USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 11 SER OG : rot -90:sc= 1.29 USER MOD Set 1.2: A 21 ASN : amide:sc= 0.725 K(o=2,f=1.2) USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.419 (180deg=-0.924) USER MOD Single : A 2 GLN :FLIP amide:sc= -2.85! C(o=-6.1!,f=-2.9!) USER MOD Single : A 4 THR OG1 : rot 16:sc= 0.726! USER MOD Single : A 6 LYS NZ :NH3+ 171:sc=-0.00911 (180deg=-0.113) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0544 F(o=-2.5!,f=-0.054) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.515 X(o=-0.51,f=-0.15) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= -0.0532 (180deg=-0.299) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.596 K(o=-0.6,f=-2.5) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 150:sc= -0.149 USER MOD Single : A 31 HIS : no HD1:sc= -0.258 K(o=-0.26,f=-1.1) USER MOD Single : A 33 SER OG : rot -82:sc= 0.0466 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.0573 X(o=0.057,f=-0.07) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.017) USER MOD Single : A 52 SER OG : rot 140:sc= 0.04 USER MOD Single : A 55 SER OG : rot 59:sc= 1.39 USER MOD Single : A 57 SER OG : rot -123:sc= 0.498 USER MOD Single : A 58 LYS NZ :NH3+ -153:sc= -0.156 (180deg=-0.817) USER MOD Single : A 61 SER OG : rot 110:sc= 0.758 USER MOD Single : A 63 TYR OH : rot -166:sc= 0.814 USER MOD Single : A 66 TYR OH : rot 46:sc= 1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -90:sc= 0.00717 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.1) USER MOD Single : A 84 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-6.8!) USER MOD Single : A 86 THR OG1 : rot 90:sc= -1.94! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -156:sc= -0.238 (180deg=-0.939) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -22.677 -7.295 -4.578 1.00 0.00 N ATOM 2 CA ILE A 1 -21.560 -8.264 -4.661 1.00 0.00 C ATOM 3 C ILE A 1 -20.220 -7.601 -4.357 1.00 0.00 C ATOM 4 O ILE A 1 -19.163 -8.196 -4.585 1.00 0.00 O ATOM 5 CB ILE A 1 -21.510 -8.974 -6.038 1.00 0.00 C ATOM 6 CG1 ILE A 1 -21.730 -7.993 -7.201 1.00 0.00 C ATOM 7 CG2 ILE A 1 -22.536 -10.092 -6.086 1.00 0.00 C ATOM 8 CD1 ILE A 1 -20.516 -7.163 -7.553 1.00 0.00 C ATOM 0 H1 ILE A 1 -23.536 -7.720 -4.983 1.00 0.00 H new ATOM 0 H2 ILE A 1 -22.849 -7.048 -3.583 1.00 0.00 H new ATOM 0 H3 ILE A 1 -22.432 -6.436 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 1 -21.748 -9.022 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 1 -20.512 -9.396 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -22.039 -8.556 -8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -22.552 -7.324 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -22.493 -10.584 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -22.320 -10.818 -5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -23.533 -9.678 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -20.758 -6.499 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -20.217 -6.570 -6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -19.697 -7.821 -7.842 1.00 0.00 H new ATOM 19 N GLN A 2 -20.278 -6.360 -3.859 1.00 0.00 N ATOM 20 CA GLN A 2 -19.099 -5.637 -3.392 1.00 0.00 C ATOM 21 C GLN A 2 -18.196 -5.250 -4.575 1.00 0.00 C ATOM 22 O GLN A 2 -18.476 -5.585 -5.727 1.00 0.00 O ATOM 23 CB GLN A 2 -18.325 -6.503 -2.378 1.00 0.00 C ATOM 24 CG GLN A 2 -17.570 -5.729 -1.301 1.00 0.00 C ATOM 25 CD GLN A 2 -18.468 -5.239 -0.172 1.00 0.00 C ATOM 26 OE1 GLN A 2 -19.702 -4.884 -0.487 1.00 0.00 O flip ATOM 27 NE2 GLN A 2 -18.046 -5.171 0.980 1.00 0.00 N flip ATOM 0 H GLN A 2 -21.146 -5.832 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 2 -19.420 -4.719 -2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -19.028 -7.179 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -17.613 -7.123 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -16.789 -6.366 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -17.073 -4.873 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.088 -5.453 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.653 -4.833 1.726 1.00 0.00 H new ATOM 36 N ARG A 3 -17.132 -4.517 -4.288 1.00 0.00 N ATOM 37 CA ARG A 3 -16.167 -4.128 -5.315 1.00 0.00 C ATOM 38 C ARG A 3 -14.754 -4.515 -4.896 1.00 0.00 C ATOM 39 O ARG A 3 -14.383 -4.355 -3.734 1.00 0.00 O ATOM 40 CB ARG A 3 -16.270 -2.624 -5.618 1.00 0.00 C ATOM 41 CG ARG A 3 -15.013 -2.021 -6.250 1.00 0.00 C ATOM 42 CD ARG A 3 -15.327 -0.782 -7.082 1.00 0.00 C ATOM 43 NE ARG A 3 -16.154 0.187 -6.360 1.00 0.00 N ATOM 44 CZ ARG A 3 -15.831 1.471 -6.206 1.00 0.00 C ATOM 45 NH1 ARG A 3 -14.699 1.941 -6.720 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.650 2.289 -5.555 1.00 0.00 N ATOM 0 H ARG A 3 -16.911 -4.177 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.402 -4.667 -6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.114 -2.457 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.487 -2.093 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.303 -1.760 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.531 -2.768 -6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.394 -0.305 -7.383 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.840 -1.083 -7.995 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.029 -0.140 -5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.075 1.319 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.454 2.924 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.527 1.935 -5.173 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.402 3.271 -5.437 1.00 0.00 H new ATOM 60 N THR A 4 -13.981 -5.039 -5.848 1.00 0.00 N ATOM 61 CA THR A 4 -12.636 -5.519 -5.565 1.00 0.00 C ATOM 62 C THR A 4 -11.682 -4.342 -5.377 1.00 0.00 C ATOM 63 O THR A 4 -11.536 -3.514 -6.281 1.00 0.00 O ATOM 64 CB THR A 4 -12.091 -6.418 -6.705 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.814 -5.631 -7.870 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.080 -7.506 -7.083 1.00 0.00 C ATOM 0 H THR A 4 -14.268 -5.140 -6.822 1.00 0.00 H new ATOM 0 HA THR A 4 -12.695 -6.110 -4.651 1.00 0.00 H new ATOM 0 HB THR A 4 -11.177 -6.883 -6.336 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.777 -4.683 -7.623 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.662 -8.115 -7.885 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.278 -8.135 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.011 -7.050 -7.421 1.00 0.00 H new ATOM 74 N PRO A 5 -11.040 -4.225 -4.207 1.00 0.00 N ATOM 75 CA PRO A 5 -10.051 -3.185 -3.976 1.00 0.00 C ATOM 76 C PRO A 5 -8.776 -3.453 -4.765 1.00 0.00 C ATOM 77 O PRO A 5 -8.221 -4.554 -4.724 1.00 0.00 O ATOM 78 CB PRO A 5 -9.790 -3.220 -2.463 1.00 0.00 C ATOM 79 CG PRO A 5 -10.770 -4.199 -1.891 1.00 0.00 C ATOM 80 CD PRO A 5 -11.235 -5.073 -3.028 1.00 0.00 C ATOM 0 HA PRO A 5 -10.401 -2.207 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.766 -3.527 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -9.924 -2.232 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.304 -4.799 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.612 -3.679 -1.435 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.653 -5.992 -3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.279 -5.365 -2.910 1.00 0.00 H new ATOM 88 N LYS A 6 -8.324 -2.444 -5.488 1.00 0.00 N ATOM 89 CA LYS A 6 -7.188 -2.591 -6.376 1.00 0.00 C ATOM 90 C LYS A 6 -5.937 -2.041 -5.709 1.00 0.00 C ATOM 91 O LYS A 6 -6.011 -1.096 -4.922 1.00 0.00 O ATOM 92 CB LYS A 6 -7.460 -1.856 -7.693 1.00 0.00 C ATOM 93 CG LYS A 6 -6.342 -1.980 -8.714 1.00 0.00 C ATOM 94 CD LYS A 6 -6.616 -1.131 -9.946 1.00 0.00 C ATOM 95 CE LYS A 6 -5.486 -1.236 -10.957 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.359 -2.609 -11.510 1.00 0.00 N ATOM 0 H LYS A 6 -8.730 -1.509 -5.476 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.033 -3.648 -6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.381 -2.243 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.628 -0.800 -7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.399 -1.673 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.230 -3.024 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.550 -1.450 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.746 -0.090 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.661 -0.532 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.548 -0.948 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.684 -2.604 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.017 -3.252 -10.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.287 -2.934 -11.849 1.00 0.00 H new ATOM 110 N ILE A 7 -4.797 -2.628 -6.030 1.00 0.00 N ATOM 111 CA ILE A 7 -3.554 -2.290 -5.361 1.00 0.00 C ATOM 112 C ILE A 7 -2.832 -1.168 -6.073 1.00 0.00 C ATOM 113 O ILE A 7 -2.617 -1.219 -7.285 1.00 0.00 O ATOM 114 CB ILE A 7 -2.599 -3.495 -5.287 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.374 -4.763 -4.941 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.505 -3.241 -4.256 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.181 -4.640 -3.677 1.00 0.00 C ATOM 0 H ILE A 7 -4.707 -3.343 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.829 -1.978 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.131 -3.630 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.041 -5.010 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.674 -5.592 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.837 -4.101 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.937 -2.354 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.957 -3.085 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.707 -5.576 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.516 -4.423 -2.841 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.905 -3.832 -3.785 1.00 0.00 H new ATOM 129 N GLN A 8 -2.465 -0.159 -5.314 1.00 0.00 N ATOM 130 CA GLN A 8 -1.619 0.900 -5.811 1.00 0.00 C ATOM 131 C GLN A 8 -0.519 1.177 -4.804 1.00 0.00 C ATOM 132 O GLN A 8 -0.794 1.548 -3.667 1.00 0.00 O ATOM 133 CB GLN A 8 -2.431 2.167 -6.040 1.00 0.00 C ATOM 134 CG GLN A 8 -3.391 2.091 -7.214 1.00 0.00 C ATOM 135 CD GLN A 8 -4.294 3.305 -7.299 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.628 3.878 -6.151 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -4.699 3.718 -8.383 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.744 -0.051 -4.339 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.183 0.589 -6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.998 2.389 -5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.746 3.000 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.823 1.998 -8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.002 1.193 -7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.419 3.249 -9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.315 4.530 -8.421 1.00 0.00 H new ATOM 146 N VAL A 9 0.714 0.986 -5.215 1.00 0.00 N ATOM 147 CA VAL A 9 1.846 1.261 -4.355 1.00 0.00 C ATOM 148 C VAL A 9 2.904 2.036 -5.123 1.00 0.00 C ATOM 149 O VAL A 9 3.385 1.601 -6.169 1.00 0.00 O ATOM 150 CB VAL A 9 2.434 -0.039 -3.729 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.511 -1.167 -4.745 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.802 0.219 -3.113 1.00 0.00 C ATOM 0 H VAL A 9 0.961 0.640 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 9 1.498 1.874 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 9 1.753 -0.351 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.926 -2.056 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.512 -1.388 -5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.151 -0.866 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.188 -0.706 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.486 0.575 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.712 0.973 -2.331 1.00 0.00 H new ATOM 162 N TYR A 10 3.237 3.205 -4.605 1.00 0.00 N ATOM 163 CA TYR A 10 4.191 4.095 -5.251 1.00 0.00 C ATOM 164 C TYR A 10 5.090 4.681 -4.182 1.00 0.00 C ATOM 165 O TYR A 10 4.789 4.586 -2.994 1.00 0.00 O ATOM 166 CB TYR A 10 3.505 5.268 -5.991 1.00 0.00 C ATOM 167 CG TYR A 10 2.275 4.918 -6.809 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.017 5.378 -6.426 1.00 0.00 C ATOM 169 CD2 TYR A 10 2.371 4.171 -7.978 1.00 0.00 C ATOM 170 CE1 TYR A 10 -0.103 5.102 -7.179 1.00 0.00 C ATOM 171 CE2 TYR A 10 1.249 3.886 -8.734 1.00 0.00 C ATOM 172 CZ TYR A 10 0.014 4.355 -8.331 1.00 0.00 C ATOM 173 OH TYR A 10 -1.103 4.084 -9.084 1.00 0.00 O ATOM 0 H TYR A 10 2.857 3.565 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 10 4.744 3.511 -5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.223 6.020 -5.254 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.237 5.730 -6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.918 5.961 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.336 3.808 -8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.069 5.470 -6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.338 3.299 -9.636 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.849 3.548 -9.864 1.00 0.00 H new ATOM 183 N SER A 11 6.193 5.273 -4.586 1.00 0.00 N ATOM 184 CA SER A 11 6.995 6.037 -3.661 1.00 0.00 C ATOM 185 C SER A 11 6.522 7.485 -3.689 1.00 0.00 C ATOM 186 O SER A 11 6.185 7.997 -4.758 1.00 0.00 O ATOM 187 CB SER A 11 8.477 5.931 -4.034 1.00 0.00 C ATOM 188 OG SER A 11 9.294 6.655 -3.130 1.00 0.00 O ATOM 0 H SER A 11 6.551 5.240 -5.541 1.00 0.00 H new ATOM 0 HA SER A 11 6.882 5.643 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.778 4.883 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.627 6.310 -5.045 1.00 0.00 H new ATOM 0 HG SER A 11 9.409 7.572 -3.456 1.00 0.00 H new ATOM 194 N ARG A 12 6.459 8.121 -2.521 1.00 0.00 N ATOM 195 CA ARG A 12 5.991 9.518 -2.423 1.00 0.00 C ATOM 196 C ARG A 12 6.759 10.405 -3.411 1.00 0.00 C ATOM 197 O ARG A 12 6.172 11.232 -4.109 1.00 0.00 O ATOM 198 CB ARG A 12 6.179 10.016 -0.968 1.00 0.00 C ATOM 199 CG ARG A 12 5.517 11.353 -0.604 1.00 0.00 C ATOM 200 CD ARG A 12 6.228 12.540 -1.236 1.00 0.00 C ATOM 201 NE ARG A 12 7.645 12.591 -0.875 1.00 0.00 N ATOM 202 CZ ARG A 12 8.145 13.337 0.112 1.00 0.00 C ATOM 203 NH1 ARG A 12 7.344 14.058 0.883 1.00 0.00 N ATOM 204 NH2 ARG A 12 9.457 13.357 0.320 1.00 0.00 N ATOM 0 H ARG A 12 6.723 7.702 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 12 4.933 9.570 -2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.793 9.251 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.248 10.102 -0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.476 11.341 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.512 11.470 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.133 12.483 -2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.741 13.463 -0.921 1.00 0.00 H new ATOM 0 HE ARG A 12 8.294 12.018 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.336 14.046 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.735 14.625 1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.076 12.804 -0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.845 13.925 1.073 1.00 0.00 H new ATOM 218 N HIS A 13 8.062 10.185 -3.477 1.00 0.00 N ATOM 219 CA HIS A 13 8.947 10.917 -4.382 1.00 0.00 C ATOM 220 C HIS A 13 9.967 9.936 -4.980 1.00 0.00 C ATOM 221 O HIS A 13 9.912 8.756 -4.633 1.00 0.00 O ATOM 222 CB HIS A 13 9.653 12.065 -3.639 1.00 0.00 C ATOM 223 CG HIS A 13 8.921 13.375 -3.706 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.351 14.469 -2.998 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.812 13.715 -4.412 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.505 15.443 -3.288 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.557 15.032 -4.140 1.00 0.00 N ATOM 0 H HIS A 13 8.542 9.491 -2.904 1.00 0.00 H new ATOM 0 HA HIS A 13 8.362 11.361 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.780 11.784 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.651 12.196 -4.057 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.241 13.070 -5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.570 16.444 -2.888 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.792 15.593 -4.514 1.00 0.00 H new ATOM 235 N PRO A 14 10.900 10.374 -5.873 1.00 0.00 N ATOM 236 CA PRO A 14 11.897 9.472 -6.478 1.00 0.00 C ATOM 237 C PRO A 14 12.559 8.550 -5.451 1.00 0.00 C ATOM 238 O PRO A 14 12.756 8.923 -4.292 1.00 0.00 O ATOM 239 CB PRO A 14 12.946 10.414 -7.097 1.00 0.00 C ATOM 240 CG PRO A 14 12.536 11.815 -6.712 1.00 0.00 C ATOM 241 CD PRO A 14 11.065 11.747 -6.379 1.00 0.00 C ATOM 0 HA PRO A 14 11.429 8.808 -7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.944 10.184 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.978 10.302 -8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.113 12.168 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.718 12.512 -7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.787 12.489 -5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.444 11.931 -7.256 1.00 0.00 H new ATOM 249 N ALA A 15 12.896 7.348 -5.889 1.00 0.00 N ATOM 250 CA ALA A 15 13.472 6.342 -5.016 1.00 0.00 C ATOM 251 C ALA A 15 14.986 6.434 -5.038 1.00 0.00 C ATOM 252 O ALA A 15 15.603 6.410 -6.105 1.00 0.00 O ATOM 253 CB ALA A 15 13.027 4.953 -5.450 1.00 0.00 C ATOM 0 H ALA A 15 12.778 7.044 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 15 13.124 6.521 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.466 4.207 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.940 4.887 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.356 4.768 -6.473 1.00 0.00 H new ATOM 259 N GLU A 16 15.585 6.567 -3.871 1.00 0.00 N ATOM 260 CA GLU A 16 17.021 6.625 -3.765 1.00 0.00 C ATOM 261 C GLU A 16 17.530 5.460 -2.925 1.00 0.00 C ATOM 262 O GLU A 16 17.208 5.349 -1.742 1.00 0.00 O ATOM 263 CB GLU A 16 17.433 7.957 -3.150 1.00 0.00 C ATOM 264 CG GLU A 16 18.800 8.410 -3.611 1.00 0.00 C ATOM 265 CD GLU A 16 18.836 8.669 -5.098 1.00 0.00 C ATOM 266 OE1 GLU A 16 18.544 9.809 -5.508 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.141 7.736 -5.867 1.00 0.00 O ATOM 0 H GLU A 16 15.092 6.637 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 16 17.463 6.547 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.696 8.717 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.431 7.868 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.080 9.318 -3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.539 7.650 -3.357 1.00 0.00 H new ATOM 274 N ASN A 17 18.317 4.594 -3.541 1.00 0.00 N ATOM 275 CA ASN A 17 18.787 3.386 -2.868 1.00 0.00 C ATOM 276 C ASN A 17 19.967 3.729 -1.968 1.00 0.00 C ATOM 277 O ASN A 17 20.966 4.298 -2.413 1.00 0.00 O ATOM 278 CB ASN A 17 19.182 2.246 -3.845 1.00 0.00 C ATOM 279 CG ASN A 17 18.051 1.691 -4.730 1.00 0.00 C ATOM 280 OD1 ASN A 17 16.868 1.882 -4.451 1.00 0.00 O ATOM 281 ND2 ASN A 17 18.435 0.937 -5.780 1.00 0.00 N ATOM 0 H ASN A 17 18.645 4.700 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 17 17.951 3.010 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.978 2.611 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.597 1.423 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.733 0.500 -6.378 1.00 0.00 H new ATOM 0 HD22 ASN A 17 19.427 0.804 -5.977 1.00 0.00 H new ATOM 288 N GLY A 18 19.834 3.388 -0.694 1.00 0.00 N ATOM 289 CA GLY A 18 20.820 3.758 0.296 1.00 0.00 C ATOM 290 C GLY A 18 20.519 5.127 0.846 1.00 0.00 C ATOM 291 O GLY A 18 21.417 5.867 1.254 1.00 0.00 O ATOM 0 H GLY A 18 19.047 2.853 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.826 3.027 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.815 3.748 -0.150 1.00 0.00 H new ATOM 295 N LYS A 19 19.241 5.467 0.835 1.00 0.00 N ATOM 296 CA LYS A 19 18.790 6.785 1.224 1.00 0.00 C ATOM 297 C LYS A 19 17.368 6.712 1.756 1.00 0.00 C ATOM 298 O LYS A 19 16.612 5.807 1.411 1.00 0.00 O ATOM 299 CB LYS A 19 18.856 7.697 0.008 1.00 0.00 C ATOM 300 CG LYS A 19 18.640 9.161 0.324 1.00 0.00 C ATOM 301 CD LYS A 19 19.633 9.677 1.331 1.00 0.00 C ATOM 302 CE LYS A 19 19.382 11.138 1.689 1.00 0.00 C ATOM 303 NZ LYS A 19 19.260 12.001 0.485 1.00 0.00 N ATOM 0 H LYS A 19 18.491 4.835 0.556 1.00 0.00 H new ATOM 0 HA LYS A 19 19.428 7.181 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.829 7.579 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.105 7.377 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.719 9.745 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.629 9.303 0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.582 9.069 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.642 9.570 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.470 11.213 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.198 11.502 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.294 13.001 0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.044 11.800 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.356 11.807 0.009 1.00 0.00 H new ATOM 317 N SER A 20 17.032 7.656 2.612 1.00 0.00 N ATOM 318 CA SER A 20 15.710 7.725 3.203 1.00 0.00 C ATOM 319 C SER A 20 14.661 8.137 2.178 1.00 0.00 C ATOM 320 O SER A 20 14.902 9.006 1.339 1.00 0.00 O ATOM 321 CB SER A 20 15.725 8.718 4.351 1.00 0.00 C ATOM 322 OG SER A 20 16.571 8.270 5.392 1.00 0.00 O ATOM 0 H SER A 20 17.665 8.395 2.917 1.00 0.00 H new ATOM 0 HA SER A 20 15.446 6.733 3.570 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.065 9.690 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.713 8.855 4.732 1.00 0.00 H new ATOM 0 HG SER A 20 16.568 8.925 6.121 1.00 0.00 H new ATOM 328 N ASN A 21 13.494 7.516 2.268 1.00 0.00 N ATOM 329 CA ASN A 21 12.395 7.782 1.349 1.00 0.00 C ATOM 330 C ASN A 21 11.076 7.502 2.062 1.00 0.00 C ATOM 331 O ASN A 21 11.075 6.971 3.175 1.00 0.00 O ATOM 332 CB ASN A 21 12.523 6.896 0.097 1.00 0.00 C ATOM 333 CG ASN A 21 12.693 7.695 -1.181 1.00 0.00 C ATOM 334 OD1 ASN A 21 13.808 8.061 -1.553 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.598 7.942 -1.887 1.00 0.00 N ATOM 0 H ASN A 21 13.282 6.815 2.978 1.00 0.00 H new ATOM 0 HA ASN A 21 12.425 8.825 1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.376 6.228 0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.636 6.268 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.664 8.450 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.690 7.624 -1.548 1.00 0.00 H new ATOM 342 N PHE A 22 9.958 7.856 1.440 1.00 0.00 N ATOM 343 CA PHE A 22 8.648 7.614 2.039 1.00 0.00 C ATOM 344 C PHE A 22 7.798 6.761 1.099 1.00 0.00 C ATOM 345 O PHE A 22 7.687 7.064 -0.093 1.00 0.00 O ATOM 346 CB PHE A 22 7.929 8.937 2.334 1.00 0.00 C ATOM 347 CG PHE A 22 8.522 9.753 3.452 1.00 0.00 C ATOM 348 CD1 PHE A 22 9.792 10.300 3.345 1.00 0.00 C ATOM 349 CD2 PHE A 22 7.793 9.987 4.605 1.00 0.00 C ATOM 350 CE1 PHE A 22 10.323 11.058 4.371 1.00 0.00 C ATOM 351 CE2 PHE A 22 8.317 10.745 5.632 1.00 0.00 C ATOM 352 CZ PHE A 22 9.582 11.281 5.515 1.00 0.00 C ATOM 0 H PHE A 22 9.930 8.309 0.527 1.00 0.00 H new ATOM 0 HA PHE A 22 8.793 7.084 2.980 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.926 9.541 1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.888 8.721 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.372 10.132 2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.801 9.571 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.315 11.475 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.737 10.918 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.993 11.875 6.318 1.00 0.00 H new ATOM 362 N LEU A 23 7.206 5.698 1.635 1.00 0.00 N ATOM 363 CA LEU A 23 6.405 4.771 0.838 1.00 0.00 C ATOM 364 C LEU A 23 4.958 5.235 0.803 1.00 0.00 C ATOM 365 O LEU A 23 4.533 6.020 1.647 1.00 0.00 O ATOM 366 CB LEU A 23 6.471 3.371 1.450 1.00 0.00 C ATOM 367 CG LEU A 23 6.836 2.209 0.504 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.801 0.888 1.262 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.904 2.138 -0.700 1.00 0.00 C ATOM 0 H LEU A 23 7.266 5.455 2.624 1.00 0.00 H new ATOM 0 HA LEU A 23 6.802 4.744 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.200 3.390 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.502 3.151 1.898 1.00 0.00 H new ATOM 0 HG LEU A 23 7.844 2.394 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.060 0.073 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.518 0.920 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.800 0.724 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.198 1.305 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.879 1.990 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.967 3.068 -1.264 1.00 0.00 H new ATOM 381 N ASN A 24 4.218 4.761 -0.182 1.00 0.00 N ATOM 382 CA ASN A 24 2.798 5.068 -0.300 1.00 0.00 C ATOM 383 C ASN A 24 2.026 3.864 -0.829 1.00 0.00 C ATOM 384 O ASN A 24 2.376 3.296 -1.865 1.00 0.00 O ATOM 385 CB ASN A 24 2.598 6.295 -1.211 1.00 0.00 C ATOM 386 CG ASN A 24 1.176 6.467 -1.726 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.206 6.121 -1.063 1.00 0.00 O ATOM 388 ND2 ASN A 24 1.049 7.013 -2.928 1.00 0.00 N ATOM 0 H ASN A 24 4.578 4.156 -0.920 1.00 0.00 H new ATOM 0 HA ASN A 24 2.407 5.304 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.884 7.192 -0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.273 6.215 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.122 7.156 -3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.879 7.290 -3.453 1.00 0.00 H new ATOM 395 N CYS A 25 0.982 3.482 -0.113 1.00 0.00 N ATOM 396 CA CYS A 25 0.113 2.403 -0.543 1.00 0.00 C ATOM 397 C CYS A 25 -1.334 2.889 -0.505 1.00 0.00 C ATOM 398 O CYS A 25 -1.863 3.234 0.555 1.00 0.00 O ATOM 399 CB CYS A 25 0.312 1.182 0.353 1.00 0.00 C ATOM 400 SG CYS A 25 -0.083 -0.407 -0.444 1.00 0.00 S ATOM 0 H CYS A 25 0.716 3.908 0.775 1.00 0.00 H new ATOM 0 HA CYS A 25 0.358 2.108 -1.563 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.349 1.158 0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.309 1.293 1.242 1.00 0.00 H new ATOM 405 N TYR A 26 -1.969 2.893 -1.666 1.00 0.00 N ATOM 406 CA TYR A 26 -3.287 3.485 -1.833 1.00 0.00 C ATOM 407 C TYR A 26 -4.267 2.411 -2.269 1.00 0.00 C ATOM 408 O TYR A 26 -4.299 2.031 -3.441 1.00 0.00 O ATOM 409 CB TYR A 26 -3.235 4.583 -2.910 1.00 0.00 C ATOM 410 CG TYR A 26 -3.504 6.008 -2.441 1.00 0.00 C ATOM 411 CD1 TYR A 26 -4.751 6.392 -1.946 1.00 0.00 C ATOM 412 CD2 TYR A 26 -2.520 6.989 -2.552 1.00 0.00 C ATOM 413 CE1 TYR A 26 -4.998 7.702 -1.572 1.00 0.00 C ATOM 414 CE2 TYR A 26 -2.764 8.297 -2.171 1.00 0.00 C ATOM 415 CZ TYR A 26 -4.003 8.646 -1.685 1.00 0.00 C ATOM 416 OH TYR A 26 -4.251 9.946 -1.308 1.00 0.00 O ATOM 0 H TYR A 26 -1.586 2.486 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.606 3.920 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.250 4.557 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.961 4.336 -3.685 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.536 5.656 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.549 6.723 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.969 7.982 -1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.985 9.041 -2.255 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.446 10.487 -1.449 1.00 0.00 H new ATOM 426 N VAL A 27 -5.061 1.914 -1.341 1.00 0.00 N ATOM 427 CA VAL A 27 -6.046 0.906 -1.677 1.00 0.00 C ATOM 428 C VAL A 27 -7.436 1.530 -1.657 1.00 0.00 C ATOM 429 O VAL A 27 -7.865 2.071 -0.637 1.00 0.00 O ATOM 430 CB VAL A 27 -6.006 -0.302 -0.716 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.659 -1.505 -1.368 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.584 -0.637 -0.294 1.00 0.00 C ATOM 0 H VAL A 27 -5.044 2.188 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.809 0.535 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.561 -0.034 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.626 -2.352 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.697 -1.271 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.124 -1.758 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.597 -1.492 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.991 -0.880 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.144 0.221 0.215 1.00 0.00 H new ATOM 442 N SER A 28 -8.119 1.493 -2.791 1.00 0.00 N ATOM 443 CA SER A 28 -9.442 2.089 -2.902 1.00 0.00 C ATOM 444 C SER A 28 -10.322 1.292 -3.860 1.00 0.00 C ATOM 445 O SER A 28 -9.826 0.479 -4.648 1.00 0.00 O ATOM 446 CB SER A 28 -9.328 3.546 -3.354 1.00 0.00 C ATOM 447 OG SER A 28 -8.649 4.323 -2.382 1.00 0.00 O ATOM 0 H SER A 28 -7.779 1.056 -3.648 1.00 0.00 H new ATOM 0 HA SER A 28 -9.914 2.065 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.795 3.596 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.323 3.957 -3.525 1.00 0.00 H new ATOM 0 HG SER A 28 -8.170 5.055 -2.824 1.00 0.00 H new ATOM 453 N GLY A 29 -11.627 1.526 -3.781 1.00 0.00 N ATOM 454 CA GLY A 29 -12.572 0.761 -4.563 1.00 0.00 C ATOM 455 C GLY A 29 -12.983 -0.491 -3.828 1.00 0.00 C ATOM 456 O GLY A 29 -12.373 -1.534 -4.007 1.00 0.00 O ATOM 0 H GLY A 29 -12.047 2.238 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.451 1.369 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.127 0.496 -5.522 1.00 0.00 H new ATOM 460 N PHE A 30 -14.055 -0.391 -3.047 1.00 0.00 N ATOM 461 CA PHE A 30 -14.389 -1.441 -2.080 1.00 0.00 C ATOM 462 C PHE A 30 -15.551 -0.993 -1.205 1.00 0.00 C ATOM 463 O PHE A 30 -16.023 0.138 -1.337 1.00 0.00 O ATOM 464 CB PHE A 30 -13.195 -1.917 -1.241 1.00 0.00 C ATOM 465 CG PHE A 30 -12.525 -0.896 -0.372 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.412 -0.228 -0.831 1.00 0.00 C ATOM 467 CD2 PHE A 30 -12.966 -0.652 0.916 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.743 0.663 -0.025 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.305 0.248 1.724 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.190 0.903 1.255 1.00 0.00 C ATOM 0 H PHE A 30 -14.703 0.396 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.691 -2.315 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.533 -2.735 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.447 -2.329 -1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.060 -0.406 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.835 -1.171 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.867 1.174 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.662 0.439 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.667 1.603 1.889 1.00 0.00 H new ATOM 480 N HIS A 31 -15.995 -1.872 -0.313 1.00 0.00 N ATOM 481 CA HIS A 31 -17.035 -1.537 0.669 1.00 0.00 C ATOM 482 C HIS A 31 -16.777 -2.345 1.945 1.00 0.00 C ATOM 483 O HIS A 31 -15.962 -3.262 1.918 1.00 0.00 O ATOM 484 CB HIS A 31 -18.466 -1.840 0.153 1.00 0.00 C ATOM 485 CG HIS A 31 -18.760 -1.353 -1.237 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.701 -2.197 -2.322 1.00 0.00 N ATOM 487 CD2 HIS A 31 -19.130 -0.120 -1.656 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.037 -1.464 -3.368 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.305 -0.200 -3.014 1.00 0.00 N ATOM 0 H HIS A 31 -15.652 -2.830 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.983 -0.465 0.859 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.626 -2.918 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.185 -1.391 0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.262 0.757 -1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.089 -1.836 -4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.586 0.558 -3.636 1.00 0.00 H new ATOM 497 N PRO A 32 -17.423 -2.026 3.092 1.00 0.00 N ATOM 498 CA PRO A 32 -18.276 -0.838 3.272 1.00 0.00 C ATOM 499 C PRO A 32 -17.490 0.466 3.124 1.00 0.00 C ATOM 500 O PRO A 32 -17.723 1.240 2.196 1.00 0.00 O ATOM 501 CB PRO A 32 -18.806 -0.978 4.705 1.00 0.00 C ATOM 502 CG PRO A 32 -18.611 -2.411 5.060 1.00 0.00 C ATOM 503 CD PRO A 32 -17.396 -2.864 4.305 1.00 0.00 C ATOM 0 HA PRO A 32 -19.063 -0.791 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.264 -0.326 5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.858 -0.698 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.470 -2.531 6.134 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.484 -3.003 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.483 -2.710 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.445 -3.926 4.063 1.00 0.00 H new ATOM 511 N SER A 33 -16.561 0.710 4.042 1.00 0.00 N ATOM 512 CA SER A 33 -15.662 1.846 3.963 1.00 0.00 C ATOM 513 C SER A 33 -14.356 1.457 4.658 1.00 0.00 C ATOM 514 O SER A 33 -13.615 2.300 5.165 1.00 0.00 O ATOM 515 CB SER A 33 -16.289 3.070 4.638 1.00 0.00 C ATOM 516 OG SER A 33 -17.500 3.436 3.991 1.00 0.00 O ATOM 0 H SER A 33 -16.413 0.122 4.862 1.00 0.00 H new ATOM 0 HA SER A 33 -15.470 2.107 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.484 2.852 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.589 3.905 4.610 1.00 0.00 H new ATOM 0 HG SER A 33 -17.297 3.978 3.200 1.00 0.00 H new ATOM 522 N ASP A 34 -14.105 0.150 4.668 1.00 0.00 N ATOM 523 CA ASP A 34 -13.005 -0.429 5.439 1.00 0.00 C ATOM 524 C ASP A 34 -12.231 -1.457 4.629 1.00 0.00 C ATOM 525 O ASP A 34 -12.820 -2.265 3.909 1.00 0.00 O ATOM 526 CB ASP A 34 -13.537 -1.124 6.698 1.00 0.00 C ATOM 527 CG ASP A 34 -14.257 -0.197 7.650 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.470 0.034 7.455 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.625 0.279 8.617 1.00 0.00 O ATOM 0 H ASP A 34 -14.653 -0.534 4.146 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.343 0.394 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.216 -1.923 6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.704 -1.592 7.222 1.00 0.00 H new ATOM 534 N ILE A 35 -10.914 -1.410 4.753 1.00 0.00 N ATOM 535 CA ILE A 35 -10.046 -2.450 4.226 1.00 0.00 C ATOM 536 C ILE A 35 -8.780 -2.520 5.072 1.00 0.00 C ATOM 537 O ILE A 35 -8.407 -1.535 5.713 1.00 0.00 O ATOM 538 CB ILE A 35 -9.649 -2.209 2.748 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.157 -3.523 2.126 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.570 -1.140 2.651 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.253 -3.358 0.920 1.00 0.00 C ATOM 0 H ILE A 35 -10.418 -0.651 5.221 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.602 -3.387 4.267 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.524 -1.859 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.623 -4.091 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.023 -4.117 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.304 -0.985 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.943 -0.207 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.688 -1.462 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.957 -4.340 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.787 -2.821 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.365 -2.795 1.206 1.00 0.00 H new ATOM 553 N GLU A 36 -8.133 -3.675 5.097 1.00 0.00 N ATOM 554 CA GLU A 36 -6.889 -3.826 5.825 1.00 0.00 C ATOM 555 C GLU A 36 -5.761 -4.096 4.843 1.00 0.00 C ATOM 556 O GLU A 36 -5.820 -5.044 4.053 1.00 0.00 O ATOM 557 CB GLU A 36 -6.978 -4.987 6.812 1.00 0.00 C ATOM 558 CG GLU A 36 -5.887 -4.972 7.875 1.00 0.00 C ATOM 559 CD GLU A 36 -6.066 -3.851 8.874 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.760 -2.694 8.538 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.508 -4.129 10.011 1.00 0.00 O ATOM 0 H GLU A 36 -8.451 -4.519 4.621 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.697 -2.907 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.951 -4.962 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.923 -5.926 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.884 -5.926 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.915 -4.872 7.392 1.00 0.00 H new ATOM 568 N VAL A 37 -4.739 -3.268 4.895 1.00 0.00 N ATOM 569 CA VAL A 37 -3.600 -3.408 4.005 1.00 0.00 C ATOM 570 C VAL A 37 -2.304 -3.275 4.794 1.00 0.00 C ATOM 571 O VAL A 37 -2.204 -2.479 5.726 1.00 0.00 O ATOM 572 CB VAL A 37 -3.658 -2.410 2.807 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.735 -1.376 3.039 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.312 -1.732 2.525 1.00 0.00 C ATOM 0 H VAL A 37 -4.671 -2.486 5.547 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.636 -4.405 3.565 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.901 -2.995 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.765 -0.686 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.701 -1.872 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.518 -0.823 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.418 -1.050 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.995 -1.173 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.565 -2.490 2.288 1.00 0.00 H new ATOM 584 N ASP A 38 -1.338 -4.088 4.422 1.00 0.00 N ATOM 585 CA ASP A 38 -0.078 -4.167 5.140 1.00 0.00 C ATOM 586 C ASP A 38 1.087 -4.143 4.165 1.00 0.00 C ATOM 587 O ASP A 38 0.985 -4.650 3.053 1.00 0.00 O ATOM 588 CB ASP A 38 -0.071 -5.422 6.032 1.00 0.00 C ATOM 589 CG ASP A 38 1.030 -6.417 5.719 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.191 -6.160 6.078 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.715 -7.484 5.153 1.00 0.00 O ATOM 0 H ASP A 38 -1.401 -4.711 3.617 1.00 0.00 H new ATOM 0 HA ASP A 38 0.034 -3.299 5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.024 -5.111 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.034 -5.924 5.936 1.00 0.00 H new ATOM 596 N LEU A 39 2.177 -3.517 4.575 1.00 0.00 N ATOM 597 CA LEU A 39 3.331 -3.357 3.707 1.00 0.00 C ATOM 598 C LEU A 39 4.360 -4.432 4.021 1.00 0.00 C ATOM 599 O LEU A 39 4.594 -4.763 5.180 1.00 0.00 O ATOM 600 CB LEU A 39 3.960 -1.970 3.870 1.00 0.00 C ATOM 601 CG LEU A 39 2.991 -0.786 3.857 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.751 0.522 4.034 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.175 -0.748 2.576 1.00 0.00 C ATOM 0 H LEU A 39 2.287 -3.111 5.504 1.00 0.00 H new ATOM 0 HA LEU A 39 2.999 -3.458 2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.512 -1.952 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.687 -1.827 3.071 1.00 0.00 H new ATOM 0 HG LEU A 39 2.300 -0.914 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.049 1.355 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.282 0.508 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.467 0.640 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.498 0.106 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.844 -0.655 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.597 -1.668 2.486 1.00 0.00 H new ATOM 615 N LEU A 40 4.967 -4.969 2.984 1.00 0.00 N ATOM 616 CA LEU A 40 5.873 -6.091 3.114 1.00 0.00 C ATOM 617 C LEU A 40 7.297 -5.737 2.746 1.00 0.00 C ATOM 618 O LEU A 40 7.601 -4.637 2.296 1.00 0.00 O ATOM 619 CB LEU A 40 5.448 -7.254 2.232 1.00 0.00 C ATOM 620 CG LEU A 40 3.963 -7.575 2.203 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.703 -8.674 1.189 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.490 -7.992 3.582 1.00 0.00 C ATOM 0 H LEU A 40 4.846 -4.640 2.026 1.00 0.00 H new ATOM 0 HA LEU A 40 5.831 -6.372 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.772 -7.045 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.983 -8.145 2.560 1.00 0.00 H new ATOM 0 HG LEU A 40 3.405 -6.686 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.638 -8.905 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.022 -8.341 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.262 -9.567 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.425 -8.219 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.040 -8.877 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.665 -7.180 4.288 1.00 0.00 H new ATOM 634 N LYS A 41 8.138 -6.740 2.920 1.00 0.00 N ATOM 635 CA LYS A 41 9.540 -6.683 2.575 1.00 0.00 C ATOM 636 C LYS A 41 9.985 -8.058 2.151 1.00 0.00 C ATOM 637 O LYS A 41 10.150 -8.948 2.986 1.00 0.00 O ATOM 638 CB LYS A 41 10.395 -6.221 3.728 1.00 0.00 C ATOM 639 CG LYS A 41 9.904 -4.918 4.345 1.00 0.00 C ATOM 640 CD LYS A 41 10.869 -4.410 5.405 1.00 0.00 C ATOM 641 CE LYS A 41 12.267 -4.213 4.831 1.00 0.00 C ATOM 642 NZ LYS A 41 13.223 -3.711 5.850 1.00 0.00 N ATOM 0 H LYS A 41 7.855 -7.637 3.315 1.00 0.00 H new ATOM 0 HA LYS A 41 9.661 -5.961 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.412 -6.996 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.421 -6.090 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.788 -4.165 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.920 -5.071 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.504 -3.467 5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.910 -5.118 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.630 -5.159 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.221 -3.510 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.161 -3.591 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.891 -2.796 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.287 -4.394 6.632 1.00 0.00 H new ATOM 656 N ASN A 42 10.121 -8.229 0.849 1.00 0.00 N ATOM 657 CA ASN A 42 10.496 -9.516 0.236 1.00 0.00 C ATOM 658 C ASN A 42 9.357 -10.534 0.346 1.00 0.00 C ATOM 659 O ASN A 42 9.306 -11.514 -0.393 1.00 0.00 O ATOM 660 CB ASN A 42 11.783 -10.075 0.873 1.00 0.00 C ATOM 661 CG ASN A 42 12.983 -9.170 0.649 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.728 -9.334 -0.314 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.170 -8.207 1.539 1.00 0.00 N ATOM 0 H ASN A 42 9.976 -7.481 0.171 1.00 0.00 H new ATOM 0 HA ASN A 42 10.687 -9.335 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.627 -10.208 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.992 -11.060 0.457 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.957 -7.566 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.527 -8.106 2.324 1.00 0.00 H new ATOM 670 N GLY A 43 8.439 -10.267 1.259 1.00 0.00 N ATOM 671 CA GLY A 43 7.309 -11.141 1.497 1.00 0.00 C ATOM 672 C GLY A 43 6.912 -11.125 2.960 1.00 0.00 C ATOM 673 O GLY A 43 5.923 -11.741 3.355 1.00 0.00 O ATOM 0 H GLY A 43 8.458 -9.439 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.465 -10.826 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.561 -12.158 1.195 1.00 0.00 H new ATOM 677 N GLU A 44 7.686 -10.400 3.762 1.00 0.00 N ATOM 678 CA GLU A 44 7.474 -10.349 5.197 1.00 0.00 C ATOM 679 C GLU A 44 6.809 -9.042 5.606 1.00 0.00 C ATOM 680 O GLU A 44 7.061 -8.004 5.009 1.00 0.00 O ATOM 681 CB GLU A 44 8.810 -10.494 5.910 1.00 0.00 C ATOM 682 CG GLU A 44 9.525 -11.793 5.594 1.00 0.00 C ATOM 683 CD GLU A 44 10.684 -12.050 6.529 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.841 -12.031 6.068 1.00 0.00 O ATOM 685 OE2 GLU A 44 10.445 -12.256 7.738 1.00 0.00 O ATOM 0 H GLU A 44 8.471 -9.837 3.435 1.00 0.00 H new ATOM 0 HA GLU A 44 6.813 -11.168 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.453 -9.658 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.648 -10.430 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.818 -12.620 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.889 -11.765 4.567 1.00 0.00 H new ATOM 692 N ARG A 45 5.971 -9.114 6.630 1.00 0.00 N ATOM 693 CA ARG A 45 5.200 -7.967 7.103 1.00 0.00 C ATOM 694 C ARG A 45 6.089 -6.895 7.743 1.00 0.00 C ATOM 695 O ARG A 45 7.066 -7.212 8.425 1.00 0.00 O ATOM 696 CB ARG A 45 4.167 -8.458 8.124 1.00 0.00 C ATOM 697 CG ARG A 45 3.193 -7.412 8.592 1.00 0.00 C ATOM 698 CD ARG A 45 1.944 -8.090 9.169 1.00 0.00 C ATOM 699 NE ARG A 45 1.994 -9.552 9.063 1.00 0.00 N ATOM 700 CZ ARG A 45 1.167 -10.285 8.318 1.00 0.00 C ATOM 701 NH1 ARG A 45 0.281 -9.699 7.520 1.00 0.00 N ATOM 702 NH2 ARG A 45 1.248 -11.609 8.355 1.00 0.00 N ATOM 0 H ARG A 45 5.804 -9.970 7.159 1.00 0.00 H new ATOM 0 HA ARG A 45 4.709 -7.508 6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.608 -9.284 7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.695 -8.856 8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.658 -6.781 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.915 -6.762 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.834 -7.809 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.061 -7.722 8.646 1.00 0.00 H new ATOM 0 HE ARG A 45 2.712 -10.042 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.230 -8.681 7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.349 -10.267 6.953 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.941 -12.061 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.617 -12.175 7.787 1.00 0.00 H new ATOM 716 N ILE A 46 5.744 -5.630 7.509 1.00 0.00 N ATOM 717 CA ILE A 46 6.377 -4.506 8.187 1.00 0.00 C ATOM 718 C ILE A 46 5.497 -4.075 9.347 1.00 0.00 C ATOM 719 O ILE A 46 4.274 -4.033 9.224 1.00 0.00 O ATOM 720 CB ILE A 46 6.562 -3.280 7.264 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.365 -3.618 6.016 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.254 -2.152 8.021 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.392 -2.477 5.018 1.00 0.00 C ATOM 0 H ILE A 46 5.019 -5.358 6.845 1.00 0.00 H new ATOM 0 HA ILE A 46 7.361 -4.842 8.515 1.00 0.00 H new ATOM 0 HB ILE A 46 5.568 -2.962 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.386 -3.871 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.939 -4.502 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.379 -1.294 7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.647 -1.864 8.879 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.231 -2.491 8.365 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.978 -2.770 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.374 -2.240 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.844 -1.600 5.481 1.00 0.00 H new ATOM 735 N GLU A 47 6.108 -3.753 10.468 1.00 0.00 N ATOM 736 CA GLU A 47 5.355 -3.361 11.651 1.00 0.00 C ATOM 737 C GLU A 47 5.304 -1.835 11.839 1.00 0.00 C ATOM 738 O GLU A 47 4.311 -1.311 12.337 1.00 0.00 O ATOM 739 CB GLU A 47 5.888 -4.065 12.920 1.00 0.00 C ATOM 740 CG GLU A 47 7.401 -4.265 12.999 1.00 0.00 C ATOM 741 CD GLU A 47 7.950 -5.250 11.992 1.00 0.00 C ATOM 742 OE1 GLU A 47 7.798 -6.469 12.197 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.552 -4.802 10.994 1.00 0.00 O ATOM 0 H GLU A 47 7.121 -3.753 10.589 1.00 0.00 H new ATOM 0 HA GLU A 47 4.329 -3.692 11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.574 -3.487 13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.409 -5.041 12.996 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.891 -3.302 12.853 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.659 -4.606 14.002 1.00 0.00 H new ATOM 750 N LYS A 48 6.373 -1.128 11.459 1.00 0.00 N ATOM 751 CA LYS A 48 6.417 0.339 11.521 1.00 0.00 C ATOM 752 C LYS A 48 5.388 1.037 10.630 1.00 0.00 C ATOM 753 O LYS A 48 5.265 2.261 10.677 1.00 0.00 O ATOM 754 CB LYS A 48 7.813 0.792 11.125 1.00 0.00 C ATOM 755 CG LYS A 48 8.889 0.198 12.006 1.00 0.00 C ATOM 756 CD LYS A 48 9.343 1.178 13.066 1.00 0.00 C ATOM 757 CE LYS A 48 8.227 1.520 14.045 1.00 0.00 C ATOM 758 NZ LYS A 48 8.616 2.618 14.965 1.00 0.00 N ATOM 0 H LYS A 48 7.229 -1.552 11.101 1.00 0.00 H new ATOM 0 HA LYS A 48 6.168 0.621 12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.002 0.512 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.866 1.880 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.512 -0.706 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.741 -0.097 11.393 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.187 0.756 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.697 2.091 12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.334 1.810 13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.969 0.634 14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.830 2.821 15.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.453 2.332 15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.838 3.471 14.413 1.00 0.00 H new ATOM 772 N VAL A 49 4.676 0.281 9.813 1.00 0.00 N ATOM 773 CA VAL A 49 3.652 0.855 8.951 1.00 0.00 C ATOM 774 C VAL A 49 2.545 1.511 9.757 1.00 0.00 C ATOM 775 O VAL A 49 2.114 0.990 10.787 1.00 0.00 O ATOM 776 CB VAL A 49 3.022 -0.201 8.036 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.953 0.433 7.156 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.092 -0.866 7.198 1.00 0.00 C ATOM 0 H VAL A 49 4.786 -0.729 9.727 1.00 0.00 H new ATOM 0 HA VAL A 49 4.157 1.607 8.344 1.00 0.00 H new ATOM 0 HB VAL A 49 2.544 -0.965 8.650 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.514 -0.328 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.176 0.869 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.403 1.213 6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.635 -1.615 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.594 -0.116 6.587 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.820 -1.347 7.852 1.00 0.00 H new ATOM 788 N GLU A 50 2.082 2.653 9.273 1.00 0.00 N ATOM 789 CA GLU A 50 0.980 3.351 9.894 1.00 0.00 C ATOM 790 C GLU A 50 0.036 3.871 8.819 1.00 0.00 C ATOM 791 O GLU A 50 0.417 4.026 7.657 1.00 0.00 O ATOM 792 CB GLU A 50 1.478 4.516 10.756 1.00 0.00 C ATOM 793 CG GLU A 50 2.594 4.148 11.711 1.00 0.00 C ATOM 794 CD GLU A 50 3.166 5.360 12.412 1.00 0.00 C ATOM 795 OE1 GLU A 50 2.650 5.736 13.484 1.00 0.00 O ATOM 796 OE2 GLU A 50 4.127 5.956 11.887 1.00 0.00 O ATOM 0 H GLU A 50 2.459 3.115 8.445 1.00 0.00 H new ATOM 0 HA GLU A 50 0.452 2.652 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.824 5.316 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.640 4.913 11.329 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.218 3.444 12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.387 3.639 11.163 1.00 0.00 H new ATOM 803 N HIS A 51 -1.187 4.120 9.218 1.00 0.00 N ATOM 804 CA HIS A 51 -2.197 4.683 8.325 1.00 0.00 C ATOM 805 C HIS A 51 -2.576 6.097 8.758 1.00 0.00 C ATOM 806 O HIS A 51 -2.819 6.355 9.940 1.00 0.00 O ATOM 807 CB HIS A 51 -3.437 3.788 8.249 1.00 0.00 C ATOM 808 CG HIS A 51 -4.043 3.420 9.575 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.237 3.960 9.984 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.598 2.561 10.527 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.493 3.422 11.163 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.529 2.570 11.534 1.00 0.00 N ATOM 0 H HIS A 51 -1.520 3.943 10.166 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.764 4.735 7.326 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.194 4.293 7.649 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.172 2.872 7.722 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.687 1.982 10.497 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.370 3.642 11.754 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.494 2.031 12.399 1.00 0.00 H new ATOM 820 N SER A 52 -2.596 7.013 7.795 1.00 0.00 N ATOM 821 CA SER A 52 -2.921 8.412 8.061 1.00 0.00 C ATOM 822 C SER A 52 -4.436 8.630 8.108 1.00 0.00 C ATOM 823 O SER A 52 -5.200 7.671 8.237 1.00 0.00 O ATOM 824 CB SER A 52 -2.282 9.293 6.972 1.00 0.00 C ATOM 825 OG SER A 52 -2.508 8.739 5.686 1.00 0.00 O ATOM 0 H SER A 52 -2.390 6.811 6.817 1.00 0.00 H new ATOM 0 HA SER A 52 -2.521 8.688 9.037 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.699 10.299 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.211 9.383 7.152 1.00 0.00 H new ATOM 0 HG SER A 52 -2.710 9.458 5.051 1.00 0.00 H new ATOM 831 N ASP A 53 -4.864 9.892 8.012 1.00 0.00 N ATOM 832 CA ASP A 53 -6.290 10.228 8.029 1.00 0.00 C ATOM 833 C ASP A 53 -7.051 9.417 6.990 1.00 0.00 C ATOM 834 O ASP A 53 -6.613 9.311 5.844 1.00 0.00 O ATOM 835 CB ASP A 53 -6.502 11.727 7.782 1.00 0.00 C ATOM 836 CG ASP A 53 -7.970 12.112 7.698 1.00 0.00 C ATOM 837 OD1 ASP A 53 -8.687 11.980 8.715 1.00 0.00 O ATOM 838 OD2 ASP A 53 -8.412 12.559 6.616 1.00 0.00 O ATOM 0 H ASP A 53 -4.244 10.697 7.922 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.677 9.980 9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.029 12.293 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.004 12.011 6.855 1.00 0.00 H new ATOM 843 N LEU A 54 -8.163 8.831 7.423 1.00 0.00 N ATOM 844 CA LEU A 54 -8.958 7.915 6.601 1.00 0.00 C ATOM 845 C LEU A 54 -9.207 8.452 5.193 1.00 0.00 C ATOM 846 O LEU A 54 -8.461 8.140 4.261 1.00 0.00 O ATOM 847 CB LEU A 54 -10.301 7.604 7.280 1.00 0.00 C ATOM 848 CG LEU A 54 -11.162 6.543 6.578 1.00 0.00 C ATOM 849 CD1 LEU A 54 -10.484 5.179 6.604 1.00 0.00 C ATOM 850 CD2 LEU A 54 -12.547 6.465 7.209 1.00 0.00 C ATOM 0 H LEU A 54 -8.543 8.977 8.358 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.374 7.000 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.105 7.273 8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.876 8.527 7.350 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.275 6.843 5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.117 4.448 6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.523 5.241 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.326 4.871 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.139 5.707 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.453 6.200 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.042 7.432 7.121 1.00 0.00 H new ATOM 862 N SER A 55 -10.230 9.277 5.042 1.00 0.00 N ATOM 863 CA SER A 55 -10.673 9.685 3.719 1.00 0.00 C ATOM 864 C SER A 55 -11.650 10.851 3.794 1.00 0.00 C ATOM 865 O SER A 55 -11.971 11.350 4.875 1.00 0.00 O ATOM 866 CB SER A 55 -11.348 8.491 3.031 1.00 0.00 C ATOM 867 OG SER A 55 -11.723 8.786 1.694 1.00 0.00 O ATOM 0 H SER A 55 -10.766 9.675 5.813 1.00 0.00 H new ATOM 0 HA SER A 55 -9.805 10.013 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.669 7.639 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.231 8.198 3.598 1.00 0.00 H new ATOM 0 HG SER A 55 -10.929 9.046 1.182 1.00 0.00 H new ATOM 873 N PHE A 56 -12.109 11.272 2.627 1.00 0.00 N ATOM 874 CA PHE A 56 -13.167 12.255 2.508 1.00 0.00 C ATOM 875 C PHE A 56 -14.070 11.836 1.357 1.00 0.00 C ATOM 876 O PHE A 56 -13.594 11.336 0.336 1.00 0.00 O ATOM 877 CB PHE A 56 -12.607 13.669 2.270 1.00 0.00 C ATOM 878 CG PHE A 56 -13.669 14.737 2.293 1.00 0.00 C ATOM 879 CD1 PHE A 56 -14.339 15.093 1.135 1.00 0.00 C ATOM 880 CD2 PHE A 56 -14.008 15.372 3.476 1.00 0.00 C ATOM 881 CE1 PHE A 56 -15.325 16.058 1.151 1.00 0.00 C ATOM 882 CE2 PHE A 56 -14.992 16.341 3.501 1.00 0.00 C ATOM 883 CZ PHE A 56 -15.652 16.684 2.337 1.00 0.00 C ATOM 0 H PHE A 56 -11.754 10.938 1.731 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.730 12.295 3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -11.861 13.891 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -12.096 13.694 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -14.086 14.608 0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -13.497 15.106 4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -15.839 16.323 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -15.245 16.830 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 56 -16.422 17.441 2.355 1.00 0.00 H new ATOM 893 N SER A 57 -15.367 12.002 1.550 1.00 0.00 N ATOM 894 CA SER A 57 -16.367 11.654 0.550 1.00 0.00 C ATOM 895 C SER A 57 -16.388 12.686 -0.587 1.00 0.00 C ATOM 896 O SER A 57 -15.378 13.324 -0.877 1.00 0.00 O ATOM 897 CB SER A 57 -17.744 11.551 1.222 1.00 0.00 C ATOM 898 OG SER A 57 -18.716 11.000 0.344 1.00 0.00 O ATOM 0 H SER A 57 -15.761 12.384 2.410 1.00 0.00 H new ATOM 0 HA SER A 57 -16.111 10.689 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.668 10.932 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.066 12.541 1.547 1.00 0.00 H new ATOM 0 HG SER A 57 -19.465 11.625 0.252 1.00 0.00 H new ATOM 904 N LYS A 58 -17.523 12.755 -1.277 1.00 0.00 N ATOM 905 CA LYS A 58 -17.789 13.779 -2.297 1.00 0.00 C ATOM 906 C LYS A 58 -17.181 13.411 -3.657 1.00 0.00 C ATOM 907 O LYS A 58 -17.579 13.956 -4.687 1.00 0.00 O ATOM 908 CB LYS A 58 -17.267 15.145 -1.823 1.00 0.00 C ATOM 909 CG LYS A 58 -17.730 16.327 -2.654 1.00 0.00 C ATOM 910 CD LYS A 58 -19.239 16.505 -2.581 1.00 0.00 C ATOM 911 CE LYS A 58 -19.662 17.892 -3.036 1.00 0.00 C ATOM 912 NZ LYS A 58 -19.040 18.951 -2.197 1.00 0.00 N ATOM 0 H LYS A 58 -18.293 12.099 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.869 13.836 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.581 15.300 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.177 15.122 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.238 17.234 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.430 16.183 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.725 15.754 -3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.576 16.339 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.378 18.037 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.748 17.977 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.647 19.796 -2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.932 18.603 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.106 19.196 -2.583 1.00 0.00 H new ATOM 926 N ASP A 59 -16.230 12.481 -3.669 1.00 0.00 N ATOM 927 CA ASP A 59 -15.598 12.057 -4.912 1.00 0.00 C ATOM 928 C ASP A 59 -16.341 10.864 -5.486 1.00 0.00 C ATOM 929 O ASP A 59 -16.977 10.968 -6.537 1.00 0.00 O ATOM 930 CB ASP A 59 -14.125 11.708 -4.679 1.00 0.00 C ATOM 931 CG ASP A 59 -13.463 11.079 -5.895 1.00 0.00 C ATOM 932 OD1 ASP A 59 -13.477 11.697 -6.979 1.00 0.00 O ATOM 933 OD2 ASP A 59 -12.905 9.966 -5.764 1.00 0.00 O ATOM 0 H ASP A 59 -15.882 12.009 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.642 12.880 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.582 12.612 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.049 11.022 -3.835 1.00 0.00 H new ATOM 938 N TRP A 60 -16.272 9.743 -4.773 1.00 0.00 N ATOM 939 CA TRP A 60 -16.977 8.529 -5.159 1.00 0.00 C ATOM 940 C TRP A 60 -16.687 7.420 -4.158 1.00 0.00 C ATOM 941 O TRP A 60 -17.578 6.958 -3.449 1.00 0.00 O ATOM 942 CB TRP A 60 -16.559 8.084 -6.561 1.00 0.00 C ATOM 943 CG TRP A 60 -17.367 6.938 -7.094 1.00 0.00 C ATOM 944 CD1 TRP A 60 -16.931 5.669 -7.350 1.00 0.00 C ATOM 945 CD2 TRP A 60 -18.760 6.959 -7.426 1.00 0.00 C ATOM 946 NE1 TRP A 60 -17.968 4.901 -7.823 1.00 0.00 N ATOM 947 CE2 TRP A 60 -19.100 5.671 -7.880 1.00 0.00 C ATOM 948 CE3 TRP A 60 -19.753 7.943 -7.384 1.00 0.00 C ATOM 949 CZ2 TRP A 60 -20.389 5.339 -8.285 1.00 0.00 C ATOM 950 CZ3 TRP A 60 -21.034 7.618 -7.789 1.00 0.00 C ATOM 951 CH2 TRP A 60 -21.344 6.318 -8.236 1.00 0.00 C ATOM 0 H TRP A 60 -15.728 9.653 -3.915 1.00 0.00 H new ATOM 0 HA TRP A 60 -18.047 8.739 -5.166 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -16.649 8.929 -7.243 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -15.507 7.799 -6.544 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -15.920 5.320 -7.202 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -17.905 3.918 -8.088 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -19.523 8.941 -7.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -20.628 4.343 -8.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -21.808 8.371 -7.763 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -22.353 6.090 -8.545 1.00 0.00 H new ATOM 962 N SER A 61 -15.430 7.014 -4.098 1.00 0.00 N ATOM 963 CA SER A 61 -15.015 5.955 -3.197 1.00 0.00 C ATOM 964 C SER A 61 -14.199 6.536 -2.049 1.00 0.00 C ATOM 965 O SER A 61 -13.659 7.639 -2.155 1.00 0.00 O ATOM 966 CB SER A 61 -14.185 4.919 -3.969 1.00 0.00 C ATOM 967 OG SER A 61 -14.892 4.457 -5.109 1.00 0.00 O ATOM 0 H SER A 61 -14.677 7.404 -4.665 1.00 0.00 H new ATOM 0 HA SER A 61 -15.898 5.467 -2.783 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.238 5.362 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.947 4.078 -3.317 1.00 0.00 H new ATOM 0 HG SER A 61 -14.463 4.799 -5.921 1.00 0.00 H new ATOM 973 N PHE A 62 -14.129 5.798 -0.952 1.00 0.00 N ATOM 974 CA PHE A 62 -13.368 6.224 0.211 1.00 0.00 C ATOM 975 C PHE A 62 -11.976 5.610 0.151 1.00 0.00 C ATOM 976 O PHE A 62 -11.822 4.441 -0.206 1.00 0.00 O ATOM 977 CB PHE A 62 -14.077 5.804 1.514 1.00 0.00 C ATOM 978 CG PHE A 62 -15.556 6.127 1.573 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.014 7.279 2.202 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.491 5.261 1.017 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.373 7.560 2.271 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.846 5.538 1.081 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.285 6.687 1.708 1.00 0.00 C ATOM 0 H PHE A 62 -14.593 4.896 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 62 -13.290 7.311 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.950 4.730 1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.581 6.292 2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.305 7.964 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.155 4.359 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.716 8.458 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.559 4.856 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.342 6.904 1.759 1.00 0.00 H new ATOM 993 N TYR A 63 -10.971 6.404 0.488 1.00 0.00 N ATOM 994 CA TYR A 63 -9.588 5.963 0.403 1.00 0.00 C ATOM 995 C TYR A 63 -9.060 5.597 1.785 1.00 0.00 C ATOM 996 O TYR A 63 -9.546 6.098 2.795 1.00 0.00 O ATOM 997 CB TYR A 63 -8.694 7.063 -0.199 1.00 0.00 C ATOM 998 CG TYR A 63 -9.398 8.031 -1.127 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.737 9.305 -0.689 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.707 7.683 -2.437 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.362 10.206 -1.526 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.336 8.580 -3.281 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.660 9.838 -2.819 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.278 10.737 -3.657 1.00 0.00 O ATOM 0 H TYR A 63 -11.089 7.360 0.824 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.561 5.087 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.243 7.629 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.879 6.588 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.507 9.595 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.452 6.698 -2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.616 11.193 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.572 8.297 -4.296 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.618 10.267 -4.447 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.098 4.691 1.829 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.353 4.441 3.054 1.00 0.00 C ATOM 1016 C LEU A 64 -5.869 4.288 2.725 1.00 0.00 C ATOM 1017 O LEU A 64 -5.499 3.554 1.807 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.957 3.225 3.782 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.111 2.569 4.867 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.985 2.247 6.067 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.477 1.306 4.326 1.00 0.00 C ATOM 0 H LEU A 64 -7.814 4.118 1.035 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.432 5.284 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.900 3.535 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.194 2.468 3.035 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.321 3.253 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.380 1.778 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.423 3.166 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.780 1.565 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.873 0.840 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.257 0.614 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.843 1.553 3.474 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.023 5.005 3.472 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.607 5.115 3.137 1.00 0.00 C ATOM 1035 C LEU A 65 -2.733 4.427 4.180 1.00 0.00 C ATOM 1036 O LEU A 65 -2.852 4.695 5.373 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.215 6.602 3.009 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.726 6.927 2.702 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.135 6.023 1.641 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -1.581 8.380 2.273 1.00 0.00 C ATOM 0 H LEU A 65 -5.298 5.516 4.311 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.443 4.613 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.825 7.044 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.484 7.102 3.939 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.172 6.753 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.094 6.297 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.187 4.987 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.698 6.134 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.533 8.594 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.176 8.556 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.930 9.032 3.074 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.859 3.548 3.714 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.895 2.874 4.571 1.00 0.00 C ATOM 1054 C TYR A 66 0.519 3.166 4.088 1.00 0.00 C ATOM 1055 O TYR A 66 0.891 2.806 2.972 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.154 1.367 4.597 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.070 0.903 5.710 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.415 0.651 5.481 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.574 0.680 6.989 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.236 0.197 6.490 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.394 0.229 8.005 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.722 -0.013 7.750 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.539 -0.456 8.762 1.00 0.00 O ATOM 0 H TYR A 66 -1.798 3.282 2.731 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.006 3.252 5.587 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.586 1.069 3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.199 0.849 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.825 0.813 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.529 0.863 7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.281 0.006 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.993 0.067 8.995 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.093 -1.195 8.435 1.00 0.00 H new ATOM 1073 N TYR A 67 1.299 3.836 4.926 1.00 0.00 N ATOM 1074 CA TYR A 67 2.653 4.228 4.540 1.00 0.00 C ATOM 1075 C TYR A 67 3.647 4.054 5.681 1.00 0.00 C ATOM 1076 O TYR A 67 3.263 3.885 6.840 1.00 0.00 O ATOM 1077 CB TYR A 67 2.704 5.667 3.981 1.00 0.00 C ATOM 1078 CG TYR A 67 2.276 6.805 4.895 1.00 0.00 C ATOM 1079 CD1 TYR A 67 1.436 6.628 5.992 1.00 0.00 C ATOM 1080 CD2 TYR A 67 2.690 8.100 4.595 1.00 0.00 C ATOM 1081 CE1 TYR A 67 1.030 7.713 6.755 1.00 0.00 C ATOM 1082 CE2 TYR A 67 2.297 9.175 5.360 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.467 8.979 6.435 1.00 0.00 C ATOM 1084 OH TYR A 67 1.064 10.056 7.194 1.00 0.00 O ATOM 0 H TYR A 67 1.024 4.118 5.867 1.00 0.00 H new ATOM 0 HA TYR A 67 2.950 3.552 3.738 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.727 5.864 3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.077 5.701 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.097 5.636 6.251 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.334 8.265 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.372 7.565 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.641 10.169 5.115 1.00 0.00 H new ATOM 0 HH TYR A 67 1.462 10.876 6.835 1.00 0.00 H new ATOM 1094 N THR A 68 4.929 4.070 5.332 1.00 0.00 N ATOM 1095 CA THR A 68 6.001 3.897 6.305 1.00 0.00 C ATOM 1096 C THR A 68 7.286 4.574 5.817 1.00 0.00 C ATOM 1097 O THR A 68 7.488 4.752 4.611 1.00 0.00 O ATOM 1098 CB THR A 68 6.285 2.394 6.571 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.233 2.251 7.636 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.814 1.695 5.320 1.00 0.00 C ATOM 0 H THR A 68 5.253 4.202 4.374 1.00 0.00 H new ATOM 0 HA THR A 68 5.674 4.362 7.235 1.00 0.00 H new ATOM 0 HB THR A 68 5.343 1.925 6.853 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.404 1.299 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.002 0.645 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.076 1.771 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.742 2.170 5.002 1.00 0.00 H new ATOM 1108 N GLU A 69 8.131 4.966 6.765 1.00 0.00 N ATOM 1109 CA GLU A 69 9.449 5.510 6.453 1.00 0.00 C ATOM 1110 C GLU A 69 10.429 4.352 6.279 1.00 0.00 C ATOM 1111 O GLU A 69 10.511 3.472 7.138 1.00 0.00 O ATOM 1112 CB GLU A 69 9.925 6.445 7.576 1.00 0.00 C ATOM 1113 CG GLU A 69 11.215 7.194 7.260 1.00 0.00 C ATOM 1114 CD GLU A 69 11.816 7.853 8.484 1.00 0.00 C ATOM 1115 OE1 GLU A 69 11.841 9.100 8.554 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.265 7.119 9.393 1.00 0.00 O ATOM 0 H GLU A 69 7.925 4.917 7.763 1.00 0.00 H new ATOM 0 HA GLU A 69 9.395 6.090 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.139 7.170 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.071 5.860 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.939 6.500 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.015 7.953 6.504 1.00 0.00 H new ATOM 1123 N PHE A 70 11.157 4.348 5.171 1.00 0.00 N ATOM 1124 CA PHE A 70 12.043 3.235 4.841 1.00 0.00 C ATOM 1125 C PHE A 70 13.313 3.751 4.168 1.00 0.00 C ATOM 1126 O PHE A 70 13.321 4.851 3.608 1.00 0.00 O ATOM 1127 CB PHE A 70 11.320 2.194 3.955 1.00 0.00 C ATOM 1128 CG PHE A 70 10.959 2.643 2.554 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.879 1.711 1.532 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.695 3.970 2.259 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.550 2.087 0.244 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.367 4.356 0.969 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.295 3.414 -0.041 1.00 0.00 C ATOM 0 H PHE A 70 11.153 5.102 4.484 1.00 0.00 H new ATOM 0 HA PHE A 70 12.328 2.734 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.953 1.310 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.405 1.888 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.078 0.671 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.745 4.712 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.492 1.345 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.167 5.395 0.752 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.041 3.714 -1.047 1.00 0.00 H new ATOM 1143 N THR A 71 14.381 2.973 4.244 1.00 0.00 N ATOM 1144 CA THR A 71 15.610 3.282 3.537 1.00 0.00 C ATOM 1145 C THR A 71 15.844 2.237 2.446 1.00 0.00 C ATOM 1146 O THR A 71 16.479 1.212 2.691 1.00 0.00 O ATOM 1147 CB THR A 71 16.823 3.301 4.489 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.559 4.175 5.596 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.082 3.765 3.759 1.00 0.00 C ATOM 0 H THR A 71 14.419 2.115 4.794 1.00 0.00 H new ATOM 0 HA THR A 71 15.506 4.274 3.098 1.00 0.00 H new ATOM 0 HB THR A 71 16.988 2.287 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.332 4.182 6.199 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.923 3.770 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.295 3.086 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.927 4.771 3.370 1.00 0.00 H new ATOM 1157 N PRO A 72 15.286 2.458 1.241 1.00 0.00 N ATOM 1158 CA PRO A 72 15.434 1.547 0.106 1.00 0.00 C ATOM 1159 C PRO A 72 16.879 1.163 -0.160 1.00 0.00 C ATOM 1160 O PRO A 72 17.798 1.960 0.007 1.00 0.00 O ATOM 1161 CB PRO A 72 14.861 2.336 -1.091 1.00 0.00 C ATOM 1162 CG PRO A 72 14.654 3.732 -0.593 1.00 0.00 C ATOM 1163 CD PRO A 72 14.450 3.612 0.890 1.00 0.00 C ATOM 0 HA PRO A 72 14.921 0.604 0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.549 2.320 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.923 1.900 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.516 4.360 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.789 4.193 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.764 4.514 1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.403 3.444 1.142 1.00 0.00 H new ATOM 1171 N THR A 73 17.053 -0.072 -0.569 1.00 0.00 N ATOM 1172 CA THR A 73 18.340 -0.614 -0.918 1.00 0.00 C ATOM 1173 C THR A 73 18.174 -1.405 -2.192 1.00 0.00 C ATOM 1174 O THR A 73 17.048 -1.658 -2.621 1.00 0.00 O ATOM 1175 CB THR A 73 18.894 -1.539 0.187 1.00 0.00 C ATOM 1176 OG1 THR A 73 17.979 -2.606 0.446 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.136 -0.764 1.474 1.00 0.00 C ATOM 0 H THR A 73 16.288 -0.739 -0.669 1.00 0.00 H new ATOM 0 HA THR A 73 19.048 0.205 -1.043 1.00 0.00 H new ATOM 0 HB THR A 73 19.842 -1.947 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.351 -2.335 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.526 -1.438 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.858 0.032 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.198 -0.330 1.819 1.00 0.00 H new ATOM 1185 N GLU A 74 19.261 -1.778 -2.819 1.00 0.00 N ATOM 1186 CA GLU A 74 19.161 -2.599 -3.998 1.00 0.00 C ATOM 1187 C GLU A 74 18.897 -4.056 -3.629 1.00 0.00 C ATOM 1188 O GLU A 74 18.183 -4.769 -4.332 1.00 0.00 O ATOM 1189 CB GLU A 74 20.401 -2.515 -4.898 1.00 0.00 C ATOM 1190 CG GLU A 74 21.456 -1.440 -4.601 1.00 0.00 C ATOM 1191 CD GLU A 74 22.118 -1.581 -3.244 1.00 0.00 C ATOM 1192 OE1 GLU A 74 21.677 -0.912 -2.286 1.00 0.00 O ATOM 1193 OE2 GLU A 74 23.083 -2.352 -3.129 1.00 0.00 O ATOM 0 H GLU A 74 20.210 -1.531 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 74 18.318 -2.204 -4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 74 20.899 -3.484 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 74 20.057 -2.367 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.224 -1.477 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.987 -0.458 -4.664 1.00 0.00 H new ATOM 1200 N LYS A 75 19.485 -4.481 -2.531 1.00 0.00 N ATOM 1201 CA LYS A 75 19.406 -5.856 -2.091 1.00 0.00 C ATOM 1202 C LYS A 75 18.066 -6.203 -1.421 1.00 0.00 C ATOM 1203 O LYS A 75 17.626 -7.350 -1.495 1.00 0.00 O ATOM 1204 CB LYS A 75 20.562 -6.121 -1.137 1.00 0.00 C ATOM 1205 CG LYS A 75 21.929 -5.845 -1.762 1.00 0.00 C ATOM 1206 CD LYS A 75 22.084 -6.571 -3.084 1.00 0.00 C ATOM 1207 CE LYS A 75 23.449 -6.324 -3.696 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.596 -7.006 -5.008 1.00 0.00 N ATOM 0 H LYS A 75 20.033 -3.879 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 75 19.472 -6.496 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.443 -5.500 -0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.523 -7.159 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.052 -4.773 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.716 -6.160 -1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.940 -7.641 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.309 -6.240 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.602 -5.252 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.223 -6.677 -3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.542 -6.814 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.475 -8.031 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.874 -6.651 -5.667 1.00 0.00 H new ATOM 1222 N ASP A 76 17.419 -5.242 -0.756 1.00 0.00 N ATOM 1223 CA ASP A 76 16.142 -5.534 -0.080 1.00 0.00 C ATOM 1224 C ASP A 76 14.969 -5.221 -1.005 1.00 0.00 C ATOM 1225 O ASP A 76 15.172 -4.799 -2.145 1.00 0.00 O ATOM 1226 CB ASP A 76 15.994 -4.753 1.233 1.00 0.00 C ATOM 1227 CG ASP A 76 15.336 -5.581 2.313 1.00 0.00 C ATOM 1228 OD1 ASP A 76 14.105 -5.760 2.263 1.00 0.00 O ATOM 1229 OD2 ASP A 76 16.054 -6.062 3.216 1.00 0.00 O ATOM 0 H ASP A 76 17.743 -4.279 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 76 16.140 -6.596 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.977 -4.427 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.404 -3.854 1.055 1.00 0.00 H new ATOM 1234 N GLU A 77 13.745 -5.413 -0.524 1.00 0.00 N ATOM 1235 CA GLU A 77 12.571 -5.240 -1.370 1.00 0.00 C ATOM 1236 C GLU A 77 11.336 -5.055 -0.513 1.00 0.00 C ATOM 1237 O GLU A 77 11.259 -5.615 0.576 1.00 0.00 O ATOM 1238 CB GLU A 77 12.401 -6.463 -2.273 1.00 0.00 C ATOM 1239 CG GLU A 77 11.303 -6.313 -3.317 1.00 0.00 C ATOM 1240 CD GLU A 77 11.648 -5.246 -4.335 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.629 -4.050 -3.980 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.962 -5.606 -5.489 1.00 0.00 O ATOM 0 H GLU A 77 13.542 -5.686 0.438 1.00 0.00 H new ATOM 0 HA GLU A 77 12.706 -4.353 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.345 -6.662 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.182 -7.332 -1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.149 -7.265 -3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.364 -6.058 -2.825 1.00 0.00 H new ATOM 1249 N TYR A 78 10.370 -4.275 -0.984 1.00 0.00 N ATOM 1250 CA TYR A 78 9.157 -4.070 -0.219 1.00 0.00 C ATOM 1251 C TYR A 78 7.935 -4.327 -1.089 1.00 0.00 C ATOM 1252 O TYR A 78 8.000 -4.257 -2.314 1.00 0.00 O ATOM 1253 CB TYR A 78 9.085 -2.658 0.410 1.00 0.00 C ATOM 1254 CG TYR A 78 10.396 -2.107 0.960 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.546 -1.865 2.323 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.471 -1.812 0.128 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.726 -1.351 2.834 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.652 -1.303 0.634 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.773 -1.076 1.986 1.00 0.00 C ATOM 1260 OH TYR A 78 13.946 -0.568 2.495 1.00 0.00 O ATOM 0 H TYR A 78 10.405 -3.784 -1.877 1.00 0.00 H new ATOM 0 HA TYR A 78 9.171 -4.785 0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.709 -1.965 -0.342 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.354 -2.678 1.218 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.728 -2.082 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.381 -1.984 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.824 -1.167 3.894 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.476 -1.084 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 78 14.698 -0.859 1.938 1.00 0.00 H new ATOM 1270 N ALA A 79 6.830 -4.654 -0.442 1.00 0.00 N ATOM 1271 CA ALA A 79 5.595 -5.018 -1.149 1.00 0.00 C ATOM 1272 C ALA A 79 4.357 -4.485 -0.434 1.00 0.00 C ATOM 1273 O ALA A 79 4.437 -4.032 0.695 1.00 0.00 O ATOM 1274 CB ALA A 79 5.513 -6.528 -1.329 1.00 0.00 C ATOM 0 H ALA A 79 6.754 -4.678 0.575 1.00 0.00 H new ATOM 0 HA ALA A 79 5.624 -4.551 -2.134 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.592 -6.782 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.369 -6.872 -1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.519 -7.012 -0.352 1.00 0.00 H new ATOM 1280 N CYS A 80 3.228 -4.475 -1.125 1.00 0.00 N ATOM 1281 CA CYS A 80 1.959 -4.049 -0.543 1.00 0.00 C ATOM 1282 C CYS A 80 0.970 -5.218 -0.515 1.00 0.00 C ATOM 1283 O CYS A 80 0.793 -5.900 -1.523 1.00 0.00 O ATOM 1284 CB CYS A 80 1.371 -2.905 -1.372 1.00 0.00 C ATOM 1285 SG CYS A 80 1.746 -1.244 -0.730 1.00 0.00 S ATOM 0 H CYS A 80 3.162 -4.760 -2.102 1.00 0.00 H new ATOM 0 HA CYS A 80 2.137 -3.709 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.747 -2.981 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.289 -3.027 -1.421 1.00 0.00 H new ATOM 1290 N ARG A 81 0.339 -5.444 0.631 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.658 -6.504 0.776 1.00 0.00 C ATOM 1292 C ARG A 81 -2.010 -5.908 1.143 1.00 0.00 C ATOM 1293 O ARG A 81 -2.072 -4.988 1.951 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.262 -7.461 1.898 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.968 -8.808 1.841 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.911 -9.530 3.183 1.00 0.00 C ATOM 1297 NE ARG A 81 0.446 -9.667 3.703 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.113 -10.821 3.754 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.550 -11.943 3.319 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.331 -10.859 4.271 1.00 0.00 N ATOM 0 H ARG A 81 0.500 -4.904 1.481 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.715 -7.035 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.815 -7.625 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.478 -6.990 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.008 -8.662 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.506 -9.429 1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.518 -8.986 3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.354 -10.520 3.075 1.00 0.00 H new ATOM 0 HE ARG A 81 0.913 -8.829 4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.398 -11.925 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.066 -12.822 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.759 -10.006 4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.841 -11.741 4.310 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.089 -6.427 0.570 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.424 -6.037 1.016 1.00 0.00 C ATOM 1316 C VAL A 82 -5.318 -7.256 1.167 1.00 0.00 C ATOM 1317 O VAL A 82 -5.227 -8.221 0.403 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.111 -5.014 0.084 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.120 -3.995 -0.401 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.814 -5.687 -1.079 1.00 0.00 C ATOM 0 H VAL A 82 -3.070 -7.106 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.282 -5.551 1.981 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.878 -4.503 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.622 -3.283 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.695 -3.466 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.323 -4.495 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.283 -4.930 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.088 -6.249 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.577 -6.366 -0.699 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.153 -7.207 2.176 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.106 -8.266 2.440 1.00 0.00 C ATOM 1332 C ASN A 83 -8.523 -7.740 2.320 1.00 0.00 C ATOM 1333 O ASN A 83 -8.876 -6.755 2.969 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.916 -8.836 3.857 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.499 -9.302 4.145 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.192 -10.487 4.062 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.622 -8.371 4.485 1.00 0.00 N ATOM 0 H ASN A 83 -6.194 -6.433 2.839 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.935 -9.054 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.193 -8.074 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.599 -9.674 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.656 -8.630 4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.912 -7.395 4.544 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.332 -8.378 1.485 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.736 -8.051 1.401 1.00 0.00 C ATOM 1346 C HIS A 84 -11.496 -9.290 0.965 1.00 0.00 C ATOM 1347 O HIS A 84 -10.903 -10.218 0.421 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.963 -6.915 0.410 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.207 -6.138 0.694 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.341 -6.303 -0.059 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.442 -5.213 1.660 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.240 -5.482 0.457 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.739 -4.804 1.498 1.00 0.00 N ATOM 0 H HIS A 84 -9.033 -9.125 0.858 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.094 -7.721 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.106 -6.242 0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.018 -7.325 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.744 -4.868 2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.249 -5.372 0.087 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.231 -4.113 2.064 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.801 -9.299 1.200 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.625 -10.464 0.907 1.00 0.00 C ATOM 1363 C VAL A 85 -13.728 -10.719 -0.593 1.00 0.00 C ATOM 1364 O VAL A 85 -14.080 -11.820 -1.018 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.050 -10.317 1.490 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.996 -10.133 2.999 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.796 -9.162 0.834 1.00 0.00 C ATOM 0 H VAL A 85 -13.313 -8.510 1.594 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.131 -11.313 1.380 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.597 -11.235 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.009 -10.031 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.517 -11.000 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.424 -9.236 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.795 -9.083 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.252 -8.233 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.876 -9.342 -0.238 1.00 0.00 H new ATOM 1377 N THR A 86 -13.443 -9.700 -1.397 1.00 0.00 N ATOM 1378 CA THR A 86 -13.559 -9.831 -2.839 1.00 0.00 C ATOM 1379 C THR A 86 -12.378 -10.592 -3.416 1.00 0.00 C ATOM 1380 O THR A 86 -12.517 -11.356 -4.375 1.00 0.00 O ATOM 1381 CB THR A 86 -13.625 -8.453 -3.517 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.357 -7.799 -3.405 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.684 -7.582 -2.875 1.00 0.00 C ATOM 0 H THR A 86 -13.133 -8.783 -1.075 1.00 0.00 H new ATOM 0 HA THR A 86 -14.480 -10.380 -3.033 1.00 0.00 H new ATOM 0 HB THR A 86 -13.880 -8.604 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.800 -8.031 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.710 -6.613 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.657 -8.064 -2.968 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.449 -7.441 -1.820 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.212 -10.363 -2.836 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.011 -11.023 -3.280 1.00 0.00 C ATOM 1393 C LEU A 87 -9.978 -12.423 -2.695 1.00 0.00 C ATOM 1394 O LEU A 87 -9.873 -12.589 -1.479 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.763 -10.232 -2.863 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.645 -8.833 -3.473 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.299 -8.206 -3.135 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.845 -8.893 -4.981 1.00 0.00 C ATOM 0 H LEU A 87 -11.079 -9.721 -2.054 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.012 -11.080 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.757 -10.139 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.879 -10.807 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.427 -8.206 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.239 -7.212 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.196 -8.126 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.497 -8.830 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.758 -7.890 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.086 -9.538 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.835 -9.294 -5.201 1.00 0.00 H new ATOM 1410 N SER A 88 -10.090 -13.425 -3.558 1.00 0.00 N ATOM 1411 CA SER A 88 -10.136 -14.810 -3.115 1.00 0.00 C ATOM 1412 C SER A 88 -8.822 -15.192 -2.433 1.00 0.00 C ATOM 1413 O SER A 88 -8.744 -16.178 -1.696 1.00 0.00 O ATOM 1414 CB SER A 88 -10.440 -15.731 -4.301 1.00 0.00 C ATOM 1415 OG SER A 88 -9.444 -15.626 -5.305 1.00 0.00 O ATOM 0 H SER A 88 -10.151 -13.303 -4.569 1.00 0.00 H new ATOM 0 HA SER A 88 -10.936 -14.927 -2.384 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.503 -16.763 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.412 -15.476 -4.722 1.00 0.00 H new ATOM 0 HG SER A 88 -9.664 -16.226 -6.048 1.00 0.00 H new ATOM 1421 N GLN A 89 -7.795 -14.386 -2.680 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.508 -14.500 -2.021 1.00 0.00 C ATOM 1423 C GLN A 89 -6.018 -13.071 -1.783 1.00 0.00 C ATOM 1424 O GLN A 89 -5.987 -12.296 -2.742 1.00 0.00 O ATOM 1425 CB GLN A 89 -5.492 -15.212 -2.928 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.042 -16.410 -3.694 1.00 0.00 C ATOM 1427 CD GLN A 89 -5.203 -16.759 -4.908 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -3.994 -16.532 -4.930 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -5.834 -17.331 -5.919 1.00 0.00 N ATOM 0 H GLN A 89 -7.839 -13.624 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.606 -15.071 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.099 -14.491 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.653 -15.544 -2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.088 -17.272 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.063 -16.197 -4.011 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.838 -17.502 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.317 -17.601 -6.756 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.684 -12.659 -0.533 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.100 -11.330 -0.285 1.00 0.00 C ATOM 1440 C PRO A 90 -4.028 -10.970 -1.289 1.00 0.00 C ATOM 1441 O PRO A 90 -3.178 -11.789 -1.640 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.500 -11.484 1.095 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.477 -12.359 1.780 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.872 -13.397 0.742 1.00 0.00 C ATOM 0 HA PRO A 90 -5.838 -10.532 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.509 -11.936 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.393 -10.524 1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.037 -12.828 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.343 -11.792 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.242 -14.285 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.902 -13.729 0.871 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.066 -9.737 -1.731 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.284 -9.326 -2.862 1.00 0.00 C ATOM 1454 C LYS A 91 -1.972 -8.715 -2.437 1.00 0.00 C ATOM 1455 O LYS A 91 -1.935 -7.818 -1.598 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.058 -8.327 -3.702 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.455 -8.146 -5.069 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.523 -9.441 -5.854 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.961 -9.864 -6.125 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.036 -11.135 -6.892 1.00 0.00 N ATOM 0 H LYS A 91 -4.636 -8.999 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.072 -10.216 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.090 -8.663 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.084 -7.366 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.986 -7.360 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.418 -7.824 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.995 -9.321 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.011 -10.228 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.488 -9.981 -5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.472 -9.076 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.033 -11.385 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.556 -11.017 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.572 -11.894 -6.353 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.905 -9.212 -3.020 1.00 0.00 N ATOM 1475 CA ILE A 92 0.410 -8.642 -2.814 1.00 0.00 C ATOM 1476 C ILE A 92 0.941 -8.091 -4.123 1.00 0.00 C ATOM 1477 O ILE A 92 0.916 -8.765 -5.152 1.00 0.00 O ATOM 1478 CB ILE A 92 1.444 -9.654 -2.264 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.085 -10.125 -0.849 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.841 -9.041 -2.271 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.031 -11.142 -0.791 1.00 0.00 C ATOM 0 H ILE A 92 -0.922 -10.017 -3.646 1.00 0.00 H new ATOM 0 HA ILE A 92 0.284 -7.857 -2.068 1.00 0.00 H new ATOM 0 HB ILE A 92 1.428 -10.525 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.974 -10.553 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.801 -9.258 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.558 -9.764 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.115 -8.772 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.850 -8.148 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.218 -11.418 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.936 -10.714 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.255 -12.029 -1.357 1.00 0.00 H new ATOM 1493 N VAL A 93 1.405 -6.865 -4.072 1.00 0.00 N ATOM 1494 CA VAL A 93 2.068 -6.246 -5.197 1.00 0.00 C ATOM 1495 C VAL A 93 3.402 -5.697 -4.729 1.00 0.00 C ATOM 1496 O VAL A 93 3.471 -4.972 -3.739 1.00 0.00 O ATOM 1497 CB VAL A 93 1.221 -5.119 -5.824 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.985 -4.414 -6.936 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.090 -5.678 -6.357 1.00 0.00 C ATOM 0 H VAL A 93 1.334 -6.267 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 93 2.214 -7.000 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 93 1.003 -4.387 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.364 -3.625 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.899 -3.979 -6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.240 -5.133 -7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.677 -4.872 -6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.118 -6.431 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.651 -6.132 -5.540 1.00 0.00 H new ATOM 1509 N LYS A 94 4.450 -6.061 -5.432 1.00 0.00 N ATOM 1510 CA LYS A 94 5.785 -5.644 -5.057 1.00 0.00 C ATOM 1511 C LYS A 94 6.045 -4.225 -5.525 1.00 0.00 C ATOM 1512 O LYS A 94 5.586 -3.823 -6.597 1.00 0.00 O ATOM 1513 CB LYS A 94 6.838 -6.564 -5.643 1.00 0.00 C ATOM 1514 CG LYS A 94 6.978 -7.899 -4.940 1.00 0.00 C ATOM 1515 CD LYS A 94 8.180 -8.648 -5.483 1.00 0.00 C ATOM 1516 CE LYS A 94 8.573 -9.823 -4.606 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.540 -10.894 -4.605 1.00 0.00 N ATOM 0 H LYS A 94 4.406 -6.645 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 94 5.849 -5.691 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.600 -6.745 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.801 -6.054 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.090 -7.744 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.075 -8.492 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.958 -9.006 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.024 -7.963 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.520 -10.234 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.734 -9.475 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.851 -11.676 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.642 -10.510 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.404 -11.246 -5.574 1.00 0.00 H new ATOM 1531 N TRP A 95 6.783 -3.478 -4.728 1.00 0.00 N ATOM 1532 CA TRP A 95 7.169 -2.142 -5.098 1.00 0.00 C ATOM 1533 C TRP A 95 8.421 -2.216 -5.949 1.00 0.00 C ATOM 1534 O TRP A 95 9.319 -3.007 -5.669 1.00 0.00 O ATOM 1535 CB TRP A 95 7.448 -1.289 -3.854 1.00 0.00 C ATOM 1536 CG TRP A 95 7.899 0.091 -4.211 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.136 1.106 -4.717 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.231 0.595 -4.111 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.925 2.207 -4.952 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.211 1.916 -4.583 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.441 0.053 -3.667 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.355 2.705 -4.629 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.576 0.837 -3.706 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.526 2.154 -4.188 1.00 0.00 C ATOM 0 H TRP A 95 7.126 -3.781 -3.816 1.00 0.00 H new ATOM 0 HA TRP A 95 6.355 -1.679 -5.655 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.546 -1.229 -3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.211 -1.774 -3.246 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.074 1.051 -4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.605 3.095 -5.338 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.487 -0.962 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.320 3.719 -5.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.516 0.431 -3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.430 2.744 -4.211 1.00 0.00 H new ATOM 1555 N ASP A 96 8.485 -1.407 -6.985 1.00 0.00 N ATOM 1556 CA ASP A 96 9.684 -1.370 -7.808 1.00 0.00 C ATOM 1557 C ASP A 96 9.914 0.009 -8.371 1.00 0.00 C ATOM 1558 O ASP A 96 9.022 0.858 -8.385 1.00 0.00 O ATOM 1559 CB ASP A 96 9.650 -2.386 -8.951 1.00 0.00 C ATOM 1560 CG ASP A 96 11.025 -2.956 -9.215 1.00 0.00 C ATOM 1561 OD1 ASP A 96 11.925 -2.182 -9.630 1.00 0.00 O ATOM 1562 OD2 ASP A 96 11.220 -4.169 -9.011 1.00 0.00 O ATOM 0 H ASP A 96 7.739 -0.776 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 96 10.509 -1.638 -7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.960 -3.193 -8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.271 -1.908 -9.855 1.00 0.00 H new ATOM 1567 N ARG A 97 11.125 0.205 -8.831 1.00 0.00 N ATOM 1568 CA ARG A 97 11.560 1.454 -9.394 1.00 0.00 C ATOM 1569 C ARG A 97 11.970 1.259 -10.849 1.00 0.00 C ATOM 1570 O ARG A 97 11.812 2.159 -11.673 1.00 0.00 O ATOM 1571 CB ARG A 97 12.745 2.004 -8.591 1.00 0.00 C ATOM 1572 CG ARG A 97 13.852 0.965 -8.276 1.00 0.00 C ATOM 1573 CD ARG A 97 13.574 0.075 -7.046 1.00 0.00 C ATOM 1574 NE ARG A 97 13.375 -1.335 -7.396 1.00 0.00 N ATOM 1575 CZ ARG A 97 13.041 -2.282 -6.507 1.00 0.00 C ATOM 1576 NH1 ARG A 97 12.895 -1.982 -5.226 1.00 0.00 N ATOM 1577 NH2 ARG A 97 12.849 -3.530 -6.900 1.00 0.00 N ATOM 0 H ARG A 97 11.848 -0.515 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 97 10.736 2.166 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 97 13.189 2.831 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 97 12.372 2.413 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.988 0.324 -9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.792 1.493 -8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.408 0.157 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.688 0.444 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 97 13.497 -1.611 -8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.037 -1.023 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.641 -2.709 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.955 -3.777 -7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.595 -4.246 -6.219 1.00 0.00 H new ATOM 1591 N ASP A 98 12.492 0.075 -11.166 1.00 0.00 N ATOM 1592 CA ASP A 98 13.022 -0.182 -12.497 1.00 0.00 C ATOM 1593 C ASP A 98 12.267 -1.306 -13.167 1.00 0.00 C ATOM 1594 O ASP A 98 12.273 -1.434 -14.392 1.00 0.00 O ATOM 1595 CB ASP A 98 14.504 -0.558 -12.421 1.00 0.00 C ATOM 1596 CG ASP A 98 15.365 0.545 -11.850 1.00 0.00 C ATOM 1597 OD1 ASP A 98 15.866 0.390 -10.715 1.00 0.00 O ATOM 1598 OD2 ASP A 98 15.549 1.571 -12.532 1.00 0.00 O ATOM 0 H ASP A 98 12.558 -0.714 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 98 12.905 0.731 -13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.615 -1.452 -11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.861 -0.810 -13.420 1.00 0.00 H new ATOM 1603 N MET A 99 11.619 -2.120 -12.359 1.00 0.00 N ATOM 1604 CA MET A 99 10.999 -3.338 -12.858 1.00 0.00 C ATOM 1605 C MET A 99 9.483 -3.254 -12.739 1.00 0.00 C ATOM 1606 CB MET A 99 11.527 -4.538 -12.070 1.00 0.00 C ATOM 1607 CG MET A 99 12.980 -4.386 -11.647 1.00 0.00 C ATOM 1608 SD MET A 99 14.134 -4.520 -13.027 1.00 0.00 S ATOM 1609 CE MET A 99 13.826 -6.203 -13.548 1.00 0.00 C ATOM 0 H MET A 99 11.506 -1.964 -11.357 1.00 0.00 H new ATOM 0 HA MET A 99 11.251 -3.459 -13.911 1.00 0.00 H new ATOM 0 HB2 MET A 99 10.910 -4.681 -11.183 1.00 0.00 H new ATOM 0 HB3 MET A 99 11.425 -5.437 -12.678 1.00 0.00 H new ATOM 0 HG2 MET A 99 13.112 -3.419 -11.163 1.00 0.00 H new ATOM 0 HG3 MET A 99 13.219 -5.149 -10.906 1.00 0.00 H new ATOM 0 HE1 MET A 99 14.701 -6.588 -14.072 1.00 0.00 H new ATOM 0 HE2 MET A 99 13.625 -6.823 -12.675 1.00 0.00 H new ATOM 0 HE3 MET A 99 12.964 -6.225 -14.215 1.00 0.00 H new TER 1619 MET A 99