USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 740 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 73:sc= 0.577 USER MOD Set 1.3: A 49 SER OG : rot -17:sc= 0.811 USER MOD Set 1.4: A 105 GLN : amide:sc= 1.19 K(o=2.6,f=-5.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 18:sc= 0.305! USER MOD Single : A 44 ASN :FLIP amide:sc= -1.15 F(o=-3,f=-1.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 SER OG : rot 159:sc= -0.446 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 69 TYR OH : rot 156:sc= -0.273 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 174:sc= -3.61! (180deg=-3.81!) USER MOD Single : A 91 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-3.7!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.81! C(o=-7.2!,f=-2.8!) USER MOD Single : A 108 MET CE :methyl 164:sc=-0.00484 (180deg=-0.148) USER MOD Single : A 110 HIS :FLIP no HD1:sc= -0.0412 F(o=-1,f=-0.041) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -146:sc= -0.0296 (180deg=-0.964) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 1:sc= 1.05 USER MOD Single : A 127 SER OG : rot 180:sc=-0.00487 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -16.940 29.408 1.288 1.00 0.00 N ATOM 2 CA GLY A 30 -15.602 29.960 1.390 1.00 0.00 C ATOM 3 C GLY A 30 -14.737 29.608 0.196 1.00 0.00 C ATOM 4 O GLY A 30 -15.235 29.117 -0.816 1.00 0.00 O ATOM 0 HA2 GLY A 30 -15.666 31.044 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.128 29.591 2.299 1.00 0.00 H new ATOM 8 N SER A 31 -13.437 29.861 0.314 1.00 0.00 N ATOM 9 CA SER A 31 -12.502 29.573 -0.766 1.00 0.00 C ATOM 10 C SER A 31 -12.636 28.126 -1.230 1.00 0.00 C ATOM 11 O SER A 31 -12.386 27.192 -0.468 1.00 0.00 O ATOM 12 CB SER A 31 -11.066 29.843 -0.312 1.00 0.00 C ATOM 13 OG SER A 31 -10.734 31.213 -0.459 1.00 0.00 O ATOM 0 H SER A 31 -13.008 30.265 1.147 1.00 0.00 H new ATOM 0 HA SER A 31 -12.741 30.229 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.949 29.547 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.376 29.234 -0.896 1.00 0.00 H new ATOM 0 HG SER A 31 -9.812 31.360 -0.161 1.00 0.00 H new ATOM 19 N SER A 32 -13.034 27.948 -2.486 1.00 0.00 N ATOM 20 CA SER A 32 -13.207 26.615 -3.051 1.00 0.00 C ATOM 21 C SER A 32 -11.879 26.068 -3.567 1.00 0.00 C ATOM 22 O SER A 32 -10.904 26.804 -3.707 1.00 0.00 O ATOM 23 CB SER A 32 -14.233 26.648 -4.186 1.00 0.00 C ATOM 24 OG SER A 32 -13.777 27.448 -5.263 1.00 0.00 O ATOM 0 H SER A 32 -13.243 28.710 -3.131 1.00 0.00 H new ATOM 0 HA SER A 32 -13.570 25.957 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.424 25.634 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.180 27.040 -3.813 1.00 0.00 H new ATOM 0 HG SER A 32 -14.450 27.451 -5.976 1.00 0.00 H new ATOM 30 N GLY A 33 -11.851 24.769 -3.849 1.00 0.00 N ATOM 31 CA GLY A 33 -10.639 24.143 -4.346 1.00 0.00 C ATOM 32 C GLY A 33 -9.439 24.423 -3.463 1.00 0.00 C ATOM 33 O GLY A 33 -8.638 25.310 -3.756 1.00 0.00 O ATOM 0 H GLY A 33 -12.646 24.139 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.792 23.066 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.436 24.502 -5.355 1.00 0.00 H new ATOM 37 N SER A 34 -9.315 23.665 -2.379 1.00 0.00 N ATOM 38 CA SER A 34 -8.206 23.839 -1.447 1.00 0.00 C ATOM 39 C SER A 34 -7.253 22.649 -1.509 1.00 0.00 C ATOM 40 O SER A 34 -7.465 21.635 -0.844 1.00 0.00 O ATOM 41 CB SER A 34 -8.733 24.012 -0.021 1.00 0.00 C ATOM 42 OG SER A 34 -9.320 25.290 0.154 1.00 0.00 O ATOM 0 H SER A 34 -9.968 22.924 -2.124 1.00 0.00 H new ATOM 0 HA SER A 34 -7.658 24.736 -1.735 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.469 23.238 0.194 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.917 23.883 0.690 1.00 0.00 H new ATOM 0 HG SER A 34 -9.651 25.375 1.073 1.00 0.00 H new ATOM 48 N SER A 35 -6.202 22.781 -2.312 1.00 0.00 N ATOM 49 CA SER A 35 -5.218 21.716 -2.464 1.00 0.00 C ATOM 50 C SER A 35 -3.841 22.178 -1.997 1.00 0.00 C ATOM 51 O SER A 35 -3.578 23.376 -1.894 1.00 0.00 O ATOM 52 CB SER A 35 -5.147 21.263 -3.924 1.00 0.00 C ATOM 53 OG SER A 35 -6.180 20.339 -4.221 1.00 0.00 O ATOM 0 H SER A 35 -6.010 23.615 -2.867 1.00 0.00 H new ATOM 0 HA SER A 35 -5.530 20.876 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.229 22.129 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.177 20.805 -4.119 1.00 0.00 H new ATOM 0 HG SER A 35 -6.115 20.066 -5.160 1.00 0.00 H new ATOM 59 N GLY A 36 -2.966 21.218 -1.714 1.00 0.00 N ATOM 60 CA GLY A 36 -1.627 21.545 -1.260 1.00 0.00 C ATOM 61 C GLY A 36 -0.831 20.316 -0.868 1.00 0.00 C ATOM 62 O GLY A 36 0.276 20.102 -1.361 1.00 0.00 O ATOM 0 H GLY A 36 -3.161 20.220 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.099 22.079 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.691 22.220 -0.407 1.00 0.00 H new ATOM 66 N SER A 37 -1.395 19.508 0.023 1.00 0.00 N ATOM 67 CA SER A 37 -0.728 18.296 0.486 1.00 0.00 C ATOM 68 C SER A 37 -1.428 17.052 -0.052 1.00 0.00 C ATOM 69 O SER A 37 -2.637 16.890 0.102 1.00 0.00 O ATOM 70 CB SER A 37 -0.699 18.257 2.015 1.00 0.00 C ATOM 71 OG SER A 37 -1.973 17.927 2.541 1.00 0.00 O ATOM 0 H SER A 37 -2.312 19.670 0.439 1.00 0.00 H new ATOM 0 HA SER A 37 0.295 18.308 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.037 17.525 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.383 19.226 2.401 1.00 0.00 H new ATOM 0 HG SER A 37 -2.524 17.525 1.837 1.00 0.00 H new ATOM 77 N GLY A 38 -0.656 16.174 -0.687 1.00 0.00 N ATOM 78 CA GLY A 38 -1.217 14.956 -1.239 1.00 0.00 C ATOM 79 C GLY A 38 -0.825 13.725 -0.446 1.00 0.00 C ATOM 80 O GLY A 38 -0.476 12.693 -1.019 1.00 0.00 O ATOM 0 H GLY A 38 0.348 16.286 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.304 15.038 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.884 14.841 -2.270 1.00 0.00 H new ATOM 84 N ARG A 39 -0.882 13.833 0.878 1.00 0.00 N ATOM 85 CA ARG A 39 -0.527 12.721 1.751 1.00 0.00 C ATOM 86 C ARG A 39 -1.669 11.712 1.837 1.00 0.00 C ATOM 87 O ARG A 39 -2.832 12.086 1.993 1.00 0.00 O ATOM 88 CB ARG A 39 -0.179 13.234 3.150 1.00 0.00 C ATOM 89 CG ARG A 39 0.256 12.139 4.110 1.00 0.00 C ATOM 90 CD ARG A 39 0.912 12.717 5.354 1.00 0.00 C ATOM 91 NE ARG A 39 1.055 11.719 6.411 1.00 0.00 N ATOM 92 CZ ARG A 39 1.619 11.970 7.587 1.00 0.00 C ATOM 93 NH1 ARG A 39 2.090 13.181 7.855 1.00 0.00 N ATOM 94 NH2 ARG A 39 1.713 11.010 8.498 1.00 0.00 N ATOM 0 H ARG A 39 -1.171 14.679 1.369 1.00 0.00 H new ATOM 0 HA ARG A 39 0.345 12.223 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.619 13.972 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.046 13.746 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.609 11.541 4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.954 11.469 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.894 13.114 5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.317 13.553 5.723 1.00 0.00 H new ATOM 0 HE ARG A 39 0.702 10.778 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.019 13.922 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.523 13.371 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.352 10.078 8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.146 11.204 9.401 1.00 0.00 H new ATOM 108 N LEU A 40 -1.328 10.432 1.735 1.00 0.00 N ATOM 109 CA LEU A 40 -2.324 9.368 1.801 1.00 0.00 C ATOM 110 C LEU A 40 -1.866 8.250 2.732 1.00 0.00 C ATOM 111 O LEU A 40 -0.676 7.945 2.814 1.00 0.00 O ATOM 112 CB LEU A 40 -2.592 8.806 0.404 1.00 0.00 C ATOM 113 CG LEU A 40 -3.130 9.799 -0.627 1.00 0.00 C ATOM 114 CD1 LEU A 40 -2.937 9.262 -2.037 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.599 10.097 -0.365 1.00 0.00 C ATOM 0 H LEU A 40 -0.370 10.106 1.606 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.246 9.792 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.664 8.382 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.304 7.986 0.495 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.569 10.729 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.326 9.982 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.875 9.100 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.472 8.318 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.965 10.805 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.175 9.174 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.711 10.526 0.631 1.00 0.00 H new ATOM 127 N PHE A 41 -2.819 7.642 3.431 1.00 0.00 N ATOM 128 CA PHE A 41 -2.513 6.556 4.355 1.00 0.00 C ATOM 129 C PHE A 41 -2.675 5.200 3.674 1.00 0.00 C ATOM 130 O PHE A 41 -3.685 4.937 3.022 1.00 0.00 O ATOM 131 CB PHE A 41 -3.421 6.634 5.584 1.00 0.00 C ATOM 132 CG PHE A 41 -3.048 5.663 6.668 1.00 0.00 C ATOM 133 CD1 PHE A 41 -1.724 5.498 7.041 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.020 4.917 7.313 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.376 4.606 8.039 1.00 0.00 C ATOM 136 CE2 PHE A 41 -3.679 4.024 8.312 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.355 3.868 8.674 1.00 0.00 C ATOM 0 H PHE A 41 -3.809 7.883 3.375 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.475 6.662 4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.388 7.646 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.450 6.447 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.955 6.073 6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.056 5.034 7.033 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.340 4.487 8.321 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.447 3.449 8.809 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.086 3.170 9.453 1.00 0.00 H new ATOM 147 N VAL A 42 -1.671 4.343 3.831 1.00 0.00 N ATOM 148 CA VAL A 42 -1.700 3.014 3.232 1.00 0.00 C ATOM 149 C VAL A 42 -1.286 1.948 4.240 1.00 0.00 C ATOM 150 O VAL A 42 -0.455 2.195 5.114 1.00 0.00 O ATOM 151 CB VAL A 42 -0.775 2.931 2.004 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.015 1.638 1.240 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.978 4.138 1.101 1.00 0.00 C ATOM 0 H VAL A 42 -0.828 4.545 4.368 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.727 2.832 2.916 1.00 0.00 H new ATOM 0 HB VAL A 42 0.259 2.934 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.352 1.598 0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.814 0.788 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.051 1.601 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.316 4.062 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.014 4.169 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.750 5.049 1.654 1.00 0.00 H new ATOM 163 N ARG A 43 -1.870 0.761 4.112 1.00 0.00 N ATOM 164 CA ARG A 43 -1.562 -0.343 5.012 1.00 0.00 C ATOM 165 C ARG A 43 -1.697 -1.683 4.295 1.00 0.00 C ATOM 166 O ARG A 43 -2.033 -1.735 3.113 1.00 0.00 O ATOM 167 CB ARG A 43 -2.487 -0.309 6.231 1.00 0.00 C ATOM 168 CG ARG A 43 -3.965 -0.344 5.875 1.00 0.00 C ATOM 169 CD ARG A 43 -4.811 0.328 6.944 1.00 0.00 C ATOM 170 NE ARG A 43 -6.211 -0.079 6.871 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.666 -1.236 7.340 1.00 0.00 C ATOM 172 NH1 ARG A 43 -5.835 -2.095 7.914 1.00 0.00 N ATOM 173 NH2 ARG A 43 -7.954 -1.536 7.236 1.00 0.00 N ATOM 0 H ARG A 43 -2.559 0.540 3.393 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.530 -0.231 5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.257 -1.158 6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.282 0.593 6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.122 0.155 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.286 -1.378 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.413 0.082 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.742 1.410 6.833 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.877 0.560 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.844 -1.868 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.187 -2.982 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.597 -0.878 6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.301 -2.425 7.597 1.00 0.00 H new ATOM 187 N ASN A 44 -1.432 -2.766 5.020 1.00 0.00 N ATOM 188 CA ASN A 44 -1.523 -4.106 4.452 1.00 0.00 C ATOM 189 C ASN A 44 -0.476 -4.307 3.361 1.00 0.00 C ATOM 190 O ASN A 44 -0.799 -4.706 2.241 1.00 0.00 O ATOM 191 CB ASN A 44 -2.922 -4.348 3.883 1.00 0.00 C ATOM 192 CG ASN A 44 -3.247 -5.824 3.754 1.00 0.00 C ATOM 193 OD1 ASN A 44 -2.858 -6.419 2.632 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -3.840 -6.421 4.652 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.153 -2.741 6.001 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.333 -4.825 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.661 -3.871 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.000 -3.875 2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.120 -5.923 5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.052 -7.414 4.551 1.00 0.00 H new ATOM 201 N LEU A 45 0.780 -4.029 3.695 1.00 0.00 N ATOM 202 CA LEU A 45 1.876 -4.179 2.744 1.00 0.00 C ATOM 203 C LEU A 45 2.625 -5.487 2.979 1.00 0.00 C ATOM 204 O LEU A 45 3.204 -5.700 4.044 1.00 0.00 O ATOM 205 CB LEU A 45 2.841 -2.998 2.857 1.00 0.00 C ATOM 206 CG LEU A 45 2.442 -1.731 2.100 1.00 0.00 C ATOM 207 CD1 LEU A 45 1.917 -2.079 0.716 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.402 -0.945 2.885 1.00 0.00 C ATOM 0 H LEU A 45 1.064 -3.699 4.617 1.00 0.00 H new ATOM 0 HA LEU A 45 1.453 -4.199 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.954 -2.747 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.819 -3.318 2.499 1.00 0.00 H new ATOM 0 HG LEU A 45 3.328 -1.107 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.638 -1.165 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.693 -2.598 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.044 -2.724 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.130 -0.047 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.516 -1.562 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.814 -0.663 3.854 1.00 0.00 H new ATOM 220 N SER A 46 2.611 -6.360 1.976 1.00 0.00 N ATOM 221 CA SER A 46 3.287 -7.648 2.074 1.00 0.00 C ATOM 222 C SER A 46 4.733 -7.469 2.528 1.00 0.00 C ATOM 223 O SER A 46 5.495 -6.711 1.926 1.00 0.00 O ATOM 224 CB SER A 46 3.250 -8.371 0.726 1.00 0.00 C ATOM 225 OG SER A 46 3.273 -9.777 0.902 1.00 0.00 O ATOM 0 H SER A 46 2.139 -6.198 1.086 1.00 0.00 H new ATOM 0 HA SER A 46 2.763 -8.250 2.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.351 -8.084 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.103 -8.063 0.121 1.00 0.00 H new ATOM 0 HG SER A 46 3.247 -10.217 0.027 1.00 0.00 H new ATOM 231 N TYR A 47 5.103 -8.171 3.592 1.00 0.00 N ATOM 232 CA TYR A 47 6.456 -8.089 4.130 1.00 0.00 C ATOM 233 C TYR A 47 7.490 -8.403 3.052 1.00 0.00 C ATOM 234 O TYR A 47 8.616 -7.907 3.091 1.00 0.00 O ATOM 235 CB TYR A 47 6.620 -9.053 5.306 1.00 0.00 C ATOM 236 CG TYR A 47 5.347 -9.270 6.093 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.684 -8.203 6.687 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.807 -10.541 6.241 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.522 -8.396 7.408 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.644 -10.744 6.959 1.00 0.00 C ATOM 241 CZ TYR A 47 3.005 -9.668 7.541 1.00 0.00 C ATOM 242 OH TYR A 47 1.847 -9.865 8.257 1.00 0.00 O ATOM 0 H TYR A 47 4.485 -8.804 4.100 1.00 0.00 H new ATOM 0 HA TYR A 47 6.619 -7.070 4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.974 -10.013 4.931 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.390 -8.669 5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.084 -7.205 6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.305 -11.385 5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.021 -7.556 7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.237 -11.739 7.064 1.00 0.00 H new ATOM 0 HH TYR A 47 1.618 -10.818 8.253 1.00 0.00 H new ATOM 252 N THR A 48 7.098 -9.232 2.089 1.00 0.00 N ATOM 253 CA THR A 48 7.989 -9.614 1.001 1.00 0.00 C ATOM 254 C THR A 48 8.348 -8.411 0.136 1.00 0.00 C ATOM 255 O THR A 48 9.319 -8.445 -0.619 1.00 0.00 O ATOM 256 CB THR A 48 7.355 -10.700 0.111 1.00 0.00 C ATOM 257 OG1 THR A 48 6.289 -10.140 -0.663 1.00 0.00 O ATOM 258 CG2 THR A 48 6.826 -11.850 0.956 1.00 0.00 C ATOM 0 H THR A 48 6.169 -9.651 2.041 1.00 0.00 H new ATOM 0 HA THR A 48 8.894 -10.012 1.459 1.00 0.00 H new ATOM 0 HB THR A 48 8.124 -11.085 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.661 -9.571 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.383 -12.605 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.646 -12.293 1.521 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.070 -11.476 1.647 1.00 0.00 H new ATOM 266 N SER A 49 7.558 -7.348 0.252 1.00 0.00 N ATOM 267 CA SER A 49 7.792 -6.134 -0.522 1.00 0.00 C ATOM 268 C SER A 49 8.804 -5.231 0.175 1.00 0.00 C ATOM 269 O SER A 49 8.944 -5.265 1.397 1.00 0.00 O ATOM 270 CB SER A 49 6.478 -5.379 -0.734 1.00 0.00 C ATOM 271 OG SER A 49 5.487 -6.225 -1.290 1.00 0.00 O ATOM 0 H SER A 49 6.751 -7.303 0.874 1.00 0.00 H new ATOM 0 HA SER A 49 8.198 -6.423 -1.491 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.127 -4.979 0.217 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.646 -4.528 -1.394 1.00 0.00 H new ATOM 0 HG SER A 49 5.913 -7.022 -1.670 1.00 0.00 H new ATOM 277 N SER A 50 9.509 -4.424 -0.612 1.00 0.00 N ATOM 278 CA SER A 50 10.512 -3.514 -0.072 1.00 0.00 C ATOM 279 C SER A 50 10.186 -2.069 -0.436 1.00 0.00 C ATOM 280 O SER A 50 9.390 -1.810 -1.338 1.00 0.00 O ATOM 281 CB SER A 50 11.901 -3.883 -0.596 1.00 0.00 C ATOM 282 OG SER A 50 12.905 -3.560 0.350 1.00 0.00 O ATOM 0 H SER A 50 9.404 -4.382 -1.626 1.00 0.00 H new ATOM 0 HA SER A 50 10.505 -3.608 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.937 -4.949 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.093 -3.355 -1.530 1.00 0.00 H new ATOM 0 HG SER A 50 13.783 -3.807 -0.008 1.00 0.00 H new ATOM 288 N GLU A 51 10.808 -1.132 0.273 1.00 0.00 N ATOM 289 CA GLU A 51 10.584 0.288 0.025 1.00 0.00 C ATOM 290 C GLU A 51 10.655 0.597 -1.467 1.00 0.00 C ATOM 291 O GLU A 51 9.956 1.481 -1.962 1.00 0.00 O ATOM 292 CB GLU A 51 11.613 1.129 0.782 1.00 0.00 C ATOM 293 CG GLU A 51 11.315 2.619 0.761 1.00 0.00 C ATOM 294 CD GLU A 51 12.548 3.464 1.017 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.243 3.810 0.038 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.819 3.779 2.194 1.00 0.00 O ATOM 0 H GLU A 51 11.470 -1.330 1.023 1.00 0.00 H new ATOM 0 HA GLU A 51 9.586 0.541 0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.656 0.790 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.599 0.958 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.890 2.887 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.561 2.846 1.515 1.00 0.00 H new ATOM 303 N GLU A 52 11.506 -0.137 -2.178 1.00 0.00 N ATOM 304 CA GLU A 52 11.670 0.061 -3.613 1.00 0.00 C ATOM 305 C GLU A 52 10.378 -0.262 -4.358 1.00 0.00 C ATOM 306 O GLU A 52 9.809 0.594 -5.035 1.00 0.00 O ATOM 307 CB GLU A 52 12.809 -0.812 -4.144 1.00 0.00 C ATOM 308 CG GLU A 52 13.183 -0.514 -5.586 1.00 0.00 C ATOM 309 CD GLU A 52 14.596 -0.948 -5.924 1.00 0.00 C ATOM 310 OE1 GLU A 52 15.001 -2.046 -5.489 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.298 -0.187 -6.623 1.00 0.00 O ATOM 0 H GLU A 52 12.092 -0.873 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 52 11.915 1.109 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.687 -0.672 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.521 -1.860 -4.061 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.483 -1.020 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.082 0.556 -5.770 1.00 0.00 H new ATOM 318 N ASP A 53 9.921 -1.502 -4.228 1.00 0.00 N ATOM 319 CA ASP A 53 8.696 -1.940 -4.888 1.00 0.00 C ATOM 320 C ASP A 53 7.599 -0.889 -4.748 1.00 0.00 C ATOM 321 O ASP A 53 6.956 -0.513 -5.729 1.00 0.00 O ATOM 322 CB ASP A 53 8.223 -3.270 -4.301 1.00 0.00 C ATOM 323 CG ASP A 53 9.265 -4.364 -4.430 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.220 -4.372 -3.625 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.126 -5.211 -5.336 1.00 0.00 O ATOM 0 H ASP A 53 10.380 -2.223 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 53 8.911 -2.076 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.975 -3.131 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.309 -3.582 -4.806 1.00 0.00 H new ATOM 330 N LEU A 54 7.390 -0.419 -3.523 1.00 0.00 N ATOM 331 CA LEU A 54 6.369 0.588 -3.254 1.00 0.00 C ATOM 332 C LEU A 54 6.565 1.812 -4.142 1.00 0.00 C ATOM 333 O LEU A 54 5.716 2.129 -4.975 1.00 0.00 O ATOM 334 CB LEU A 54 6.407 1.001 -1.782 1.00 0.00 C ATOM 335 CG LEU A 54 5.848 -0.016 -0.785 1.00 0.00 C ATOM 336 CD1 LEU A 54 6.021 0.484 0.640 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.382 -0.300 -1.079 1.00 0.00 C ATOM 0 H LEU A 54 7.914 -0.719 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 54 5.396 0.151 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.441 1.214 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.850 1.932 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 54 6.406 -0.946 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.618 -0.252 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.080 0.636 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.489 1.428 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.001 -1.025 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.809 0.624 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.284 -0.703 -2.087 1.00 0.00 H new ATOM 349 N GLU A 55 7.691 2.496 -3.960 1.00 0.00 N ATOM 350 CA GLU A 55 7.998 3.684 -4.746 1.00 0.00 C ATOM 351 C GLU A 55 7.511 3.527 -6.184 1.00 0.00 C ATOM 352 O GLU A 55 6.763 4.362 -6.693 1.00 0.00 O ATOM 353 CB GLU A 55 9.504 3.956 -4.734 1.00 0.00 C ATOM 354 CG GLU A 55 10.039 4.357 -3.369 1.00 0.00 C ATOM 355 CD GLU A 55 11.554 4.344 -3.310 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.171 3.544 -4.043 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.123 5.136 -2.529 1.00 0.00 O ATOM 0 H GLU A 55 8.405 2.247 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 55 7.479 4.530 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.029 3.063 -5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.728 4.747 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.678 5.355 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.644 3.677 -2.614 1.00 0.00 H new ATOM 364 N LYS A 56 7.940 2.450 -6.833 1.00 0.00 N ATOM 365 CA LYS A 56 7.549 2.181 -8.212 1.00 0.00 C ATOM 366 C LYS A 56 6.033 2.059 -8.333 1.00 0.00 C ATOM 367 O LYS A 56 5.401 2.785 -9.102 1.00 0.00 O ATOM 368 CB LYS A 56 8.215 0.897 -8.711 1.00 0.00 C ATOM 369 CG LYS A 56 9.602 1.118 -9.292 1.00 0.00 C ATOM 370 CD LYS A 56 10.236 -0.190 -9.735 1.00 0.00 C ATOM 371 CE LYS A 56 10.835 -0.945 -8.558 1.00 0.00 C ATOM 372 NZ LYS A 56 11.907 -1.885 -8.990 1.00 0.00 N ATOM 0 H LYS A 56 8.559 1.749 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 56 7.880 3.018 -8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.285 0.189 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.581 0.440 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.538 1.798 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.237 1.597 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.486 -0.812 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.013 0.012 -10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.243 -0.234 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.050 -1.500 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.290 -2.380 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.512 -2.580 -9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.668 -1.352 -9.457 1.00 0.00 H new ATOM 386 N LEU A 57 5.455 1.140 -7.568 1.00 0.00 N ATOM 387 CA LEU A 57 4.012 0.924 -7.588 1.00 0.00 C ATOM 388 C LEU A 57 3.266 2.248 -7.720 1.00 0.00 C ATOM 389 O LEU A 57 2.613 2.507 -8.731 1.00 0.00 O ATOM 390 CB LEU A 57 3.567 0.199 -6.317 1.00 0.00 C ATOM 391 CG LEU A 57 2.074 0.266 -5.994 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.281 -0.614 -6.946 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.822 -0.144 -4.550 1.00 0.00 C ATOM 0 H LEU A 57 5.963 0.532 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 57 3.774 0.306 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.853 -0.849 -6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.120 0.613 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 57 1.740 1.296 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.221 -0.553 -6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.436 -0.274 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.616 -1.647 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.754 -0.090 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.172 -1.165 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.359 0.529 -3.882 1.00 0.00 H new ATOM 405 N PHE A 58 3.368 3.084 -6.692 1.00 0.00 N ATOM 406 CA PHE A 58 2.704 4.382 -6.693 1.00 0.00 C ATOM 407 C PHE A 58 3.296 5.295 -7.762 1.00 0.00 C ATOM 408 O PHE A 58 2.587 5.771 -8.649 1.00 0.00 O ATOM 409 CB PHE A 58 2.826 5.042 -5.318 1.00 0.00 C ATOM 410 CG PHE A 58 2.199 4.243 -4.211 1.00 0.00 C ATOM 411 CD1 PHE A 58 0.824 4.090 -4.142 1.00 0.00 C ATOM 412 CD2 PHE A 58 2.985 3.643 -3.241 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.244 3.356 -3.125 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.411 2.907 -2.221 1.00 0.00 C ATOM 415 CZ PHE A 58 1.039 2.763 -2.164 1.00 0.00 C ATOM 0 H PHE A 58 3.904 2.886 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 58 1.650 4.223 -6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.881 5.197 -5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.359 6.026 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.198 4.550 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.059 3.751 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.830 3.246 -3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.035 2.445 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.588 2.187 -1.369 1.00 0.00 H new ATOM 425 N SER A 59 4.600 5.535 -7.671 1.00 0.00 N ATOM 426 CA SER A 59 5.288 6.394 -8.627 1.00 0.00 C ATOM 427 C SER A 59 4.699 6.231 -10.025 1.00 0.00 C ATOM 428 O SER A 59 4.616 7.191 -10.791 1.00 0.00 O ATOM 429 CB SER A 59 6.783 6.073 -8.651 1.00 0.00 C ATOM 430 OG SER A 59 7.447 6.803 -9.668 1.00 0.00 O ATOM 0 H SER A 59 5.201 5.146 -6.945 1.00 0.00 H new ATOM 0 HA SER A 59 5.151 7.428 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.224 6.310 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.926 5.005 -8.814 1.00 0.00 H new ATOM 0 HG SER A 59 8.401 6.580 -9.661 1.00 0.00 H new ATOM 436 N ALA A 60 4.292 5.009 -10.350 1.00 0.00 N ATOM 437 CA ALA A 60 3.710 4.719 -11.655 1.00 0.00 C ATOM 438 C ALA A 60 2.619 5.726 -12.004 1.00 0.00 C ATOM 439 O ALA A 60 2.610 6.292 -13.098 1.00 0.00 O ATOM 440 CB ALA A 60 3.152 3.303 -11.681 1.00 0.00 C ATOM 0 H ALA A 60 4.354 4.203 -9.728 1.00 0.00 H new ATOM 0 HA ALA A 60 4.498 4.801 -12.404 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.721 3.100 -12.661 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.954 2.592 -11.483 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.381 3.202 -10.917 1.00 0.00 H new ATOM 446 N TYR A 61 1.700 5.944 -11.070 1.00 0.00 N ATOM 447 CA TYR A 61 0.602 6.880 -11.281 1.00 0.00 C ATOM 448 C TYR A 61 1.129 8.293 -11.514 1.00 0.00 C ATOM 449 O TYR A 61 0.609 9.032 -12.349 1.00 0.00 O ATOM 450 CB TYR A 61 -0.344 6.868 -10.080 1.00 0.00 C ATOM 451 CG TYR A 61 -1.034 5.539 -9.866 1.00 0.00 C ATOM 452 CD1 TYR A 61 -0.419 4.523 -9.145 1.00 0.00 C ATOM 453 CD2 TYR A 61 -2.301 5.301 -10.384 1.00 0.00 C ATOM 454 CE1 TYR A 61 -1.046 3.308 -8.947 1.00 0.00 C ATOM 455 CE2 TYR A 61 -2.935 4.089 -10.190 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.303 3.096 -9.472 1.00 0.00 C ATOM 457 OH TYR A 61 -2.931 1.887 -9.276 1.00 0.00 O ATOM 0 H TYR A 61 1.694 5.485 -10.159 1.00 0.00 H new ATOM 0 HA TYR A 61 0.054 6.565 -12.169 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.219 7.125 -9.182 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.099 7.642 -10.215 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.566 4.686 -8.732 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.799 6.076 -10.948 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.554 2.529 -8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.920 3.920 -10.599 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.638 1.500 -8.425 1.00 0.00 H new ATOM 467 N GLY A 62 2.166 8.661 -10.768 1.00 0.00 N ATOM 468 CA GLY A 62 2.748 9.984 -10.908 1.00 0.00 C ATOM 469 C GLY A 62 3.998 10.159 -10.069 1.00 0.00 C ATOM 470 O GLY A 62 4.426 9.250 -9.357 1.00 0.00 O ATOM 0 H GLY A 62 2.614 8.067 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.990 10.162 -11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.012 10.734 -10.619 1.00 0.00 H new ATOM 474 N PRO A 63 4.606 11.352 -10.148 1.00 0.00 N ATOM 475 CA PRO A 63 5.824 11.671 -9.397 1.00 0.00 C ATOM 476 C PRO A 63 5.567 11.791 -7.899 1.00 0.00 C ATOM 477 O PRO A 63 4.680 12.530 -7.468 1.00 0.00 O ATOM 478 CB PRO A 63 6.254 13.021 -9.976 1.00 0.00 C ATOM 479 CG PRO A 63 4.997 13.628 -10.496 1.00 0.00 C ATOM 480 CD PRO A 63 4.151 12.481 -10.976 1.00 0.00 C ATOM 0 HA PRO A 63 6.579 10.890 -9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.712 13.651 -9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.990 12.895 -10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.484 14.192 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.207 14.325 -11.308 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.088 12.679 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.302 12.287 -12.038 1.00 0.00 H new ATOM 488 N LEU A 64 6.347 11.062 -7.109 1.00 0.00 N ATOM 489 CA LEU A 64 6.204 11.087 -5.658 1.00 0.00 C ATOM 490 C LEU A 64 7.011 12.230 -5.051 1.00 0.00 C ATOM 491 O LEU A 64 7.866 12.819 -5.712 1.00 0.00 O ATOM 492 CB LEU A 64 6.655 9.755 -5.057 1.00 0.00 C ATOM 493 CG LEU A 64 5.779 8.543 -5.377 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.443 7.262 -4.898 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.402 8.700 -4.747 1.00 0.00 C ATOM 0 H LEU A 64 7.085 10.446 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 64 5.151 11.245 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.668 9.548 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.705 9.866 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 64 5.658 8.482 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.805 6.411 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.406 7.143 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.596 7.312 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.792 7.829 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.505 8.787 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.923 9.597 -5.139 1.00 0.00 H new ATOM 507 N SER A 65 6.733 12.539 -3.788 1.00 0.00 N ATOM 508 CA SER A 65 7.432 13.613 -3.092 1.00 0.00 C ATOM 509 C SER A 65 8.203 13.071 -1.892 1.00 0.00 C ATOM 510 O SER A 65 9.343 13.463 -1.645 1.00 0.00 O ATOM 511 CB SER A 65 6.440 14.683 -2.635 1.00 0.00 C ATOM 512 OG SER A 65 5.904 14.371 -1.360 1.00 0.00 O ATOM 0 H SER A 65 6.029 12.061 -3.226 1.00 0.00 H new ATOM 0 HA SER A 65 8.143 14.060 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.938 15.652 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.632 14.768 -3.362 1.00 0.00 H new ATOM 0 HG SER A 65 5.554 15.186 -0.944 1.00 0.00 H new ATOM 518 N GLU A 66 7.571 12.168 -1.149 1.00 0.00 N ATOM 519 CA GLU A 66 8.196 11.573 0.026 1.00 0.00 C ATOM 520 C GLU A 66 7.552 10.232 0.365 1.00 0.00 C ATOM 521 O GLU A 66 6.350 10.041 0.172 1.00 0.00 O ATOM 522 CB GLU A 66 8.089 12.520 1.223 1.00 0.00 C ATOM 523 CG GLU A 66 8.135 11.811 2.566 1.00 0.00 C ATOM 524 CD GLU A 66 8.723 12.678 3.663 1.00 0.00 C ATOM 525 OE1 GLU A 66 8.242 13.816 3.840 1.00 0.00 O ATOM 526 OE2 GLU A 66 9.664 12.218 4.343 1.00 0.00 O ATOM 0 H GLU A 66 6.627 11.833 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 66 9.249 11.404 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.902 13.245 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.157 13.081 1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.126 11.509 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.726 10.900 2.472 1.00 0.00 H new ATOM 533 N LEU A 67 8.359 9.306 0.871 1.00 0.00 N ATOM 534 CA LEU A 67 7.869 7.982 1.238 1.00 0.00 C ATOM 535 C LEU A 67 8.267 7.630 2.668 1.00 0.00 C ATOM 536 O LEU A 67 9.328 8.034 3.145 1.00 0.00 O ATOM 537 CB LEU A 67 8.414 6.929 0.271 1.00 0.00 C ATOM 538 CG LEU A 67 7.851 5.516 0.429 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.435 5.441 -0.121 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.750 4.503 -0.264 1.00 0.00 C ATOM 0 H LEU A 67 9.355 9.448 1.036 1.00 0.00 H new ATOM 0 HA LEU A 67 6.781 7.995 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.218 7.264 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.497 6.882 0.389 1.00 0.00 H new ATOM 0 HG LEU A 67 7.819 5.275 1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.051 4.428 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.797 6.138 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.441 5.703 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.334 3.503 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.815 4.741 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.746 4.538 0.178 1.00 0.00 H new ATOM 552 N HIS A 68 7.410 6.873 3.346 1.00 0.00 N ATOM 553 CA HIS A 68 7.674 6.464 4.721 1.00 0.00 C ATOM 554 C HIS A 68 7.424 4.970 4.900 1.00 0.00 C ATOM 555 O HIS A 68 6.278 4.525 4.964 1.00 0.00 O ATOM 556 CB HIS A 68 6.798 7.259 5.689 1.00 0.00 C ATOM 557 CG HIS A 68 7.316 7.271 7.094 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.004 6.297 8.019 1.00 0.00 N ATOM 559 CD2 HIS A 68 8.130 8.146 7.730 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.603 6.573 9.164 1.00 0.00 C ATOM 561 NE2 HIS A 68 8.293 7.690 9.015 1.00 0.00 N ATOM 0 H HIS A 68 6.528 6.531 2.966 1.00 0.00 H new ATOM 0 HA HIS A 68 8.722 6.668 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.716 8.286 5.332 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.792 6.839 5.685 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.569 9.037 7.306 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.539 5.985 10.068 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.855 8.140 9.737 1.00 0.00 H new ATOM 570 N TYR A 69 8.504 4.200 4.981 1.00 0.00 N ATOM 571 CA TYR A 69 8.402 2.755 5.150 1.00 0.00 C ATOM 572 C TYR A 69 9.025 2.316 6.472 1.00 0.00 C ATOM 573 O TYR A 69 10.228 2.069 6.569 1.00 0.00 O ATOM 574 CB TYR A 69 9.086 2.035 3.987 1.00 0.00 C ATOM 575 CG TYR A 69 8.525 0.657 3.714 1.00 0.00 C ATOM 576 CD1 TYR A 69 7.154 0.444 3.652 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.367 -0.431 3.520 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.637 -0.813 3.404 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.859 -1.691 3.270 1.00 0.00 C ATOM 580 CZ TYR A 69 7.494 -1.877 3.213 1.00 0.00 C ATOM 581 OH TYR A 69 6.984 -3.131 2.966 1.00 0.00 O ATOM 0 H TYR A 69 9.460 4.552 4.932 1.00 0.00 H new ATOM 0 HA TYR A 69 7.345 2.490 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.989 2.642 3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.151 1.949 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.480 1.275 3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.437 -0.289 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.568 -0.962 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.527 -2.526 3.120 1.00 0.00 H new ATOM 0 HH TYR A 69 7.649 -3.665 2.483 1.00 0.00 H new ATOM 591 N PRO A 70 8.188 2.215 7.515 1.00 0.00 N ATOM 592 CA PRO A 70 8.633 1.804 8.850 1.00 0.00 C ATOM 593 C PRO A 70 9.031 0.333 8.901 1.00 0.00 C ATOM 594 O PRO A 70 8.384 -0.516 8.287 1.00 0.00 O ATOM 595 CB PRO A 70 7.404 2.056 9.726 1.00 0.00 C ATOM 596 CG PRO A 70 6.247 1.971 8.791 1.00 0.00 C ATOM 597 CD PRO A 70 6.743 2.493 7.471 1.00 0.00 C ATOM 0 HA PRO A 70 9.521 2.350 9.170 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.326 1.314 10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.454 3.033 10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.896 0.943 8.697 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.407 2.563 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.262 1.988 6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.542 3.558 7.359 1.00 0.00 H new ATOM 605 N ILE A 71 10.098 0.038 9.636 1.00 0.00 N ATOM 606 CA ILE A 71 10.580 -1.331 9.768 1.00 0.00 C ATOM 607 C ILE A 71 11.001 -1.629 11.203 1.00 0.00 C ATOM 608 O ILE A 71 11.802 -0.901 11.790 1.00 0.00 O ATOM 609 CB ILE A 71 11.769 -1.602 8.828 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.414 -1.207 7.394 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.174 -3.067 8.896 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.352 -2.085 6.770 1.00 0.00 C ATOM 0 H ILE A 71 10.645 0.729 10.149 1.00 0.00 H new ATOM 0 HA ILE A 71 9.753 -1.985 9.492 1.00 0.00 H new ATOM 0 HB ILE A 71 12.615 -0.996 9.152 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.070 -0.173 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.314 -1.248 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.016 -3.243 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.464 -3.317 9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.333 -3.691 8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.151 -1.746 5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.701 -3.117 6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.437 -2.025 7.360 1.00 0.00 H new ATOM 624 N ASP A 72 10.458 -2.706 11.761 1.00 0.00 N ATOM 625 CA ASP A 72 10.780 -3.103 13.127 1.00 0.00 C ATOM 626 C ASP A 72 12.274 -3.369 13.278 1.00 0.00 C ATOM 627 O ASP A 72 12.862 -4.123 12.501 1.00 0.00 O ATOM 628 CB ASP A 72 9.985 -4.350 13.518 1.00 0.00 C ATOM 629 CG ASP A 72 8.600 -4.015 14.035 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.467 -3.014 14.769 1.00 0.00 O ATOM 631 OD2 ASP A 72 7.649 -4.755 13.706 1.00 0.00 O ATOM 0 H ASP A 72 9.793 -3.319 11.289 1.00 0.00 H new ATOM 0 HA ASP A 72 10.507 -2.284 13.792 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.898 -5.008 12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.532 -4.901 14.283 1.00 0.00 H new ATOM 636 N SER A 73 12.883 -2.745 14.281 1.00 0.00 N ATOM 637 CA SER A 73 14.310 -2.911 14.530 1.00 0.00 C ATOM 638 C SER A 73 14.593 -4.254 15.196 1.00 0.00 C ATOM 639 O SER A 73 15.737 -4.565 15.533 1.00 0.00 O ATOM 640 CB SER A 73 14.831 -1.773 15.411 1.00 0.00 C ATOM 641 OG SER A 73 14.792 -0.536 14.721 1.00 0.00 O ATOM 0 H SER A 73 12.411 -2.120 14.934 1.00 0.00 H new ATOM 0 HA SER A 73 14.826 -2.885 13.570 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.230 -1.706 16.318 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.854 -1.988 15.721 1.00 0.00 H new ATOM 0 HG SER A 73 15.128 0.175 15.305 1.00 0.00 H new ATOM 647 N LEU A 74 13.544 -5.048 15.382 1.00 0.00 N ATOM 648 CA LEU A 74 13.678 -6.359 16.007 1.00 0.00 C ATOM 649 C LEU A 74 13.578 -7.470 14.967 1.00 0.00 C ATOM 650 O LEU A 74 14.479 -8.300 14.840 1.00 0.00 O ATOM 651 CB LEU A 74 12.601 -6.548 17.077 1.00 0.00 C ATOM 652 CG LEU A 74 12.632 -5.558 18.242 1.00 0.00 C ATOM 653 CD1 LEU A 74 11.366 -5.676 19.076 1.00 0.00 C ATOM 654 CD2 LEU A 74 13.864 -5.788 19.105 1.00 0.00 C ATOM 0 H LEU A 74 12.591 -4.807 15.109 1.00 0.00 H new ATOM 0 HA LEU A 74 14.661 -6.412 16.476 1.00 0.00 H new ATOM 0 HB2 LEU A 74 11.625 -6.483 16.597 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.691 -7.556 17.481 1.00 0.00 H new ATOM 0 HG LEU A 74 12.682 -4.548 17.834 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.406 -4.964 19.900 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.498 -5.461 18.452 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.285 -6.688 19.474 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.869 -5.075 19.929 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.845 -6.802 19.503 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.761 -5.652 18.502 1.00 0.00 H new ATOM 666 N THR A 75 12.477 -7.481 14.223 1.00 0.00 N ATOM 667 CA THR A 75 12.259 -8.489 13.193 1.00 0.00 C ATOM 668 C THR A 75 12.808 -8.028 11.848 1.00 0.00 C ATOM 669 O THR A 75 12.946 -8.822 10.917 1.00 0.00 O ATOM 670 CB THR A 75 10.763 -8.820 13.039 1.00 0.00 C ATOM 671 OG1 THR A 75 10.131 -7.851 12.195 1.00 0.00 O ATOM 672 CG2 THR A 75 10.072 -8.848 14.394 1.00 0.00 C ATOM 0 H THR A 75 11.721 -6.802 14.315 1.00 0.00 H new ATOM 0 HA THR A 75 12.791 -9.386 13.511 1.00 0.00 H new ATOM 0 HB THR A 75 10.677 -9.807 12.585 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.180 -8.070 12.101 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.016 -9.084 14.259 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.536 -9.607 15.023 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.168 -7.873 14.872 1.00 0.00 H new ATOM 680 N LYS A 76 13.120 -6.740 11.751 1.00 0.00 N ATOM 681 CA LYS A 76 13.657 -6.173 10.520 1.00 0.00 C ATOM 682 C LYS A 76 12.630 -6.248 9.394 1.00 0.00 C ATOM 683 O LYS A 76 12.986 -6.347 8.220 1.00 0.00 O ATOM 684 CB LYS A 76 14.934 -6.908 10.109 1.00 0.00 C ATOM 685 CG LYS A 76 16.021 -6.880 11.170 1.00 0.00 C ATOM 686 CD LYS A 76 16.709 -5.526 11.226 1.00 0.00 C ATOM 687 CE LYS A 76 17.982 -5.583 12.057 1.00 0.00 C ATOM 688 NZ LYS A 76 18.450 -4.224 12.448 1.00 0.00 N ATOM 0 H LYS A 76 13.010 -6.069 12.511 1.00 0.00 H new ATOM 0 HA LYS A 76 13.893 -5.125 10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.688 -7.945 9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.321 -6.462 9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.587 -7.109 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.758 -7.655 10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.947 -5.195 10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.029 -4.788 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.805 -6.178 12.953 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.764 -6.087 11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.319 -4.305 13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.644 -3.664 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.714 -3.752 13.011 1.00 0.00 H new ATOM 702 N LYS A 77 11.353 -6.198 9.760 1.00 0.00 N ATOM 703 CA LYS A 77 10.274 -6.257 8.781 1.00 0.00 C ATOM 704 C LYS A 77 9.168 -5.267 9.131 1.00 0.00 C ATOM 705 O LYS A 77 8.903 -4.981 10.299 1.00 0.00 O ATOM 706 CB LYS A 77 9.700 -7.674 8.710 1.00 0.00 C ATOM 707 CG LYS A 77 10.715 -8.721 8.283 1.00 0.00 C ATOM 708 CD LYS A 77 10.119 -10.118 8.307 1.00 0.00 C ATOM 709 CE LYS A 77 11.202 -11.186 8.317 1.00 0.00 C ATOM 710 NZ LYS A 77 10.628 -12.557 8.420 1.00 0.00 N ATOM 0 H LYS A 77 11.040 -6.117 10.728 1.00 0.00 H new ATOM 0 HA LYS A 77 10.684 -5.988 7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.301 -7.945 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.864 -7.684 8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.072 -8.494 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.580 -8.682 8.945 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.488 -10.230 9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.478 -10.256 7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.797 -11.109 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.877 -11.011 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.398 -13.256 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.081 -12.639 9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.004 -12.734 7.607 1.00 0.00 H new ATOM 724 N PRO A 78 8.505 -4.730 8.096 1.00 0.00 N ATOM 725 CA PRO A 78 7.415 -3.765 8.269 1.00 0.00 C ATOM 726 C PRO A 78 6.165 -4.402 8.866 1.00 0.00 C ATOM 727 O PRO A 78 5.764 -5.497 8.470 1.00 0.00 O ATOM 728 CB PRO A 78 7.140 -3.281 6.843 1.00 0.00 C ATOM 729 CG PRO A 78 7.597 -4.398 5.969 1.00 0.00 C ATOM 730 CD PRO A 78 8.767 -5.025 6.677 1.00 0.00 C ATOM 0 HA PRO A 78 7.684 -2.966 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.081 -3.070 6.694 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.682 -2.361 6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.799 -5.124 5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.888 -4.030 4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.820 -6.098 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.713 -4.597 6.346 1.00 0.00 H new ATOM 738 N LYS A 79 5.552 -3.710 9.820 1.00 0.00 N ATOM 739 CA LYS A 79 4.346 -4.207 10.472 1.00 0.00 C ATOM 740 C LYS A 79 3.185 -4.279 9.485 1.00 0.00 C ATOM 741 O LYS A 79 2.299 -5.122 9.615 1.00 0.00 O ATOM 742 CB LYS A 79 3.972 -3.308 11.652 1.00 0.00 C ATOM 743 CG LYS A 79 4.895 -3.459 12.849 1.00 0.00 C ATOM 744 CD LYS A 79 5.039 -2.153 13.611 1.00 0.00 C ATOM 745 CE LYS A 79 6.211 -1.332 13.095 1.00 0.00 C ATOM 746 NZ LYS A 79 6.375 -0.062 13.855 1.00 0.00 N ATOM 0 H LYS A 79 5.871 -2.802 10.159 1.00 0.00 H new ATOM 0 HA LYS A 79 4.550 -5.212 10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.984 -2.269 11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.951 -3.534 11.960 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.505 -4.229 13.515 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.876 -3.795 12.513 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.120 -1.574 13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.179 -2.363 14.671 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.126 -1.920 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.060 -1.107 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.184 0.469 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.511 0.510 13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.545 -0.277 14.858 1.00 0.00 H new ATOM 760 N GLY A 80 3.198 -3.388 8.498 1.00 0.00 N ATOM 761 CA GLY A 80 2.141 -3.369 7.503 1.00 0.00 C ATOM 762 C GLY A 80 1.479 -2.010 7.387 1.00 0.00 C ATOM 763 O GLY A 80 0.252 -1.910 7.359 1.00 0.00 O ATOM 0 H GLY A 80 3.921 -2.680 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.553 -3.653 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.389 -4.115 7.761 1.00 0.00 H new ATOM 767 N PHE A 81 2.292 -0.961 7.321 1.00 0.00 N ATOM 768 CA PHE A 81 1.778 0.399 7.210 1.00 0.00 C ATOM 769 C PHE A 81 2.869 1.356 6.738 1.00 0.00 C ATOM 770 O PHE A 81 4.045 1.178 7.054 1.00 0.00 O ATOM 771 CB PHE A 81 1.220 0.867 8.555 1.00 0.00 C ATOM 772 CG PHE A 81 2.271 1.395 9.489 1.00 0.00 C ATOM 773 CD1 PHE A 81 3.115 0.528 10.164 1.00 0.00 C ATOM 774 CD2 PHE A 81 2.414 2.758 9.693 1.00 0.00 C ATOM 775 CE1 PHE A 81 4.083 1.011 11.025 1.00 0.00 C ATOM 776 CE2 PHE A 81 3.380 3.247 10.552 1.00 0.00 C ATOM 777 CZ PHE A 81 4.216 2.372 11.218 1.00 0.00 C ATOM 0 H PHE A 81 3.310 -1.027 7.342 1.00 0.00 H new ATOM 0 HA PHE A 81 0.976 0.399 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.477 1.645 8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.704 0.035 9.034 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.016 -0.537 10.016 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.763 3.446 9.175 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.734 0.325 11.546 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.481 4.312 10.702 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.973 2.752 11.889 1.00 0.00 H new ATOM 787 N ALA A 82 2.469 2.371 5.979 1.00 0.00 N ATOM 788 CA ALA A 82 3.411 3.357 5.465 1.00 0.00 C ATOM 789 C ALA A 82 2.689 4.620 5.007 1.00 0.00 C ATOM 790 O ALA A 82 1.496 4.589 4.704 1.00 0.00 O ATOM 791 CB ALA A 82 4.222 2.766 4.321 1.00 0.00 C ATOM 0 H ALA A 82 1.499 2.532 5.707 1.00 0.00 H new ATOM 0 HA ALA A 82 4.089 3.631 6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.921 3.513 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.776 1.898 4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.551 2.463 3.518 1.00 0.00 H new ATOM 797 N PHE A 83 3.419 5.729 4.960 1.00 0.00 N ATOM 798 CA PHE A 83 2.847 7.003 4.540 1.00 0.00 C ATOM 799 C PHE A 83 3.416 7.438 3.193 1.00 0.00 C ATOM 800 O PHE A 83 4.621 7.651 3.055 1.00 0.00 O ATOM 801 CB PHE A 83 3.119 8.080 5.593 1.00 0.00 C ATOM 802 CG PHE A 83 2.362 7.872 6.873 1.00 0.00 C ATOM 803 CD1 PHE A 83 0.986 8.028 6.914 1.00 0.00 C ATOM 804 CD2 PHE A 83 3.027 7.520 8.037 1.00 0.00 C ATOM 805 CE1 PHE A 83 0.287 7.837 8.090 1.00 0.00 C ATOM 806 CE2 PHE A 83 2.333 7.327 9.216 1.00 0.00 C ATOM 807 CZ PHE A 83 0.961 7.486 9.243 1.00 0.00 C ATOM 0 H PHE A 83 4.408 5.772 5.207 1.00 0.00 H new ATOM 0 HA PHE A 83 1.770 6.871 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.187 8.102 5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.858 9.054 5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.453 8.302 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.100 7.395 8.022 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.786 7.962 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.863 7.052 10.116 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.417 7.336 10.164 1.00 0.00 H new ATOM 817 N VAL A 84 2.541 7.567 2.201 1.00 0.00 N ATOM 818 CA VAL A 84 2.954 7.976 0.864 1.00 0.00 C ATOM 819 C VAL A 84 2.581 9.429 0.594 1.00 0.00 C ATOM 820 O VAL A 84 1.438 9.838 0.800 1.00 0.00 O ATOM 821 CB VAL A 84 2.317 7.084 -0.218 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.680 7.588 -1.607 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.749 5.637 -0.037 1.00 0.00 C ATOM 0 H VAL A 84 1.541 7.394 2.298 1.00 0.00 H new ATOM 0 HA VAL A 84 4.038 7.868 0.821 1.00 0.00 H new ATOM 0 HB VAL A 84 1.233 7.131 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.221 6.946 -2.359 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.316 8.608 -1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.763 7.572 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.290 5.021 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.834 5.569 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.433 5.283 0.944 1.00 0.00 H new ATOM 833 N THR A 85 3.554 10.208 0.131 1.00 0.00 N ATOM 834 CA THR A 85 3.329 11.617 -0.167 1.00 0.00 C ATOM 835 C THR A 85 3.546 11.907 -1.647 1.00 0.00 C ATOM 836 O THR A 85 4.676 11.887 -2.135 1.00 0.00 O ATOM 837 CB THR A 85 4.259 12.522 0.664 1.00 0.00 C ATOM 838 OG1 THR A 85 4.353 12.029 2.005 1.00 0.00 O ATOM 839 CG2 THR A 85 3.747 13.954 0.679 1.00 0.00 C ATOM 0 H THR A 85 4.506 9.887 -0.046 1.00 0.00 H new ATOM 0 HA THR A 85 2.293 11.834 0.095 1.00 0.00 H new ATOM 0 HB THR A 85 5.247 12.511 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.947 12.609 2.526 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.419 14.575 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.705 14.336 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.749 13.979 1.117 1.00 0.00 H new ATOM 847 N PHE A 86 2.456 12.177 -2.358 1.00 0.00 N ATOM 848 CA PHE A 86 2.527 12.472 -3.784 1.00 0.00 C ATOM 849 C PHE A 86 2.931 13.924 -4.021 1.00 0.00 C ATOM 850 O PHE A 86 2.631 14.802 -3.212 1.00 0.00 O ATOM 851 CB PHE A 86 1.179 12.190 -4.452 1.00 0.00 C ATOM 852 CG PHE A 86 0.949 10.736 -4.750 1.00 0.00 C ATOM 853 CD1 PHE A 86 0.510 9.874 -3.758 1.00 0.00 C ATOM 854 CD2 PHE A 86 1.174 10.231 -6.020 1.00 0.00 C ATOM 855 CE1 PHE A 86 0.297 8.535 -4.028 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.962 8.894 -6.297 1.00 0.00 C ATOM 857 CZ PHE A 86 0.525 8.044 -5.299 1.00 0.00 C ATOM 0 H PHE A 86 1.513 12.198 -1.970 1.00 0.00 H new ATOM 0 HA PHE A 86 3.286 11.826 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.380 12.551 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.117 12.757 -5.381 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.332 10.253 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.519 10.890 -6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.047 7.874 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.138 8.514 -7.292 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.362 6.998 -5.512 1.00 0.00 H new ATOM 867 N MET A 87 3.614 14.168 -5.134 1.00 0.00 N ATOM 868 CA MET A 87 4.059 15.514 -5.477 1.00 0.00 C ATOM 869 C MET A 87 2.868 16.435 -5.720 1.00 0.00 C ATOM 870 O MET A 87 2.806 17.541 -5.183 1.00 0.00 O ATOM 871 CB MET A 87 4.952 15.477 -6.719 1.00 0.00 C ATOM 872 CG MET A 87 6.404 15.147 -6.414 1.00 0.00 C ATOM 873 SD MET A 87 7.400 16.617 -6.103 1.00 0.00 S ATOM 874 CE MET A 87 6.278 17.578 -5.090 1.00 0.00 C ATOM 0 H MET A 87 3.871 13.452 -5.814 1.00 0.00 H new ATOM 0 HA MET A 87 4.633 15.906 -4.637 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.559 14.738 -7.417 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.905 16.444 -7.219 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.449 14.492 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.830 14.594 -7.251 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.789 18.470 -4.728 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.412 17.871 -5.684 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.950 16.978 -4.241 1.00 0.00 H new ATOM 884 N PHE A 88 1.924 15.972 -6.533 1.00 0.00 N ATOM 885 CA PHE A 88 0.735 16.756 -6.848 1.00 0.00 C ATOM 886 C PHE A 88 -0.510 16.126 -6.232 1.00 0.00 C ATOM 887 O PHE A 88 -0.604 14.910 -6.064 1.00 0.00 O ATOM 888 CB PHE A 88 0.563 16.875 -8.364 1.00 0.00 C ATOM 889 CG PHE A 88 1.781 17.406 -9.065 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.970 18.770 -9.215 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.735 16.540 -9.574 1.00 0.00 C ATOM 892 CE1 PHE A 88 3.089 19.261 -9.861 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.857 17.026 -10.221 1.00 0.00 C ATOM 894 CZ PHE A 88 4.034 18.388 -10.363 1.00 0.00 C ATOM 0 H PHE A 88 1.959 15.058 -6.985 1.00 0.00 H new ATOM 0 HA PHE A 88 0.865 17.752 -6.425 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.317 15.895 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.283 17.529 -8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.235 19.457 -8.823 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.601 15.474 -9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.224 20.327 -9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.593 16.341 -10.615 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.910 18.770 -10.866 1.00 0.00 H new ATOM 904 N PRO A 89 -1.491 16.973 -5.884 1.00 0.00 N ATOM 905 CA PRO A 89 -2.749 16.522 -5.281 1.00 0.00 C ATOM 906 C PRO A 89 -3.625 15.758 -6.268 1.00 0.00 C ATOM 907 O PRO A 89 -4.161 14.699 -5.944 1.00 0.00 O ATOM 908 CB PRO A 89 -3.429 17.828 -4.862 1.00 0.00 C ATOM 909 CG PRO A 89 -2.863 18.860 -5.776 1.00 0.00 C ATOM 910 CD PRO A 89 -1.448 18.435 -6.055 1.00 0.00 C ATOM 0 HA PRO A 89 -2.580 15.829 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.512 17.761 -4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.221 18.066 -3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.440 18.923 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.890 19.847 -5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.136 18.713 -7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.745 18.900 -5.364 1.00 0.00 H new ATOM 918 N GLU A 90 -3.764 16.302 -7.473 1.00 0.00 N ATOM 919 CA GLU A 90 -4.575 15.670 -8.506 1.00 0.00 C ATOM 920 C GLU A 90 -4.233 14.189 -8.637 1.00 0.00 C ATOM 921 O GLU A 90 -5.121 13.338 -8.700 1.00 0.00 O ATOM 922 CB GLU A 90 -4.368 16.373 -9.850 1.00 0.00 C ATOM 923 CG GLU A 90 -2.948 16.267 -10.379 1.00 0.00 C ATOM 924 CD GLU A 90 -2.721 17.116 -11.615 1.00 0.00 C ATOM 925 OE1 GLU A 90 -3.625 17.166 -12.475 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.639 17.731 -11.722 1.00 0.00 O ATOM 0 H GLU A 90 -3.326 17.178 -7.757 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.622 15.759 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.053 15.946 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.630 17.426 -9.744 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.250 16.573 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.728 15.225 -10.613 1.00 0.00 H new ATOM 933 N HIS A 91 -2.939 13.888 -8.677 1.00 0.00 N ATOM 934 CA HIS A 91 -2.478 12.509 -8.800 1.00 0.00 C ATOM 935 C HIS A 91 -2.852 11.699 -7.563 1.00 0.00 C ATOM 936 O HIS A 91 -3.325 10.569 -7.669 1.00 0.00 O ATOM 937 CB HIS A 91 -0.964 12.472 -9.011 1.00 0.00 C ATOM 938 CG HIS A 91 -0.497 13.323 -10.152 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.710 13.990 -10.148 1.00 0.00 N ATOM 940 CD2 HIS A 91 -1.082 13.612 -11.338 1.00 0.00 C ATOM 941 CE1 HIS A 91 0.846 14.654 -11.282 1.00 0.00 C ATOM 942 NE2 HIS A 91 -0.227 14.441 -12.022 1.00 0.00 N ATOM 0 H HIS A 91 -2.191 14.580 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.968 12.064 -9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.470 12.801 -8.097 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.655 11.442 -9.187 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.042 13.257 -11.682 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.691 15.267 -11.557 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.394 14.829 -12.950 1.00 0.00 H new ATOM 951 N ALA A 92 -2.634 12.285 -6.390 1.00 0.00 N ATOM 952 CA ALA A 92 -2.949 11.618 -5.133 1.00 0.00 C ATOM 953 C ALA A 92 -4.388 11.116 -5.123 1.00 0.00 C ATOM 954 O ALA A 92 -4.753 10.262 -4.314 1.00 0.00 O ATOM 955 CB ALA A 92 -2.708 12.560 -3.961 1.00 0.00 C ATOM 0 H ALA A 92 -2.241 13.220 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.291 10.755 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.947 12.049 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.662 12.866 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.342 13.440 -4.065 1.00 0.00 H new ATOM 961 N VAL A 93 -5.203 11.651 -6.027 1.00 0.00 N ATOM 962 CA VAL A 93 -6.603 11.256 -6.122 1.00 0.00 C ATOM 963 C VAL A 93 -6.757 9.966 -6.920 1.00 0.00 C ATOM 964 O VAL A 93 -7.472 9.051 -6.510 1.00 0.00 O ATOM 965 CB VAL A 93 -7.454 12.358 -6.781 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.880 11.876 -6.998 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.433 13.623 -5.937 1.00 0.00 C ATOM 0 H VAL A 93 -4.918 12.359 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.956 11.095 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.023 12.591 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.465 12.669 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.873 11.000 -7.647 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.325 11.613 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.039 14.391 -6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.837 13.407 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.407 13.979 -5.840 1.00 0.00 H new ATOM 977 N LYS A 94 -6.081 9.899 -8.062 1.00 0.00 N ATOM 978 CA LYS A 94 -6.140 8.720 -8.918 1.00 0.00 C ATOM 979 C LYS A 94 -5.657 7.481 -8.172 1.00 0.00 C ATOM 980 O LYS A 94 -6.334 6.454 -8.150 1.00 0.00 O ATOM 981 CB LYS A 94 -5.293 8.934 -10.175 1.00 0.00 C ATOM 982 CG LYS A 94 -5.018 7.656 -10.948 1.00 0.00 C ATOM 983 CD LYS A 94 -6.241 7.200 -11.725 1.00 0.00 C ATOM 984 CE LYS A 94 -5.856 6.329 -12.911 1.00 0.00 C ATOM 985 NZ LYS A 94 -6.880 6.376 -13.991 1.00 0.00 N ATOM 0 H LYS A 94 -5.486 10.648 -8.416 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.179 8.565 -9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.801 9.642 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.344 9.388 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.188 7.817 -11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.711 6.871 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.906 6.644 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.795 8.070 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.896 6.659 -13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.727 5.299 -12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.580 5.769 -14.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.791 6.037 -13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.985 7.355 -14.327 1.00 0.00 H new ATOM 999 N ALA A 95 -4.482 7.585 -7.559 1.00 0.00 N ATOM 1000 CA ALA A 95 -3.910 6.474 -6.809 1.00 0.00 C ATOM 1001 C ALA A 95 -4.882 5.971 -5.747 1.00 0.00 C ATOM 1002 O ALA A 95 -5.023 4.765 -5.541 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.594 6.891 -6.169 1.00 0.00 C ATOM 0 H ALA A 95 -3.908 8.428 -7.567 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.719 5.657 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.178 6.051 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.892 7.195 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.768 7.726 -5.490 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.549 6.902 -5.074 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.505 6.553 -4.030 1.00 0.00 C ATOM 1011 C TYR A 96 -7.768 5.942 -4.630 1.00 0.00 C ATOM 1012 O TYR A 96 -8.524 5.254 -3.945 1.00 0.00 O ATOM 1013 CB TYR A 96 -6.866 7.790 -3.206 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.154 7.644 -2.427 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.328 6.600 -1.526 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.196 8.548 -2.592 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.503 6.462 -0.812 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.373 8.418 -1.881 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.522 7.374 -0.993 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.694 7.240 -0.284 1.00 0.00 O ATOM 0 H TYR A 96 -5.445 7.904 -5.233 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.039 5.814 -3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.053 8.003 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.950 8.648 -3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.532 5.885 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.084 9.366 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.623 5.645 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.173 9.131 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.308 7.964 -0.527 1.00 0.00 H new ATOM 1030 N ALA A 97 -7.987 6.197 -5.916 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.156 5.671 -6.610 1.00 0.00 C ATOM 1032 C ALA A 97 -8.882 4.277 -7.166 1.00 0.00 C ATOM 1033 O ALA A 97 -9.798 3.470 -7.319 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.575 6.614 -7.728 1.00 0.00 C ATOM 0 H ALA A 97 -7.370 6.764 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.971 5.594 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.449 6.209 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -9.820 7.590 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.757 6.720 -8.440 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.617 4.003 -7.467 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.224 2.707 -8.008 1.00 0.00 C ATOM 1042 C GLU A 98 -6.628 1.821 -6.918 1.00 0.00 C ATOM 1043 O GLU A 98 -7.078 0.696 -6.702 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.214 2.888 -9.143 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.786 3.596 -10.359 1.00 0.00 C ATOM 1046 CD GLU A 98 -7.461 2.643 -11.326 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -7.059 1.463 -11.375 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -8.394 3.079 -12.033 1.00 0.00 O ATOM 0 H GLU A 98 -6.847 4.661 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.117 2.220 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.360 3.455 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.840 1.910 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.506 4.346 -10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.986 4.126 -10.876 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.612 2.336 -6.234 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.953 1.593 -5.166 1.00 0.00 C ATOM 1057 C VAL A 99 -5.967 1.065 -4.158 1.00 0.00 C ATOM 1058 O VAL A 99 -6.016 -0.133 -3.880 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.920 2.466 -4.429 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.264 1.682 -3.303 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.876 2.991 -5.403 1.00 0.00 C ATOM 0 H VAL A 99 -5.227 3.266 -6.400 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.439 0.754 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.437 3.319 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.537 2.315 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.025 1.360 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.759 0.808 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.154 3.606 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.361 2.152 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.364 3.592 -6.171 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.776 1.968 -3.613 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.792 1.593 -2.636 1.00 0.00 C ATOM 1073 C ASP A 100 -8.706 0.506 -3.192 1.00 0.00 C ATOM 1074 O ASP A 100 -9.795 0.791 -3.691 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.618 2.815 -2.234 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.448 2.569 -0.989 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -8.950 1.887 -0.069 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.596 3.059 -0.935 1.00 0.00 O ATOM 0 H ASP A 100 -6.748 2.964 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.286 1.200 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.951 3.660 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.277 3.092 -3.057 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.256 -0.742 -3.104 1.00 0.00 N ATOM 1084 CA GLY A 101 -9.045 -1.853 -3.603 1.00 0.00 C ATOM 1085 C GLY A 101 -8.269 -2.729 -4.566 1.00 0.00 C ATOM 1086 O GLY A 101 -8.858 -3.434 -5.385 1.00 0.00 O ATOM 0 H GLY A 101 -7.359 -1.003 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.388 -2.457 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.934 -1.468 -4.103 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.944 -2.682 -4.470 1.00 0.00 N ATOM 1091 CA GLN A 102 -6.087 -3.476 -5.342 1.00 0.00 C ATOM 1092 C GLN A 102 -5.294 -4.502 -4.539 1.00 0.00 C ATOM 1093 O GLN A 102 -5.114 -4.354 -3.330 1.00 0.00 O ATOM 1094 CB GLN A 102 -5.131 -2.568 -6.117 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.982 -2.035 -5.277 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.730 -1.783 -6.093 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.122 -0.618 -5.901 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -2.312 -2.626 -6.887 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.441 -2.103 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.724 -4.008 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.725 -3.121 -6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.692 -1.727 -6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.290 -1.107 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.756 -2.747 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.810 -3.508 -7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.467 -2.442 -7.428 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.822 -5.542 -5.219 1.00 0.00 N ATOM 1108 CA VAL A 103 -4.047 -6.592 -4.569 1.00 0.00 C ATOM 1109 C VAL A 103 -2.582 -6.531 -4.984 1.00 0.00 C ATOM 1110 O VAL A 103 -2.266 -6.381 -6.165 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.606 -7.989 -4.900 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.698 -9.074 -4.342 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -6.021 -8.137 -4.362 1.00 0.00 C ATOM 0 H VAL A 103 -4.963 -5.680 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.124 -6.423 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.640 -8.100 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.109 -10.054 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.705 -8.978 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.628 -8.969 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.401 -9.130 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.014 -8.006 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.663 -7.382 -4.815 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.690 -6.650 -4.006 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.256 -6.608 -4.270 1.00 0.00 C ATOM 1125 C PHE A 104 0.445 -7.816 -3.657 1.00 0.00 C ATOM 1126 O PHE A 104 0.400 -8.023 -2.444 1.00 0.00 O ATOM 1127 CB PHE A 104 0.349 -5.317 -3.714 1.00 0.00 C ATOM 1128 CG PHE A 104 1.750 -5.059 -4.188 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.045 -5.033 -5.542 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.774 -4.843 -3.279 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.334 -4.796 -5.981 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.065 -4.605 -3.713 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.345 -4.583 -5.065 1.00 0.00 C ATOM 0 H PHE A 104 -1.935 -6.776 -3.024 1.00 0.00 H new ATOM 0 HA PHE A 104 -0.110 -6.634 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.283 -4.476 -4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.345 -5.363 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.258 -5.200 -6.263 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.561 -4.861 -2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.550 -4.777 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.854 -4.436 -2.995 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.353 -4.399 -5.405 1.00 0.00 H new ATOM 1143 N GLN A 105 1.092 -8.610 -4.504 1.00 0.00 N ATOM 1144 CA GLN A 105 1.802 -9.799 -4.045 1.00 0.00 C ATOM 1145 C GLN A 105 0.953 -10.593 -3.058 1.00 0.00 C ATOM 1146 O GLN A 105 1.470 -11.167 -2.101 1.00 0.00 O ATOM 1147 CB GLN A 105 3.129 -9.406 -3.394 1.00 0.00 C ATOM 1148 CG GLN A 105 4.131 -8.805 -4.367 1.00 0.00 C ATOM 1149 CD GLN A 105 5.513 -8.655 -3.764 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.679 -8.696 -2.544 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.516 -8.481 -4.617 1.00 0.00 N ATOM 0 H GLN A 105 1.139 -8.452 -5.511 1.00 0.00 H new ATOM 0 HA GLN A 105 2.003 -10.429 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.934 -8.689 -2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.571 -10.287 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.193 -9.435 -5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.773 -7.828 -4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.333 -8.453 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.469 -8.375 -4.269 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.354 -10.621 -3.299 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.254 -11.347 -2.422 1.00 0.00 C ATOM 1162 C GLY A 106 -1.586 -10.573 -1.161 1.00 0.00 C ATOM 1163 O GLY A 106 -1.819 -11.163 -0.106 1.00 0.00 O ATOM 0 H GLY A 106 -0.806 -10.154 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.175 -11.573 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.801 -12.301 -2.151 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.606 -9.249 -1.270 1.00 0.00 N ATOM 1168 CA ARG A 107 -1.908 -8.393 -0.129 1.00 0.00 C ATOM 1169 C ARG A 107 -2.793 -7.222 -0.547 1.00 0.00 C ATOM 1170 O ARG A 107 -2.357 -6.333 -1.278 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.615 -7.871 0.500 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.064 -8.770 1.595 1.00 0.00 C ATOM 1173 CD ARG A 107 -0.873 -8.648 2.877 1.00 0.00 C ATOM 1174 NE ARG A 107 -0.374 -9.534 3.925 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.063 -9.840 5.019 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.274 -9.334 5.206 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -0.541 -10.653 5.928 1.00 0.00 N ATOM 0 H ARG A 107 -1.417 -8.746 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.447 -8.988 0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.139 -7.758 -0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.797 -6.879 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.073 -9.806 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.975 -8.508 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.842 -7.617 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.917 -8.883 2.671 1.00 0.00 H new ATOM 0 HE ARG A 107 0.555 -9.940 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.679 -8.708 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.801 -9.570 6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.391 -11.044 5.788 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.071 -10.887 6.767 1.00 0.00 H new ATOM 1191 N MET A 108 -4.036 -7.230 -0.078 1.00 0.00 N ATOM 1192 CA MET A 108 -4.981 -6.168 -0.403 1.00 0.00 C ATOM 1193 C MET A 108 -4.502 -4.827 0.144 1.00 0.00 C ATOM 1194 O MET A 108 -4.354 -4.656 1.354 1.00 0.00 O ATOM 1195 CB MET A 108 -6.365 -6.497 0.162 1.00 0.00 C ATOM 1196 CG MET A 108 -7.227 -7.318 -0.783 1.00 0.00 C ATOM 1197 SD MET A 108 -8.987 -6.978 -0.588 1.00 0.00 S ATOM 1198 CE MET A 108 -9.110 -5.370 -1.369 1.00 0.00 C ATOM 0 H MET A 108 -4.412 -7.959 0.528 1.00 0.00 H new ATOM 0 HA MET A 108 -5.047 -6.095 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.246 -7.042 1.098 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.883 -5.567 0.398 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.932 -7.110 -1.811 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.044 -8.378 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 108 -10.155 -5.149 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.709 -4.609 -0.700 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.540 -5.372 -2.298 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.260 -3.879 -0.755 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.796 -2.553 -0.363 1.00 0.00 C ATOM 1210 C LEU A 109 -4.972 -1.644 -0.021 1.00 0.00 C ATOM 1211 O LEU A 109 -5.891 -1.472 -0.823 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.964 -1.929 -1.485 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.777 -2.756 -1.979 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -1.077 -2.050 -3.129 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.802 -3.022 -0.841 1.00 0.00 C ATOM 0 H LEU A 109 -4.378 -4.004 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.173 -2.661 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.622 -1.732 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.591 -0.965 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.151 -3.713 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.235 -2.653 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.778 -1.912 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.715 -1.078 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.037 -3.612 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.434 -2.074 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.310 -3.571 -0.048 1.00 0.00 H new ATOM 1227 N HIS A 110 -4.937 -1.063 1.174 1.00 0.00 N ATOM 1228 CA HIS A 110 -5.999 -0.169 1.621 1.00 0.00 C ATOM 1229 C HIS A 110 -5.498 1.270 1.706 1.00 0.00 C ATOM 1230 O HIS A 110 -4.451 1.540 2.293 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.532 -0.616 2.983 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.229 -1.941 2.947 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.000 -3.042 2.194 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.304 -2.248 3.755 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -7.930 -3.984 2.557 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -8.705 -3.481 3.501 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.185 -1.195 1.850 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.807 -0.212 0.891 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.703 -0.670 3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.223 0.139 3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.748 -1.584 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.014 -4.976 2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.481 -3.962 3.956 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.253 2.190 1.113 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.886 3.601 1.121 1.00 0.00 C ATOM 1247 C VAL A 111 -7.031 4.464 1.642 1.00 0.00 C ATOM 1248 O VAL A 111 -8.171 4.338 1.193 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.491 4.087 -0.286 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.813 5.446 -0.211 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.589 3.068 -0.966 1.00 0.00 C ATOM 0 H VAL A 111 -7.122 1.983 0.621 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.028 3.701 1.786 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.397 4.193 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.541 5.773 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.496 6.169 0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.915 5.371 0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.319 3.427 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.685 2.929 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.115 2.118 -1.054 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.719 5.340 2.590 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.722 6.225 3.173 1.00 0.00 C ATOM 1263 C LEU A 112 -7.261 7.679 3.120 1.00 0.00 C ATOM 1264 O LEU A 112 -6.080 7.987 3.280 1.00 0.00 O ATOM 1265 CB LEU A 112 -8.009 5.821 4.620 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.925 4.612 4.809 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.943 4.179 6.267 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.334 4.929 4.328 1.00 0.00 C ATOM 0 H LEU A 112 -5.780 5.457 2.972 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.637 6.131 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.060 5.613 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.455 6.673 5.133 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.535 3.788 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.600 3.317 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.934 3.910 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.308 4.999 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.972 4.057 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.733 5.768 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.307 5.190 3.270 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.215 8.594 2.893 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.932 10.030 2.817 1.00 0.00 C ATOM 1282 C PRO A 113 -7.553 10.619 4.172 1.00 0.00 C ATOM 1283 O PRO A 113 -8.225 10.377 5.175 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.253 10.627 2.326 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.293 9.652 2.759 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.644 8.298 2.693 1.00 0.00 C ATOM 0 HA PRO A 113 -7.084 10.244 2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.428 11.611 2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.253 10.751 1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.637 9.871 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -11.166 9.698 2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -10.028 7.630 3.464 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.823 7.813 1.734 1.00 0.00 H new ATOM 1294 N SER A 114 -6.472 11.393 4.195 1.00 0.00 N ATOM 1295 CA SER A 114 -6.002 12.013 5.428 1.00 0.00 C ATOM 1296 C SER A 114 -5.629 13.473 5.193 1.00 0.00 C ATOM 1297 O SER A 114 -4.693 13.777 4.452 1.00 0.00 O ATOM 1298 CB SER A 114 -4.797 11.249 5.980 1.00 0.00 C ATOM 1299 OG SER A 114 -4.475 11.683 7.290 1.00 0.00 O ATOM 0 H SER A 114 -5.906 11.605 3.374 1.00 0.00 H new ATOM 0 HA SER A 114 -6.812 11.976 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.013 10.181 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.939 11.394 5.324 1.00 0.00 H new ATOM 0 HG SER A 114 -3.703 11.179 7.621 1.00 0.00 H new ATOM 1305 N THR A 115 -6.368 14.376 5.830 1.00 0.00 N ATOM 1306 CA THR A 115 -6.117 15.805 5.691 1.00 0.00 C ATOM 1307 C THR A 115 -5.782 16.438 7.037 1.00 0.00 C ATOM 1308 O THR A 115 -6.054 15.860 8.089 1.00 0.00 O ATOM 1309 CB THR A 115 -7.331 16.532 5.083 1.00 0.00 C ATOM 1310 OG1 THR A 115 -8.472 16.377 5.934 1.00 0.00 O ATOM 1311 CG2 THR A 115 -7.649 15.990 3.697 1.00 0.00 C ATOM 0 H THR A 115 -7.146 14.143 6.448 1.00 0.00 H new ATOM 0 HA THR A 115 -5.265 15.912 5.020 1.00 0.00 H new ATOM 0 HB THR A 115 -7.085 17.590 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.239 16.844 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.510 16.519 3.288 1.00 0.00 H new ATOM 0 HG22 THR A 115 -6.789 16.136 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.876 14.926 3.766 1.00 0.00 H new ATOM 1319 N ILE A 116 -5.191 17.628 6.995 1.00 0.00 N ATOM 1320 CA ILE A 116 -4.821 18.339 8.212 1.00 0.00 C ATOM 1321 C ILE A 116 -6.018 19.076 8.804 1.00 0.00 C ATOM 1322 O ILE A 116 -6.360 20.176 8.371 1.00 0.00 O ATOM 1323 CB ILE A 116 -3.689 19.350 7.951 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -2.497 18.654 7.289 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -3.264 20.017 9.251 1.00 0.00 C ATOM 1326 CD1 ILE A 116 -2.658 18.472 5.796 1.00 0.00 C ATOM 0 H ILE A 116 -4.959 18.119 6.132 1.00 0.00 H new ATOM 0 HA ILE A 116 -4.472 17.589 8.921 1.00 0.00 H new ATOM 0 HB ILE A 116 -4.059 20.120 7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.595 19.235 7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -2.353 17.678 7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.463 20.729 9.050 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -4.115 20.541 9.686 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.909 19.259 9.950 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -1.777 17.973 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -3.542 17.866 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -2.772 19.446 5.321 1.00 0.00 H new ATOM 1338 N LYS A 117 -6.651 18.462 9.797 1.00 0.00 N ATOM 1339 CA LYS A 117 -7.809 19.059 10.453 1.00 0.00 C ATOM 1340 C LYS A 117 -7.379 19.937 11.623 1.00 0.00 C ATOM 1341 O LYS A 117 -7.639 19.615 12.783 1.00 0.00 O ATOM 1342 CB LYS A 117 -8.763 17.967 10.943 1.00 0.00 C ATOM 1343 CG LYS A 117 -9.577 17.327 9.833 1.00 0.00 C ATOM 1344 CD LYS A 117 -10.858 18.099 9.564 1.00 0.00 C ATOM 1345 CE LYS A 117 -11.540 17.622 8.291 1.00 0.00 C ATOM 1346 NZ LYS A 117 -12.914 18.178 8.156 1.00 0.00 N ATOM 0 H LYS A 117 -6.382 17.550 10.166 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.326 19.684 9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -8.186 17.194 11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -9.443 18.394 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.980 17.283 8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.820 16.300 10.105 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.538 17.983 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.633 19.162 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.943 17.915 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.587 16.533 8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.345 17.829 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.491 17.877 8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.867 19.217 8.131 1.00 0.00 H new ATOM 1360 N LYS A 118 -6.720 21.048 11.313 1.00 0.00 N ATOM 1361 CA LYS A 118 -6.255 21.975 12.338 1.00 0.00 C ATOM 1362 C LYS A 118 -7.382 22.900 12.786 1.00 0.00 C ATOM 1363 O LYS A 118 -8.438 22.957 12.156 1.00 0.00 O ATOM 1364 CB LYS A 118 -5.080 22.803 11.813 1.00 0.00 C ATOM 1365 CG LYS A 118 -5.444 23.698 10.641 1.00 0.00 C ATOM 1366 CD LYS A 118 -4.471 24.858 10.503 1.00 0.00 C ATOM 1367 CE LYS A 118 -3.186 24.428 9.812 1.00 0.00 C ATOM 1368 NZ LYS A 118 -2.227 23.802 10.764 1.00 0.00 N ATOM 0 H LYS A 118 -6.496 21.329 10.358 1.00 0.00 H new ATOM 0 HA LYS A 118 -5.924 21.391 13.197 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.690 23.419 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -4.278 22.130 11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.447 23.112 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.455 24.083 10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.940 25.662 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.238 25.259 11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.421 23.722 9.016 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -2.719 25.294 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.254 24.037 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.406 24.161 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.350 22.769 10.752 1.00 0.00 H new ATOM 1382 N GLU A 119 -7.150 23.623 13.877 1.00 0.00 N ATOM 1383 CA GLU A 119 -8.147 24.546 14.408 1.00 0.00 C ATOM 1384 C GLU A 119 -7.729 25.994 14.169 1.00 0.00 C ATOM 1385 O GLU A 119 -6.711 26.451 14.687 1.00 0.00 O ATOM 1386 CB GLU A 119 -8.353 24.303 15.905 1.00 0.00 C ATOM 1387 CG GLU A 119 -7.162 24.708 16.757 1.00 0.00 C ATOM 1388 CD GLU A 119 -7.215 26.163 17.180 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -8.331 26.678 17.397 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -6.138 26.786 17.294 1.00 0.00 O ATOM 0 H GLU A 119 -6.281 23.588 14.410 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.087 24.366 13.886 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.231 24.857 16.237 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.562 23.246 16.067 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.124 24.077 17.645 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.243 24.529 16.199 1.00 0.00 H new ATOM 1397 N ALA A 120 -8.524 26.710 13.380 1.00 0.00 N ATOM 1398 CA ALA A 120 -8.238 28.106 13.074 1.00 0.00 C ATOM 1399 C ALA A 120 -9.472 28.809 12.518 1.00 0.00 C ATOM 1400 O ALA A 120 -10.242 28.223 11.756 1.00 0.00 O ATOM 1401 CB ALA A 120 -7.083 28.204 12.088 1.00 0.00 C ATOM 0 H ALA A 120 -9.370 26.346 12.942 1.00 0.00 H new ATOM 0 HA ALA A 120 -7.954 28.605 14.000 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.880 29.252 11.868 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.194 27.746 12.522 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.346 27.685 11.167 1.00 0.00 H new ATOM 1407 N SER A 121 -9.654 30.068 12.903 1.00 0.00 N ATOM 1408 CA SER A 121 -10.797 30.850 12.447 1.00 0.00 C ATOM 1409 C SER A 121 -10.473 31.577 11.146 1.00 0.00 C ATOM 1410 O SER A 121 -9.432 32.224 11.027 1.00 0.00 O ATOM 1411 CB SER A 121 -11.213 31.859 13.519 1.00 0.00 C ATOM 1412 OG SER A 121 -10.170 32.781 13.782 1.00 0.00 O ATOM 0 H SER A 121 -9.024 30.569 13.530 1.00 0.00 H new ATOM 0 HA SER A 121 -11.625 30.165 12.264 1.00 0.00 H new ATOM 0 HB2 SER A 121 -12.104 32.396 13.192 1.00 0.00 H new ATOM 0 HB3 SER A 121 -11.477 31.332 14.436 1.00 0.00 H new ATOM 0 HG SER A 121 -10.461 33.416 14.469 1.00 0.00 H new ATOM 1418 N GLN A 122 -11.372 31.466 10.173 1.00 0.00 N ATOM 1419 CA GLN A 122 -11.182 32.113 8.880 1.00 0.00 C ATOM 1420 C GLN A 122 -12.464 32.797 8.419 1.00 0.00 C ATOM 1421 O GLN A 122 -13.422 32.136 8.017 1.00 0.00 O ATOM 1422 CB GLN A 122 -10.732 31.089 7.836 1.00 0.00 C ATOM 1423 CG GLN A 122 -11.719 29.951 7.636 1.00 0.00 C ATOM 1424 CD GLN A 122 -11.113 28.777 6.892 1.00 0.00 C ATOM 1425 OE1 GLN A 122 -10.104 28.212 7.316 1.00 0.00 O ATOM 1426 NE2 GLN A 122 -11.726 28.403 5.775 1.00 0.00 N ATOM 0 H GLN A 122 -12.239 30.934 10.256 1.00 0.00 H new ATOM 0 HA GLN A 122 -10.408 32.872 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.578 31.597 6.884 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -9.769 30.675 8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.080 29.613 8.607 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -12.584 30.318 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -12.560 28.899 5.460 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.363 27.619 5.232 1.00 0.00 H new ATOM 1435 N SER A 123 -12.476 34.125 8.481 1.00 0.00 N ATOM 1436 CA SER A 123 -13.643 34.899 8.074 1.00 0.00 C ATOM 1437 C SER A 123 -13.227 36.257 7.518 1.00 0.00 C ATOM 1438 O SER A 123 -12.256 36.858 7.977 1.00 0.00 O ATOM 1439 CB SER A 123 -14.593 35.089 9.258 1.00 0.00 C ATOM 1440 OG SER A 123 -15.712 35.879 8.892 1.00 0.00 O ATOM 0 H SER A 123 -11.691 34.687 8.809 1.00 0.00 H new ATOM 0 HA SER A 123 -14.159 34.347 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 123 -14.932 34.117 9.616 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.062 35.565 10.082 1.00 0.00 H new ATOM 0 HG SER A 123 -16.305 35.984 9.665 1.00 0.00 H new ATOM 1446 N GLY A 124 -13.970 36.736 6.525 1.00 0.00 N ATOM 1447 CA GLY A 124 -13.664 38.020 5.922 1.00 0.00 C ATOM 1448 C GLY A 124 -14.350 38.210 4.583 1.00 0.00 C ATOM 1449 O GLY A 124 -13.765 37.982 3.524 1.00 0.00 O ATOM 0 H GLY A 124 -14.778 36.258 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.969 38.818 6.599 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -12.586 38.108 5.790 1.00 0.00 H new ATOM 1453 N PRO A 125 -15.621 38.638 4.621 1.00 0.00 N ATOM 1454 CA PRO A 125 -16.415 38.867 3.410 1.00 0.00 C ATOM 1455 C PRO A 125 -15.929 40.076 2.619 1.00 0.00 C ATOM 1456 O PRO A 125 -15.947 40.072 1.388 1.00 0.00 O ATOM 1457 CB PRO A 125 -17.825 39.114 3.953 1.00 0.00 C ATOM 1458 CG PRO A 125 -17.614 39.621 5.338 1.00 0.00 C ATOM 1459 CD PRO A 125 -16.380 38.930 5.848 1.00 0.00 C ATOM 0 HA PRO A 125 -16.351 38.029 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -18.363 39.840 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -18.416 38.198 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -17.485 40.703 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.474 39.400 5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -15.815 39.567 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.626 38.020 6.395 1.00 0.00 H new ATOM 1467 N SER A 126 -15.494 41.109 3.332 1.00 0.00 N ATOM 1468 CA SER A 126 -15.006 42.327 2.696 1.00 0.00 C ATOM 1469 C SER A 126 -13.887 42.012 1.707 1.00 0.00 C ATOM 1470 O SER A 126 -12.798 41.592 2.099 1.00 0.00 O ATOM 1471 CB SER A 126 -14.506 43.315 3.752 1.00 0.00 C ATOM 1472 OG SER A 126 -13.250 42.914 4.271 1.00 0.00 O ATOM 0 H SER A 126 -15.469 41.127 4.352 1.00 0.00 H new ATOM 0 HA SER A 126 -15.834 42.779 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 126 -14.421 44.309 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 126 -15.232 43.385 4.562 1.00 0.00 H new ATOM 0 HG SER A 126 -12.959 42.091 3.825 1.00 0.00 H new ATOM 1478 N SER A 127 -14.165 42.219 0.424 1.00 0.00 N ATOM 1479 CA SER A 127 -13.184 41.954 -0.622 1.00 0.00 C ATOM 1480 C SER A 127 -12.763 43.248 -1.313 1.00 0.00 C ATOM 1481 O SER A 127 -13.294 43.605 -2.363 1.00 0.00 O ATOM 1482 CB SER A 127 -13.756 40.976 -1.651 1.00 0.00 C ATOM 1483 OG SER A 127 -12.963 40.950 -2.825 1.00 0.00 O ATOM 0 H SER A 127 -15.061 42.569 0.084 1.00 0.00 H new ATOM 0 HA SER A 127 -12.305 41.508 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.805 39.976 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 127 -14.776 41.265 -1.904 1.00 0.00 H new ATOM 0 HG SER A 127 -13.348 40.317 -3.466 1.00 0.00 H new ATOM 1489 N GLY A 128 -11.804 43.946 -0.713 1.00 0.00 N ATOM 1490 CA GLY A 128 -11.328 45.193 -1.283 1.00 0.00 C ATOM 1491 C GLY A 128 -11.989 46.406 -0.659 1.00 0.00 C ATOM 1492 O GLY A 128 -12.019 47.481 -1.257 1.00 0.00 O ATOM 0 H GLY A 128 -11.348 43.671 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.249 45.262 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -11.516 45.193 -2.357 1.00 0.00 H new TER 1496 GLY A 128