 1.00 43.42 C ATOM 1044 CG PHE A 78 -2.770 3.606 -22.679 1.00 1.40 C ATOM 1045 CD1 PHE A 78 -1.816 3.328 -23.644 1.00 43.22 C ATOM 1046 CD2 PHE A 78 -3.322 4.877 -22.634 1.00 62.43 C ATOM 1047 CE1 PHE A 78 -1.420 4.297 -24.548 1.00 20.44 C ATOM 1048 CE2 PHE A 78 -2.930 5.849 -23.535 1.00 74.23 C ATOM 1049 CZ PHE A 78 -1.978 5.559 -24.492 1.00 65.12 C ATOM 0 H PHE A 78 -4.963 3.750 -20.458 1.00 4.33 H new ATOM 0 HA PHE A 78 -4.984 2.251 -22.856 1.00 64.33 H new ATOM 0 HB2 PHE A 78 -2.998 2.904 -20.687 1.00 43.42 H new ATOM 0 HB3 PHE A 78 -2.592 1.658 -21.851 1.00 43.42 H new ATOM 0 HD1 PHE A 78 -1.376 2.343 -23.691 1.00 43.22 H new ATOM 0 HD2 PHE A 78 -4.066 5.110 -21.887 1.00 62.43 H new ATOM 0 HE1 PHE A 78 -0.676 4.067 -25.296 1.00 20.44 H new ATOM 0 HE2 PHE A 78 -3.368 6.835 -23.490 1.00 74.23 H new ATOM 0 HZ PHE A 78 -1.670 6.318 -25.196 1.00 65.12 H new ATOM 1059 N GLN A 79 -4.999 0.556 -20.037 1.00 15.31 N ATOM 1060 CA GLN A 79 -5.200 -0.769 -19.464 1.00 33.42 C ATOM 1061 C GLN A 79 -6.428 -1.443 -20.068 1.00 23.40 C ATOM 1062 O GLN A 79 -6.372 -2.601 -20.483 1.00 74.14 O ATOM 1063 CB GLN A 79 -5.352 -0.674 -17.945 1.00 11.23 C ATOM 1064 CG GLN A 79 -4.149 -1.199 -17.179 1.00 23.03 C ATOM 1065 CD GLN A 79 -4.003 -0.560 -15.812 1.00 22.33 C ATOM 1066 OE1 GLN A 79 -3.041 0.163 -15.551 1.00 50.11 O ATOM 1067 NE2 GLN A 79 -4.959 -0.825 -14.929 1.00 54.43 N ATOM 0 H GLN A 79 -4.956 1.310 -19.352 1.00 15.31 H new ATOM 0 HA GLN A 79 -4.324 -1.374 -19.697 1.00 33.42 H new ATOM 0 HB2 GLN A 79 -5.521 0.367 -17.670 1.00 11.23 H new ATOM 0 HB3 GLN A 79 -6.238 -1.232 -17.641 1.00 11.23 H new ATOM 0 HG2 GLN A 79 -4.240 -2.279 -17.063 1.00 23.03 H new ATOM 0 HG3 GLN A 79 -3.245 -1.016 -17.760 1.00 23.03 H new ATOM 0 HE21 GLN A 79 -5.739 -1.430 -15.188 1.00 54.43 H new ATOM 0 HE22 GLN A 79 -4.914 -0.424 -13.992 1.00 54.43 H new ATOM 1076 N LYS A 80 -7.536 -0.712 -20.114 1.00 1.23 N ATOM 1077 CA LYS A 80 -8.778 -1.237 -20.668 1.00 20.43 C ATOM 1078 C LYS A 80 -8.590 -1.657 -22.122 1.00 55.53 C ATOM 1079 O LYS A 80 -8.638 -2.842 -22.447 1.00 60.53 O ATOM 1080 CB LYS A 80 -9.889 -0.190 -20.567 1.00 10.12 C ATOM 1081 CG LYS A 80 -11.254 -0.708 -20.987 1.00 24.24 C ATOM 1082 CD LYS A 80 -12.255 0.423 -21.146 1.00 12.43 C ATOM 1083 CE LYS A 80 -12.488 0.760 -22.611 1.00 33.44 C ATOM 1084 NZ LYS A 80 -13.601 1.733 -22.786 1.00 11.51 N ATOM 0 H LYS A 80 -7.599 0.247 -19.774 1.00 1.23 H new ATOM 0 HA LYS A 80 -9.062 -2.115 -20.089 1.00 20.43 H new ATOM 0 HB2 LYS A 80 -9.946 0.168 -19.539 1.00 10.12 H new ATOM 0 HB3 LYS A 80 -9.628 0.666 -21.189 1.00 10.12 H new ATOM 0 HG2 LYS A 80 -11.164 -1.251 -21.928 1.00 24.24 H new ATOM 0 HG3 LYS A 80 -11.620 -1.417 -20.244 1.00 24.24 H new ATOM 0 HD2 LYS A 80 -13.200 0.142 -20.682 1.00 12.43 H new ATOM 0 HD3 LYS A 80 -11.893 1.307 -20.621 1.00 12.43 H new ATOM 0 HE2 LYS A 80 -11.574 1.173 -23.038 1.00 33.44 H new ATOM 0 HE3 LYS A 80 -12.714 -0.153 -23.162 1.00 33.44 H new ATOM 0 HZ1 LYS A 80 -13.728 1.937 -23.798 1.00 11.51 H new ATOM 0 HZ2 LYS A 80 -14.479 1.329 -22.401 1.00 11.51 H new ATOM 0 HZ3 LYS A 80 -13.375 2.614 -22.281 1.00 11.51 H new ATOM 1098 N ALA A 81 -8.376 -0.676 -22.993 1.00 51.30 N ATOM 1099 CA ALA A 81 -8.178 -0.944 -24.412 1.00 42.30 C ATOM 1100 C ALA A 81 -6.863 -0.348 -24.905 1.00 32.33 C ATOM 1101 O ALA A 81 -6.288 0.546 -24.285 1.00 1.25 O ATOM 1102 CB ALA A 81 -9.344 -0.395 -25.221 1.00 1.13 C ATOM 0 H ALA A 81 -8.335 0.311 -22.741 1.00 51.30 H new ATOM 0 HA ALA A 81 -8.132 -2.024 -24.549 1.00 42.30 H new ATOM 0 HB1 ALA A 81 -9.183 -0.602 -26.279 1.00 1.13 H new ATOM 0 HB2 ALA A 81 -10.269 -0.871 -24.895 1.00 1.13 H new ATOM 0 HB3 ALA A 81 -9.417 0.682 -25.069 1.00 1.13 H new ATOM 1108 N PRO A 82 -6.374 -0.855 -26.046 1.00 73.03 N ATOM 1109 CA PRO A 82 -5.121 -0.388 -26.647 1.00 55.32 C ATOM 1110 C PRO A 82 -5.240 1.025 -27.210 1.00 61.50 C ATOM 1111 O PRO A 82 -6.333 1.575 -27.346 1.00 62.22 O ATOM 1112 CB PRO A 82 -4.872 -1.393 -27.774 1.00 61.21 C ATOM 1113 CG PRO A 82 -6.223 -1.916 -28.122 1.00 10.41 C ATOM 1114 CD PRO A 82 -7.007 -1.923 -26.839 1.00 11.32 C ATOM 0 HA PRO A 82 -4.313 -0.336 -25.917 1.00 55.32 H new ATOM 0 HB2 PRO A 82 -4.399 -0.916 -28.632 1.00 61.21 H new ATOM 0 HB3 PRO A 82 -4.209 -2.195 -27.450 1.00 61.21 H new ATOM 0 HG2 PRO A 82 -6.704 -1.286 -28.870 1.00 10.41 H new ATOM 0 HG3 PRO A 82 -6.157 -2.919 -28.544 1.00 10.41 H new ATOM 0 HD2 PRO A 82 -8.064 -1.722 -27.013 1.00 11.32 H new ATOM 0 HD3 PRO A 82 -6.945 -2.888 -26.336 1.00 11.32 H new ATOM 1122 N PRO A 83 -4.089 1.627 -27.546 1.00 35.10 N ATOM 1123 CA PRO A 83 -4.039 2.983 -28.101 1.00 25.23 C ATOM 1124 C PRO A 83 -4.602 3.052 -29.516 1.00 63.20 C ATOM 1125 O PRO A 83 -5.165 4.068 -29.921 1.00 13.12 O ATOM 1126 CB PRO A 83 -2.543 3.309 -28.104 1.00 21.22 C ATOM 1127 CG PRO A 83 -1.866 1.983 -28.168 1.00 14.03 C ATOM 1128 CD PRO A 83 -2.750 1.030 -27.411 1.00 0.43 C ATOM 0 HA PRO A 83 -4.641 3.683 -27.522 1.00 25.23 H new ATOM 0 HB2 PRO A 83 -2.275 3.932 -28.958 1.00 21.22 H new ATOM 0 HB3 PRO A 83 -2.256 3.857 -27.207 1.00 21.22 H new ATOM 0 HG2 PRO A 83 -1.738 1.660 -29.201 1.00 14.03 H new ATOM 0 HG3 PRO A 83 -0.872 2.030 -27.723 1.00 14.03 H new ATOM 0 HD2 PRO A 83 -2.713 0.026 -27.834 1.00 0.43 H new ATOM 0 HD3 PRO A 83 -2.450 0.947 -26.366 1.00 0.43 H new ATOM 1136 N MET A 84 -4.446 1.964 -30.264 1.00 3.14 N ATOM 1137 CA MET A 84 -4.941 1.902 -31.634 1.00 21.41 C ATOM 1138 C MET A 84 -4.280 2.969 -32.500 1.00 64.01 C ATOM 1139 O MET A 84 -4.734 4.112 -32.548 1.00 52.23 O ATOM 1140 CB MET A 84 -6.460 2.078 -31.658 1.00 74.23 C ATOM 1141 CG MET A 84 -7.207 0.849 -32.151 1.00 62.14 C ATOM 1142 SD MET A 84 -8.304 1.212 -33.535 1.00 74.31 S ATOM 1143 CE MET A 84 -7.521 0.273 -34.844 1.00 31.31 C ATOM 0 H MET A 84 -3.981 1.114 -29.944 1.00 3.14 H new ATOM 0 HA MET A 84 -4.689 0.923 -32.041 1.00 21.41 H new ATOM 0 HB2 MET A 84 -6.805 2.324 -30.654 1.00 74.23 H new ATOM 0 HB3 MET A 84 -6.709 2.925 -32.297 1.00 74.23 H new ATOM 0 HG2 MET A 84 -6.487 0.088 -32.453 1.00 62.14 H new ATOM 0 HG3 MET A 84 -7.790 0.429 -31.331 1.00 62.14 H new ATOM 0 HE1 MET A 84 -8.085 0.397 -35.768 1.00 31.31 H new ATOM 0 HE2 MET A 84 -6.502 0.632 -34.990 1.00 31.31 H new ATOM 0 HE3 MET A 84 -7.498 -0.782 -34.571 1.00 31.31 H new ATOM 1153 N TYR A 85 -3.205 2.589 -33.182 1.00 21.31 N ATOM 1154 CA TYR A 85 -2.480 3.514 -34.044 1.00 42.31 C ATOM 1155 C TYR A 85 -2.478 3.025 -35.489 1.00 40.02 C ATOM 1156 O TYR A 85 -2.056 1.905 -35.776 1.00 74.45 O ATOM 1157 CB TYR A 85 -1.042 3.685 -33.550 1.00 33.21 C ATOM 1158 CG TYR A 85 -0.640 5.128 -33.344 1.00 62.41 C ATOM 1159 CD1 TYR A 85 0.016 5.528 -32.186 1.00 63.24 C ATOM 1160 CD2 TYR A 85 -0.916 6.091 -34.306 1.00 73.24 C ATOM 1161 CE1 TYR A 85 0.385 6.845 -31.994 1.00 4.14 C ATOM 1162 CE2 TYR A 85 -0.550 7.410 -34.123 1.00 23.12 C ATOM 1163 CZ TYR A 85 0.101 7.782 -32.965 1.00 13.22 C ATOM 1164 OH TYR A 85 0.466 9.095 -32.777 1.00 43.54 O ATOM 0 H TYR A 85 -2.817 1.646 -33.154 1.00 21.31 H new ATOM 0 HA TYR A 85 -2.987 4.478 -34.006 1.00 42.31 H new ATOM 0 HB2 TYR A 85 -0.923 3.146 -32.610 1.00 33.21 H new ATOM 0 HB3 TYR A 85 -0.363 3.226 -34.269 1.00 33.21 H new ATOM 0 HD1 TYR A 85 0.241 4.797 -31.424 1.00 63.24 H new ATOM 0 HD2 TYR A 85 -1.426 5.803 -35.213 1.00 73.24 H new ATOM 0 HE1 TYR A 85 0.893 7.140 -31.088 1.00 4.14 H new ATOM 0 HE2 TYR A 85 -0.772 8.146 -34.882 1.00 23.12 H new ATOM 0 HH TYR A 85 0.194 9.625 -33.555 1.00 43.54 H new ATOM 1174 N ASP A 86 -2.952 3.874 -36.395 1.00 23.24 N ATOM 1175 CA ASP A 86 -3.004 3.530 -37.811 1.00 0.41 C ATOM 1176 C ASP A 86 -1.644 3.045 -38.303 1.00 20.01 C ATOM 1177 O ASP A 86 -1.552 2.048 -39.020 1.00 3.24 O ATOM 1178 CB ASP A 86 -3.457 4.737 -38.634 1.00 2.51 C ATOM 1179 CG ASP A 86 -4.637 4.417 -39.530 1.00 13.53 C ATOM 1180 OD1 ASP A 86 -5.706 5.038 -39.348 1.00 42.30 O ATOM 1181 OD2 ASP A 86 -4.492 3.547 -40.413 1.00 35.11 O ATOM 0 H ASP A 86 -3.305 4.805 -36.174 1.00 23.24 H new ATOM 0 HA ASP A 86 -3.725 2.722 -37.937 1.00 0.41 H new ATOM 0 HB2 ASP A 86 -3.726 5.551 -37.961 1.00 2.51 H new ATOM 0 HB3 ASP A 86 -2.626 5.089 -39.245 1.00 2.51 H new ATOM 1186 N ASP A 87 -0.592 3.756 -37.914 1.00 43.42 N ATOM 1187 CA ASP A 87 0.764 3.398 -38.316 1.00 12.44 C ATOM 1188 C ASP A 87 1.054 1.934 -38.002 1.00 45.01 C ATOM 1189 O ASP A 87 1.293 1.131 -38.904 1.00 30.31 O ATOM 1190 CB ASP A 87 1.781 4.296 -37.609 1.00 65.35 C ATOM 1191 CG ASP A 87 1.742 5.725 -38.114 1.00 73.31 C ATOM 1192 OD1 ASP A 87 0.807 6.462 -37.736 1.00 41.11 O ATOM 1193 OD2 ASP A 87 2.646 6.106 -38.886 1.00 53.14 O ATOM 0 H ASP A 87 -0.651 4.584 -37.321 1.00 43.42 H new ATOM 0 HA ASP A 87 0.849 3.544 -39.393 1.00 12.44 H new ATOM 0 HB2 ASP A 87 1.585 4.287 -36.537 1.00 65.35 H new ATOM 0 HB3 ASP A 87 2.782 3.890 -37.754 1.00 65.35 H new ATOM 1198 N VAL A 88 1.034 1.594 -36.717 1.00 72.33 N ATOM 1199 CA VAL A 88 1.295 0.226 -36.284 1.00 40.13 C ATOM 1200 C VAL A 88 0.226 -0.255 -35.310 1.00 21.42 C ATOM 1201 O VAL A 88 -0.076 0.416 -34.324 1.00 0.31 O ATOM 1202 CB VAL A 88 2.677 0.104 -35.615 1.00 71.52 C ATOM 1203 CG1 VAL A 88 2.988 -1.351 -35.295 1.00 43.52 C ATOM 1204 CG2 VAL A 88 3.754 0.705 -36.505 1.00 24.21 C ATOM 0 H VAL A 88 0.840 2.247 -35.958 1.00 72.33 H new ATOM 0 HA VAL A 88 1.276 -0.399 -37.177 1.00 40.13 H new ATOM 0 HB VAL A 88 2.659 0.661 -34.678 1.00 71.52 H new ATOM 0 HG11 VAL A 88 3.968 -1.418 -34.823 1.00 43.52 H new ATOM 0 HG12 VAL A 88 2.231 -1.744 -34.617 1.00 43.52 H new ATOM 0 HG13 VAL A 88 2.988 -1.934 -36.216 1.00 43.52 H new ATOM 0 HG21 VAL A 88 4.724 0.610 -36.017 1.00 24.21 H new ATOM 0 HG22 VAL A 88 3.774 0.177 -37.458 1.00 24.21 H new ATOM 0 HG23 VAL A 88 3.536 1.759 -36.678 1.00 24.21 H new ATOM 1214 N GLN A 89 -0.342 -1.423 -35.593 1.00 31.11 N ATOM 1215 CA GLN A 89 -1.378 -1.995 -34.741 1.00 11.42 C ATOM 1216 C GLN A 89 -0.829 -2.311 -33.354 1.00 24.32 C ATOM 1217 O GLN A 89 0.115 -3.091 -33.211 1.00 54.41 O ATOM 1218 CB GLN A 89 -1.950 -3.262 -35.378 1.00 20.45 C ATOM 1219 CG GLN A 89 -3.467 -3.344 -35.315 1.00 3.30 C ATOM 1220 CD GLN A 89 -3.990 -4.733 -35.623 1.00 41.33 C ATOM 1221 OE1 GLN A 89 -3.752 -5.679 -34.872 1.00 63.15 O ATOM 1222 NE2 GLN A 89 -4.708 -4.862 -36.733 1.00 23.41 N ATOM 0 H GLN A 89 -0.102 -1.991 -36.405 1.00 31.11 H new ATOM 0 HA GLN A 89 -2.175 -1.259 -34.637 1.00 11.42 H new ATOM 0 HB2 GLN A 89 -1.635 -3.308 -36.420 1.00 20.45 H new ATOM 0 HB3 GLN A 89 -1.526 -4.133 -34.878 1.00 20.45 H new ATOM 0 HG2 GLN A 89 -3.802 -3.046 -34.322 1.00 3.30 H new ATOM 0 HG3 GLN A 89 -3.895 -2.634 -36.022 1.00 3.30 H new ATOM 0 HE21 GLN A 89 -4.880 -4.050 -37.326 1.00 23.41 H new ATOM 0 HE22 GLN A 89 -5.087 -5.773 -36.992 1.00 23.41 H new ATOM 1231 N LEU A 90 -1.424 -1.702 -32.334 1.00 63.50 N ATOM 1232 CA LEU A 90 -0.994 -1.919 -30.957 1.00 23.20 C ATOM 1233 C LEU A 90 -1.919 -2.901 -30.246 1.00 20.42 C ATOM 1234 O LEU A 90 -3.142 -2.818 -30.365 1.00 41.33 O ATOM 1235 CB LEU A 90 -0.960 -0.592 -30.198 1.00 4.24 C ATOM 1236 CG LEU A 90 0.426 -0.084 -29.795 1.00 75.12 C ATOM 1237 CD1 LEU A 90 1.111 -1.079 -28.871 1.00 51.32 C ATOM 1238 CD2 LEU A 90 1.278 0.175 -31.029 1.00 53.21 C ATOM 0 H LEU A 90 -2.205 -1.054 -32.435 1.00 63.50 H new ATOM 0 HA LEU A 90 0.009 -2.344 -30.978 1.00 23.20 H new ATOM 0 HB2 LEU A 90 -1.439 0.169 -30.815 1.00 4.24 H new ATOM 0 HB3 LEU A 90 -1.563 -0.697 -29.296 1.00 4.24 H new ATOM 0 HG LEU A 90 0.306 0.856 -29.257 1.00 75.12 H new ATOM 0 HD11 LEU A 90 2.095 -0.701 -28.595 1.00 51.32 H new ATOM 0 HD12 LEU A 90 0.509 -1.215 -27.972 1.00 51.32 H new ATOM 0 HD13 LEU A 90 1.220 -2.035 -29.383 1.00 51.32 H new ATOM 0 HD21 LEU A 90 2.260 0.536 -30.724 1.00 53.21 H new ATOM 0 HD22 LEU A 90 1.391 -0.750 -31.594 1.00 53.21 H new ATOM 0 HD23 LEU A 90 0.794 0.925 -31.654 1.00 53.21 H new ATOM 1250 N THR A 91 -1.328 -3.832 -29.503 1.00 4.11 N ATOM 1251 CA THR A 91 -2.098 -4.829 -28.771 1.00 71.53 C ATOM 1252 C THR A 91 -1.728 -4.834 -27.293 1.00 24.34 C ATOM 1253 O THR A 91 -0.679 -5.351 -26.907 1.00 74.34 O ATOM 1254 CB THR A 91 -1.881 -6.241 -29.348 1.00 24.21 C ATOM 1255 OG1 THR A 91 -1.367 -6.152 -30.682 1.00 1.24 O ATOM 1256 CG2 THR A 91 -3.181 -7.030 -29.352 1.00 31.42 C ATOM 0 H THR A 91 -0.317 -3.916 -29.393 1.00 4.11 H new ATOM 0 HA THR A 91 -3.148 -4.558 -28.878 1.00 71.53 H new ATOM 0 HB THR A 91 -1.161 -6.761 -28.716 1.00 24.21 H new ATOM 0 HG1 THR A 91 -1.230 -7.054 -31.041 1.00 1.24 H new ATOM 0 HG21 THR A 91 -3.002 -8.023 -29.764 1.00 31.42 H new ATOM 0 HG22 THR A 91 -3.554 -7.122 -28.332 1.00 31.42 H new ATOM 0 HG23 THR A 91 -3.920 -6.511 -29.963 1.00 31.42 H new ATOM 1264 N ALA A 92 -2.595 -4.256 -26.468 1.00 42.02 N ATOM 1265 CA ALA A 92 -2.359 -4.196 -25.031 1.00 35.51 C ATOM 1266 C ALA A 92 -3.334 -5.095 -24.277 1.00 53.03 C ATOM 1267 O ALA A 92 -4.502 -5.208 -24.649 1.00 64.54 O ATOM 1268 CB ALA A 92 -2.471 -2.762 -24.537 1.00 12.22 C ATOM 0 H ALA A 92 -3.467 -3.823 -26.771 1.00 42.02 H new ATOM 0 HA ALA A 92 -1.349 -4.557 -24.838 1.00 35.51 H new ATOM 0 HB1 ALA A 92 -2.292 -2.732 -23.462 1.00 12.22 H new ATOM 0 HB2 ALA A 92 -1.731 -2.143 -25.045 1.00 12.22 H new ATOM 0 HB3 ALA A 92 -3.470 -2.381 -24.749 1.00 12.22 H new ATOM 1274 N GLU A 93 -2.846 -5.732 -23.217 1.00 55.32 N ATOM 1275 CA GLU A 93 -3.676 -6.621 -22.413 1.00 21.50 C ATOM 1276 C GLU A 93 -3.885 -6.052 -21.013 1.00 31.44 C ATOM 1277 O GLU A 93 -3.208 -5.108 -20.608 1.00 14.42 O ATOM 1278 CB GLU A 93 -3.035 -8.008 -22.321 1.00 52.04 C ATOM 1279 CG GLU A 93 -3.325 -8.893 -23.522 1.00 50.11 C ATOM 1280 CD GLU A 93 -4.677 -9.574 -23.432 1.00 63.10 C ATOM 1281 OE1 GLU A 93 -4.967 -10.432 -24.293 1.00 3.45 O ATOM 1282 OE2 GLU A 93 -5.444 -9.250 -22.502 1.00 73.00 O ATOM 0 H GLU A 93 -1.882 -5.649 -22.896 1.00 55.32 H new ATOM 0 HA GLU A 93 -4.647 -6.708 -22.900 1.00 21.50 H new ATOM 0 HB2 GLU A 93 -1.956 -7.894 -22.216 1.00 52.04 H new ATOM 0 HB3 GLU A 93 -3.392 -8.505 -21.419 1.00 52.04 H new ATOM 0 HG2 GLU A 93 -3.285 -8.291 -24.430 1.00 50.11 H new ATOM 0 HG3 GLU A 93 -2.546 -9.650 -23.607 1.00 50.11 H new ATOM 1289 N MET A 94 -4.828 -6.635 -20.278 1.00 44.45 N ATOM 1290 CA MET A 94 -5.126 -6.186 -18.923 1.00 70.23 C ATOM 1291 C MET A 94 -4.537 -7.144 -17.892 1.00 14.41 C ATOM 1292 O MET A 94 -4.327 -8.323 -18.174 1.00 21.53 O ATOM 1293 CB MET A 94 -6.638 -6.069 -18.723 1.00 73.32 C ATOM 1294 CG MET A 94 -7.035 -5.038 -17.680 1.00 13.32 C ATOM 1295 SD MET A 94 -8.565 -4.180 -18.098 1.00 34.32 S ATOM 1296 CE MET A 94 -9.414 -4.214 -16.521 1.00 1.22 C ATOM 0 H MET A 94 -5.398 -7.418 -20.598 1.00 44.45 H new ATOM 0 HA MET A 94 -4.672 -5.205 -18.783 1.00 70.23 H new ATOM 0 HB2 MET A 94 -7.103 -5.809 -19.674 1.00 73.32 H new ATOM 0 HB3 MET A 94 -7.034 -7.041 -18.430 1.00 73.32 H new ATOM 0 HG2 MET A 94 -7.151 -5.530 -16.714 1.00 13.32 H new ATOM 0 HG3 MET A 94 -6.232 -4.309 -17.572 1.00 13.32 H new ATOM 0 HE1 MET A 94 -10.380 -3.719 -16.617 1.00 1.22 H new ATOM 0 HE2 MET A 94 -9.565 -5.248 -16.211 1.00 1.22 H new ATOM 0 HE3 MET A 94 -8.814 -3.695 -15.773 1.00 1.22 H new ATOM 1306 N LYS A 95 -4.273 -6.628 -16.696 1.00 70.30 N ATOM 1307 CA LYS A 95 -3.709 -7.437 -15.622 1.00 14.14 C ATOM 1308 C LYS A 95 -4.675 -8.543 -15.209 1.00 72.22 C ATOM 1309 O LYS A 95 -4.265 -9.674 -14.944 1.00 3.55 O ATOM 1310 CB LYS A 95 -3.379 -6.558 -14.413 1.00 44.35 C ATOM 1311 CG LYS A 95 -4.576 -5.801 -13.866 1.00 51.41 C ATOM 1312 CD LYS A 95 -4.147 -4.585 -13.062 1.00 11.12 C ATOM 1313 CE LYS A 95 -5.305 -3.622 -12.847 1.00 22.15 C ATOM 1314 NZ LYS A 95 -5.679 -3.517 -11.409 1.00 31.30 N ATOM 0 H LYS A 95 -4.441 -5.653 -16.446 1.00 70.30 H new ATOM 0 HA LYS A 95 -2.792 -7.897 -15.991 1.00 14.14 H new ATOM 0 HB2 LYS A 95 -2.963 -7.183 -13.623 1.00 44.35 H new ATOM 0 HB3 LYS A 95 -2.606 -5.843 -14.694 1.00 44.35 H new ATOM 0 HG2 LYS A 95 -5.216 -5.486 -14.690 1.00 51.41 H new ATOM 0 HG3 LYS A 95 -5.170 -6.464 -13.236 1.00 51.41 H new ATOM 0 HD2 LYS A 95 -3.755 -4.906 -12.097 1.00 11.12 H new ATOM 0 HD3 LYS A 95 -3.337 -4.072 -13.581 1.00 11.12 H new ATOM 0 HE2 LYS A 95 -5.033 -2.636 -13.224 1.00 22.15 H new ATOM 0 HE3 LYS A 95 -6.168 -3.957 -13.423 1.00 22.15 H new ATOM 0 HZ1 LYS A 95 -6.471 -2.852 -11.304 1.00 31.30 H new ATOM 0 HZ2 LYS A 95 -5.963 -4.453 -11.055 1.00 31.30 H new ATOM 0 HZ3 LYS A 95 -4.864 -3.173 -10.862 1.00 31.30 H new ATOM 1328 N THR A 96 -5.962 -8.211 -15.159 1.00 24.33 N ATOM 1329 CA THR A 96 -6.986 -9.176 -14.779 1.00 64.43 C ATOM 1330 C THR A 96 -6.942 -10.406 -15.679 1.00 31.43 C ATOM 1331 O THR A 96 -6.992 -11.540 -15.201 1.00 20.50 O ATOM 1332 CB THR A 96 -8.394 -8.556 -14.845 1.00 30.12 C ATOM 1333 OG1 THR A 96 -8.316 -7.141 -14.643 1.00 42.43 O ATOM 1334 CG2 THR A 96 -9.306 -9.173 -13.795 1.00 74.14 C ATOM 0 H THR A 96 -6.319 -7.281 -15.377 1.00 24.33 H new ATOM 0 HA THR A 96 -6.776 -9.473 -13.751 1.00 64.43 H new ATOM 0 HB THR A 96 -8.811 -8.760 -15.831 1.00 30.12 H new ATOM 0 HG1 THR A 96 -9.215 -6.754 -14.688 1.00 42.43 H new ATOM 0 HG21 THR A 96 -10.295 -8.720 -13.860 1.00 74.14 H new ATOM 0 HG22 THR A 96 -9.387 -10.246 -13.968 1.00 74.14 H new ATOM 0 HG23 THR A 96 -8.891 -8.996 -12.803 1.00 74.14 H new ATOM 1342 N THR A 97 -6.848 -10.176 -16.985 1.00 31.13 N ATOM 1343 CA THR A 97 -6.798 -11.266 -17.951 1.00 53.43 C ATOM 1344 C THR A 97 -5.702 -12.264 -17.598 1.00 71.31 C ATOM 1345 O THR A 97 -5.971 -13.447 -17.388 1.00 30.24 O ATOM 1346 CB THR A 97 -6.557 -10.739 -19.379 1.00 32.52 C ATOM 1347 OG1 THR A 97 -7.402 -9.612 -19.635 1.00 32.22 O ATOM 1348 CG2 THR A 97 -6.827 -11.826 -20.409 1.00 22.12 C ATOM 0 H THR A 97 -6.805 -9.244 -17.398 1.00 31.13 H new ATOM 0 HA THR A 97 -7.766 -11.766 -17.914 1.00 53.43 H new ATOM 0 HB THR A 97 -5.513 -10.435 -19.459 1.00 32.52 H new ATOM 0 HG1 THR A 97 -7.241 -9.282 -20.544 1.00 32.22 H new ATOM 0 HG21 THR A 97 -6.650 -11.431 -21.410 1.00 22.12 H new ATOM 0 HG22 THR A 97 -6.162 -12.671 -20.230 1.00 22.12 H new ATOM 0 HG23 THR A 97 -7.863 -12.156 -20.327 1.00 22.12 H new ATOM 1356 N TYR A 98 -4.467 -11.781 -17.534 1.00 65.11 N ATOM 1357 CA TYR A 98 -3.329 -12.633 -17.208 1.00 2.43 C ATOM 1358 C TYR A 98 -3.567 -13.382 -15.901 1.00 21.54 C ATOM 1359 O TYR A 98 -3.309 -14.583 -15.804 1.00 31.13 O ATOM 1360 CB TYR A 98 -2.052 -11.796 -17.104 1.00 33.34 C ATOM 1361 CG TYR A 98 -1.249 -11.756 -18.384 1.00 2.02 C ATOM 1362 CD1 TYR A 98 -0.597 -12.890 -18.854 1.00 10.42 C ATOM 1363 CD2 TYR A 98 -1.140 -10.584 -19.123 1.00 34.52 C ATOM 1364 CE1 TYR A 98 0.139 -12.857 -20.023 1.00 31.55 C ATOM 1365 CE2 TYR A 98 -0.408 -10.544 -20.293 1.00 40.53 C ATOM 1366 CZ TYR A 98 0.230 -11.682 -20.739 1.00 30.31 C ATOM 1367 OH TYR A 98 0.962 -11.645 -21.904 1.00 33.23 O ATOM 0 H TYR A 98 -4.228 -10.804 -17.703 1.00 65.11 H new ATOM 0 HA TYR A 98 -3.213 -13.363 -18.009 1.00 2.43 H new ATOM 0 HB2 TYR A 98 -2.317 -10.778 -16.819 1.00 33.34 H new ATOM 0 HB3 TYR A 98 -1.428 -12.198 -16.306 1.00 33.34 H new ATOM 0 HD1 TYR A 98 -0.667 -13.812 -18.296 1.00 10.42 H new ATOM 0 HD2 TYR A 98 -1.636 -9.690 -18.776 1.00 34.52 H new ATOM 0 HE1 TYR A 98 0.640 -13.747 -20.374 1.00 31.55 H new ATOM 0 HE2 TYR A 98 -0.335 -9.625 -20.856 1.00 40.53 H new ATOM 0 HH TYR A 98 0.924 -10.743 -22.286 1.00 33.23 H new ATOM 1377 N LEU A 99 -4.061 -12.666 -14.897 1.00 32.10 N ATOM 1378 CA LEU A 99 -4.336 -13.262 -13.594 1.00 62.11 C ATOM 1379 C LEU A 99 -5.243 -14.480 -13.733 1.00 34.21 C ATOM 1380 O LEU A 99 -4.995 -15.522 -13.128 1.00 34.43 O ATOM 1381 CB LEU A 99 -4.983 -12.232 -12.667 1.00 34.44 C ATOM 1382 CG LEU A 99 -5.044 -12.608 -11.185 1.00 51.45 C ATOM 1383 CD1 LEU A 99 -3.898 -11.960 -10.423 1.00 54.04 C ATOM 1384 CD2 LEU A 99 -6.383 -12.201 -10.587 1.00 3.13 C ATOM 0 H LEU A 99 -4.279 -11.672 -14.960 1.00 32.10 H new ATOM 0 HA LEU A 99 -3.389 -13.586 -13.162 1.00 62.11 H new ATOM 0 HB2 LEU A 99 -4.436 -11.294 -12.761 1.00 34.44 H new ATOM 0 HB3 LEU A 99 -5.999 -12.046 -13.016 1.00 34.44 H new ATOM 0 HG LEU A 99 -4.944 -13.690 -11.099 1.00 51.45 H new ATOM 0 HD11 LEU A 99 -3.957 -12.238 -9.371 1.00 54.04 H new ATOM 0 HD12 LEU A 99 -2.948 -12.301 -10.835 1.00 54.04 H new ATOM 0 HD13 LEU A 99 -3.966 -10.876 -10.516 1.00 54.04 H new ATOM 0 HD21 LEU A 99 -6.409 -12.476 -9.533 1.00 3.13 H new ATOM 0 HD22 LEU A 99 -6.512 -11.123 -10.684 1.00 3.13 H new ATOM 0 HD23 LEU A 99 -7.188 -12.712 -11.115 1.00 3.13 H new ATOM 1396 N GLU A 100 -6.294 -14.341 -14.536 1.00 0.35 N ATOM 1397 CA GLU A 100 -7.237 -15.431 -14.754 1.00 52.14 C ATOM 1398 C GLU A 100 -6.573 -16.582 -15.504 1.00 75.34 C ATOM 1399 O GLU A 100 -6.831 -17.752 -15.220 1.00 62.24 O ATOM 1400 CB GLU A 100 -8.454 -14.933 -15.537 1.00 13.44 C ATOM 1401 CG GLU A 100 -9.690 -15.798 -15.356 1.00 61.32 C ATOM 1402 CD GLU A 100 -10.555 -15.846 -16.600 1.00 73.44 C ATOM 1403 OE1 GLU A 100 -11.095 -16.931 -16.905 1.00 53.51 O ATOM 1404 OE2 GLU A 100 -10.692 -14.801 -17.269 1.00 53.03 O ATOM 0 H GLU A 100 -6.513 -13.485 -15.046 1.00 0.35 H new ATOM 0 HA GLU A 100 -7.564 -15.795 -13.780 1.00 52.14 H new ATOM 0 HB2 GLU A 100 -8.685 -13.915 -15.224 1.00 13.44 H new ATOM 0 HB3 GLU A 100 -8.202 -14.892 -16.597 1.00 13.44 H new ATOM 0 HG2 GLU A 100 -9.385 -16.810 -15.091 1.00 61.32 H new ATOM 0 HG3 GLU A 100 -10.279 -15.414 -14.523 1.00 61.32 H new ATOM 1411 N ARG A 101 -5.719 -16.241 -16.463 1.00 62.43 N ATOM 1412 CA ARG A 101 -5.019 -17.246 -17.256 1.00 13.43 C ATOM 1413 C ARG A 101 -4.185 -18.159 -16.362 1.00 51.23 C ATOM 1414 O ARG A 101 -4.345 -19.379 -16.382 1.00 21.55 O ATOM 1415 CB ARG A 101 -4.121 -16.571 -18.294 1.00 71.45 C ATOM 1416 CG ARG A 101 -4.891 -15.851 -19.389 1.00 43.51 C ATOM 1417 CD ARG A 101 -5.789 -16.805 -20.160 1.00 21.30 C ATOM 1418 NE ARG A 101 -6.290 -16.209 -21.395 1.00 40.51 N ATOM 1419 CZ ARG A 101 -7.310 -16.702 -22.089 1.00 10.35 C ATOM 1420 NH1 ARG A 101 -7.934 -17.794 -21.670 1.00 14.34 N ATOM 1421 NH2 ARG A 101 -7.708 -16.102 -23.203 1.00 42.13 N ATOM 0 H ARG A 101 -5.495 -15.277 -16.710 1.00 62.43 H new ATOM 0 HA ARG A 101 -5.765 -17.852 -17.770 1.00 13.43 H new ATOM 0 HB2 ARG A 101 -3.470 -15.857 -17.790 1.00 71.45 H new ATOM 0 HB3 ARG A 101 -3.477 -17.323 -18.749 1.00 71.45 H new ATOM 0 HG2 ARG A 101 -5.495 -15.057 -18.949 1.00 43.51 H new ATOM 0 HG3 ARG A 101 -4.190 -15.375 -20.075 1.00 43.51 H new ATOM 0 HD2 ARG A 101 -5.235 -17.714 -20.395 1.00 21.30 H new ATOM 0 HD3 ARG A 101 -6.630 -17.098 -19.532 1.00 21.30 H new ATOM 0 HE ARG A 101 -5.832 -15.367 -21.744 1.00 40.51 H new ATOM 0 HH11 ARG A 101 -7.631 -18.257 -20.813 1.00 14.34 H new ATOM 0 HH12 ARG A 101 -8.717 -18.171 -22.204 1.00 14.34 H new ATOM 0 HH21 ARG A 101 -7.231 -15.261 -23.528 1.00 42.13 H new ATOM 0 HH22 ARG A 101 -8.491 -16.482 -23.735 1.00 42.13 H new ATOM 1435 N LYS A 102 -3.294 -17.559 -15.580 1.00 61.30 N ATOM 1436 CA LYS A 102 -2.434 -18.317 -14.678 1.00 53.13 C ATOM 1437 C LYS A 102 -3.262 -19.061 -13.635 1.00 64.43 C ATOM 1438 O LYS A 102 -2.980 -20.216 -13.315 1.00 12.33 O ATOM 1439 CB LYS A 102 -1.440 -17.383 -13.984 1.00 63.55 C ATOM 1440 CG LYS A 102 -2.102 -16.260 -13.205 1.00 64.23 C ATOM 1441 CD LYS A 102 -1.075 -15.293 -12.640 1.00 42.04 C ATOM 1442 CE LYS A 102 -0.158 -15.976 -11.637 1.00 71.43 C ATOM 1443 NZ LYS A 102 -0.198 -15.311 -10.306 1.00 15.31 N ATOM 0 H LYS A 102 -3.148 -16.550 -15.552 1.00 61.30 H new ATOM 0 HA LYS A 102 -1.884 -19.049 -15.269 1.00 53.13 H new ATOM 0 HB2 LYS A 102 -0.818 -17.967 -13.305 1.00 63.55 H new ATOM 0 HB3 LYS A 102 -0.776 -16.952 -14.733 1.00 63.55 H new ATOM 0 HG2 LYS A 102 -2.791 -15.721 -13.856 1.00 64.23 H new ATOM 0 HG3 LYS A 102 -2.694 -16.680 -12.392 1.00 64.23 H new ATOM 0 HD2 LYS A 102 -0.480 -14.876 -13.453 1.00 42.04 H new ATOM 0 HD3 LYS A 102 -1.585 -14.459 -12.158 1.00 42.04 H new ATOM 0 HE2 LYS A 102 -0.451 -17.020 -11.530 1.00 71.43 H new ATOM 0 HE3 LYS A 102 0.864 -15.969 -12.016 1.00 71.43 H new ATOM 0 HZ1 LYS A 102 0.440 -15.806 -9.651 1.00 15.31 H new ATOM 0 HZ2 LYS A 102 0.106 -14.321 -10.403 1.00 15.31 H new ATOM 0 HZ3 LYS A 102 -1.168 -15.340 -9.932 1.00 15.31 H new ATOM 1457 N ALA A 103 -4.284 -18.393 -13.110 1.00 63.44 N ATOM 1458 CA ALA A 103 -5.154 -18.993 -12.107 1.00 24.44 C ATOM 1459 C ALA A 103 -5.746 -20.306 -12.608 1.00 14.03 C ATOM 1460 O ALA A 103 -5.771 -21.302 -11.885 1.00 53.41 O ATOM 1461 CB ALA A 103 -6.262 -18.025 -11.721 1.00 43.55 C ATOM 0 H ALA A 103 -4.529 -17.436 -13.363 1.00 63.44 H new ATOM 0 HA ALA A 103 -4.553 -19.210 -11.224 1.00 24.44 H new ATOM 0 HB1 ALA A 103 -6.904 -18.487 -10.971 1.00 43.55 H new ATOM 0 HB2 ALA A 103 -5.824 -17.115 -11.312 1.00 43.55 H new ATOM 0 HB3 ALA A 103 -6.854 -17.779 -12.603 1.00 43.55 H new ATOM 1467 N GLU A 104 -6.223 -20.299 -13.849 1.00 33.14 N ATOM 1468 CA GLU A 104 -6.817 -21.490 -14.445 1.00 14.05 C ATOM 1469 C GLU A 104 -5.749 -22.535 -14.752 1.00 71.23 C ATOM 1470 O GLU A 104 -5.977 -23.734 -14.598 1.00 35.41 O ATOM 1471 CB GLU A 104 -7.573 -21.124 -15.724 1.00 65.52 C ATOM 1472 CG GLU A 104 -8.400 -22.266 -16.290 1.00 21.51 C ATOM 1473 CD GLU A 104 -9.388 -21.805 -17.343 1.00 50.24 C ATOM 1474 OE1 GLU A 104 -10.065 -20.781 -17.113 1.00 31.03 O ATOM 1475 OE2 GLU A 104 -9.485 -22.467 -18.398 1.00 4.23 O ATOM 0 H GLU A 104 -6.210 -19.483 -14.460 1.00 33.14 H new ATOM 0 HA GLU A 104 -7.518 -21.914 -13.726 1.00 14.05 H new ATOM 0 HB2 GLU A 104 -8.229 -20.278 -15.519 1.00 65.52 H new ATOM 0 HB3 GLU A 104 -6.857 -20.796 -16.478 1.00 65.52 H new ATOM 0 HG2 GLU A 104 -7.734 -23.012 -16.724 1.00 21.51 H new ATOM 0 HG3 GLU A 104 -8.940 -22.755 -15.479 1.00 21.51 H new ATOM 1482 N GLU A 105 -4.583 -22.070 -15.189 1.00 22.11 N ATOM 1483 CA GLU A 105 -3.480 -22.965 -15.520 1.00 1.23 C ATOM 1484 C GLU A 105 -3.120 -23.849 -14.329 1.00 13.31 C ATOM 1485 O GLU A 105 -3.180 -25.076 -14.413 1.00 12.31 O ATOM 1486 CB GLU A 105 -2.255 -22.160 -15.960 1.00 12.25 C ATOM 1487 CG GLU A 105 -1.004 -23.004 -16.139 1.00 14.43 C ATOM 1488 CD GLU A 105 -0.002 -22.367 -17.082 1.00 24.55 C ATOM 1489 OE1 GLU A 105 0.553 -21.305 -16.729 1.00 34.35 O ATOM 1490 OE2 GLU A 105 0.229 -22.931 -18.172 1.00 12.13 O ATOM 0 H GLU A 105 -4.378 -21.080 -15.322 1.00 22.11 H new ATOM 0 HA GLU A 105 -3.800 -23.605 -16.342 1.00 1.23 H new ATOM 0 HB2 GLU A 105 -2.480 -21.656 -16.900 1.00 12.25 H new ATOM 0 HB3 GLU A 105 -2.057 -21.383 -15.221 1.00 12.25 H new ATOM 0 HG2 GLU A 105 -0.534 -23.162 -15.168 1.00 14.43 H new ATOM 0 HG3 GLU A 105 -1.284 -23.986 -16.521 1.00 14.43 H new ATOM 1497 N ILE A 106 -2.747 -23.216 -13.222 1.00 25.22 N ATOM 1498 CA ILE A 106 -2.378 -23.944 -12.014 1.00 61.21 C ATOM 1499 C ILE A 106 -3.516 -24.845 -11.546 1.00 62.35 C ATOM 1500 O ILE A 106 -3.284 -25.938 -11.030 1.00 63.03 O ATOM 1501 CB ILE A 106 -1.996 -22.984 -10.872 1.00 52.11 C ATOM 1502 CG1 ILE A 106 -1.614 -23.774 -9.619 1.00 2.43 C ATOM 1503 CG2 ILE A 106 -3.145 -22.032 -10.575 1.00 2.51 C ATOM 1504 CD1 ILE A 106 -0.785 -22.979 -8.633 1.00 74.34 C ATOM 0 H ILE A 106 -2.692 -22.201 -13.136 1.00 25.22 H new ATOM 0 HA ILE A 106 -1.513 -24.557 -12.267 1.00 61.21 H new ATOM 0 HB ILE A 106 -1.133 -22.395 -11.184 1.00 52.11 H new ATOM 0 HG12 ILE A 106 -2.523 -24.117 -9.124 1.00 2.43 H new ATOM 0 HG13 ILE A 106 -1.058 -24.663 -9.915 1.00 2.43 H new ATOM 0 HG21 ILE A 106 -2.860 -21.360 -9.766 1.00 2.51 H new ATOM 0 HG22 ILE A 106 -3.375 -21.449 -11.467 1.00 2.51 H new ATOM 0 HG23 ILE A 106 -4.024 -22.604 -10.279 1.00 2.51 H new ATOM 0 HD11 ILE A 106 -0.551 -23.601 -7.769 1.00 74.34 H new ATOM 0 HD12 ILE A 106 0.141 -22.659 -9.111 1.00 74.34 H new ATOM 0 HD13 ILE A 106 -1.347 -22.104 -8.308 1.00 74.34 H new ATOM 1516 N ALA A 107 -4.747 -24.380 -11.733 1.00 4.23 N ATOM 1517 CA ALA A 107 -5.921 -25.145 -11.334 1.00 32.13 C ATOM 1518 C ALA A 107 -6.027 -26.442 -12.128 1.00 72.33 C ATOM 1519 O ALA A 107 -6.282 -27.507 -11.566 1.00 12.33 O ATOM 1520 CB ALA A 107 -7.181 -24.310 -11.512 1.00 64.21 C ATOM 0 H ALA A 107 -4.957 -23.477 -12.158 1.00 4.23 H new ATOM 0 HA ALA A 107 -5.815 -25.403 -10.280 1.00 32.13 H new ATOM 0 HB1 ALA A 107 -8.050 -24.894 -11.210 1.00 64.21 H new ATOM 0 HB2 ALA A 107 -7.114 -23.414 -10.895 1.00 64.21 H new ATOM 0 HB3 ALA A 107 -7.282 -24.023 -12.559 1.00 64.21 H new ATOM 1526 N ALA A 108 -5.831 -26.346 -13.439 1.00 44.41 N ATOM 1527 CA ALA A 108 -5.903 -27.512 -14.310 1.00 41.14 C ATOM 1528 C ALA A 108 -4.828 -28.533 -13.952 1.00 15.25 C ATOM 1529 O ALA A 108 -5.083 -29.737 -13.934 1.00 64.43 O ATOM 1530 CB ALA A 108 -5.769 -27.092 -15.767 1.00 11.23 C ATOM 0 H ALA A 108 -5.621 -25.472 -13.921 1.00 44.41 H new ATOM 0 HA ALA A 108 -6.876 -27.982 -14.166 1.00 41.14 H new ATOM 0 HB1 ALA A 108 -5.825 -27.973 -16.406 1.00 11.23 H new ATOM 0 HB2 ALA A 108 -6.576 -26.406 -16.024 1.00 11.23 H new ATOM 0 HB3 ALA A 108 -4.810 -26.596 -15.916 1.00 11.23 H new ATOM 1536 N LYS A 109 -3.626 -28.044 -13.666 1.00 34.11 N ATOM 1537 CA LYS A 109 -2.512 -28.913 -13.307 1.00 32.24 C ATOM 1538 C LYS A 109 -2.757 -29.582 -11.958 1.00 2.14 C ATOM 1539 O LYS A 109 -2.718 -30.807 -11.844 1.00 72.32 O ATOM 1540 CB LYS A 109 -1.208 -28.113 -13.262 1.00 73.22 C ATOM 1541 CG LYS A 109 -0.627 -27.820 -14.635 1.00 33.53 C ATOM 1542 CD LYS A 109 0.821 -28.270 -14.735 1.00 12.34 C ATOM 1543 CE LYS A 109 0.932 -29.786 -14.782 1.00 40.13 C ATOM 1544 NZ LYS A 109 2.051 -30.287 -13.936 1.00 55.23 N ATOM 0 H LYS A 109 -3.399 -27.050 -13.676 1.00 34.11 H new ATOM 0 HA LYS A 109 -2.429 -29.689 -14.068 1.00 32.24 H new ATOM 0 HB2 LYS A 109 -1.387 -27.171 -12.744 1.00 73.22 H new ATOM 0 HB3 LYS A 109 -0.473 -28.665 -12.676 1.00 73.22 H new ATOM 0 HG2 LYS A 109 -1.220 -28.326 -15.397 1.00 33.53 H new ATOM 0 HG3 LYS A 109 -0.692 -26.751 -14.838 1.00 33.53 H new ATOM 0 HD2 LYS A 109 1.275 -27.843 -15.629 1.00 12.34 H new ATOM 0 HD3 LYS A 109 1.381 -27.890 -13.881 1.00 12.34 H new ATOM 0 HE2 LYS A 109 -0.005 -30.229 -14.445 1.00 40.13 H new ATOM 0 HE3 LYS A 109 1.084 -30.107 -15.812 1.00 40.13 H new ATOM 0 HZ1 LYS A 109 2.093 -31.324 -13.995 1.00 55.23 H new ATOM 0 HZ2 LYS A 109 2.949 -29.884 -14.273 1.00 55.23 H new ATOM 0 HZ3 LYS A 109 1.894 -30.003 -12.948 1.00 55.23 H new ATOM 1558 N LYS A 110 -3.010 -28.770 -10.937 1.00 50.40 N ATOM 1559 CA LYS A 110 -3.264 -29.282 -9.596 1.00 11.23 C ATOM 1560 C LYS A 110 -4.737 -29.637 -9.419 1.00 21.01 C ATOM 1561 O LYS A 110 -5.252 -30.539 -10.081 1.00 1.52 O ATOM 1562 CB LYS A 110 -2.848 -28.249 -8.546 1.00 20.01 C ATOM 1563 CG LYS A 110 -1.716 -28.717 -7.647 1.00 52.05 C ATOM 1564 CD LYS A 110 -1.006 -27.546 -6.989 1.00 50.14 C ATOM 1565 CE LYS A 110 0.217 -27.117 -7.786 1.00 14.41 C ATOM 1566 NZ LYS A 110 1.485 -27.484 -7.097 1.00 14.13 N ATOM 0 H LYS A 110 -3.045 -27.753 -11.013 1.00 50.40 H new ATOM 0 HA LYS A 110 -2.671 -30.187 -9.462 1.00 11.23 H new ATOM 0 HB2 LYS A 110 -2.544 -27.332 -9.051 1.00 20.01 H new ATOM 0 HB3 LYS A 110 -3.712 -28.002 -7.929 1.00 20.01 H new ATOM 0 HG2 LYS A 110 -2.111 -29.382 -6.879 1.00 52.05 H new ATOM 0 HG3 LYS A 110 -1.001 -29.295 -8.232 1.00 52.05 H new ATOM 0 HD2 LYS A 110 -1.695 -26.706 -6.897 1.00 50.14 H new ATOM 0 HD3 LYS A 110 -0.705 -27.823 -5.979 1.00 50.14 H new ATOM 0 HE2 LYS A 110 0.191 -27.584 -8.771 1.00 14.41 H new ATOM 0 HE3 LYS A 110 0.188 -26.039 -7.943 1.00 14.41 H new ATOM 0 HZ1 LYS A 110 2.295 -27.175 -7.672 1.00 14.13 H new ATOM 0 HZ2 LYS A 110 1.522 -27.019 -6.168 1.00 14.13 H new ATOM 0 HZ3 LYS A 110 1.525 -28.515 -6.970 1.00 14.13 H new TER 1580 LYS A 110