USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 799 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 55 CYS SG : rot 180:sc= -1.8 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -2.02 X(o=-3.8,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0129 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -53:sc= 0.28 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 11 SER OG : rot 45:sc= 0.623 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 80:sc= 1.31 USER MOD Single : A 15 ASN : amide:sc= -0.718 X(o=-0.72,f=-0.9!) USER MOD Single : A 19 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 51:sc= 0.39 USER MOD Single : A 27 CYS SG : rot 180:sc= -0.621 USER MOD Single : A 28 SER OG : rot 27:sc= -0.77 USER MOD Single : A 32 ASN :FLIP amide:sc= -1.01 F(o=-2.4!,f=-1) USER MOD Single : A 33 HIS : no HE2:sc= -0.506! C(o=-0.51!,f=-5.5!) USER MOD Single : A 35 HIS : no HD1:sc= -1.83! C(o=-1.8!,f=-3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN :FLIP amide:sc= 0.059 F(o=-0.78,f=0.059) USER MOD Single : A 41 ASN : amide:sc= -0.0213 K(o=-0.021,f=-0.82) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.0569 (180deg=-0.398) USER MOD Single : A 47 GLN : amide:sc= 0.108 K(o=0.11,f=-1.2) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 46:sc= 0.907 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.95 F(o=-2.8!,f=-2) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 89:sc= -0.952 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 89 MET CE :methyl -142:sc= -1.35 (180deg=-3.74!) USER MOD Single : A 91 HIS : no HD1:sc=-0.00173 X(o=-0.0017,f=-0.0017) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 38:sc= 1.19 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.259 -19.968 7.984 1.00 0.00 N ATOM 2 CA GLY A 1 -19.876 -18.659 7.882 1.00 0.00 C ATOM 3 C GLY A 1 -20.468 -18.192 9.197 1.00 0.00 C ATOM 4 O GLY A 1 -20.995 -18.995 9.967 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.558 -20.556 7.180 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.224 -19.866 7.973 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.552 -20.422 8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.133 -17.936 7.545 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.659 -18.688 7.125 1.00 0.00 H new ATOM 8 N SER A 2 -20.380 -16.892 9.456 1.00 0.00 N ATOM 9 CA SER A 2 -20.907 -16.320 10.690 1.00 0.00 C ATOM 10 C SER A 2 -21.368 -14.883 10.470 1.00 0.00 C ATOM 11 O SER A 2 -21.123 -14.295 9.416 1.00 0.00 O ATOM 12 CB SER A 2 -19.846 -16.364 11.791 1.00 0.00 C ATOM 13 OG SER A 2 -20.444 -16.433 13.074 1.00 0.00 O ATOM 0 H SER A 2 -19.949 -16.214 8.828 1.00 0.00 H new ATOM 0 HA SER A 2 -21.766 -16.915 10.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.198 -17.228 11.642 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.215 -15.477 11.728 1.00 0.00 H new ATOM 0 HG SER A 2 -19.745 -16.462 13.760 1.00 0.00 H new ATOM 19 N SER A 3 -22.038 -14.323 11.472 1.00 0.00 N ATOM 20 CA SER A 3 -22.538 -12.956 11.387 1.00 0.00 C ATOM 21 C SER A 3 -21.615 -11.993 12.128 1.00 0.00 C ATOM 22 O SER A 3 -21.462 -12.074 13.346 1.00 0.00 O ATOM 23 CB SER A 3 -23.952 -12.871 11.966 1.00 0.00 C ATOM 24 OG SER A 3 -24.669 -11.785 11.403 1.00 0.00 O ATOM 0 H SER A 3 -22.247 -14.795 12.352 1.00 0.00 H new ATOM 0 HA SER A 3 -22.565 -12.670 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.484 -13.802 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.899 -12.754 13.048 1.00 0.00 H new ATOM 0 HG SER A 3 -25.570 -11.753 11.788 1.00 0.00 H new ATOM 30 N GLY A 4 -21.000 -11.080 11.381 1.00 0.00 N ATOM 31 CA GLY A 4 -20.099 -10.115 11.982 1.00 0.00 C ATOM 32 C GLY A 4 -18.644 -10.516 11.845 1.00 0.00 C ATOM 33 O GLY A 4 -18.058 -10.395 10.770 1.00 0.00 O ATOM 0 H GLY A 4 -21.110 -10.992 10.371 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.250 -9.142 11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.344 -10.003 13.038 1.00 0.00 H new ATOM 37 N SER A 5 -18.058 -10.994 12.939 1.00 0.00 N ATOM 38 CA SER A 5 -16.660 -11.410 12.938 1.00 0.00 C ATOM 39 C SER A 5 -15.761 -10.289 12.426 1.00 0.00 C ATOM 40 O SER A 5 -14.823 -10.529 11.665 1.00 0.00 O ATOM 41 CB SER A 5 -16.479 -12.659 12.074 1.00 0.00 C ATOM 42 OG SER A 5 -15.198 -13.234 12.271 1.00 0.00 O ATOM 0 H SER A 5 -18.530 -11.103 13.837 1.00 0.00 H new ATOM 0 HA SER A 5 -16.374 -11.642 13.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.250 -13.389 12.319 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.607 -12.400 11.023 1.00 0.00 H new ATOM 0 HG SER A 5 -14.508 -12.552 12.130 1.00 0.00 H new ATOM 48 N SER A 6 -16.054 -9.063 12.849 1.00 0.00 N ATOM 49 CA SER A 6 -15.275 -7.904 12.431 1.00 0.00 C ATOM 50 C SER A 6 -14.555 -7.276 13.621 1.00 0.00 C ATOM 51 O SER A 6 -15.070 -7.266 14.738 1.00 0.00 O ATOM 52 CB SER A 6 -16.182 -6.867 11.765 1.00 0.00 C ATOM 53 OG SER A 6 -15.429 -5.771 11.275 1.00 0.00 O ATOM 0 H SER A 6 -16.825 -8.847 13.481 1.00 0.00 H new ATOM 0 HA SER A 6 -14.528 -8.239 11.711 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.730 -7.331 10.945 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.922 -6.512 12.482 1.00 0.00 H new ATOM 0 HG SER A 6 -16.031 -5.123 10.853 1.00 0.00 H new ATOM 59 N GLY A 7 -13.358 -6.753 13.371 1.00 0.00 N ATOM 60 CA GLY A 7 -12.585 -6.131 14.430 1.00 0.00 C ATOM 61 C GLY A 7 -11.091 -6.214 14.183 1.00 0.00 C ATOM 62 O GLY A 7 -10.359 -5.256 14.435 1.00 0.00 O ATOM 0 H GLY A 7 -12.910 -6.749 12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.877 -5.085 14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.821 -6.613 15.379 1.00 0.00 H new ATOM 66 N LEU A 8 -10.638 -7.361 13.691 1.00 0.00 N ATOM 67 CA LEU A 8 -9.221 -7.567 13.411 1.00 0.00 C ATOM 68 C LEU A 8 -8.567 -6.274 12.933 1.00 0.00 C ATOM 69 O LEU A 8 -8.989 -5.686 11.938 1.00 0.00 O ATOM 70 CB LEU A 8 -9.042 -8.662 12.358 1.00 0.00 C ATOM 71 CG LEU A 8 -9.034 -8.198 10.901 1.00 0.00 C ATOM 72 CD1 LEU A 8 -8.844 -9.381 9.965 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.320 -7.455 10.571 1.00 0.00 C ATOM 0 H LEU A 8 -11.231 -8.163 13.477 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.735 -7.878 14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.105 -9.181 12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.843 -9.391 12.482 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.197 -7.514 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.841 -9.031 8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.895 -9.870 10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.659 -10.091 10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.297 -7.132 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.172 -8.116 10.727 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.413 -6.584 11.219 1.00 0.00 H new ATOM 85 N GLU A 9 -7.534 -5.840 13.647 1.00 0.00 N ATOM 86 CA GLU A 9 -6.821 -4.618 13.294 1.00 0.00 C ATOM 87 C GLU A 9 -6.250 -4.710 11.882 1.00 0.00 C ATOM 88 O GLU A 9 -6.308 -5.761 11.243 1.00 0.00 O ATOM 89 CB GLU A 9 -5.695 -4.350 14.295 1.00 0.00 C ATOM 90 CG GLU A 9 -6.176 -4.215 15.730 1.00 0.00 C ATOM 91 CD GLU A 9 -6.924 -2.919 15.976 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.447 -1.863 15.511 1.00 0.00 O ATOM 93 OE2 GLU A 9 -7.985 -2.961 16.633 1.00 0.00 O ATOM 0 H GLU A 9 -7.172 -6.316 14.473 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.531 -3.791 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.969 -5.161 14.239 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.175 -3.436 14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.825 -5.056 15.972 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.320 -4.269 16.403 1.00 0.00 H new ATOM 100 N THR A 10 -5.697 -3.601 11.400 1.00 0.00 N ATOM 101 CA THR A 10 -5.117 -3.555 10.064 1.00 0.00 C ATOM 102 C THR A 10 -4.183 -4.737 9.829 1.00 0.00 C ATOM 103 O THR A 10 -4.252 -5.399 8.793 1.00 0.00 O ATOM 104 CB THR A 10 -4.337 -2.246 9.835 1.00 0.00 C ATOM 105 OG1 THR A 10 -3.344 -2.083 10.853 1.00 0.00 O ATOM 106 CG2 THR A 10 -5.277 -1.049 9.839 1.00 0.00 C ATOM 0 H THR A 10 -5.639 -2.723 11.915 1.00 0.00 H new ATOM 0 HA THR A 10 -5.946 -3.604 9.358 1.00 0.00 H new ATOM 0 HB THR A 10 -3.851 -2.303 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.852 -1.250 10.699 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.704 -0.136 9.676 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.014 -1.162 9.044 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.787 -0.990 10.801 1.00 0.00 H new ATOM 114 N SER A 11 -3.310 -4.997 10.797 1.00 0.00 N ATOM 115 CA SER A 11 -2.360 -6.098 10.693 1.00 0.00 C ATOM 116 C SER A 11 -3.061 -7.383 10.263 1.00 0.00 C ATOM 117 O SER A 11 -3.615 -8.108 11.089 1.00 0.00 O ATOM 118 CB SER A 11 -1.651 -6.315 12.032 1.00 0.00 C ATOM 119 OG SER A 11 -2.585 -6.540 13.073 1.00 0.00 O ATOM 0 H SER A 11 -3.241 -4.460 11.662 1.00 0.00 H new ATOM 0 HA SER A 11 -1.621 -5.837 9.935 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.975 -7.167 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.040 -5.444 12.269 1.00 0.00 H new ATOM 0 HG SER A 11 -3.268 -7.173 12.768 1.00 0.00 H new ATOM 125 N SER A 12 -3.034 -7.657 8.962 1.00 0.00 N ATOM 126 CA SER A 12 -3.670 -8.852 8.420 1.00 0.00 C ATOM 127 C SER A 12 -2.886 -9.391 7.227 1.00 0.00 C ATOM 128 O SER A 12 -2.111 -8.667 6.601 1.00 0.00 O ATOM 129 CB SER A 12 -5.109 -8.543 8.001 1.00 0.00 C ATOM 130 OG SER A 12 -5.901 -8.190 9.121 1.00 0.00 O ATOM 0 H SER A 12 -2.579 -7.068 8.265 1.00 0.00 H new ATOM 0 HA SER A 12 -3.681 -9.614 9.200 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.113 -7.728 7.277 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.541 -9.412 7.505 1.00 0.00 H new ATOM 0 HG SER A 12 -6.815 -7.996 8.827 1.00 0.00 H new ATOM 136 N TYR A 13 -3.092 -10.666 6.919 1.00 0.00 N ATOM 137 CA TYR A 13 -2.403 -11.304 5.804 1.00 0.00 C ATOM 138 C TYR A 13 -3.081 -10.966 4.480 1.00 0.00 C ATOM 139 O TYR A 13 -4.139 -11.507 4.154 1.00 0.00 O ATOM 140 CB TYR A 13 -2.369 -12.821 5.999 1.00 0.00 C ATOM 141 CG TYR A 13 -1.155 -13.306 6.760 1.00 0.00 C ATOM 142 CD1 TYR A 13 0.128 -12.968 6.348 1.00 0.00 C ATOM 143 CD2 TYR A 13 -1.292 -14.103 7.890 1.00 0.00 C ATOM 144 CE1 TYR A 13 1.240 -13.410 7.039 1.00 0.00 C ATOM 145 CE2 TYR A 13 -0.186 -14.547 8.588 1.00 0.00 C ATOM 146 CZ TYR A 13 1.077 -14.198 8.159 1.00 0.00 C ATOM 147 OH TYR A 13 2.181 -14.640 8.851 1.00 0.00 O ATOM 0 H TYR A 13 -3.731 -11.279 7.426 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.382 -10.925 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.269 -13.131 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.393 -13.305 5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.259 -12.349 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.280 -14.380 8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.231 -13.140 6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.310 -15.164 9.465 1.00 0.00 H new ATOM 0 HH TYR A 13 2.513 -13.923 9.430 1.00 0.00 H new ATOM 157 N LEU A 14 -2.464 -10.068 3.719 1.00 0.00 N ATOM 158 CA LEU A 14 -3.006 -9.657 2.429 1.00 0.00 C ATOM 159 C LEU A 14 -2.228 -10.295 1.283 1.00 0.00 C ATOM 160 O LEU A 14 -1.117 -10.788 1.473 1.00 0.00 O ATOM 161 CB LEU A 14 -2.967 -8.133 2.300 1.00 0.00 C ATOM 162 CG LEU A 14 -3.996 -7.363 3.128 1.00 0.00 C ATOM 163 CD1 LEU A 14 -3.833 -5.865 2.924 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.408 -7.801 2.766 1.00 0.00 C ATOM 0 H LEU A 14 -1.588 -9.611 3.973 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.041 -9.995 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.972 -7.790 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.107 -7.873 1.251 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.826 -7.586 4.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.574 -5.334 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.833 -5.562 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.975 -5.624 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.127 -7.242 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.589 -7.608 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.520 -8.867 2.965 1.00 0.00 H new ATOM 176 N ASN A 15 -2.819 -10.281 0.093 1.00 0.00 N ATOM 177 CA ASN A 15 -2.180 -10.857 -1.085 1.00 0.00 C ATOM 178 C ASN A 15 -1.638 -9.764 -2.000 1.00 0.00 C ATOM 179 O ASN A 15 -2.400 -9.049 -2.651 1.00 0.00 O ATOM 180 CB ASN A 15 -3.173 -11.733 -1.852 1.00 0.00 C ATOM 181 CG ASN A 15 -3.124 -13.184 -1.412 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.047 -13.757 -1.246 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.293 -13.785 -1.223 1.00 0.00 N ATOM 0 H ASN A 15 -3.739 -9.877 -0.081 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.345 -11.472 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.182 -11.346 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.958 -11.672 -2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.323 -14.761 -0.928 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.161 -13.271 -1.373 1.00 0.00 H new ATOM 190 N VAL A 16 -0.315 -9.639 -2.045 1.00 0.00 N ATOM 191 CA VAL A 16 0.330 -8.634 -2.881 1.00 0.00 C ATOM 192 C VAL A 16 0.723 -9.216 -4.234 1.00 0.00 C ATOM 193 O VAL A 16 1.598 -10.078 -4.322 1.00 0.00 O ATOM 194 CB VAL A 16 1.585 -8.058 -2.198 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.243 -7.012 -3.086 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.229 -7.469 -0.841 1.00 0.00 C ATOM 0 H VAL A 16 0.331 -10.222 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.394 -7.833 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 16 2.297 -8.868 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.128 -6.616 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.533 -7.469 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.540 -6.201 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.127 -7.067 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.499 -6.670 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.806 -8.248 -0.206 1.00 0.00 H new ATOM 206 N LEU A 17 0.072 -8.738 -5.289 1.00 0.00 N ATOM 207 CA LEU A 17 0.354 -9.210 -6.640 1.00 0.00 C ATOM 208 C LEU A 17 1.792 -8.894 -7.039 1.00 0.00 C ATOM 209 O LEU A 17 2.204 -7.734 -7.048 1.00 0.00 O ATOM 210 CB LEU A 17 -0.615 -8.571 -7.637 1.00 0.00 C ATOM 211 CG LEU A 17 -0.670 -9.212 -9.024 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.570 -10.437 -9.011 1.00 0.00 C ATOM 213 CD2 LEU A 17 -1.153 -8.205 -10.058 1.00 0.00 C ATOM 0 H LEU A 17 -0.654 -8.024 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 17 0.222 -10.292 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.616 -8.596 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.345 -7.522 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 17 0.337 -9.529 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.597 -10.880 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.182 -11.166 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.578 -10.145 -8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.186 -8.678 -11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.150 -7.857 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.469 -7.357 -10.087 1.00 0.00 H new ATOM 225 N VAL A 18 2.551 -9.934 -7.370 1.00 0.00 N ATOM 226 CA VAL A 18 3.942 -9.768 -7.773 1.00 0.00 C ATOM 227 C VAL A 18 4.183 -10.340 -9.165 1.00 0.00 C ATOM 228 O VAL A 18 4.255 -9.602 -10.146 1.00 0.00 O ATOM 229 CB VAL A 18 4.900 -10.449 -6.777 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.329 -10.406 -7.296 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.801 -9.791 -5.409 1.00 0.00 C ATOM 0 H VAL A 18 2.226 -10.901 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 18 4.143 -8.697 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 18 4.608 -11.494 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.991 -10.892 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.385 -10.927 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.637 -9.369 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.484 -10.284 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.067 -8.737 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.781 -9.879 -5.036 1.00 0.00 H new ATOM 241 N ASN A 19 4.307 -11.661 -9.243 1.00 0.00 N ATOM 242 CA ASN A 19 4.540 -12.333 -10.516 1.00 0.00 C ATOM 243 C ASN A 19 3.223 -12.763 -11.153 1.00 0.00 C ATOM 244 O ASN A 19 2.833 -13.928 -11.073 1.00 0.00 O ATOM 245 CB ASN A 19 5.444 -13.551 -10.315 1.00 0.00 C ATOM 246 CG ASN A 19 6.839 -13.168 -9.861 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.244 -12.011 -9.973 1.00 0.00 O ATOM 248 ND2 ASN A 19 7.581 -14.141 -9.344 1.00 0.00 N ATOM 0 H ASN A 19 4.250 -12.287 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 19 5.034 -11.629 -11.185 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.995 -14.216 -9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.509 -14.109 -11.249 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.528 -13.943 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.204 -15.086 -9.271 1.00 0.00 H new ATOM 255 N SER A 20 2.541 -11.814 -11.788 1.00 0.00 N ATOM 256 CA SER A 20 1.266 -12.093 -12.437 1.00 0.00 C ATOM 257 C SER A 20 0.426 -13.050 -11.596 1.00 0.00 C ATOM 258 O SER A 20 -0.419 -13.774 -12.120 1.00 0.00 O ATOM 259 CB SER A 20 1.497 -12.687 -13.828 1.00 0.00 C ATOM 260 OG SER A 20 1.796 -11.674 -14.772 1.00 0.00 O ATOM 0 H SER A 20 2.851 -10.845 -11.866 1.00 0.00 H new ATOM 0 HA SER A 20 0.724 -11.153 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.316 -13.405 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.609 -13.234 -14.145 1.00 0.00 H new ATOM 0 HG SER A 20 1.941 -12.080 -15.652 1.00 0.00 H new ATOM 266 N GLN A 21 0.666 -13.045 -10.288 1.00 0.00 N ATOM 267 CA GLN A 21 -0.067 -13.913 -9.374 1.00 0.00 C ATOM 268 C GLN A 21 -0.155 -13.290 -7.985 1.00 0.00 C ATOM 269 O GLN A 21 0.609 -12.384 -7.651 1.00 0.00 O ATOM 270 CB GLN A 21 0.605 -15.284 -9.290 1.00 0.00 C ATOM 271 CG GLN A 21 0.291 -16.190 -10.469 1.00 0.00 C ATOM 272 CD GLN A 21 0.891 -17.574 -10.319 1.00 0.00 C ATOM 273 OE1 GLN A 21 2.027 -17.818 -10.726 1.00 0.00 O ATOM 274 NE2 GLN A 21 0.129 -18.489 -9.732 1.00 0.00 N ATOM 0 H GLN A 21 1.362 -12.450 -9.838 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.078 -14.036 -9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.684 -15.147 -9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.291 -15.777 -8.370 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.790 -16.277 -10.577 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.667 -15.732 -11.384 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.807 -18.243 -9.410 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.480 -19.438 -9.603 1.00 0.00 H new ATOM 283 N TRP A 22 -1.090 -13.780 -7.181 1.00 0.00 N ATOM 284 CA TRP A 22 -1.278 -13.270 -5.827 1.00 0.00 C ATOM 285 C TRP A 22 -0.459 -14.076 -4.824 1.00 0.00 C ATOM 286 O TRP A 22 -0.714 -15.261 -4.609 1.00 0.00 O ATOM 287 CB TRP A 22 -2.759 -13.311 -5.445 1.00 0.00 C ATOM 288 CG TRP A 22 -3.631 -12.509 -6.363 1.00 0.00 C ATOM 289 CD1 TRP A 22 -4.292 -12.962 -7.469 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.934 -11.114 -6.255 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.989 -11.933 -8.055 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.786 -10.789 -7.329 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.571 -10.109 -5.356 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -5.278 -9.501 -7.525 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -4.059 -8.831 -5.552 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.906 -8.536 -6.629 1.00 0.00 C ATOM 0 H TRP A 22 -1.730 -14.530 -7.442 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.933 -12.236 -5.803 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.099 -14.347 -5.446 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.875 -12.938 -4.427 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.270 -13.980 -7.830 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.564 -12.009 -8.894 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.920 -10.327 -4.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.930 -9.272 -8.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.783 -8.046 -4.863 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.272 -7.528 -6.754 1.00 0.00 H new ATOM 307 N LYS A 23 0.524 -13.425 -4.212 1.00 0.00 N ATOM 308 CA LYS A 23 1.380 -14.080 -3.229 1.00 0.00 C ATOM 309 C LYS A 23 0.935 -13.744 -1.810 1.00 0.00 C ATOM 310 O LYS A 23 0.264 -12.737 -1.581 1.00 0.00 O ATOM 311 CB LYS A 23 2.838 -13.659 -3.431 1.00 0.00 C ATOM 312 CG LYS A 23 3.299 -13.738 -4.876 1.00 0.00 C ATOM 313 CD LYS A 23 3.958 -15.073 -5.179 1.00 0.00 C ATOM 314 CE LYS A 23 3.626 -15.553 -6.583 1.00 0.00 C ATOM 315 NZ LYS A 23 4.709 -16.405 -7.149 1.00 0.00 N ATOM 0 H LYS A 23 0.748 -12.444 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 23 1.296 -15.157 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.965 -12.637 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.479 -14.293 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.446 -13.593 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.002 -12.930 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.039 -14.979 -5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.629 -15.816 -4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.693 -16.117 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.464 -14.692 -7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.444 -16.712 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.593 -15.859 -7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.846 -17.239 -6.544 1.00 0.00 H new ATOM 329 N SER A 24 1.313 -14.592 -0.859 1.00 0.00 N ATOM 330 CA SER A 24 0.951 -14.385 0.538 1.00 0.00 C ATOM 331 C SER A 24 1.944 -13.453 1.225 1.00 0.00 C ATOM 332 O SER A 24 3.052 -13.859 1.576 1.00 0.00 O ATOM 333 CB SER A 24 0.897 -15.725 1.276 1.00 0.00 C ATOM 334 OG SER A 24 2.092 -16.461 1.086 1.00 0.00 O ATOM 0 H SER A 24 1.870 -15.429 -1.031 1.00 0.00 H new ATOM 0 HA SER A 24 -0.035 -13.921 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.739 -15.551 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.047 -16.307 0.918 1.00 0.00 H new ATOM 0 HG SER A 24 2.863 -15.890 1.287 1.00 0.00 H new ATOM 340 N ARG A 25 1.539 -12.202 1.413 1.00 0.00 N ATOM 341 CA ARG A 25 2.392 -11.210 2.057 1.00 0.00 C ATOM 342 C ARG A 25 1.686 -10.578 3.252 1.00 0.00 C ATOM 343 O ARG A 25 0.461 -10.457 3.268 1.00 0.00 O ATOM 344 CB ARG A 25 2.794 -10.126 1.056 1.00 0.00 C ATOM 345 CG ARG A 25 3.742 -9.086 1.632 1.00 0.00 C ATOM 346 CD ARG A 25 5.196 -9.488 1.435 1.00 0.00 C ATOM 347 NE ARG A 25 5.705 -9.076 0.130 1.00 0.00 N ATOM 348 CZ ARG A 25 6.739 -9.655 -0.471 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.370 -10.664 0.113 1.00 0.00 N ATOM 350 NH2 ARG A 25 7.143 -9.224 -1.659 1.00 0.00 N ATOM 0 H ARG A 25 0.625 -11.851 1.128 1.00 0.00 H new ATOM 0 HA ARG A 25 3.289 -11.716 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.265 -10.597 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.895 -9.626 0.695 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.562 -8.123 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.540 -8.957 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.806 -9.040 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.290 -10.569 1.536 1.00 0.00 H new ATOM 0 HE ARG A 25 5.242 -8.302 -0.346 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.062 -10.998 1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.163 -11.106 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.660 -8.448 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.937 -9.669 -2.120 1.00 0.00 H new ATOM 364 N TRP A 26 2.465 -10.178 4.250 1.00 0.00 N ATOM 365 CA TRP A 26 1.914 -9.558 5.450 1.00 0.00 C ATOM 366 C TRP A 26 2.003 -8.039 5.368 1.00 0.00 C ATOM 367 O TRP A 26 3.065 -7.457 5.593 1.00 0.00 O ATOM 368 CB TRP A 26 2.652 -10.059 6.692 1.00 0.00 C ATOM 369 CG TRP A 26 1.992 -9.659 7.977 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.454 -8.440 8.278 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.800 -10.481 9.134 1.00 0.00 C ATOM 372 NE1 TRP A 26 0.941 -8.454 9.552 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.139 -9.695 10.098 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.121 -11.804 9.448 1.00 0.00 C ATOM 375 CZ2 TRP A 26 0.796 -10.190 11.353 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.780 -12.294 10.695 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.122 -11.489 11.635 1.00 0.00 C ATOM 0 H TRP A 26 3.481 -10.272 4.252 1.00 0.00 H new ATOM 0 HA TRP A 26 0.863 -9.837 5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.722 -11.146 6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.672 -9.674 6.680 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.435 -7.590 7.612 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.486 -7.668 10.016 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.626 -12.433 8.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.290 -9.571 12.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.025 -13.315 10.949 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.867 -11.902 12.600 1.00 0.00 H new ATOM 388 N CYS A 27 0.883 -7.401 5.045 1.00 0.00 N ATOM 389 CA CYS A 27 0.836 -5.948 4.933 1.00 0.00 C ATOM 390 C CYS A 27 0.489 -5.310 6.275 1.00 0.00 C ATOM 391 O CYS A 27 -0.341 -5.827 7.022 1.00 0.00 O ATOM 392 CB CYS A 27 -0.187 -5.530 3.876 1.00 0.00 C ATOM 393 SG CYS A 27 0.169 -6.153 2.217 1.00 0.00 S ATOM 0 H CYS A 27 -0.004 -7.867 4.856 1.00 0.00 H new ATOM 0 HA CYS A 27 1.823 -5.599 4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.173 -5.882 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.234 -4.442 3.841 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.753 -5.749 1.394 1.00 0.00 H new ATOM 399 N SER A 28 1.131 -4.185 6.573 1.00 0.00 N ATOM 400 CA SER A 28 0.895 -3.480 7.827 1.00 0.00 C ATOM 401 C SER A 28 0.996 -1.970 7.629 1.00 0.00 C ATOM 402 O SER A 28 2.008 -1.463 7.145 1.00 0.00 O ATOM 403 CB SER A 28 1.897 -3.935 8.890 1.00 0.00 C ATOM 404 OG SER A 28 1.398 -5.042 9.621 1.00 0.00 O ATOM 0 H SER A 28 1.818 -3.742 5.963 1.00 0.00 H new ATOM 0 HA SER A 28 -0.114 -3.718 8.164 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.840 -4.205 8.414 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.108 -3.111 9.571 1.00 0.00 H new ATOM 0 HG SER A 28 0.771 -5.547 9.062 1.00 0.00 H new ATOM 410 N VAL A 29 -0.060 -1.258 8.006 1.00 0.00 N ATOM 411 CA VAL A 29 -0.091 0.194 7.872 1.00 0.00 C ATOM 412 C VAL A 29 -0.049 0.873 9.236 1.00 0.00 C ATOM 413 O VAL A 29 -0.799 0.513 10.143 1.00 0.00 O ATOM 414 CB VAL A 29 -1.350 0.661 7.117 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.383 2.178 7.020 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.406 0.029 5.734 1.00 0.00 C ATOM 0 H VAL A 29 -0.906 -1.663 8.407 1.00 0.00 H new ATOM 0 HA VAL A 29 0.793 0.478 7.301 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.228 0.338 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.279 2.489 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.393 2.607 8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.500 2.528 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.302 0.370 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.523 0.320 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.433 -1.056 5.831 1.00 0.00 H new ATOM 426 N ARG A 30 0.833 1.858 9.373 1.00 0.00 N ATOM 427 CA ARG A 30 0.974 2.588 10.627 1.00 0.00 C ATOM 428 C ARG A 30 0.869 4.092 10.395 1.00 0.00 C ATOM 429 O ARG A 30 -0.155 4.707 10.695 1.00 0.00 O ATOM 430 CB ARG A 30 2.312 2.255 11.289 1.00 0.00 C ATOM 431 CG ARG A 30 2.552 3.004 12.589 1.00 0.00 C ATOM 432 CD ARG A 30 4.036 3.216 12.844 1.00 0.00 C ATOM 433 NE ARG A 30 4.755 1.952 12.982 1.00 0.00 N ATOM 434 CZ ARG A 30 6.069 1.869 13.153 1.00 0.00 C ATOM 435 NH1 ARG A 30 6.805 2.970 13.208 1.00 0.00 N ATOM 436 NH2 ARG A 30 6.650 0.681 13.270 1.00 0.00 N ATOM 0 H ARG A 30 1.460 2.169 8.631 1.00 0.00 H new ATOM 0 HA ARG A 30 0.164 2.282 11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.354 1.183 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.119 2.485 10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.046 3.969 12.553 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.115 2.446 13.417 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.466 3.790 12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.167 3.808 13.750 1.00 0.00 H new ATOM 0 HE ARG A 30 4.218 1.086 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.362 3.884 13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.814 2.903 13.339 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.087 -0.168 13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.660 0.618 13.401 1.00 0.00 H new ATOM 450 N ASP A 31 1.935 4.679 9.861 1.00 0.00 N ATOM 451 CA ASP A 31 1.963 6.111 9.588 1.00 0.00 C ATOM 452 C ASP A 31 1.799 6.383 8.096 1.00 0.00 C ATOM 453 O ASP A 31 2.780 6.452 7.357 1.00 0.00 O ATOM 454 CB ASP A 31 3.272 6.722 10.090 1.00 0.00 C ATOM 455 CG ASP A 31 3.620 8.013 9.377 1.00 0.00 C ATOM 456 OD1 ASP A 31 2.913 9.019 9.594 1.00 0.00 O ATOM 457 OD2 ASP A 31 4.598 8.018 8.600 1.00 0.00 O ATOM 0 H ASP A 31 2.791 4.185 9.609 1.00 0.00 H new ATOM 0 HA ASP A 31 1.129 6.573 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.194 6.911 11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.081 6.005 9.951 1.00 0.00 H new ATOM 462 N ASN A 32 0.553 6.536 7.661 1.00 0.00 N ATOM 463 CA ASN A 32 0.260 6.799 6.257 1.00 0.00 C ATOM 464 C ASN A 32 1.273 6.105 5.351 1.00 0.00 C ATOM 465 O ASN A 32 1.694 6.658 4.335 1.00 0.00 O ATOM 466 CB ASN A 32 0.266 8.305 5.987 1.00 0.00 C ATOM 467 CG ASN A 32 -0.576 9.075 6.986 1.00 0.00 C ATOM 468 OD1 ASN A 32 -1.872 8.789 7.012 1.00 0.00 O flip ATOM 469 ND2 ASN A 32 -0.066 9.917 7.726 1.00 0.00 N flip ATOM 0 H ASN A 32 -0.270 6.482 8.261 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.731 6.401 6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.291 8.673 6.020 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.108 8.492 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.935 10.104 7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.645 10.427 8.393 1.00 0.00 H new ATOM 476 N HIS A 33 1.659 4.890 5.726 1.00 0.00 N ATOM 477 CA HIS A 33 2.621 4.119 4.948 1.00 0.00 C ATOM 478 C HIS A 33 2.327 2.625 5.046 1.00 0.00 C ATOM 479 O HIS A 33 2.110 2.095 6.136 1.00 0.00 O ATOM 480 CB HIS A 33 4.044 4.403 5.429 1.00 0.00 C ATOM 481 CG HIS A 33 4.643 5.639 4.831 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.441 6.900 5.349 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.445 5.801 3.753 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.091 7.785 4.614 1.00 0.00 C ATOM 485 NE2 HIS A 33 5.709 7.144 3.639 1.00 0.00 N ATOM 0 H HIS A 33 1.320 4.418 6.564 1.00 0.00 H new ATOM 0 HA HIS A 33 2.532 4.421 3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.039 4.500 6.515 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.677 3.549 5.188 1.00 0.00 H new ATOM 0 HD1 HIS A 33 3.878 7.116 6.171 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.810 5.019 3.103 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.113 8.852 4.782 1.00 0.00 H new ATOM 494 N LEU A 34 2.322 1.951 3.901 1.00 0.00 N ATOM 495 CA LEU A 34 2.054 0.518 3.858 1.00 0.00 C ATOM 496 C LEU A 34 3.354 -0.278 3.819 1.00 0.00 C ATOM 497 O LEU A 34 4.041 -0.316 2.797 1.00 0.00 O ATOM 498 CB LEU A 34 1.196 0.176 2.638 1.00 0.00 C ATOM 499 CG LEU A 34 1.225 -1.284 2.186 1.00 0.00 C ATOM 500 CD1 LEU A 34 1.065 -2.215 3.378 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.137 -1.544 1.154 1.00 0.00 C ATOM 0 H LEU A 34 2.501 2.374 2.990 1.00 0.00 H new ATOM 0 HA LEU A 34 1.511 0.247 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.163 0.447 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.519 0.800 1.805 1.00 0.00 H new ATOM 0 HG LEU A 34 2.192 -1.482 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.088 -3.250 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.879 -2.047 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.113 -2.016 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.172 -2.588 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.838 -1.328 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.296 -0.902 0.288 1.00 0.00 H new ATOM 513 N HIS A 35 3.686 -0.915 4.937 1.00 0.00 N ATOM 514 CA HIS A 35 4.904 -1.713 5.030 1.00 0.00 C ATOM 515 C HIS A 35 4.650 -3.146 4.570 1.00 0.00 C ATOM 516 O HIS A 35 3.503 -3.574 4.444 1.00 0.00 O ATOM 517 CB HIS A 35 5.432 -1.712 6.465 1.00 0.00 C ATOM 518 CG HIS A 35 5.786 -0.347 6.971 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.086 0.090 7.111 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.000 0.680 7.371 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.085 1.326 7.576 1.00 0.00 C ATOM 522 NE2 HIS A 35 5.832 1.708 7.742 1.00 0.00 N ATOM 0 H HIS A 35 3.129 -0.894 5.791 1.00 0.00 H new ATOM 0 HA HIS A 35 5.653 -1.266 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.680 -2.150 7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.313 -2.351 6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.920 0.689 7.394 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.960 1.923 7.785 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.531 2.619 8.089 1.00 0.00 H new ATOM 531 N PHE A 36 5.728 -3.882 4.321 1.00 0.00 N ATOM 532 CA PHE A 36 5.622 -5.266 3.874 1.00 0.00 C ATOM 533 C PHE A 36 6.456 -6.188 4.758 1.00 0.00 C ATOM 534 O PHE A 36 7.626 -5.918 5.027 1.00 0.00 O ATOM 535 CB PHE A 36 6.076 -5.389 2.418 1.00 0.00 C ATOM 536 CG PHE A 36 5.184 -4.668 1.448 1.00 0.00 C ATOM 537 CD1 PHE A 36 5.089 -3.286 1.471 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.441 -5.372 0.514 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.269 -2.618 0.580 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.620 -4.710 -0.379 1.00 0.00 C ATOM 541 CZ PHE A 36 3.533 -3.332 -0.345 1.00 0.00 C ATOM 0 H PHE A 36 6.685 -3.543 4.421 1.00 0.00 H new ATOM 0 HA PHE A 36 4.577 -5.567 3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.089 -4.997 2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.117 -6.444 2.147 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.662 -2.724 2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.504 -6.450 0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.204 -1.540 0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.047 -5.270 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.890 -2.814 -1.041 1.00 0.00 H new ATOM 551 N TYR A 37 5.844 -7.278 5.207 1.00 0.00 N ATOM 552 CA TYR A 37 6.527 -8.240 6.064 1.00 0.00 C ATOM 553 C TYR A 37 6.294 -9.667 5.576 1.00 0.00 C ATOM 554 O TYR A 37 5.432 -9.912 4.732 1.00 0.00 O ATOM 555 CB TYR A 37 6.046 -8.099 7.509 1.00 0.00 C ATOM 556 CG TYR A 37 6.291 -6.728 8.098 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.344 -5.719 7.976 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.469 -6.443 8.778 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.565 -4.465 8.511 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.697 -5.192 9.318 1.00 0.00 C ATOM 561 CZ TYR A 37 6.742 -4.206 9.182 1.00 0.00 C ATOM 562 OH TYR A 37 6.964 -2.959 9.718 1.00 0.00 O ATOM 0 H TYR A 37 4.876 -7.518 4.992 1.00 0.00 H new ATOM 0 HA TYR A 37 7.596 -8.031 6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.979 -8.318 7.551 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.549 -8.845 8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.420 -5.918 7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.219 -7.213 8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.820 -3.691 8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.618 -4.987 9.844 1.00 0.00 H new ATOM 0 HH TYR A 37 7.839 -2.943 10.158 1.00 0.00 H new ATOM 572 N GLN A 38 7.069 -10.603 6.113 1.00 0.00 N ATOM 573 CA GLN A 38 6.947 -12.006 5.733 1.00 0.00 C ATOM 574 C GLN A 38 6.436 -12.844 6.899 1.00 0.00 C ATOM 575 O GLN A 38 5.434 -13.548 6.778 1.00 0.00 O ATOM 576 CB GLN A 38 8.297 -12.544 5.254 1.00 0.00 C ATOM 577 CG GLN A 38 8.622 -12.179 3.815 1.00 0.00 C ATOM 578 CD GLN A 38 8.111 -13.205 2.822 1.00 0.00 C ATOM 579 OE1 GLN A 38 6.967 -12.921 2.212 1.00 0.00 O flip ATOM 580 NE2 GLN A 38 8.739 -14.242 2.606 1.00 0.00 N flip ATOM 0 H GLN A 38 7.788 -10.416 6.812 1.00 0.00 H new ATOM 0 HA GLN A 38 6.226 -12.075 4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.083 -12.159 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.303 -13.629 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.186 -11.207 3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.702 -12.079 3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.615 -14.420 3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.383 -14.923 1.935 1.00 0.00 H new ATOM 589 N ASP A 39 7.132 -12.764 8.028 1.00 0.00 N ATOM 590 CA ASP A 39 6.749 -13.516 9.218 1.00 0.00 C ATOM 591 C ASP A 39 6.102 -12.601 10.253 1.00 0.00 C ATOM 592 O ASP A 39 6.358 -11.397 10.278 1.00 0.00 O ATOM 593 CB ASP A 39 7.969 -14.210 9.824 1.00 0.00 C ATOM 594 CG ASP A 39 8.466 -15.359 8.969 1.00 0.00 C ATOM 595 OD1 ASP A 39 7.663 -16.268 8.672 1.00 0.00 O ATOM 596 OD2 ASP A 39 9.658 -15.348 8.596 1.00 0.00 O ATOM 0 H ASP A 39 7.964 -12.186 8.144 1.00 0.00 H new ATOM 0 HA ASP A 39 6.022 -14.272 8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.771 -13.483 9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.716 -14.583 10.816 1.00 0.00 H new ATOM 601 N ARG A 40 5.262 -13.180 11.105 1.00 0.00 N ATOM 602 CA ARG A 40 4.577 -12.417 12.140 1.00 0.00 C ATOM 603 C ARG A 40 5.569 -11.591 12.954 1.00 0.00 C ATOM 604 O ARG A 40 5.256 -10.487 13.398 1.00 0.00 O ATOM 605 CB ARG A 40 3.799 -13.355 13.065 1.00 0.00 C ATOM 606 CG ARG A 40 4.688 -14.245 13.917 1.00 0.00 C ATOM 607 CD ARG A 40 5.261 -15.399 13.108 1.00 0.00 C ATOM 608 NE ARG A 40 5.755 -16.475 13.963 1.00 0.00 N ATOM 609 CZ ARG A 40 4.971 -17.398 14.509 1.00 0.00 C ATOM 610 NH1 ARG A 40 3.663 -17.376 14.290 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.495 -18.346 15.275 1.00 0.00 N ATOM 0 H ARG A 40 5.040 -14.175 11.098 1.00 0.00 H new ATOM 0 HA ARG A 40 3.879 -11.737 11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 40 3.161 -12.760 13.719 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.141 -13.982 12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.502 -13.654 14.336 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.114 -14.637 14.757 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.493 -15.790 12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.073 -15.033 12.480 1.00 0.00 H new ATOM 0 HE ARG A 40 6.756 -16.520 14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.257 -16.649 13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.063 -18.086 14.711 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.501 -18.366 15.445 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.892 -19.054 15.694 1.00 0.00 H new ATOM 625 N ASN A 41 6.767 -12.134 13.144 1.00 0.00 N ATOM 626 CA ASN A 41 7.805 -11.448 13.905 1.00 0.00 C ATOM 627 C ASN A 41 8.090 -10.070 13.316 1.00 0.00 C ATOM 628 O ASN A 41 8.482 -9.148 14.031 1.00 0.00 O ATOM 629 CB ASN A 41 9.088 -12.282 13.924 1.00 0.00 C ATOM 630 CG ASN A 41 8.879 -13.651 14.543 1.00 0.00 C ATOM 631 OD1 ASN A 41 7.965 -13.849 15.344 1.00 0.00 O ATOM 632 ND2 ASN A 41 9.727 -14.603 14.174 1.00 0.00 N ATOM 0 H ASN A 41 7.043 -13.047 12.782 1.00 0.00 H new ATOM 0 HA ASN A 41 7.447 -11.320 14.927 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.457 -12.400 12.905 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.857 -11.748 14.482 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.636 -15.544 14.557 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.470 -14.394 13.507 1.00 0.00 H new ATOM 639 N ARG A 42 7.889 -9.938 12.009 1.00 0.00 N ATOM 640 CA ARG A 42 8.125 -8.673 11.324 1.00 0.00 C ATOM 641 C ARG A 42 9.569 -8.215 11.509 1.00 0.00 C ATOM 642 O ARG A 42 9.833 -7.032 11.721 1.00 0.00 O ATOM 643 CB ARG A 42 7.168 -7.599 11.847 1.00 0.00 C ATOM 644 CG ARG A 42 5.725 -7.809 11.418 1.00 0.00 C ATOM 645 CD ARG A 42 4.948 -6.502 11.419 1.00 0.00 C ATOM 646 NE ARG A 42 3.531 -6.708 11.709 1.00 0.00 N ATOM 647 CZ ARG A 42 2.702 -5.730 12.056 1.00 0.00 C ATOM 648 NH1 ARG A 42 3.146 -4.484 12.155 1.00 0.00 N ATOM 649 NH2 ARG A 42 1.426 -5.996 12.304 1.00 0.00 N ATOM 0 H ARG A 42 7.563 -10.691 11.403 1.00 0.00 H new ATOM 0 HA ARG A 42 7.944 -8.826 10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.216 -7.581 12.936 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.504 -6.623 11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.701 -8.247 10.420 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.244 -8.520 12.090 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.375 -5.827 12.160 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.053 -6.017 10.448 1.00 0.00 H new ATOM 0 HE ARG A 42 3.158 -7.655 11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.126 -4.275 11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.507 -3.735 12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.080 -6.953 12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.791 -5.244 12.570 1.00 0.00 H new ATOM 663 N SER A 43 10.499 -9.161 11.427 1.00 0.00 N ATOM 664 CA SER A 43 11.916 -8.857 11.589 1.00 0.00 C ATOM 665 C SER A 43 12.591 -8.678 10.233 1.00 0.00 C ATOM 666 O SER A 43 13.420 -7.785 10.051 1.00 0.00 O ATOM 667 CB SER A 43 12.611 -9.969 12.375 1.00 0.00 C ATOM 668 OG SER A 43 12.277 -9.907 13.751 1.00 0.00 O ATOM 0 H SER A 43 10.297 -10.145 11.249 1.00 0.00 H new ATOM 0 HA SER A 43 12.001 -7.923 12.144 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.322 -10.939 11.971 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.691 -9.883 12.256 1.00 0.00 H new ATOM 0 HG SER A 43 12.733 -10.630 14.231 1.00 0.00 H new ATOM 674 N LYS A 44 12.231 -9.533 9.282 1.00 0.00 N ATOM 675 CA LYS A 44 12.800 -9.471 7.941 1.00 0.00 C ATOM 676 C LYS A 44 11.832 -8.804 6.969 1.00 0.00 C ATOM 677 O LYS A 44 11.159 -9.476 6.187 1.00 0.00 O ATOM 678 CB LYS A 44 13.147 -10.877 7.446 1.00 0.00 C ATOM 679 CG LYS A 44 14.296 -11.522 8.203 1.00 0.00 C ATOM 680 CD LYS A 44 15.642 -11.106 7.634 1.00 0.00 C ATOM 681 CE LYS A 44 16.711 -12.152 7.911 1.00 0.00 C ATOM 682 NZ LYS A 44 16.472 -13.406 7.144 1.00 0.00 N ATOM 0 H LYS A 44 11.547 -10.278 9.415 1.00 0.00 H new ATOM 0 HA LYS A 44 13.710 -8.873 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.265 -11.511 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.402 -10.828 6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.242 -11.242 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.200 -12.607 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.552 -10.952 6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.943 -10.153 8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.690 -11.749 7.651 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.731 -12.377 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.367 -13.925 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.786 -13.999 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.096 -13.171 6.203 1.00 0.00 H new ATOM 696 N VAL A 45 11.767 -7.477 7.023 1.00 0.00 N ATOM 697 CA VAL A 45 10.883 -6.719 6.146 1.00 0.00 C ATOM 698 C VAL A 45 10.994 -7.200 4.704 1.00 0.00 C ATOM 699 O VAL A 45 12.040 -7.058 4.071 1.00 0.00 O ATOM 700 CB VAL A 45 11.197 -5.212 6.199 1.00 0.00 C ATOM 701 CG1 VAL A 45 10.293 -4.444 5.246 1.00 0.00 C ATOM 702 CG2 VAL A 45 11.056 -4.688 7.620 1.00 0.00 C ATOM 0 H VAL A 45 12.316 -6.905 7.665 1.00 0.00 H new ATOM 0 HA VAL A 45 9.866 -6.883 6.503 1.00 0.00 H new ATOM 0 HB VAL A 45 12.229 -5.062 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.529 -3.381 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.449 -4.802 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.252 -4.598 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.282 -3.622 7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.036 -4.849 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.750 -5.217 8.273 1.00 0.00 H new ATOM 712 N ALA A 46 9.909 -7.770 4.190 1.00 0.00 N ATOM 713 CA ALA A 46 9.884 -8.270 2.822 1.00 0.00 C ATOM 714 C ALA A 46 10.504 -7.264 1.858 1.00 0.00 C ATOM 715 O ALA A 46 11.344 -7.619 1.032 1.00 0.00 O ATOM 716 CB ALA A 46 8.457 -8.593 2.404 1.00 0.00 C ATOM 0 H ALA A 46 9.036 -7.897 4.701 1.00 0.00 H new ATOM 0 HA ALA A 46 10.478 -9.183 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.453 -8.966 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.047 -9.354 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.847 -7.691 2.464 1.00 0.00 H new ATOM 722 N GLN A 47 10.084 -6.008 1.970 1.00 0.00 N ATOM 723 CA GLN A 47 10.598 -4.951 1.107 1.00 0.00 C ATOM 724 C GLN A 47 10.245 -3.575 1.662 1.00 0.00 C ATOM 725 O GLN A 47 9.408 -3.453 2.556 1.00 0.00 O ATOM 726 CB GLN A 47 10.038 -5.102 -0.309 1.00 0.00 C ATOM 727 CG GLN A 47 8.519 -5.069 -0.369 1.00 0.00 C ATOM 728 CD GLN A 47 7.983 -5.401 -1.747 1.00 0.00 C ATOM 729 OE1 GLN A 47 8.696 -5.948 -2.589 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.719 -5.071 -1.986 1.00 0.00 N ATOM 0 H GLN A 47 9.390 -5.698 2.650 1.00 0.00 H new ATOM 0 HA GLN A 47 11.684 -5.041 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.436 -4.303 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.390 -6.043 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.115 -5.777 0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.169 -4.079 -0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.164 -4.619 -1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.303 -5.270 -2.896 1.00 0.00 H new ATOM 739 N GLN A 48 10.889 -2.543 1.125 1.00 0.00 N ATOM 740 CA GLN A 48 10.643 -1.176 1.569 1.00 0.00 C ATOM 741 C GLN A 48 9.148 -0.890 1.649 1.00 0.00 C ATOM 742 O GLN A 48 8.341 -1.467 0.919 1.00 0.00 O ATOM 743 CB GLN A 48 11.315 -0.182 0.620 1.00 0.00 C ATOM 744 CG GLN A 48 12.739 0.171 1.016 1.00 0.00 C ATOM 745 CD GLN A 48 13.547 0.723 -0.142 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.164 1.714 -0.764 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.673 0.083 -0.438 1.00 0.00 N ATOM 0 H GLN A 48 11.584 -2.628 0.383 1.00 0.00 H new ATOM 0 HA GLN A 48 11.069 -1.062 2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.320 -0.600 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.720 0.731 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.717 0.905 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.234 -0.717 1.408 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.953 -0.735 0.104 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.258 0.409 -1.207 1.00 0.00 H new ATOM 756 N PRO A 49 8.766 0.021 2.556 1.00 0.00 N ATOM 757 CA PRO A 49 7.365 0.404 2.753 1.00 0.00 C ATOM 758 C PRO A 49 6.811 1.200 1.577 1.00 0.00 C ATOM 759 O PRO A 49 7.537 1.522 0.635 1.00 0.00 O ATOM 760 CB PRO A 49 7.408 1.272 4.013 1.00 0.00 C ATOM 761 CG PRO A 49 8.795 1.814 4.052 1.00 0.00 C ATOM 762 CD PRO A 49 9.674 0.748 3.460 1.00 0.00 C ATOM 0 HA PRO A 49 6.713 -0.465 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.671 2.074 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.187 0.686 4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.868 2.740 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.095 2.044 5.074 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.519 1.177 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.085 0.093 4.229 1.00 0.00 H new ATOM 770 N LEU A 50 5.522 1.515 1.637 1.00 0.00 N ATOM 771 CA LEU A 50 4.870 2.275 0.576 1.00 0.00 C ATOM 772 C LEU A 50 4.372 3.620 1.096 1.00 0.00 C ATOM 773 O LEU A 50 3.864 3.715 2.212 1.00 0.00 O ATOM 774 CB LEU A 50 3.702 1.477 -0.007 1.00 0.00 C ATOM 775 CG LEU A 50 4.035 0.565 -1.188 1.00 0.00 C ATOM 776 CD1 LEU A 50 2.770 -0.068 -1.747 1.00 0.00 C ATOM 777 CD2 LEU A 50 4.768 1.343 -2.272 1.00 0.00 C ATOM 0 H LEU A 50 4.908 1.256 2.409 1.00 0.00 H new ATOM 0 HA LEU A 50 5.604 2.459 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.273 0.867 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.930 2.179 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 50 4.689 -0.232 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.027 -0.714 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.285 -0.659 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.091 0.714 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.997 0.678 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.138 2.160 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.695 1.748 -1.866 1.00 0.00 H new ATOM 789 N SER A 51 4.521 4.657 0.277 1.00 0.00 N ATOM 790 CA SER A 51 4.088 5.997 0.655 1.00 0.00 C ATOM 791 C SER A 51 2.672 6.271 0.158 1.00 0.00 C ATOM 792 O SER A 51 2.475 6.983 -0.828 1.00 0.00 O ATOM 793 CB SER A 51 5.051 7.044 0.092 1.00 0.00 C ATOM 794 OG SER A 51 5.042 7.035 -1.325 1.00 0.00 O ATOM 0 H SER A 51 4.938 4.595 -0.652 1.00 0.00 H new ATOM 0 HA SER A 51 4.090 6.060 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.770 8.033 0.454 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.060 6.846 0.454 1.00 0.00 H new ATOM 0 HG SER A 51 4.116 7.011 -1.646 1.00 0.00 H new ATOM 800 N LEU A 52 1.690 5.701 0.847 1.00 0.00 N ATOM 801 CA LEU A 52 0.291 5.883 0.476 1.00 0.00 C ATOM 802 C LEU A 52 -0.033 7.360 0.278 1.00 0.00 C ATOM 803 O LEU A 52 -0.838 7.720 -0.581 1.00 0.00 O ATOM 804 CB LEU A 52 -0.623 5.289 1.550 1.00 0.00 C ATOM 805 CG LEU A 52 -0.368 3.826 1.914 1.00 0.00 C ATOM 806 CD1 LEU A 52 -0.994 3.494 3.260 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.909 2.905 0.830 1.00 0.00 C ATOM 0 H LEU A 52 1.836 5.109 1.665 1.00 0.00 H new ATOM 0 HA LEU A 52 0.121 5.363 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.526 5.890 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.655 5.384 1.213 1.00 0.00 H new ATOM 0 HG LEU A 52 0.708 3.672 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.802 2.449 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.559 4.131 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.070 3.664 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.719 1.868 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.982 3.061 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.414 3.126 -0.116 1.00 0.00 H new ATOM 819 N VAL A 53 0.603 8.212 1.076 1.00 0.00 N ATOM 820 CA VAL A 53 0.386 9.651 0.986 1.00 0.00 C ATOM 821 C VAL A 53 0.674 10.163 -0.421 1.00 0.00 C ATOM 822 O VAL A 53 1.821 10.439 -0.770 1.00 0.00 O ATOM 823 CB VAL A 53 1.269 10.416 1.990 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.077 11.917 1.835 1.00 0.00 C ATOM 825 CG2 VAL A 53 0.962 9.975 3.413 1.00 0.00 C ATOM 0 H VAL A 53 1.273 7.930 1.792 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.662 9.829 1.227 1.00 0.00 H new ATOM 0 HB VAL A 53 2.313 10.184 1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.709 12.441 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.351 12.216 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.033 12.171 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.595 10.526 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.085 10.176 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.156 8.907 3.513 1.00 0.00 H new ATOM 835 N GLY A 54 -0.377 10.289 -1.226 1.00 0.00 N ATOM 836 CA GLY A 54 -0.217 10.769 -2.586 1.00 0.00 C ATOM 837 C GLY A 54 -0.672 9.754 -3.616 1.00 0.00 C ATOM 838 O GLY A 54 -0.526 9.973 -4.819 1.00 0.00 O ATOM 0 H GLY A 54 -1.336 10.067 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.786 11.690 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.831 11.015 -2.761 1.00 0.00 H new ATOM 842 N CYS A 55 -1.223 8.642 -3.144 1.00 0.00 N ATOM 843 CA CYS A 55 -1.700 7.588 -4.033 1.00 0.00 C ATOM 844 C CYS A 55 -3.224 7.528 -4.038 1.00 0.00 C ATOM 845 O CYS A 55 -3.888 8.349 -3.407 1.00 0.00 O ATOM 846 CB CYS A 55 -1.125 6.235 -3.609 1.00 0.00 C ATOM 847 SG CYS A 55 0.592 6.307 -3.046 1.00 0.00 S ATOM 0 H CYS A 55 -1.351 8.446 -2.151 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.361 7.818 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.742 5.825 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.192 5.544 -4.449 1.00 0.00 H new ATOM 0 HG CYS A 55 0.988 5.116 -2.707 1.00 0.00 H new ATOM 853 N GLU A 56 -3.770 6.551 -4.755 1.00 0.00 N ATOM 854 CA GLU A 56 -5.216 6.386 -4.843 1.00 0.00 C ATOM 855 C GLU A 56 -5.594 4.908 -4.888 1.00 0.00 C ATOM 856 O GLU A 56 -5.113 4.158 -5.738 1.00 0.00 O ATOM 857 CB GLU A 56 -5.758 7.100 -6.083 1.00 0.00 C ATOM 858 CG GLU A 56 -7.210 6.772 -6.388 1.00 0.00 C ATOM 859 CD GLU A 56 -8.180 7.595 -5.564 1.00 0.00 C ATOM 860 OE1 GLU A 56 -8.181 7.444 -4.324 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.938 8.390 -6.157 1.00 0.00 O ATOM 0 H GLU A 56 -3.233 5.863 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.661 6.830 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.659 8.177 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.145 6.832 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.402 6.944 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.387 5.713 -6.199 1.00 0.00 H new ATOM 868 N VAL A 57 -6.458 4.496 -3.966 1.00 0.00 N ATOM 869 CA VAL A 57 -6.901 3.108 -3.900 1.00 0.00 C ATOM 870 C VAL A 57 -8.202 2.910 -4.669 1.00 0.00 C ATOM 871 O VAL A 57 -9.208 3.561 -4.388 1.00 0.00 O ATOM 872 CB VAL A 57 -7.104 2.653 -2.443 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.624 1.224 -2.397 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.807 2.782 -1.659 1.00 0.00 C ATOM 0 H VAL A 57 -6.865 5.103 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.117 2.503 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.848 3.300 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.761 0.920 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.578 1.167 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.906 0.560 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.969 2.456 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.040 2.160 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.482 3.822 -1.663 1.00 0.00 H new ATOM 884 N VAL A 58 -8.176 2.004 -5.642 1.00 0.00 N ATOM 885 CA VAL A 58 -9.354 1.718 -6.452 1.00 0.00 C ATOM 886 C VAL A 58 -9.677 0.228 -6.444 1.00 0.00 C ATOM 887 O VAL A 58 -8.800 -0.624 -6.588 1.00 0.00 O ATOM 888 CB VAL A 58 -9.161 2.182 -7.908 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.602 3.629 -8.069 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.711 2.007 -8.335 1.00 0.00 C ATOM 0 H VAL A 58 -7.352 1.456 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.184 2.270 -6.010 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.783 1.563 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.459 3.940 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.656 3.720 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.008 4.266 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.593 2.340 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.067 2.600 -7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.434 0.956 -8.259 1.00 0.00 H new ATOM 900 N PRO A 59 -10.967 -0.097 -6.273 1.00 0.00 N ATOM 901 CA PRO A 59 -11.437 -1.485 -6.244 1.00 0.00 C ATOM 902 C PRO A 59 -11.347 -2.157 -7.610 1.00 0.00 C ATOM 903 O PRO A 59 -12.269 -2.061 -8.421 1.00 0.00 O ATOM 904 CB PRO A 59 -12.898 -1.356 -5.806 1.00 0.00 C ATOM 905 CG PRO A 59 -13.300 0.015 -6.227 1.00 0.00 C ATOM 906 CD PRO A 59 -12.067 0.866 -6.096 1.00 0.00 C ATOM 0 HA PRO A 59 -10.833 -2.106 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.522 -2.114 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.001 -1.486 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.668 0.016 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.106 0.396 -5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.039 1.651 -6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.019 1.357 -5.124 1.00 0.00 H new ATOM 914 N ASP A 60 -10.233 -2.836 -7.859 1.00 0.00 N ATOM 915 CA ASP A 60 -10.024 -3.524 -9.127 1.00 0.00 C ATOM 916 C ASP A 60 -10.140 -5.035 -8.950 1.00 0.00 C ATOM 917 O ASP A 60 -9.146 -5.760 -8.923 1.00 0.00 O ATOM 918 CB ASP A 60 -8.653 -3.170 -9.704 1.00 0.00 C ATOM 919 CG ASP A 60 -8.593 -3.353 -11.208 1.00 0.00 C ATOM 920 OD1 ASP A 60 -9.042 -4.411 -11.695 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.096 -2.438 -11.898 1.00 0.00 O ATOM 0 H ASP A 60 -9.460 -2.925 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.797 -3.196 -9.822 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.414 -2.136 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.892 -3.794 -9.234 1.00 0.00 H new ATOM 926 N PRO A 61 -11.384 -5.523 -8.826 1.00 0.00 N ATOM 927 CA PRO A 61 -11.660 -6.951 -8.649 1.00 0.00 C ATOM 928 C PRO A 61 -11.364 -7.759 -9.908 1.00 0.00 C ATOM 929 O PRO A 61 -11.050 -7.198 -10.957 1.00 0.00 O ATOM 930 CB PRO A 61 -13.157 -6.987 -8.330 1.00 0.00 C ATOM 931 CG PRO A 61 -13.705 -5.748 -8.950 1.00 0.00 C ATOM 932 CD PRO A 61 -12.616 -4.717 -8.849 1.00 0.00 C ATOM 0 HA PRO A 61 -11.035 -7.394 -7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.629 -7.879 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.333 -7.003 -7.254 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.982 -5.922 -9.990 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.605 -5.417 -8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.632 -4.031 -9.696 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.717 -4.112 -7.948 1.00 0.00 H new ATOM 940 N SER A 62 -11.466 -9.080 -9.796 1.00 0.00 N ATOM 941 CA SER A 62 -11.206 -9.965 -10.925 1.00 0.00 C ATOM 942 C SER A 62 -12.274 -11.051 -11.021 1.00 0.00 C ATOM 943 O SER A 62 -13.067 -11.260 -10.103 1.00 0.00 O ATOM 944 CB SER A 62 -9.823 -10.605 -10.791 1.00 0.00 C ATOM 945 OG SER A 62 -8.865 -9.918 -11.578 1.00 0.00 O ATOM 0 H SER A 62 -11.727 -9.560 -8.935 1.00 0.00 H new ATOM 0 HA SER A 62 -11.236 -9.368 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.514 -10.595 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.871 -11.649 -11.100 1.00 0.00 H new ATOM 0 HG SER A 62 -7.989 -10.345 -11.474 1.00 0.00 H new ATOM 951 N PRO A 63 -12.295 -11.759 -12.160 1.00 0.00 N ATOM 952 CA PRO A 63 -13.260 -12.836 -12.404 1.00 0.00 C ATOM 953 C PRO A 63 -12.995 -14.059 -11.533 1.00 0.00 C ATOM 954 O PRO A 63 -13.717 -15.054 -11.608 1.00 0.00 O ATOM 955 CB PRO A 63 -13.046 -13.175 -13.881 1.00 0.00 C ATOM 956 CG PRO A 63 -11.643 -12.762 -14.166 1.00 0.00 C ATOM 957 CD PRO A 63 -11.380 -11.564 -13.296 1.00 0.00 C ATOM 0 HA PRO A 63 -14.279 -12.533 -12.165 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.191 -14.239 -14.068 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.753 -12.641 -14.516 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.945 -13.569 -13.941 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.515 -12.515 -15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.340 -11.524 -12.972 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.586 -10.632 -13.823 1.00 0.00 H new ATOM 965 N ASP A 64 -11.958 -13.979 -10.708 1.00 0.00 N ATOM 966 CA ASP A 64 -11.599 -15.080 -9.821 1.00 0.00 C ATOM 967 C ASP A 64 -11.640 -14.638 -8.362 1.00 0.00 C ATOM 968 O ASP A 64 -11.553 -15.461 -7.450 1.00 0.00 O ATOM 969 CB ASP A 64 -10.207 -15.610 -10.168 1.00 0.00 C ATOM 970 CG ASP A 64 -10.175 -16.324 -11.505 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.012 -17.227 -11.714 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.313 -15.981 -12.341 1.00 0.00 O ATOM 0 H ASP A 64 -11.350 -13.163 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.328 -15.878 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.500 -14.781 -10.185 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.877 -16.294 -9.386 1.00 0.00 H new ATOM 977 N HIS A 65 -11.772 -13.332 -8.148 1.00 0.00 N ATOM 978 CA HIS A 65 -11.824 -12.780 -6.799 1.00 0.00 C ATOM 979 C HIS A 65 -12.248 -11.315 -6.827 1.00 0.00 C ATOM 980 O HIS A 65 -11.475 -10.442 -7.224 1.00 0.00 O ATOM 981 CB HIS A 65 -10.462 -12.916 -6.117 1.00 0.00 C ATOM 982 CG HIS A 65 -10.287 -14.209 -5.381 1.00 0.00 C ATOM 983 ND1 HIS A 65 -9.561 -15.310 -5.686 1.00 0.00 N flip ATOM 984 CD2 HIS A 65 -10.903 -14.480 -4.178 1.00 0.00 C flip ATOM 985 CE1 HIS A 65 -9.749 -16.215 -4.671 1.00 0.00 C flip ATOM 986 NE2 HIS A 65 -10.562 -15.690 -3.773 1.00 0.00 N flip ATOM 0 H HIS A 65 -11.845 -12.637 -8.891 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.564 -13.343 -6.231 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.678 -12.826 -6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.330 -12.089 -5.419 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.562 -13.808 -3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.304 -17.197 -4.616 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.874 -16.142 -2.913 1.00 0.00 H new ATOM 995 N LEU A 66 -13.480 -11.052 -6.405 1.00 0.00 N ATOM 996 CA LEU A 66 -14.007 -9.692 -6.383 1.00 0.00 C ATOM 997 C LEU A 66 -13.562 -8.956 -5.124 1.00 0.00 C ATOM 998 O LEU A 66 -14.184 -7.976 -4.713 1.00 0.00 O ATOM 999 CB LEU A 66 -15.535 -9.715 -6.462 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.143 -10.767 -7.390 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.521 -11.182 -6.895 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.223 -10.239 -8.815 1.00 0.00 C ATOM 0 H LEU A 66 -14.133 -11.762 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.613 -9.161 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.928 -9.874 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.877 -8.732 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.497 -11.645 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.939 -11.931 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.436 -11.601 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.176 -10.311 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.658 -11.001 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.846 -9.345 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.222 -9.992 -9.168 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.482 -9.434 -4.516 1.00 0.00 N ATOM 1015 CA TYR A 67 -11.953 -8.821 -3.303 1.00 0.00 C ATOM 1016 C TYR A 67 -10.493 -8.418 -3.488 1.00 0.00 C ATOM 1017 O TYR A 67 -9.653 -8.678 -2.627 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.083 -9.784 -2.122 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.365 -10.586 -2.132 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.567 -10.005 -2.517 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.374 -11.924 -1.758 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.741 -10.733 -2.527 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.543 -12.660 -1.766 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.724 -12.060 -2.151 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.891 -12.789 -2.161 1.00 0.00 O ATOM 0 H TYR A 67 -11.956 -10.244 -4.843 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.535 -7.923 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.236 -10.470 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.027 -9.216 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.584 -8.967 -2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.451 -12.397 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.667 -10.266 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.532 -13.699 -1.472 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.706 -13.706 -1.870 1.00 0.00 H new ATOM 1035 N SER A 68 -10.200 -7.781 -4.617 1.00 0.00 N ATOM 1036 CA SER A 68 -8.842 -7.345 -4.918 1.00 0.00 C ATOM 1037 C SER A 68 -8.817 -5.866 -5.292 1.00 0.00 C ATOM 1038 O SER A 68 -9.594 -5.414 -6.134 1.00 0.00 O ATOM 1039 CB SER A 68 -8.255 -8.181 -6.056 1.00 0.00 C ATOM 1040 OG SER A 68 -9.155 -8.259 -7.148 1.00 0.00 O ATOM 0 H SER A 68 -10.885 -7.555 -5.338 1.00 0.00 H new ATOM 0 HA SER A 68 -8.235 -7.486 -4.024 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.314 -7.741 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.028 -9.184 -5.695 1.00 0.00 H new ATOM 0 HG SER A 68 -8.994 -7.510 -7.759 1.00 0.00 H new ATOM 1046 N PHE A 69 -7.919 -5.117 -4.662 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.792 -3.689 -4.927 1.00 0.00 C ATOM 1048 C PHE A 69 -6.357 -3.330 -5.301 1.00 0.00 C ATOM 1049 O PHE A 69 -5.427 -4.097 -5.046 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.229 -2.881 -3.703 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.691 -3.417 -2.408 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.295 -4.497 -1.786 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.581 -2.840 -1.812 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -7.803 -4.992 -0.593 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.084 -3.331 -0.619 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.695 -4.409 -0.009 1.00 0.00 C ATOM 0 H PHE A 69 -7.268 -5.475 -3.964 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.440 -3.442 -5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.902 -1.848 -3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.318 -2.867 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.161 -4.958 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.099 -1.997 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.284 -5.834 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.219 -2.872 -0.164 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.308 -4.795 0.922 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.184 -2.161 -5.909 1.00 0.00 N ATOM 1067 CA ARG A 70 -4.864 -1.701 -6.320 1.00 0.00 C ATOM 1068 C ARG A 70 -4.727 -0.194 -6.123 1.00 0.00 C ATOM 1069 O ARG A 70 -5.710 0.543 -6.197 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.609 -2.060 -7.786 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.695 -1.570 -8.730 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.206 -1.533 -10.170 1.00 0.00 C ATOM 1073 NE ARG A 70 -5.869 -0.490 -10.946 1.00 0.00 N ATOM 1074 CZ ARG A 70 -5.850 -0.437 -12.273 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.205 -1.364 -12.968 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -6.477 0.545 -12.909 1.00 0.00 N ATOM 0 H ARG A 70 -6.942 -1.515 -6.128 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.123 -2.200 -5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.653 -1.636 -8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.522 -3.143 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.565 -2.223 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.018 -0.574 -8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.129 -1.365 -10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.383 -2.501 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.375 0.238 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.722 -2.120 -12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.192 -1.321 -13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.974 1.260 -12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.461 0.584 -13.928 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.502 0.255 -5.871 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.237 1.674 -5.664 1.00 0.00 C ATOM 1092 C ILE A 71 -2.650 2.312 -6.918 1.00 0.00 C ATOM 1093 O ILE A 71 -1.967 1.652 -7.703 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.271 1.900 -4.486 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.363 0.739 -3.493 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.578 3.220 -3.796 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.444 0.890 -2.301 1.00 0.00 C ATOM 0 H ILE A 71 -2.678 -0.342 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.193 2.144 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.253 1.943 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.391 0.653 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.125 -0.191 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.887 3.366 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.467 4.037 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.601 3.204 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.562 0.032 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.411 0.945 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.696 1.802 -1.760 1.00 0.00 H new ATOM 1109 N LEU A 72 -2.918 3.600 -7.101 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.414 4.330 -8.259 1.00 0.00 C ATOM 1111 C LEU A 72 -1.909 5.712 -7.855 1.00 0.00 C ATOM 1112 O LEU A 72 -2.456 6.344 -6.951 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.510 4.465 -9.318 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.128 3.157 -9.814 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.577 3.374 -10.223 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.323 2.593 -10.975 1.00 0.00 C ATOM 0 H LEU A 72 -3.482 4.161 -6.462 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.580 3.767 -8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.306 5.088 -8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.096 4.996 -10.175 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.106 2.434 -8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.001 2.433 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.147 3.732 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.622 4.113 -11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.778 1.662 -11.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.313 3.312 -11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.301 2.400 -10.649 1.00 0.00 H new ATOM 1128 N HIS A 73 -0.863 6.175 -8.532 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.286 7.483 -8.245 1.00 0.00 C ATOM 1130 C HIS A 73 -0.390 8.401 -9.459 1.00 0.00 C ATOM 1131 O HIS A 73 0.578 8.583 -10.198 1.00 0.00 O ATOM 1132 CB HIS A 73 1.177 7.338 -7.825 1.00 0.00 C ATOM 1133 CG HIS A 73 1.715 8.534 -7.102 1.00 0.00 C ATOM 1134 ND1 HIS A 73 2.145 9.674 -7.749 1.00 0.00 N ATOM 1135 CD2 HIS A 73 1.889 8.765 -5.780 1.00 0.00 C ATOM 1136 CE1 HIS A 73 2.563 10.553 -6.856 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.417 10.027 -5.653 1.00 0.00 N ATOM 0 H HIS A 73 -0.398 5.664 -9.283 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.849 7.929 -7.425 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.277 6.462 -7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.784 7.156 -8.712 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.656 8.084 -4.975 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.957 11.535 -7.073 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.657 10.484 -4.773 1.00 0.00 H new ATOM 1146 N LYS A 74 -1.570 8.977 -9.660 1.00 0.00 N ATOM 1147 CA LYS A 74 -1.802 9.876 -10.784 1.00 0.00 C ATOM 1148 C LYS A 74 -1.928 9.096 -12.089 1.00 0.00 C ATOM 1149 O LYS A 74 -1.462 9.541 -13.137 1.00 0.00 O ATOM 1150 CB LYS A 74 -0.663 10.893 -10.894 1.00 0.00 C ATOM 1151 CG LYS A 74 -0.231 11.468 -9.556 1.00 0.00 C ATOM 1152 CD LYS A 74 0.310 12.880 -9.705 1.00 0.00 C ATOM 1153 CE LYS A 74 1.070 13.320 -8.463 1.00 0.00 C ATOM 1154 NZ LYS A 74 1.493 14.745 -8.548 1.00 0.00 N ATOM 0 H LYS A 74 -2.382 8.837 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.738 10.405 -10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.194 10.416 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.976 11.708 -11.546 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.078 11.472 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.534 10.829 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.969 12.929 -10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.514 13.569 -9.892 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.441 13.180 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.948 12.688 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.008 15.007 -7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.113 14.874 -9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.654 15.351 -8.648 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.562 7.929 -12.017 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.738 7.106 -13.199 1.00 0.00 C ATOM 1170 C GLY A 75 -1.669 6.040 -13.329 1.00 0.00 C ATOM 1171 O GLY A 75 -1.750 5.174 -14.198 1.00 0.00 O ATOM 0 H GLY A 75 -2.957 7.539 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.718 6.630 -13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.723 7.741 -14.085 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.663 6.105 -12.462 1.00 0.00 N ATOM 1176 CA GLU A 76 0.428 5.138 -12.486 1.00 0.00 C ATOM 1177 C GLU A 76 0.190 4.023 -11.472 1.00 0.00 C ATOM 1178 O GLU A 76 -0.438 4.237 -10.435 1.00 0.00 O ATOM 1179 CB GLU A 76 1.760 5.832 -12.193 1.00 0.00 C ATOM 1180 CG GLU A 76 2.477 6.324 -13.440 1.00 0.00 C ATOM 1181 CD GLU A 76 3.676 7.194 -13.118 1.00 0.00 C ATOM 1182 OE1 GLU A 76 3.509 8.187 -12.379 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.783 6.882 -13.605 1.00 0.00 O ATOM 0 H GLU A 76 -0.581 6.816 -11.735 1.00 0.00 H new ATOM 0 HA GLU A 76 0.467 4.697 -13.482 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.581 6.678 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.411 5.140 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.803 5.467 -14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.778 6.889 -14.057 1.00 0.00 H new ATOM 1190 N GLU A 77 0.695 2.833 -11.779 1.00 0.00 N ATOM 1191 CA GLU A 77 0.536 1.684 -10.896 1.00 0.00 C ATOM 1192 C GLU A 77 1.666 1.624 -9.871 1.00 0.00 C ATOM 1193 O GLU A 77 2.841 1.739 -10.219 1.00 0.00 O ATOM 1194 CB GLU A 77 0.501 0.388 -11.708 1.00 0.00 C ATOM 1195 CG GLU A 77 0.553 -0.868 -10.854 1.00 0.00 C ATOM 1196 CD GLU A 77 0.944 -2.098 -11.649 1.00 0.00 C ATOM 1197 OE1 GLU A 77 1.795 -1.975 -12.555 1.00 0.00 O ATOM 1198 OE2 GLU A 77 0.399 -3.185 -11.365 1.00 0.00 O ATOM 0 H GLU A 77 1.218 2.639 -12.633 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.409 1.796 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.408 0.371 -12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.342 0.381 -12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.267 -0.722 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.422 -1.031 -10.395 1.00 0.00 H new ATOM 1205 N LEU A 78 1.300 1.445 -8.607 1.00 0.00 N ATOM 1206 CA LEU A 78 2.282 1.370 -7.530 1.00 0.00 C ATOM 1207 C LEU A 78 2.322 -0.029 -6.925 1.00 0.00 C ATOM 1208 O LEU A 78 3.393 -0.604 -6.736 1.00 0.00 O ATOM 1209 CB LEU A 78 1.957 2.398 -6.445 1.00 0.00 C ATOM 1210 CG LEU A 78 1.582 3.797 -6.936 1.00 0.00 C ATOM 1211 CD1 LEU A 78 0.666 4.486 -5.937 1.00 0.00 C ATOM 1212 CD2 LEU A 78 2.832 4.630 -7.179 1.00 0.00 C ATOM 0 H LEU A 78 0.331 1.349 -8.302 1.00 0.00 H new ATOM 0 HA LEU A 78 3.263 1.592 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.134 2.013 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.820 2.486 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 78 1.046 3.698 -7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.410 5.480 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.244 3.899 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.175 4.573 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.546 5.622 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.395 4.720 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.452 4.145 -7.933 1.00 0.00 H new ATOM 1224 N ALA A 79 1.146 -0.572 -6.626 1.00 0.00 N ATOM 1225 CA ALA A 79 1.047 -1.906 -6.047 1.00 0.00 C ATOM 1226 C ALA A 79 -0.363 -2.467 -6.199 1.00 0.00 C ATOM 1227 O ALA A 79 -1.265 -1.785 -6.686 1.00 0.00 O ATOM 1228 CB ALA A 79 1.449 -1.876 -4.580 1.00 0.00 C ATOM 0 H ALA A 79 0.250 -0.109 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 79 1.731 -2.561 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.370 -2.879 -4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.477 -1.525 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.788 -1.202 -4.035 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.548 -3.714 -5.780 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.848 -4.368 -5.869 1.00 0.00 C ATOM 1236 C LYS A 80 -2.014 -5.401 -4.760 1.00 0.00 C ATOM 1237 O LYS A 80 -1.229 -6.345 -4.653 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.013 -5.038 -7.235 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.430 -5.505 -7.516 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.754 -5.441 -8.999 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.970 -6.289 -9.341 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.453 -6.032 -10.726 1.00 0.00 N ATOM 0 H LYS A 80 0.187 -4.293 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.619 -3.607 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.709 -4.337 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.339 -5.893 -7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.555 -6.527 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.135 -4.886 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.938 -4.406 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.895 -5.785 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.719 -7.344 -9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.771 -6.078 -8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.282 -6.629 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.717 -5.031 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.698 -6.257 -11.404 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.041 -5.219 -3.937 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.312 -6.138 -2.836 1.00 0.00 C ATOM 1258 C LEU A 81 -4.647 -6.848 -3.035 1.00 0.00 C ATOM 1259 O LEU A 81 -5.501 -6.383 -3.788 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.316 -5.383 -1.505 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.096 -4.503 -1.229 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -0.811 -5.274 -1.489 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.144 -3.242 -2.080 1.00 0.00 C ATOM 0 H LEU A 81 -3.700 -4.444 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.522 -6.889 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.207 -4.756 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.405 -6.110 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.114 -4.210 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.046 -4.631 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.772 -6.146 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.785 -5.597 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.268 -2.628 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.151 -3.515 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.047 -2.678 -1.845 1.00 0.00 H new ATOM 1275 N GLU A 82 -4.819 -7.976 -2.352 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.051 -8.749 -2.454 1.00 0.00 C ATOM 1277 C GLU A 82 -6.497 -9.244 -1.081 1.00 0.00 C ATOM 1278 O GLU A 82 -5.712 -9.827 -0.335 1.00 0.00 O ATOM 1279 CB GLU A 82 -5.858 -9.937 -3.399 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.762 -11.117 -3.085 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.884 -12.083 -4.248 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.940 -11.614 -5.404 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.925 -13.306 -4.001 1.00 0.00 O ATOM 0 H GLU A 82 -4.122 -8.374 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.827 -8.097 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.043 -9.610 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.819 -10.263 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.372 -11.647 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.753 -10.750 -2.817 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.764 -9.006 -0.756 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.315 -9.428 0.526 1.00 0.00 C ATOM 1292 C ALA A 83 -8.814 -10.868 0.461 1.00 0.00 C ATOM 1293 O ALA A 83 -8.637 -11.553 -0.547 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.441 -8.496 0.948 1.00 0.00 C ATOM 0 H ALA A 83 -8.427 -8.524 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.520 -9.380 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.844 -8.823 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.057 -7.480 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.231 -8.516 0.197 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.437 -11.323 1.542 1.00 0.00 N ATOM 1301 CA LYS A 84 -9.963 -12.681 1.609 1.00 0.00 C ATOM 1302 C LYS A 84 -11.471 -12.693 1.383 1.00 0.00 C ATOM 1303 O LYS A 84 -12.009 -13.616 0.772 1.00 0.00 O ATOM 1304 CB LYS A 84 -9.635 -13.311 2.965 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.325 -12.630 4.134 1.00 0.00 C ATOM 1306 CD LYS A 84 -9.936 -13.266 5.459 1.00 0.00 C ATOM 1307 CE LYS A 84 -10.860 -14.420 5.815 1.00 0.00 C ATOM 1308 NZ LYS A 84 -10.283 -15.281 6.885 1.00 0.00 N ATOM 0 H LYS A 84 -9.590 -10.770 2.385 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.491 -13.266 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.922 -14.362 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.557 -13.278 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.063 -11.572 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.406 -12.689 4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.908 -13.625 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.969 -12.515 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.822 -14.027 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.049 -15.022 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.942 -16.056 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.377 -15.676 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.127 -14.712 7.742 1.00 0.00 H new ATOM 1322 N SER A 85 -12.148 -11.661 1.877 1.00 0.00 N ATOM 1323 CA SER A 85 -13.594 -11.555 1.731 1.00 0.00 C ATOM 1324 C SER A 85 -14.000 -10.129 1.370 1.00 0.00 C ATOM 1325 O SER A 85 -13.299 -9.171 1.696 1.00 0.00 O ATOM 1326 CB SER A 85 -14.292 -11.984 3.022 1.00 0.00 C ATOM 1327 OG SER A 85 -15.699 -11.862 2.907 1.00 0.00 O ATOM 0 H SER A 85 -11.717 -10.886 2.382 1.00 0.00 H new ATOM 0 HA SER A 85 -13.902 -12.218 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.031 -13.017 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.938 -11.372 3.851 1.00 0.00 H new ATOM 0 HG SER A 85 -16.121 -12.144 3.745 1.00 0.00 H new ATOM 1333 N SER A 86 -15.137 -9.997 0.694 1.00 0.00 N ATOM 1334 CA SER A 86 -15.636 -8.689 0.285 1.00 0.00 C ATOM 1335 C SER A 86 -15.565 -7.695 1.440 1.00 0.00 C ATOM 1336 O SER A 86 -15.172 -6.543 1.258 1.00 0.00 O ATOM 1337 CB SER A 86 -17.076 -8.803 -0.218 1.00 0.00 C ATOM 1338 OG SER A 86 -17.940 -9.256 0.810 1.00 0.00 O ATOM 0 H SER A 86 -15.730 -10.780 0.418 1.00 0.00 H new ATOM 0 HA SER A 86 -15.004 -8.324 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.415 -7.833 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.117 -9.492 -1.062 1.00 0.00 H new ATOM 0 HG SER A 86 -18.855 -9.319 0.464 1.00 0.00 H new ATOM 1344 N GLU A 87 -15.950 -8.150 2.628 1.00 0.00 N ATOM 1345 CA GLU A 87 -15.931 -7.300 3.813 1.00 0.00 C ATOM 1346 C GLU A 87 -14.512 -6.836 4.128 1.00 0.00 C ATOM 1347 O GLU A 87 -14.294 -5.685 4.504 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.513 -8.049 5.014 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.031 -8.121 5.010 1.00 0.00 C ATOM 1350 CD GLU A 87 -18.592 -8.670 6.307 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.385 -8.031 7.360 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.239 -9.737 6.270 1.00 0.00 O ATOM 0 H GLU A 87 -16.278 -9.101 2.796 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.544 -6.422 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.110 -9.062 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.183 -7.560 5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.438 -7.125 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.359 -8.749 4.182 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.551 -7.742 3.971 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.154 -7.426 4.240 1.00 0.00 C ATOM 1361 C GLU A 88 -11.669 -6.294 3.339 1.00 0.00 C ATOM 1362 O GLU A 88 -11.143 -5.289 3.815 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.279 -8.665 4.037 1.00 0.00 C ATOM 1364 CG GLU A 88 -9.789 -8.376 4.107 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.313 -8.106 5.521 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.495 -6.969 6.002 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.757 -9.034 6.146 1.00 0.00 O ATOM 0 H GLU A 88 -13.715 -8.699 3.659 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.075 -7.101 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.533 -9.407 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.510 -9.107 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.239 -9.223 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.560 -7.514 3.480 1.00 0.00 H new ATOM 1374 N MET A 89 -11.850 -6.466 2.033 1.00 0.00 N ATOM 1375 CA MET A 89 -11.431 -5.459 1.065 1.00 0.00 C ATOM 1376 C MET A 89 -12.089 -4.115 1.359 1.00 0.00 C ATOM 1377 O MET A 89 -11.507 -3.060 1.110 1.00 0.00 O ATOM 1378 CB MET A 89 -11.780 -5.911 -0.355 1.00 0.00 C ATOM 1379 CG MET A 89 -13.274 -5.938 -0.634 1.00 0.00 C ATOM 1380 SD MET A 89 -13.658 -5.717 -2.382 1.00 0.00 S ATOM 1381 CE MET A 89 -12.831 -4.164 -2.717 1.00 0.00 C ATOM 0 H MET A 89 -12.284 -7.292 1.621 1.00 0.00 H new ATOM 0 HA MET A 89 -10.351 -5.340 1.146 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.297 -5.244 -1.069 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.369 -6.907 -0.522 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.686 -6.887 -0.293 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.762 -5.153 -0.057 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.437 -3.569 -3.400 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.692 -3.617 -1.784 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.860 -4.360 -3.171 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.307 -4.161 1.891 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.024 -2.940 2.210 1.00 0.00 C ATOM 1393 C GLY A 90 -13.369 -2.160 3.334 1.00 0.00 C ATOM 1394 O GLY A 90 -13.492 -0.937 3.403 1.00 0.00 O ATOM 0 H GLY A 90 -13.810 -5.022 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.080 -2.312 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.048 -3.186 2.491 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.673 -2.869 4.217 1.00 0.00 N ATOM 1399 CA HIS A 91 -11.998 -2.236 5.344 1.00 0.00 C ATOM 1400 C HIS A 91 -10.660 -1.642 4.911 1.00 0.00 C ATOM 1401 O HIS A 91 -10.180 -0.674 5.501 1.00 0.00 O ATOM 1402 CB HIS A 91 -11.780 -3.247 6.469 1.00 0.00 C ATOM 1403 CG HIS A 91 -10.777 -2.802 7.488 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.026 -1.801 8.403 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.516 -3.230 7.735 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -9.962 -1.631 9.167 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.032 -2.486 8.783 1.00 0.00 N ATOM 0 H HIS A 91 -12.562 -3.882 4.174 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.633 -1.429 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.731 -3.436 6.966 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.452 -4.193 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.989 -4.011 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.869 -0.914 9.970 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.105 -2.579 9.197 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.064 -2.230 3.880 1.00 0.00 N ATOM 1417 CA TRP A 92 -8.781 -1.759 3.370 1.00 0.00 C ATOM 1418 C TRP A 92 -8.971 -0.577 2.425 1.00 0.00 C ATOM 1419 O TRP A 92 -8.200 0.382 2.452 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.049 -2.892 2.649 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.361 -3.843 3.581 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.842 -5.038 4.034 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.069 -3.676 4.175 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.926 -5.625 4.874 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.830 -4.810 4.976 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.090 -2.682 4.106 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.653 -4.973 5.702 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -3.923 -2.844 4.828 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.712 -3.983 5.617 1.00 0.00 C ATOM 0 H TRP A 92 -10.448 -3.033 3.381 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.180 -1.429 4.218 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.763 -3.445 2.039 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.312 -2.464 1.969 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.801 -5.460 3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.043 -6.522 5.345 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.243 -1.802 3.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.489 -5.850 6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.161 -2.080 4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.789 -4.081 6.169 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.002 -0.653 1.591 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.294 0.412 0.637 1.00 0.00 C ATOM 1442 C LEU A 93 -10.318 1.771 1.329 1.00 0.00 C ATOM 1443 O LEU A 93 -9.497 2.640 1.041 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.635 0.153 -0.052 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.602 -0.800 -1.248 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.969 -0.869 -1.912 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.542 -0.363 -2.248 1.00 0.00 C ATOM 0 H LEU A 93 -10.650 -1.440 1.556 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.503 0.421 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.329 -0.247 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.040 1.108 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.345 -1.796 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.927 -1.551 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.705 -1.229 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.256 0.124 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.532 -1.052 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.769 0.642 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.564 -0.366 -1.766 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.266 1.946 2.244 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.379 3.201 2.965 1.00 0.00 C ATOM 1461 C GLY A 94 -10.188 3.461 3.866 1.00 0.00 C ATOM 1462 O GLY A 94 -9.769 4.606 4.038 1.00 0.00 O ATOM 0 H GLY A 94 -11.958 1.241 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.476 4.019 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.289 3.191 3.565 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.643 2.397 4.445 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.494 2.515 5.336 1.00 0.00 C ATOM 1468 C LEU A 95 -7.302 3.130 4.609 1.00 0.00 C ATOM 1469 O LEU A 95 -6.601 3.983 5.154 1.00 0.00 O ATOM 1470 CB LEU A 95 -8.113 1.143 5.894 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.725 1.037 6.526 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.794 1.328 8.017 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -6.129 -0.341 6.277 1.00 0.00 C ATOM 0 H LEU A 95 -9.978 1.443 4.314 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.771 3.171 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.853 0.859 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.179 0.414 5.087 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.078 1.780 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.797 1.248 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.178 2.336 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.457 0.609 8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.141 -0.398 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.776 -1.102 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.043 -0.512 5.204 1.00 0.00 H new ATOM 1485 N LEU A 96 -7.080 2.693 3.374 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.974 3.201 2.570 1.00 0.00 C ATOM 1487 C LEU A 96 -6.277 4.604 2.052 1.00 0.00 C ATOM 1488 O LEU A 96 -5.442 5.505 2.142 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.696 2.261 1.396 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.193 0.863 1.761 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.419 -0.103 0.608 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.720 0.909 2.139 1.00 0.00 C ATOM 0 H LEU A 96 -7.651 1.988 2.908 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.089 3.251 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.613 2.156 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.959 2.732 0.745 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.758 0.507 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.055 -1.092 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.484 -0.158 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.880 0.248 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.379 -0.094 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.140 1.285 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.585 1.569 2.996 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.478 4.782 1.512 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.893 6.076 0.981 1.00 0.00 C ATOM 1506 C LEU A 97 -7.613 7.191 1.983 1.00 0.00 C ATOM 1507 O LEU A 97 -7.051 8.228 1.632 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.382 6.051 0.631 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.754 5.337 -0.669 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.244 5.030 -0.701 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.355 6.177 -1.873 1.00 0.00 C ATOM 0 H LEU A 97 -8.181 4.047 1.430 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.316 6.272 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.919 5.574 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.738 7.079 0.572 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.208 4.395 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.491 4.522 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.501 4.388 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.809 5.960 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.628 5.653 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.873 7.135 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.278 6.346 -1.858 1.00 0.00 H new ATOM 1523 N SER A 98 -8.007 6.969 3.233 1.00 0.00 N ATOM 1524 CA SER A 98 -7.799 7.956 4.286 1.00 0.00 C ATOM 1525 C SER A 98 -6.322 8.314 4.412 1.00 0.00 C ATOM 1526 O SER A 98 -5.962 9.487 4.505 1.00 0.00 O ATOM 1527 CB SER A 98 -8.323 7.425 5.622 1.00 0.00 C ATOM 1528 OG SER A 98 -8.767 8.483 6.453 1.00 0.00 O ATOM 0 H SER A 98 -8.472 6.115 3.541 1.00 0.00 H new ATOM 0 HA SER A 98 -8.351 8.857 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.143 6.730 5.444 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.536 6.866 6.129 1.00 0.00 H new ATOM 0 HG SER A 98 -9.098 8.117 7.300 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.470 7.293 4.415 1.00 0.00 N ATOM 1535 CA GLU A 99 -4.031 7.499 4.530 1.00 0.00 C ATOM 1536 C GLU A 99 -3.493 8.263 3.324 1.00 0.00 C ATOM 1537 O GLU A 99 -2.751 9.234 3.472 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.310 6.156 4.660 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.770 5.330 5.850 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.554 6.041 7.172 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -2.397 6.408 7.465 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -4.541 6.229 7.914 1.00 0.00 O ATOM 0 H GLU A 99 -5.752 6.316 4.339 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.845 8.091 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.465 5.580 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.238 6.335 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.828 5.095 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.232 4.382 5.859 1.00 0.00 H new ATOM 1549 N SER A 100 -3.872 7.817 2.131 1.00 0.00 N ATOM 1550 CA SER A 100 -3.424 8.456 0.899 1.00 0.00 C ATOM 1551 C SER A 100 -4.119 9.800 0.700 1.00 0.00 C ATOM 1552 O SER A 100 -5.200 9.872 0.117 1.00 0.00 O ATOM 1553 CB SER A 100 -3.697 7.545 -0.300 1.00 0.00 C ATOM 1554 OG SER A 100 -5.088 7.363 -0.497 1.00 0.00 O ATOM 0 H SER A 100 -4.488 7.016 1.991 1.00 0.00 H new ATOM 0 HA SER A 100 -2.351 8.630 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.253 7.977 -1.197 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.220 6.578 -0.142 1.00 0.00 H new ATOM 0 HG SER A 100 -5.558 8.201 -0.304 1.00 0.00 H new ATOM 1560 N GLY A 101 -3.489 10.863 1.189 1.00 0.00 N ATOM 1561 CA GLY A 101 -4.060 12.190 1.056 1.00 0.00 C ATOM 1562 C GLY A 101 -3.062 13.200 0.524 1.00 0.00 C ATOM 1563 O GLY A 101 -2.040 13.465 1.156 1.00 0.00 O ATOM 0 H GLY A 101 -2.593 10.829 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.920 12.147 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.427 12.523 2.027 1.00 0.00 H new ATOM 1567 N SER A 102 -3.358 13.763 -0.643 1.00 0.00 N ATOM 1568 CA SER A 102 -2.476 14.745 -1.264 1.00 0.00 C ATOM 1569 C SER A 102 -3.100 16.137 -1.224 1.00 0.00 C ATOM 1570 O SER A 102 -3.713 16.582 -2.194 1.00 0.00 O ATOM 1571 CB SER A 102 -2.175 14.350 -2.710 1.00 0.00 C ATOM 1572 OG SER A 102 -1.060 15.065 -3.213 1.00 0.00 O ATOM 0 H SER A 102 -4.202 13.556 -1.178 1.00 0.00 H new ATOM 0 HA SER A 102 -1.543 14.767 -0.700 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.979 13.279 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 102 -3.048 14.546 -3.333 1.00 0.00 H new ATOM 0 HG SER A 102 -0.887 14.793 -4.139 1.00 0.00 H new ATOM 1578 N GLY A 103 -2.940 16.819 -0.094 1.00 0.00 N ATOM 1579 CA GLY A 103 -3.493 18.153 0.052 1.00 0.00 C ATOM 1580 C GLY A 103 -2.853 18.925 1.188 1.00 0.00 C ATOM 1581 O GLY A 103 -1.656 18.805 1.452 1.00 0.00 O ATOM 0 H GLY A 103 -2.437 16.472 0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.357 18.703 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.567 18.081 0.226 1.00 0.00 H new ATOM 1585 N PRO A 104 -3.659 19.740 1.883 1.00 0.00 N ATOM 1586 CA PRO A 104 -3.186 20.552 3.009 1.00 0.00 C ATOM 1587 C PRO A 104 -2.832 19.704 4.226 1.00 0.00 C ATOM 1588 O PRO A 104 -3.333 18.591 4.386 1.00 0.00 O ATOM 1589 CB PRO A 104 -4.379 21.459 3.318 1.00 0.00 C ATOM 1590 CG PRO A 104 -5.566 20.706 2.825 1.00 0.00 C ATOM 1591 CD PRO A 104 -5.096 19.932 1.625 1.00 0.00 C ATOM 0 HA PRO A 104 -2.273 21.095 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.455 21.663 4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.285 22.422 2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.951 20.037 3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -6.376 21.385 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.618 18.980 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.268 20.482 0.700 1.00 0.00 H new ATOM 1599 N SER A 105 -1.965 20.238 5.081 1.00 0.00 N ATOM 1600 CA SER A 105 -1.542 19.529 6.283 1.00 0.00 C ATOM 1601 C SER A 105 -2.541 19.735 7.417 1.00 0.00 C ATOM 1602 O SER A 105 -2.752 20.858 7.876 1.00 0.00 O ATOM 1603 CB SER A 105 -0.154 20.003 6.718 1.00 0.00 C ATOM 1604 OG SER A 105 0.483 19.036 7.534 1.00 0.00 O ATOM 0 H SER A 105 -1.542 21.159 4.963 1.00 0.00 H new ATOM 0 HA SER A 105 -1.499 18.465 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.458 20.201 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.242 20.943 7.263 1.00 0.00 H new ATOM 0 HG SER A 105 1.369 19.362 7.797 1.00 0.00 H new ATOM 1610 N SER A 106 -3.154 18.644 7.863 1.00 0.00 N ATOM 1611 CA SER A 106 -4.135 18.705 8.940 1.00 0.00 C ATOM 1612 C SER A 106 -3.524 19.316 10.197 1.00 0.00 C ATOM 1613 O SER A 106 -4.132 20.166 10.847 1.00 0.00 O ATOM 1614 CB SER A 106 -4.672 17.306 9.249 1.00 0.00 C ATOM 1615 OG SER A 106 -5.463 16.816 8.180 1.00 0.00 O ATOM 0 H SER A 106 -2.989 17.707 7.495 1.00 0.00 H new ATOM 0 HA SER A 106 -4.959 19.339 8.612 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.840 16.626 9.432 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.267 17.335 10.162 1.00 0.00 H new ATOM 0 HG SER A 106 -5.793 15.920 8.401 1.00 0.00 H new ATOM 1621 N GLY A 107 -2.315 18.876 10.534 1.00 0.00 N ATOM 1622 CA GLY A 107 -1.640 19.390 11.712 1.00 0.00 C ATOM 1623 C GLY A 107 -0.657 18.396 12.296 1.00 0.00 C ATOM 1624 O GLY A 107 -0.520 18.291 13.515 1.00 0.00 O ATOM 0 H GLY A 107 -1.791 18.173 10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.113 20.308 11.453 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.381 19.650 12.468 1.00 0.00 H new TER 1628 GLY A 107