USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 994 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 120 LYS NZ :NH3+ 161:sc= -0.0955 (180deg=0) USER MOD Set 1.2: A 122 HIS : no HE2:sc= -4.38 K(o=-4.5,f=-5!) USER MOD Set 2.1: A 107 SER OG : rot -2:sc= 0.64 USER MOD Set 2.2: A 113 THR OG1 : rot 108:sc= -1.18 USER MOD Set 3.1: A 101 TYR OH : rot -30:sc= -1.7! USER MOD Set 3.2: A 121 TYR OH : rot 51:sc= 0.127 USER MOD Set 4.1: A 73 HIS : no HE2:sc= -1.42! C(o=-0.63!,f=-6.7!) USER MOD Set 4.2: A 85 SER OG : rot -116:sc= 0.793 USER MOD Set 5.1: A 33 LYS NZ :NH3+ -166:sc= 0.117 (180deg=0) USER MOD Set 5.2: A 151 TYR OH : rot 180:sc= 0.116 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0666 K(o=-0.067,f=-1.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -177:sc= -2.35! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.6!) USER MOD Single : A 37 GLN : amide:sc=-0.00176 K(o=-0.0018,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 53 THR OG1 : rot 60:sc= -2.97! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.499) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0147 F(o=-0.84,f=-0.015) USER MOD Single : A 80 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-1.1) USER MOD Single : A 81 THR OG1 : rot 53:sc= 0.163 USER MOD Single : A 82 TYR OH : rot 165:sc= -3.49! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 109:sc= 1.37 USER MOD Single : A 93 SER OG : rot 39:sc= 0.0209 USER MOD Single : A 95 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0432) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00914) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -94:sc= 1.07 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS :FLIP no HD1:sc= -1.21 F(o=-1.7!,f=-1.2) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -7.225 -0.798 18.972 1.00 0.00 N ATOM 9 CA VAL A 3 -5.914 -1.145 18.356 1.00 0.00 C ATOM 10 C VAL A 3 -5.416 0.031 17.514 1.00 0.00 C ATOM 11 O VAL A 3 -6.189 0.747 16.909 1.00 0.00 O ATOM 12 CB VAL A 3 -6.081 -2.376 17.462 1.00 0.00 C ATOM 13 CG1 VAL A 3 -7.107 -2.074 16.367 1.00 0.00 C ATOM 14 CG2 VAL A 3 -4.738 -2.726 16.820 1.00 0.00 C ATOM 0 HA VAL A 3 -5.190 -1.360 19.142 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.426 -3.218 18.062 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.227 -2.950 15.729 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.064 -1.824 16.824 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.761 -1.233 15.766 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.857 -3.603 16.183 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.392 -1.885 16.219 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.007 -2.940 17.600 1.00 0.00 H new ATOM 24 N TYR A 4 -4.127 0.234 17.468 1.00 0.00 N ATOM 25 CA TYR A 4 -3.577 1.360 16.661 1.00 0.00 C ATOM 26 C TYR A 4 -2.711 0.797 15.532 1.00 0.00 C ATOM 27 O TYR A 4 -2.107 -0.248 15.663 1.00 0.00 O ATOM 28 CB TYR A 4 -2.725 2.259 17.559 1.00 0.00 C ATOM 29 CG TYR A 4 -3.579 2.806 18.679 1.00 0.00 C ATOM 30 CD1 TYR A 4 -4.378 3.935 18.463 1.00 0.00 C ATOM 31 CD2 TYR A 4 -3.574 2.182 19.932 1.00 0.00 C ATOM 32 CE1 TYR A 4 -5.170 4.442 19.500 1.00 0.00 C ATOM 33 CE2 TYR A 4 -4.366 2.689 20.969 1.00 0.00 C ATOM 34 CZ TYR A 4 -5.164 3.818 20.753 1.00 0.00 C ATOM 35 OH TYR A 4 -5.945 4.317 21.775 1.00 0.00 O ATOM 0 H TYR A 4 -3.431 -0.331 17.955 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.395 1.942 16.237 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.888 1.694 17.968 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.302 3.078 16.976 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.383 4.415 17.496 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.959 1.310 20.099 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.785 5.314 19.333 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.361 2.209 21.936 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.825 3.767 22.577 1.00 0.00 H new ATOM 45 N THR A 5 -2.648 1.482 14.423 1.00 0.00 N ATOM 46 CA THR A 5 -1.820 0.982 13.288 1.00 0.00 C ATOM 47 C THR A 5 -0.427 1.606 13.365 1.00 0.00 C ATOM 48 O THR A 5 -0.272 2.766 13.695 1.00 0.00 O ATOM 49 CB THR A 5 -2.484 1.371 11.964 1.00 0.00 C ATOM 50 OG1 THR A 5 -3.841 0.949 11.976 1.00 0.00 O ATOM 51 CG2 THR A 5 -1.749 0.695 10.807 1.00 0.00 C ATOM 0 H THR A 5 -3.132 2.364 14.254 1.00 0.00 H new ATOM 0 HA THR A 5 -1.736 -0.103 13.346 1.00 0.00 H new ATOM 0 HB THR A 5 -2.440 2.453 11.838 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.269 1.198 11.130 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.221 0.972 9.865 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.708 1.017 10.799 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.793 -0.387 10.931 1.00 0.00 H new ATOM 59 N TYR A 6 0.593 0.847 13.065 1.00 0.00 N ATOM 60 CA TYR A 6 1.974 1.403 13.128 1.00 0.00 C ATOM 61 C TYR A 6 2.623 1.324 11.745 1.00 0.00 C ATOM 62 O TYR A 6 2.498 0.339 11.042 1.00 0.00 O ATOM 63 CB TYR A 6 2.805 0.596 14.126 1.00 0.00 C ATOM 64 CG TYR A 6 4.161 1.240 14.290 1.00 0.00 C ATOM 65 CD1 TYR A 6 4.327 2.305 15.184 1.00 0.00 C ATOM 66 CD2 TYR A 6 5.251 0.773 13.547 1.00 0.00 C ATOM 67 CE1 TYR A 6 5.585 2.903 15.334 1.00 0.00 C ATOM 68 CE2 TYR A 6 6.508 1.371 13.697 1.00 0.00 C ATOM 69 CZ TYR A 6 6.675 2.435 14.591 1.00 0.00 C ATOM 70 OH TYR A 6 7.914 3.024 14.740 1.00 0.00 O ATOM 0 H TYR A 6 0.529 -0.130 12.780 1.00 0.00 H new ATOM 0 HA TYR A 6 1.929 2.444 13.449 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.294 0.550 15.088 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.918 -0.430 13.776 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.486 2.665 15.758 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.123 -0.049 12.858 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.714 3.725 16.023 1.00 0.00 H new ATOM 0 HE2 TYR A 6 7.349 1.011 13.123 1.00 0.00 H new ATOM 0 HH TYR A 6 8.560 2.579 14.153 1.00 0.00 H new ATOM 80 N GLU A 7 3.319 2.355 11.348 1.00 0.00 N ATOM 81 CA GLU A 7 3.979 2.343 10.012 1.00 0.00 C ATOM 82 C GLU A 7 5.490 2.204 10.197 1.00 0.00 C ATOM 83 O GLU A 7 6.092 2.889 11.001 1.00 0.00 O ATOM 84 CB GLU A 7 3.671 3.650 9.278 1.00 0.00 C ATOM 85 CG GLU A 7 4.281 3.603 7.876 1.00 0.00 C ATOM 86 CD GLU A 7 4.022 4.931 7.163 1.00 0.00 C ATOM 87 OE1 GLU A 7 3.470 5.820 7.791 1.00 0.00 O ATOM 88 OE2 GLU A 7 4.379 5.037 6.001 1.00 0.00 O ATOM 0 H GLU A 7 3.459 3.206 11.893 1.00 0.00 H new ATOM 0 HA GLU A 7 3.604 1.504 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.593 3.798 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.075 4.496 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.353 3.415 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.847 2.781 7.306 1.00 0.00 H new ATOM 95 N ASN A 8 6.109 1.322 9.462 1.00 0.00 N ATOM 96 CA ASN A 8 7.582 1.141 9.599 1.00 0.00 C ATOM 97 C ASN A 8 8.281 1.643 8.334 1.00 0.00 C ATOM 98 O ASN A 8 7.881 1.336 7.229 1.00 0.00 O ATOM 99 CB ASN A 8 7.895 -0.344 9.801 1.00 0.00 C ATOM 100 CG ASN A 8 9.336 -0.500 10.292 1.00 0.00 C ATOM 101 OD1 ASN A 8 9.870 0.382 10.934 1.00 0.00 O ATOM 102 ND2 ASN A 8 9.992 -1.594 10.013 1.00 0.00 N ATOM 0 H ASN A 8 5.659 0.719 8.773 1.00 0.00 H new ATOM 0 HA ASN A 8 7.939 1.709 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.204 -0.777 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.758 -0.886 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.953 -1.708 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.543 -2.334 9.474 1.00 0.00 H new ATOM 109 N GLU A 9 9.324 2.412 8.489 1.00 0.00 N ATOM 110 CA GLU A 9 10.050 2.932 7.296 1.00 0.00 C ATOM 111 C GLU A 9 11.403 2.227 7.176 1.00 0.00 C ATOM 112 O GLU A 9 12.142 2.116 8.133 1.00 0.00 O ATOM 113 CB GLU A 9 10.273 4.438 7.453 1.00 0.00 C ATOM 114 CG GLU A 9 8.921 5.146 7.559 1.00 0.00 C ATOM 115 CD GLU A 9 9.141 6.658 7.631 1.00 0.00 C ATOM 116 OE1 GLU A 9 10.283 7.066 7.769 1.00 0.00 O ATOM 117 OE2 GLU A 9 8.164 7.384 7.548 1.00 0.00 O ATOM 0 H GLU A 9 9.705 2.702 9.390 1.00 0.00 H new ATOM 0 HA GLU A 9 9.460 2.742 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.870 4.637 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.832 4.824 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.301 4.899 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.387 4.803 8.445 1.00 0.00 H new ATOM 124 N PHE A 10 11.733 1.748 6.007 1.00 0.00 N ATOM 125 CA PHE A 10 13.038 1.051 5.832 1.00 0.00 C ATOM 126 C PHE A 10 13.575 1.318 4.424 1.00 0.00 C ATOM 127 O PHE A 10 12.826 1.499 3.486 1.00 0.00 O ATOM 128 CB PHE A 10 12.843 -0.454 6.026 1.00 0.00 C ATOM 129 CG PHE A 10 14.156 -1.164 5.796 1.00 0.00 C ATOM 130 CD1 PHE A 10 15.092 -1.260 6.832 1.00 0.00 C ATOM 131 CD2 PHE A 10 14.438 -1.727 4.544 1.00 0.00 C ATOM 132 CE1 PHE A 10 16.310 -1.918 6.619 1.00 0.00 C ATOM 133 CE2 PHE A 10 15.656 -2.385 4.332 1.00 0.00 C ATOM 134 CZ PHE A 10 16.591 -2.481 5.368 1.00 0.00 C ATOM 0 H PHE A 10 11.156 1.809 5.168 1.00 0.00 H new ATOM 0 HA PHE A 10 13.750 1.423 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.478 -0.658 7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.089 -0.827 5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.875 -0.826 7.797 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.717 -1.654 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.032 -1.991 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.874 -2.819 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 10 17.530 -2.989 5.203 1.00 0.00 H new ATOM 144 N THR A 11 14.872 1.343 4.270 1.00 0.00 N ATOM 145 CA THR A 11 15.459 1.597 2.924 1.00 0.00 C ATOM 146 C THR A 11 16.276 0.380 2.490 1.00 0.00 C ATOM 147 O THR A 11 16.828 -0.332 3.307 1.00 0.00 O ATOM 148 CB THR A 11 16.368 2.826 2.988 1.00 0.00 C ATOM 149 OG1 THR A 11 17.559 2.493 3.690 1.00 0.00 O ATOM 150 CG2 THR A 11 15.645 3.960 3.716 1.00 0.00 C ATOM 0 H THR A 11 15.550 1.198 5.019 1.00 0.00 H new ATOM 0 HA THR A 11 14.660 1.775 2.205 1.00 0.00 H new ATOM 0 HB THR A 11 16.618 3.148 1.977 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.145 3.278 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.293 4.835 3.761 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.731 4.213 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.395 3.641 4.728 1.00 0.00 H new ATOM 158 N SER A 12 16.358 0.130 1.211 1.00 0.00 N ATOM 159 CA SER A 12 17.139 -1.045 0.732 1.00 0.00 C ATOM 160 C SER A 12 17.744 -0.736 -0.638 1.00 0.00 C ATOM 161 O SER A 12 17.348 0.199 -1.306 1.00 0.00 O ATOM 162 CB SER A 12 16.213 -2.258 0.618 1.00 0.00 C ATOM 163 OG SER A 12 16.984 -3.414 0.325 1.00 0.00 O ATOM 0 H SER A 12 15.919 0.688 0.479 1.00 0.00 H new ATOM 0 HA SER A 12 17.939 -1.261 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.665 -2.400 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.473 -2.092 -0.165 1.00 0.00 H new ATOM 0 HG SER A 12 16.388 -4.183 0.206 1.00 0.00 H new ATOM 169 N ASP A 13 18.698 -1.518 -1.064 1.00 0.00 N ATOM 170 CA ASP A 13 19.327 -1.274 -2.392 1.00 0.00 C ATOM 171 C ASP A 13 18.347 -1.672 -3.497 1.00 0.00 C ATOM 172 O ASP A 13 17.234 -2.083 -3.234 1.00 0.00 O ATOM 173 CB ASP A 13 20.602 -2.111 -2.512 1.00 0.00 C ATOM 174 CG ASP A 13 21.549 -1.459 -3.522 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.187 -0.427 -4.063 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.620 -2.002 -3.737 1.00 0.00 O ATOM 0 H ASP A 13 19.069 -2.316 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 13 19.577 -0.218 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.089 -2.192 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.356 -3.124 -2.830 1.00 0.00 H new ATOM 181 N ILE A 14 18.747 -1.553 -4.735 1.00 0.00 N ATOM 182 CA ILE A 14 17.831 -1.925 -5.849 1.00 0.00 C ATOM 183 C ILE A 14 16.682 -0.917 -5.916 1.00 0.00 C ATOM 184 O ILE A 14 16.189 -0.460 -4.904 1.00 0.00 O ATOM 185 CB ILE A 14 17.271 -3.327 -5.599 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.364 -4.214 -4.998 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.795 -3.931 -6.921 1.00 0.00 C ATOM 188 CD1 ILE A 14 17.979 -4.604 -3.570 1.00 0.00 C ATOM 0 H ILE A 14 19.666 -1.215 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 14 18.377 -1.917 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 14 16.432 -3.263 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.497 -5.108 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.317 -3.685 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.396 -4.930 -6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.016 -3.301 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.633 -3.994 -7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.758 -5.236 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.868 -3.704 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.036 -5.150 -3.584 1.00 0.00 H new ATOM 200 N PRO A 15 16.248 -0.564 -7.136 1.00 0.00 N ATOM 201 CA PRO A 15 15.156 0.394 -7.337 1.00 0.00 C ATOM 202 C PRO A 15 13.804 -0.179 -6.902 1.00 0.00 C ATOM 203 O PRO A 15 13.553 -1.363 -7.003 1.00 0.00 O ATOM 204 CB PRO A 15 15.168 0.645 -8.844 1.00 0.00 C ATOM 205 CG PRO A 15 15.787 -0.580 -9.424 1.00 0.00 C ATOM 206 CD PRO A 15 16.786 -1.068 -8.412 1.00 0.00 C ATOM 0 HA PRO A 15 15.293 1.299 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.160 0.800 -9.228 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.744 1.536 -9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.032 -1.340 -9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.273 -0.358 -10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.863 -2.155 -8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.784 -0.677 -8.611 1.00 0.00 H new ATOM 214 N ALA A 16 12.937 0.662 -6.410 1.00 0.00 N ATOM 215 CA ALA A 16 11.596 0.197 -5.950 1.00 0.00 C ATOM 216 C ALA A 16 11.031 -0.883 -6.883 1.00 0.00 C ATOM 217 O ALA A 16 10.602 -1.927 -6.433 1.00 0.00 O ATOM 218 CB ALA A 16 10.637 1.389 -5.921 1.00 0.00 C ATOM 0 H ALA A 16 13.102 1.663 -6.305 1.00 0.00 H new ATOM 0 HA ALA A 16 11.703 -0.233 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.654 1.057 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.018 2.146 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.555 1.814 -6.921 1.00 0.00 H new ATOM 224 N PRO A 17 11.001 -0.626 -8.204 1.00 0.00 N ATOM 225 CA PRO A 17 10.453 -1.583 -9.180 1.00 0.00 C ATOM 226 C PRO A 17 11.250 -2.892 -9.251 1.00 0.00 C ATOM 227 O PRO A 17 10.689 -3.967 -9.173 1.00 0.00 O ATOM 228 CB PRO A 17 10.543 -0.829 -10.509 1.00 0.00 C ATOM 229 CG PRO A 17 11.627 0.169 -10.294 1.00 0.00 C ATOM 230 CD PRO A 17 11.496 0.599 -8.862 1.00 0.00 C ATOM 0 HA PRO A 17 9.442 -1.891 -8.912 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.780 -1.502 -11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.599 -0.344 -10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.607 -0.268 -10.485 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.520 1.017 -10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.450 0.925 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.799 1.430 -8.750 1.00 0.00 H new ATOM 238 N LYS A 18 12.544 -2.823 -9.402 1.00 0.00 N ATOM 239 CA LYS A 18 13.341 -4.082 -9.479 1.00 0.00 C ATOM 240 C LYS A 18 13.137 -4.896 -8.200 1.00 0.00 C ATOM 241 O LYS A 18 13.114 -6.110 -8.223 1.00 0.00 O ATOM 242 CB LYS A 18 14.824 -3.748 -9.646 1.00 0.00 C ATOM 243 CG LYS A 18 15.058 -3.170 -11.044 1.00 0.00 C ATOM 244 CD LYS A 18 16.554 -2.928 -11.257 1.00 0.00 C ATOM 245 CE LYS A 18 16.760 -2.175 -12.573 1.00 0.00 C ATOM 246 NZ LYS A 18 18.201 -1.822 -12.726 1.00 0.00 N ATOM 0 H LYS A 18 13.081 -1.959 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 18 13.008 -4.666 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.135 -3.030 -8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.429 -4.644 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.679 -3.857 -11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.508 -2.236 -11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.963 -2.352 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.088 -3.878 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.435 -2.791 -13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.150 -1.272 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.340 -1.310 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.497 -1.218 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.773 -2.691 -12.732 1.00 0.00 H new ATOM 260 N LEU A 19 12.990 -4.238 -7.082 1.00 0.00 N ATOM 261 CA LEU A 19 12.788 -4.979 -5.804 1.00 0.00 C ATOM 262 C LEU A 19 11.322 -5.404 -5.680 1.00 0.00 C ATOM 263 O LEU A 19 11.016 -6.469 -5.182 1.00 0.00 O ATOM 264 CB LEU A 19 13.155 -4.072 -4.627 1.00 0.00 C ATOM 265 CG LEU A 19 12.968 -4.839 -3.317 1.00 0.00 C ATOM 266 CD1 LEU A 19 13.675 -6.192 -3.414 1.00 0.00 C ATOM 267 CD2 LEU A 19 13.567 -4.032 -2.162 1.00 0.00 C ATOM 0 H LEU A 19 13.001 -3.222 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 19 13.423 -5.865 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.188 -3.736 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.528 -3.180 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 19 11.905 -4.996 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.542 -6.740 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.249 -6.767 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.738 -6.035 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.434 -4.579 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.631 -3.874 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.064 -3.068 -2.093 1.00 0.00 H new ATOM 279 N PHE A 20 10.416 -4.578 -6.124 1.00 0.00 N ATOM 280 CA PHE A 20 8.969 -4.930 -6.026 1.00 0.00 C ATOM 281 C PHE A 20 8.704 -6.248 -6.758 1.00 0.00 C ATOM 282 O PHE A 20 7.844 -7.016 -6.375 1.00 0.00 O ATOM 283 CB PHE A 20 8.130 -3.819 -6.660 1.00 0.00 C ATOM 284 CG PHE A 20 6.675 -4.221 -6.649 1.00 0.00 C ATOM 285 CD1 PHE A 20 6.138 -4.934 -7.728 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.864 -3.883 -5.559 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.788 -5.308 -7.716 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.516 -4.257 -5.548 1.00 0.00 C ATOM 289 CZ PHE A 20 3.977 -4.970 -6.626 1.00 0.00 C ATOM 0 H PHE A 20 10.614 -3.673 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 20 8.697 -5.041 -4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.265 -2.887 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.461 -3.637 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.764 -5.195 -8.568 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.279 -3.334 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.373 -5.857 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.890 -3.996 -4.707 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.936 -5.259 -6.617 1.00 0.00 H new ATOM 299 N LYS A 21 9.428 -6.516 -7.809 1.00 0.00 N ATOM 300 CA LYS A 21 9.205 -7.784 -8.560 1.00 0.00 C ATOM 301 C LYS A 21 9.715 -8.967 -7.734 1.00 0.00 C ATOM 302 O LYS A 21 9.009 -9.928 -7.507 1.00 0.00 O ATOM 303 CB LYS A 21 9.959 -7.733 -9.890 1.00 0.00 C ATOM 304 CG LYS A 21 9.617 -8.977 -10.712 1.00 0.00 C ATOM 305 CD LYS A 21 10.480 -9.008 -11.975 1.00 0.00 C ATOM 306 CE LYS A 21 10.055 -10.187 -12.853 1.00 0.00 C ATOM 307 NZ LYS A 21 11.235 -11.055 -13.124 1.00 0.00 N ATOM 0 H LYS A 21 10.163 -5.914 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 21 8.139 -7.905 -8.750 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.687 -6.833 -10.441 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.033 -7.685 -9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.789 -9.876 -10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.561 -8.969 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.372 -8.073 -12.525 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.533 -9.101 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.274 -10.762 -12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.635 -9.823 -13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.947 -11.856 -13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.967 -10.503 -13.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.617 -11.412 -12.225 1.00 0.00 H new ATOM 321 N ALA A 22 10.938 -8.904 -7.284 1.00 0.00 N ATOM 322 CA ALA A 22 11.493 -10.026 -6.475 1.00 0.00 C ATOM 323 C ALA A 22 10.948 -9.949 -5.046 1.00 0.00 C ATOM 324 O ALA A 22 11.312 -10.732 -4.192 1.00 0.00 O ATOM 325 CB ALA A 22 13.020 -9.927 -6.449 1.00 0.00 C ATOM 0 H ALA A 22 11.577 -8.125 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 22 11.198 -10.976 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.428 -10.747 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.406 -9.987 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.315 -8.977 -6.004 1.00 0.00 H new ATOM 331 N PHE A 23 10.081 -9.010 -4.778 1.00 0.00 N ATOM 332 CA PHE A 23 9.519 -8.888 -3.403 1.00 0.00 C ATOM 333 C PHE A 23 8.130 -9.529 -3.354 1.00 0.00 C ATOM 334 O PHE A 23 7.728 -10.083 -2.350 1.00 0.00 O ATOM 335 CB PHE A 23 9.408 -7.408 -3.027 1.00 0.00 C ATOM 336 CG PHE A 23 8.767 -7.283 -1.665 1.00 0.00 C ATOM 337 CD1 PHE A 23 9.546 -7.414 -0.510 1.00 0.00 C ATOM 338 CD2 PHE A 23 7.392 -7.035 -1.559 1.00 0.00 C ATOM 339 CE1 PHE A 23 8.951 -7.298 0.752 1.00 0.00 C ATOM 340 CE2 PHE A 23 6.799 -6.919 -0.296 1.00 0.00 C ATOM 341 CZ PHE A 23 7.578 -7.050 0.859 1.00 0.00 C ATOM 0 H PHE A 23 9.738 -8.324 -5.450 1.00 0.00 H new ATOM 0 HA PHE A 23 10.177 -9.397 -2.699 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.396 -6.948 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.815 -6.876 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.606 -7.605 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.791 -6.933 -2.450 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.552 -7.400 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.739 -6.728 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.120 -6.960 1.833 1.00 0.00 H new ATOM 351 N VAL A 24 7.388 -9.455 -4.427 1.00 0.00 N ATOM 352 CA VAL A 24 6.025 -10.057 -4.430 1.00 0.00 C ATOM 353 C VAL A 24 5.975 -11.228 -5.415 1.00 0.00 C ATOM 354 O VAL A 24 5.472 -12.290 -5.103 1.00 0.00 O ATOM 355 CB VAL A 24 5.002 -8.998 -4.848 1.00 0.00 C ATOM 356 CG1 VAL A 24 5.188 -7.743 -3.992 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.207 -8.642 -6.321 1.00 0.00 C ATOM 0 H VAL A 24 7.667 -9.005 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 24 5.791 -10.419 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 24 3.995 -9.391 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.460 -6.989 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.042 -7.994 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.195 -7.351 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.478 -7.888 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.214 -8.250 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.075 -9.534 -6.933 1.00 0.00 H new ATOM 367 N LEU A 25 6.488 -11.047 -6.600 1.00 0.00 N ATOM 368 CA LEU A 25 6.462 -12.155 -7.599 1.00 0.00 C ATOM 369 C LEU A 25 7.400 -13.274 -7.144 1.00 0.00 C ATOM 370 O LEU A 25 7.146 -14.440 -7.374 1.00 0.00 O ATOM 371 CB LEU A 25 6.919 -11.628 -8.960 1.00 0.00 C ATOM 372 CG LEU A 25 5.816 -10.755 -9.564 1.00 0.00 C ATOM 373 CD1 LEU A 25 6.069 -9.291 -9.200 1.00 0.00 C ATOM 374 CD2 LEU A 25 5.820 -10.911 -11.085 1.00 0.00 C ATOM 0 H LEU A 25 6.924 -10.182 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 25 5.447 -12.543 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.836 -11.049 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.146 -12.460 -9.627 1.00 0.00 H new ATOM 0 HG LEU A 25 4.848 -11.065 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.284 -8.668 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.067 -9.180 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.036 -8.980 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.035 -10.290 -11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.787 -10.600 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.641 -11.954 -11.344 1.00 0.00 H new ATOM 386 N ASP A 26 8.482 -12.931 -6.503 1.00 0.00 N ATOM 387 CA ASP A 26 9.433 -13.977 -6.035 1.00 0.00 C ATOM 388 C ASP A 26 9.316 -14.135 -4.518 1.00 0.00 C ATOM 389 O ASP A 26 10.105 -14.814 -3.892 1.00 0.00 O ATOM 390 CB ASP A 26 10.861 -13.564 -6.397 1.00 0.00 C ATOM 391 CG ASP A 26 10.971 -13.380 -7.911 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.099 -13.866 -8.612 1.00 0.00 O ATOM 393 OD2 ASP A 26 11.926 -12.756 -8.345 1.00 0.00 O ATOM 0 H ASP A 26 8.749 -11.971 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 26 9.195 -14.926 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.123 -12.637 -5.887 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.567 -14.323 -6.060 1.00 0.00 H new ATOM 398 N ALA A 27 8.337 -13.512 -3.922 1.00 0.00 N ATOM 399 CA ALA A 27 8.171 -13.627 -2.445 1.00 0.00 C ATOM 400 C ALA A 27 7.719 -15.045 -2.089 1.00 0.00 C ATOM 401 O ALA A 27 8.117 -15.599 -1.083 1.00 0.00 O ATOM 402 CB ALA A 27 7.118 -12.623 -1.972 1.00 0.00 C ATOM 0 H ALA A 27 7.645 -12.929 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 27 9.122 -13.416 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.995 -12.706 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.440 -11.613 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.168 -12.834 -2.462 1.00 0.00 H new ATOM 408 N ASP A 28 6.887 -15.635 -2.903 1.00 0.00 N ATOM 409 CA ASP A 28 6.407 -17.015 -2.609 1.00 0.00 C ATOM 410 C ASP A 28 7.604 -17.960 -2.482 1.00 0.00 C ATOM 411 O ASP A 28 7.612 -18.860 -1.666 1.00 0.00 O ATOM 412 CB ASP A 28 5.501 -17.492 -3.745 1.00 0.00 C ATOM 413 CG ASP A 28 4.214 -16.664 -3.752 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.981 -15.960 -2.782 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.484 -16.746 -4.725 1.00 0.00 O ATOM 0 H ASP A 28 6.519 -15.221 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 28 5.848 -17.011 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.015 -17.393 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.266 -18.549 -3.618 1.00 0.00 H new ATOM 420 N ASN A 29 8.615 -17.766 -3.284 1.00 0.00 N ATOM 421 CA ASN A 29 9.807 -18.656 -3.208 1.00 0.00 C ATOM 422 C ASN A 29 10.922 -17.952 -2.431 1.00 0.00 C ATOM 423 O ASN A 29 11.648 -18.567 -1.676 1.00 0.00 O ATOM 424 CB ASN A 29 10.294 -18.977 -4.622 1.00 0.00 C ATOM 425 CG ASN A 29 9.224 -19.786 -5.358 1.00 0.00 C ATOM 426 OD1 ASN A 29 8.330 -20.332 -4.744 1.00 0.00 O ATOM 427 ND2 ASN A 29 9.278 -19.883 -6.659 1.00 0.00 N ATOM 0 H ASN A 29 8.667 -17.030 -3.988 1.00 0.00 H new ATOM 0 HA ASN A 29 9.538 -19.581 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.505 -18.055 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.226 -19.541 -4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.569 -20.418 -7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.029 -19.424 -7.174 1.00 0.00 H new ATOM 434 N LEU A 30 11.065 -16.668 -2.612 1.00 0.00 N ATOM 435 CA LEU A 30 12.133 -15.928 -1.885 1.00 0.00 C ATOM 436 C LEU A 30 11.859 -15.983 -0.381 1.00 0.00 C ATOM 437 O LEU A 30 12.753 -16.190 0.415 1.00 0.00 O ATOM 438 CB LEU A 30 12.148 -14.469 -2.347 1.00 0.00 C ATOM 439 CG LEU A 30 13.303 -13.732 -1.667 1.00 0.00 C ATOM 440 CD1 LEU A 30 14.627 -14.178 -2.289 1.00 0.00 C ATOM 441 CD2 LEU A 30 13.131 -12.223 -1.860 1.00 0.00 C ATOM 0 H LEU A 30 10.488 -16.100 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 30 13.099 -16.386 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.259 -14.420 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.201 -13.989 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 30 13.305 -13.963 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.451 -13.654 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.750 -15.252 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.625 -13.946 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.954 -11.698 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.129 -11.990 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.187 -11.905 -1.417 1.00 0.00 H new ATOM 453 N ILE A 31 10.629 -15.797 0.016 1.00 0.00 N ATOM 454 CA ILE A 31 10.302 -15.838 1.469 1.00 0.00 C ATOM 455 C ILE A 31 10.942 -17.081 2.099 1.00 0.00 C ATOM 456 O ILE A 31 11.755 -16.979 2.996 1.00 0.00 O ATOM 457 CB ILE A 31 8.779 -15.874 1.647 1.00 0.00 C ATOM 458 CG1 ILE A 31 8.213 -14.468 1.447 1.00 0.00 C ATOM 459 CG2 ILE A 31 8.429 -16.364 3.056 1.00 0.00 C ATOM 460 CD1 ILE A 31 6.799 -14.563 0.870 1.00 0.00 C ATOM 0 H ILE A 31 9.838 -15.619 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 31 10.694 -14.949 1.963 1.00 0.00 H new ATOM 0 HB ILE A 31 8.348 -16.555 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.194 -13.934 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.854 -13.899 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.346 -16.387 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.831 -17.366 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.861 -15.688 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.396 -13.560 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.831 -15.081 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.161 -15.116 1.560 1.00 0.00 H new ATOM 472 N PRO A 32 10.573 -18.279 1.615 1.00 0.00 N ATOM 473 CA PRO A 32 11.119 -19.543 2.131 1.00 0.00 C ATOM 474 C PRO A 32 12.599 -19.706 1.774 1.00 0.00 C ATOM 475 O PRO A 32 13.326 -20.438 2.417 1.00 0.00 O ATOM 476 CB PRO A 32 10.290 -20.609 1.414 1.00 0.00 C ATOM 477 CG PRO A 32 9.824 -19.940 0.167 1.00 0.00 C ATOM 478 CD PRO A 32 9.597 -18.501 0.533 1.00 0.00 C ATOM 0 HA PRO A 32 11.064 -19.601 3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.887 -21.493 1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.450 -20.938 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.567 -20.029 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.907 -20.398 -0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.773 -17.836 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.575 -18.326 0.869 1.00 0.00 H new ATOM 486 N LYS A 33 13.050 -19.033 0.751 1.00 0.00 N ATOM 487 CA LYS A 33 14.480 -19.151 0.350 1.00 0.00 C ATOM 488 C LYS A 33 15.369 -18.558 1.445 1.00 0.00 C ATOM 489 O LYS A 33 16.350 -19.151 1.850 1.00 0.00 O ATOM 490 CB LYS A 33 14.707 -18.389 -0.958 1.00 0.00 C ATOM 491 CG LYS A 33 16.148 -18.601 -1.429 1.00 0.00 C ATOM 492 CD LYS A 33 16.288 -20.001 -2.030 1.00 0.00 C ATOM 493 CE LYS A 33 17.695 -20.170 -2.607 1.00 0.00 C ATOM 494 NZ LYS A 33 17.657 -19.956 -4.081 1.00 0.00 N ATOM 0 H LYS A 33 12.489 -18.406 0.175 1.00 0.00 H new ATOM 0 HA LYS A 33 14.731 -20.202 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.009 -18.737 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.514 -17.326 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.414 -17.847 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.836 -18.482 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.103 -20.756 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.543 -20.149 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.378 -19.458 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.074 -21.167 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.543 -20.297 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.855 -20.479 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.546 -18.942 -4.282 1.00 0.00 H new ATOM 508 N ILE A 34 15.037 -17.391 1.927 1.00 0.00 N ATOM 509 CA ILE A 34 15.866 -16.764 2.994 1.00 0.00 C ATOM 510 C ILE A 34 15.736 -17.574 4.285 1.00 0.00 C ATOM 511 O ILE A 34 16.681 -17.721 5.034 1.00 0.00 O ATOM 512 CB ILE A 34 15.381 -15.332 3.240 1.00 0.00 C ATOM 513 CG1 ILE A 34 15.508 -14.521 1.948 1.00 0.00 C ATOM 514 CG2 ILE A 34 16.235 -14.685 4.333 1.00 0.00 C ATOM 515 CD1 ILE A 34 14.990 -13.101 2.184 1.00 0.00 C ATOM 0 H ILE A 34 14.228 -16.846 1.628 1.00 0.00 H new ATOM 0 HA ILE A 34 16.910 -16.747 2.680 1.00 0.00 H new ATOM 0 HB ILE A 34 14.338 -15.351 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.549 -14.491 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 34 14.941 -14.998 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 34 15.890 -13.666 4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 34 16.146 -15.262 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.278 -14.666 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.080 -12.523 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.943 -13.141 2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 34 15.577 -12.626 2.970 1.00 0.00 H new ATOM 527 N ALA A 35 14.574 -18.102 4.551 1.00 0.00 N ATOM 528 CA ALA A 35 14.386 -18.903 5.794 1.00 0.00 C ATOM 529 C ALA A 35 13.594 -20.170 5.467 1.00 0.00 C ATOM 530 O ALA A 35 12.442 -20.303 5.831 1.00 0.00 O ATOM 531 CB ALA A 35 13.618 -18.074 6.825 1.00 0.00 C ATOM 0 H ALA A 35 13.746 -18.014 3.962 1.00 0.00 H new ATOM 0 HA ALA A 35 15.360 -19.176 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.481 -18.660 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.181 -17.170 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.644 -17.800 6.419 1.00 0.00 H new ATOM 537 N PRO A 36 14.229 -21.120 4.766 1.00 0.00 N ATOM 538 CA PRO A 36 13.589 -22.384 4.384 1.00 0.00 C ATOM 539 C PRO A 36 13.364 -23.292 5.596 1.00 0.00 C ATOM 540 O PRO A 36 12.363 -23.973 5.696 1.00 0.00 O ATOM 541 CB PRO A 36 14.597 -23.022 3.430 1.00 0.00 C ATOM 542 CG PRO A 36 15.910 -22.431 3.818 1.00 0.00 C ATOM 543 CD PRO A 36 15.621 -21.034 4.291 1.00 0.00 C ATOM 0 HA PRO A 36 12.605 -22.229 3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.606 -24.107 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.354 -22.800 2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.383 -23.018 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.597 -22.421 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.300 -20.730 5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.728 -20.306 3.486 1.00 0.00 H new ATOM 551 N GLN A 37 14.286 -23.303 6.520 1.00 0.00 N ATOM 552 CA GLN A 37 14.121 -24.164 7.725 1.00 0.00 C ATOM 553 C GLN A 37 13.045 -23.565 8.633 1.00 0.00 C ATOM 554 O GLN A 37 12.442 -24.252 9.434 1.00 0.00 O ATOM 555 CB GLN A 37 15.447 -24.238 8.485 1.00 0.00 C ATOM 556 CG GLN A 37 16.502 -24.913 7.607 1.00 0.00 C ATOM 557 CD GLN A 37 17.854 -24.883 8.321 1.00 0.00 C ATOM 558 OE1 GLN A 37 18.054 -24.111 9.237 1.00 0.00 O ATOM 559 NE2 GLN A 37 18.799 -25.698 7.937 1.00 0.00 N ATOM 0 H GLN A 37 15.145 -22.754 6.492 1.00 0.00 H new ATOM 0 HA GLN A 37 13.823 -25.167 7.419 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.776 -23.236 8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.317 -24.798 9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.212 -25.943 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.574 -24.401 6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.632 -26.347 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.705 -25.686 8.406 1.00 0.00 H new ATOM 568 N ALA A 38 12.800 -22.289 8.516 1.00 0.00 N ATOM 569 CA ALA A 38 11.763 -21.647 9.372 1.00 0.00 C ATOM 570 C ALA A 38 10.378 -22.137 8.949 1.00 0.00 C ATOM 571 O ALA A 38 9.522 -22.396 9.772 1.00 0.00 O ATOM 572 CB ALA A 38 11.836 -20.127 9.209 1.00 0.00 C ATOM 0 H ALA A 38 13.273 -21.663 7.864 1.00 0.00 H new ATOM 0 HA ALA A 38 11.940 -21.910 10.415 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.077 -19.657 9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.823 -19.776 9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.659 -19.864 8.166 1.00 0.00 H new ATOM 578 N VAL A 39 10.148 -22.267 7.671 1.00 0.00 N ATOM 579 CA VAL A 39 8.819 -22.741 7.197 1.00 0.00 C ATOM 580 C VAL A 39 9.005 -23.955 6.285 1.00 0.00 C ATOM 581 O VAL A 39 10.000 -24.081 5.599 1.00 0.00 O ATOM 582 CB VAL A 39 8.125 -21.621 6.420 1.00 0.00 C ATOM 583 CG1 VAL A 39 8.008 -20.381 7.308 1.00 0.00 C ATOM 584 CG2 VAL A 39 8.947 -21.281 5.175 1.00 0.00 C ATOM 0 H VAL A 39 10.824 -22.065 6.935 1.00 0.00 H new ATOM 0 HA VAL A 39 8.207 -23.021 8.054 1.00 0.00 H new ATOM 0 HB VAL A 39 7.129 -21.948 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.514 -19.583 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.424 -20.623 8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.003 -20.053 7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.454 -20.483 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.942 -20.953 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.031 -22.164 4.542 1.00 0.00 H new ATOM 594 N LYS A 40 8.055 -24.849 6.270 1.00 0.00 N ATOM 595 CA LYS A 40 8.180 -26.053 5.400 1.00 0.00 C ATOM 596 C LYS A 40 7.997 -25.644 3.938 1.00 0.00 C ATOM 597 O LYS A 40 8.768 -26.021 3.077 1.00 0.00 O ATOM 598 CB LYS A 40 7.104 -27.073 5.782 1.00 0.00 C ATOM 599 CG LYS A 40 7.325 -28.364 4.991 1.00 0.00 C ATOM 600 CD LYS A 40 6.233 -29.374 5.348 1.00 0.00 C ATOM 601 CE LYS A 40 6.537 -30.713 4.672 1.00 0.00 C ATOM 602 NZ LYS A 40 6.148 -31.828 5.580 1.00 0.00 N ATOM 0 H LYS A 40 7.199 -24.798 6.822 1.00 0.00 H new ATOM 0 HA LYS A 40 9.166 -26.498 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.144 -27.277 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.114 -26.669 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.307 -28.155 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.307 -28.779 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.182 -29.503 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.260 -29.004 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.992 -30.789 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.598 -30.779 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.355 -32.738 5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.687 -31.758 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.131 -31.768 5.787 1.00 0.00 H new ATOM 616 N CYS A 41 6.983 -24.876 3.648 1.00 0.00 N ATOM 617 CA CYS A 41 6.754 -24.444 2.240 1.00 0.00 C ATOM 618 C CYS A 41 5.479 -23.598 2.169 1.00 0.00 C ATOM 619 O CYS A 41 4.446 -23.971 2.686 1.00 0.00 O ATOM 620 CB CYS A 41 6.597 -25.679 1.349 1.00 0.00 C ATOM 621 SG CYS A 41 5.639 -26.939 2.226 1.00 0.00 S ATOM 0 H CYS A 41 6.303 -24.529 4.325 1.00 0.00 H new ATOM 0 HA CYS A 41 7.603 -23.853 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.097 -25.408 0.419 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.577 -26.074 1.080 1.00 0.00 H new ATOM 0 HG CYS A 41 5.504 -27.987 1.468 1.00 0.00 H new ATOM 627 N ALA A 42 5.546 -22.461 1.531 1.00 0.00 N ATOM 628 CA ALA A 42 4.339 -21.593 1.427 1.00 0.00 C ATOM 629 C ALA A 42 3.523 -22.002 0.200 1.00 0.00 C ATOM 630 O ALA A 42 3.995 -21.946 -0.918 1.00 0.00 O ATOM 631 CB ALA A 42 4.770 -20.132 1.290 1.00 0.00 C ATOM 0 H ALA A 42 6.384 -22.096 1.078 1.00 0.00 H new ATOM 0 HA ALA A 42 3.730 -21.708 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.887 -19.498 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.352 -19.841 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.379 -20.015 0.394 1.00 0.00 H new ATOM 637 N GLU A 43 2.302 -22.415 0.400 1.00 0.00 N ATOM 638 CA GLU A 43 1.457 -22.827 -0.756 1.00 0.00 C ATOM 639 C GLU A 43 0.266 -21.875 -0.884 1.00 0.00 C ATOM 640 O GLU A 43 -0.275 -21.406 0.099 1.00 0.00 O ATOM 641 CB GLU A 43 0.949 -24.252 -0.533 1.00 0.00 C ATOM 642 CG GLU A 43 0.167 -24.712 -1.764 1.00 0.00 C ATOM 643 CD GLU A 43 -0.449 -26.086 -1.493 1.00 0.00 C ATOM 644 OE1 GLU A 43 -0.284 -26.581 -0.390 1.00 0.00 O ATOM 645 OE2 GLU A 43 -1.076 -26.621 -2.393 1.00 0.00 O ATOM 0 H GLU A 43 1.853 -22.485 1.313 1.00 0.00 H new ATOM 0 HA GLU A 43 2.050 -22.791 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.787 -24.924 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.312 -24.288 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.616 -23.991 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.827 -24.762 -2.630 1.00 0.00 H new ATOM 652 N ILE A 44 -0.147 -21.586 -2.087 1.00 0.00 N ATOM 653 CA ILE A 44 -1.303 -20.665 -2.276 1.00 0.00 C ATOM 654 C ILE A 44 -2.529 -21.469 -2.711 1.00 0.00 C ATOM 655 O ILE A 44 -2.526 -22.118 -3.738 1.00 0.00 O ATOM 656 CB ILE A 44 -0.962 -19.633 -3.353 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.369 -18.961 -3.014 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.066 -18.574 -3.411 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.747 -17.985 -4.131 1.00 0.00 C ATOM 0 H ILE A 44 0.266 -21.947 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.518 -20.154 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.882 -20.130 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.290 -18.431 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.149 -19.713 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.824 -17.838 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.016 -19.051 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.145 -18.078 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.696 -17.506 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.843 -18.528 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.029 -17.225 -4.228 1.00 0.00 H new ATOM 671 N LEU A 45 -3.580 -21.430 -1.937 1.00 0.00 N ATOM 672 CA LEU A 45 -4.806 -22.193 -2.308 1.00 0.00 C ATOM 673 C LEU A 45 -5.391 -21.618 -3.600 1.00 0.00 C ATOM 674 O LEU A 45 -5.777 -22.344 -4.495 1.00 0.00 O ATOM 675 CB LEU A 45 -5.837 -22.076 -1.185 1.00 0.00 C ATOM 676 CG LEU A 45 -7.027 -22.989 -1.488 1.00 0.00 C ATOM 677 CD1 LEU A 45 -6.610 -24.450 -1.307 1.00 0.00 C ATOM 678 CD2 LEU A 45 -8.176 -22.664 -0.530 1.00 0.00 C ATOM 0 H LEU A 45 -3.643 -20.904 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.551 -23.242 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.386 -22.353 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.172 -21.043 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.354 -22.830 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.458 -25.100 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.792 -24.682 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.282 -24.610 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.024 -23.314 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.849 -22.823 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.474 -21.624 -0.659 1.00 0.00 H new ATOM 690 N GLU A 46 -5.458 -20.319 -3.706 1.00 0.00 N ATOM 691 CA GLU A 46 -6.017 -19.700 -4.941 1.00 0.00 C ATOM 692 C GLU A 46 -5.531 -18.254 -5.052 1.00 0.00 C ATOM 693 O GLU A 46 -5.210 -17.619 -4.066 1.00 0.00 O ATOM 694 CB GLU A 46 -7.546 -19.719 -4.875 1.00 0.00 C ATOM 695 CG GLU A 46 -8.038 -21.168 -4.856 1.00 0.00 C ATOM 696 CD GLU A 46 -9.565 -21.190 -4.946 1.00 0.00 C ATOM 697 OE1 GLU A 46 -10.160 -20.129 -4.849 1.00 0.00 O ATOM 698 OE2 GLU A 46 -10.114 -22.268 -5.109 1.00 0.00 O ATOM 0 H GLU A 46 -5.150 -19.660 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.683 -20.264 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.889 -19.196 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.964 -19.193 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.606 -21.721 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.710 -21.663 -3.942 1.00 0.00 H new ATOM 705 N GLY A 47 -5.474 -17.727 -6.244 1.00 0.00 N ATOM 706 CA GLY A 47 -5.009 -16.322 -6.417 1.00 0.00 C ATOM 707 C GLY A 47 -3.606 -16.321 -7.027 1.00 0.00 C ATOM 708 O GLY A 47 -3.305 -15.543 -7.911 1.00 0.00 O ATOM 0 H GLY A 47 -5.729 -18.209 -7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.698 -15.776 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.999 -15.810 -5.455 1.00 0.00 H new ATOM 712 N ASP A 48 -2.747 -17.185 -6.563 1.00 0.00 N ATOM 713 CA ASP A 48 -1.364 -17.234 -7.117 1.00 0.00 C ATOM 714 C ASP A 48 -0.663 -15.898 -6.862 1.00 0.00 C ATOM 715 O ASP A 48 0.067 -15.400 -7.696 1.00 0.00 O ATOM 716 CB ASP A 48 -1.426 -17.499 -8.622 1.00 0.00 C ATOM 717 CG ASP A 48 -1.978 -18.904 -8.870 1.00 0.00 C ATOM 718 OD1 ASP A 48 -2.062 -19.662 -7.919 1.00 0.00 O ATOM 719 OD2 ASP A 48 -2.307 -19.196 -10.008 1.00 0.00 O ATOM 0 H ASP A 48 -2.942 -17.860 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.807 -18.034 -6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.060 -16.757 -9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.432 -17.404 -9.060 1.00 0.00 H new ATOM 724 N GLY A 49 -0.877 -15.311 -5.716 1.00 0.00 N ATOM 725 CA GLY A 49 -0.221 -14.009 -5.410 1.00 0.00 C ATOM 726 C GLY A 49 -1.054 -12.867 -5.996 1.00 0.00 C ATOM 727 O GLY A 49 -0.525 -11.867 -6.441 1.00 0.00 O ATOM 0 H GLY A 49 -1.478 -15.678 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.122 -13.884 -4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.786 -13.990 -5.827 1.00 0.00 H new ATOM 731 N GLY A 50 -2.351 -13.006 -5.997 1.00 0.00 N ATOM 732 CA GLY A 50 -3.215 -11.926 -6.553 1.00 0.00 C ATOM 733 C GLY A 50 -4.143 -11.402 -5.456 1.00 0.00 C ATOM 734 O GLY A 50 -3.958 -11.680 -4.288 1.00 0.00 O ATOM 0 H GLY A 50 -2.850 -13.820 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.598 -11.115 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.801 -12.308 -7.389 1.00 0.00 H new ATOM 738 N PRO A 51 -5.165 -10.625 -5.847 1.00 0.00 N ATOM 739 CA PRO A 51 -6.134 -10.053 -4.903 1.00 0.00 C ATOM 740 C PRO A 51 -7.045 -11.128 -4.306 1.00 0.00 C ATOM 741 O PRO A 51 -7.594 -11.952 -5.010 1.00 0.00 O ATOM 742 CB PRO A 51 -6.952 -9.095 -5.767 1.00 0.00 C ATOM 743 CG PRO A 51 -6.825 -9.636 -7.152 1.00 0.00 C ATOM 744 CD PRO A 51 -5.455 -10.244 -7.240 1.00 0.00 C ATOM 0 HA PRO A 51 -5.646 -9.572 -4.055 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.994 -9.064 -5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.568 -8.077 -5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.595 -10.381 -7.351 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.948 -8.845 -7.892 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.440 -11.108 -7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.723 -9.533 -7.624 1.00 0.00 H new ATOM 752 N GLY A 52 -7.210 -11.129 -3.011 1.00 0.00 N ATOM 753 CA GLY A 52 -8.083 -12.150 -2.371 1.00 0.00 C ATOM 754 C GLY A 52 -7.427 -13.527 -2.494 1.00 0.00 C ATOM 755 O GLY A 52 -8.093 -14.541 -2.542 1.00 0.00 O ATOM 0 H GLY A 52 -6.777 -10.465 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.242 -11.903 -1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.063 -12.158 -2.848 1.00 0.00 H new ATOM 759 N THR A 53 -6.124 -13.568 -2.547 1.00 0.00 N ATOM 760 CA THR A 53 -5.423 -14.878 -2.669 1.00 0.00 C ATOM 761 C THR A 53 -5.263 -15.504 -1.283 1.00 0.00 C ATOM 762 O THR A 53 -5.057 -14.818 -0.300 1.00 0.00 O ATOM 763 CB THR A 53 -4.042 -14.661 -3.291 1.00 0.00 C ATOM 764 OG1 THR A 53 -4.191 -14.089 -4.584 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.316 -16.001 -3.405 1.00 0.00 C ATOM 0 H THR A 53 -5.514 -12.751 -2.511 1.00 0.00 H new ATOM 0 HA THR A 53 -6.008 -15.544 -3.303 1.00 0.00 H new ATOM 0 HB THR A 53 -3.461 -13.988 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.651 -13.227 -4.509 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.332 -15.845 -3.848 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.202 -16.439 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.895 -16.676 -4.035 1.00 0.00 H new ATOM 773 N ILE A 54 -5.351 -16.803 -1.194 1.00 0.00 N ATOM 774 CA ILE A 54 -5.201 -17.473 0.127 1.00 0.00 C ATOM 775 C ILE A 54 -3.906 -18.288 0.136 1.00 0.00 C ATOM 776 O ILE A 54 -3.625 -19.035 -0.780 1.00 0.00 O ATOM 777 CB ILE A 54 -6.392 -18.404 0.368 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.695 -17.637 0.132 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.354 -18.916 1.808 1.00 0.00 C ATOM 780 CD1 ILE A 54 -7.654 -16.313 0.899 1.00 0.00 C ATOM 0 H ILE A 54 -5.521 -17.429 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.166 -16.721 0.915 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.339 -19.248 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.831 -17.449 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.546 -18.234 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.202 -19.579 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.426 -19.462 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.407 -18.072 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.582 -15.766 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.538 -16.513 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.812 -15.715 0.549 1.00 0.00 H new ATOM 792 N LYS A 55 -3.113 -18.150 1.163 1.00 0.00 N ATOM 793 CA LYS A 55 -1.837 -18.917 1.224 1.00 0.00 C ATOM 794 C LYS A 55 -1.723 -19.619 2.577 1.00 0.00 C ATOM 795 O LYS A 55 -2.203 -19.136 3.583 1.00 0.00 O ATOM 796 CB LYS A 55 -0.659 -17.955 1.046 1.00 0.00 C ATOM 797 CG LYS A 55 -0.902 -17.075 -0.181 1.00 0.00 C ATOM 798 CD LYS A 55 0.356 -16.257 -0.480 1.00 0.00 C ATOM 799 CE LYS A 55 0.566 -15.222 0.626 1.00 0.00 C ATOM 800 NZ LYS A 55 1.950 -15.342 1.164 1.00 0.00 N ATOM 0 H LYS A 55 -3.293 -17.541 1.961 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.823 -19.663 0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.544 -17.335 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.268 -18.516 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.159 -17.694 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.747 -16.410 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.223 -16.914 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.258 -15.759 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.403 -14.218 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.160 -15.375 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.092 -14.638 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.090 -16.297 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.635 -15.175 0.400 1.00 0.00 H new ATOM 814 N LYS A 56 -1.088 -20.760 2.609 1.00 0.00 N ATOM 815 CA LYS A 56 -0.940 -21.498 3.895 1.00 0.00 C ATOM 816 C LYS A 56 0.542 -21.793 4.141 1.00 0.00 C ATOM 817 O LYS A 56 1.220 -22.351 3.301 1.00 0.00 O ATOM 818 CB LYS A 56 -1.717 -22.813 3.818 1.00 0.00 C ATOM 819 CG LYS A 56 -1.788 -23.446 5.209 1.00 0.00 C ATOM 820 CD LYS A 56 -2.501 -24.797 5.117 1.00 0.00 C ATOM 821 CE LYS A 56 -2.650 -25.392 6.519 1.00 0.00 C ATOM 822 NZ LYS A 56 -3.787 -26.356 6.530 1.00 0.00 N ATOM 0 H LYS A 56 -0.665 -21.213 1.799 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.332 -20.893 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.722 -22.632 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.230 -23.495 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.784 -23.579 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.321 -22.787 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.481 -24.672 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.935 -25.477 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.729 -25.896 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.824 -24.599 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.889 -26.761 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.664 -25.862 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.602 -27.119 5.847 1.00 0.00 H new ATOM 836 N ILE A 57 1.051 -21.421 5.283 1.00 0.00 N ATOM 837 CA ILE A 57 2.489 -21.681 5.575 1.00 0.00 C ATOM 838 C ILE A 57 2.608 -22.649 6.754 1.00 0.00 C ATOM 839 O ILE A 57 1.990 -22.468 7.783 1.00 0.00 O ATOM 840 CB ILE A 57 3.184 -20.363 5.927 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.882 -19.322 4.846 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.694 -20.589 6.008 1.00 0.00 C ATOM 843 CD1 ILE A 57 2.993 -17.919 5.445 1.00 0.00 C ATOM 0 H ILE A 57 0.535 -20.949 6.025 1.00 0.00 H new ATOM 0 HA ILE A 57 2.962 -22.121 4.697 1.00 0.00 H new ATOM 0 HB ILE A 57 2.818 -20.005 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.580 -19.431 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.881 -19.479 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.189 -19.651 6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.910 -21.330 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.060 -20.947 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.778 -17.177 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.278 -17.814 6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.003 -17.765 5.826 1.00 0.00 H new ATOM 855 N THR A 58 3.402 -23.675 6.610 1.00 0.00 N ATOM 856 CA THR A 58 3.563 -24.654 7.722 1.00 0.00 C ATOM 857 C THR A 58 4.945 -24.480 8.354 1.00 0.00 C ATOM 858 O THR A 58 5.947 -24.410 7.669 1.00 0.00 O ATOM 859 CB THR A 58 3.426 -26.075 7.172 1.00 0.00 C ATOM 860 OG1 THR A 58 2.176 -26.208 6.511 1.00 0.00 O ATOM 861 CG2 THR A 58 3.506 -27.080 8.323 1.00 0.00 C ATOM 0 H THR A 58 3.946 -23.877 5.771 1.00 0.00 H new ATOM 0 HA THR A 58 2.795 -24.482 8.476 1.00 0.00 H new ATOM 0 HB THR A 58 4.233 -26.270 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.088 -27.118 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.408 -28.092 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.466 -26.978 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.701 -26.887 9.031 1.00 0.00 H new ATOM 869 N PHE A 59 5.008 -24.408 9.655 1.00 0.00 N ATOM 870 CA PHE A 59 6.327 -24.238 10.328 1.00 0.00 C ATOM 871 C PHE A 59 6.759 -25.568 10.950 1.00 0.00 C ATOM 872 O PHE A 59 5.993 -26.229 11.623 1.00 0.00 O ATOM 873 CB PHE A 59 6.204 -23.178 11.426 1.00 0.00 C ATOM 874 CG PHE A 59 5.847 -21.848 10.805 1.00 0.00 C ATOM 875 CD1 PHE A 59 6.859 -20.975 10.388 1.00 0.00 C ATOM 876 CD2 PHE A 59 4.502 -21.486 10.645 1.00 0.00 C ATOM 877 CE1 PHE A 59 6.529 -19.743 9.812 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.173 -20.254 10.069 1.00 0.00 C ATOM 879 CZ PHE A 59 5.187 -19.382 9.653 1.00 0.00 C ATOM 0 H PHE A 59 4.204 -24.459 10.281 1.00 0.00 H new ATOM 0 HA PHE A 59 7.071 -23.921 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.440 -23.472 12.146 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.143 -23.095 11.973 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.895 -21.253 10.511 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.720 -22.158 10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.311 -19.071 9.490 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.137 -19.975 9.945 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.933 -18.431 9.209 1.00 0.00 H new ATOM 974 N TYR A 67 1.078 -23.480 11.940 1.00 0.00 N ATOM 975 CA TYR A 67 1.007 -22.963 10.544 1.00 0.00 C ATOM 976 C TYR A 67 0.132 -21.708 10.508 1.00 0.00 C ATOM 977 O TYR A 67 -0.826 -21.585 11.245 1.00 0.00 O ATOM 978 CB TYR A 67 0.401 -24.034 9.635 1.00 0.00 C ATOM 979 CG TYR A 67 -1.071 -24.178 9.935 1.00 0.00 C ATOM 980 CD1 TYR A 67 -1.495 -25.014 10.975 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.013 -23.475 9.175 1.00 0.00 C ATOM 982 CE1 TYR A 67 -2.861 -25.147 11.254 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.379 -23.608 9.454 1.00 0.00 C ATOM 984 CZ TYR A 67 -3.803 -24.444 10.494 1.00 0.00 C ATOM 985 OH TYR A 67 -5.148 -24.575 10.769 1.00 0.00 O ATOM 0 HA TYR A 67 2.010 -22.716 10.196 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.545 -23.762 8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.909 -24.986 9.789 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.769 -25.556 11.562 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.686 -22.830 8.373 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.188 -25.792 12.056 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.105 -23.066 8.867 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.664 -24.019 10.149 1.00 0.00 H new ATOM 995 N VAL A 68 0.452 -20.775 9.653 1.00 0.00 N ATOM 996 CA VAL A 68 -0.363 -19.531 9.568 1.00 0.00 C ATOM 997 C VAL A 68 -0.802 -19.309 8.118 1.00 0.00 C ATOM 998 O VAL A 68 -0.086 -19.622 7.189 1.00 0.00 O ATOM 999 CB VAL A 68 0.472 -18.340 10.046 1.00 0.00 C ATOM 1000 CG1 VAL A 68 1.206 -18.716 11.334 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.495 -17.959 8.972 1.00 0.00 C ATOM 0 H VAL A 68 1.243 -20.821 9.010 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.245 -19.627 10.201 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.187 -17.492 10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.801 -17.868 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.480 -18.982 12.102 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.861 -19.566 11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.086 -17.111 9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.153 -18.806 8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.974 -17.688 8.053 1.00 0.00 H new ATOM 1011 N LYS A 69 -1.975 -18.773 7.919 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.456 -18.536 6.528 1.00 0.00 C ATOM 1013 C LYS A 69 -2.301 -17.055 6.176 1.00 0.00 C ATOM 1014 O LYS A 69 -2.543 -16.184 6.989 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.930 -18.931 6.425 1.00 0.00 C ATOM 1016 CG LYS A 69 -4.077 -20.429 6.702 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.540 -20.840 6.520 1.00 0.00 C ATOM 1018 CE LYS A 69 -5.704 -22.315 6.889 1.00 0.00 C ATOM 1019 NZ LYS A 69 -6.539 -22.994 5.859 1.00 0.00 N ATOM 0 H LYS A 69 -2.620 -18.490 8.657 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.867 -19.137 5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.522 -18.358 7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.312 -18.695 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.441 -20.999 6.025 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.748 -20.656 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.183 -20.223 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.850 -20.676 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.728 -22.795 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.171 -22.406 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.651 -23.997 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.474 -22.541 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.075 -22.918 4.931 1.00 0.00 H new ATOM 1033 N HIS A 70 -1.901 -16.763 4.968 1.00 0.00 N ATOM 1034 CA HIS A 70 -1.734 -15.340 4.562 1.00 0.00 C ATOM 1035 C HIS A 70 -2.729 -15.011 3.448 1.00 0.00 C ATOM 1036 O HIS A 70 -2.977 -15.812 2.569 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.308 -15.119 4.052 1.00 0.00 C ATOM 1038 CG HIS A 70 0.661 -15.254 5.195 1.00 0.00 C ATOM 1039 ND1 HIS A 70 2.022 -15.040 5.040 1.00 0.00 N ATOM 1040 CD2 HIS A 70 0.481 -15.580 6.516 1.00 0.00 C ATOM 1041 CE1 HIS A 70 2.603 -15.239 6.237 1.00 0.00 C ATOM 1042 NE2 HIS A 70 1.709 -15.570 7.173 1.00 0.00 N ATOM 0 H HIS A 70 -1.683 -17.449 4.245 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.918 -14.692 5.419 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.072 -15.845 3.274 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.221 -14.130 3.602 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.497 -14.779 4.176 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.469 -15.809 6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.663 -15.143 6.419 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.303 -13.839 3.477 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.282 -13.464 2.419 1.00 0.00 C ATOM 1052 C LYS A 71 -3.836 -12.165 1.744 1.00 0.00 C ATOM 1053 O LYS A 71 -3.377 -11.244 2.391 1.00 0.00 O ATOM 1054 CB LYS A 71 -5.662 -13.264 3.048 1.00 0.00 C ATOM 1055 CG LYS A 71 -6.697 -13.038 1.945 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.051 -12.710 2.576 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.133 -12.718 1.493 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.152 -13.756 1.817 1.00 0.00 N ATOM 0 H LYS A 71 -3.136 -13.126 4.187 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.333 -14.259 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.933 -14.137 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.644 -12.410 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.379 -12.223 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.780 -13.928 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.290 -13.440 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.012 -11.734 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.605 -11.738 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.687 -12.922 0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.682 -14.003 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.678 -14.604 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.809 -13.386 2.534 1.00 0.00 H new ATOM 1072 N ILE A 72 -3.968 -12.083 0.449 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.555 -10.843 -0.267 1.00 0.00 C ATOM 1074 C ILE A 72 -4.795 -10.012 -0.599 1.00 0.00 C ATOM 1075 O ILE A 72 -5.799 -10.529 -1.048 1.00 0.00 O ATOM 1076 CB ILE A 72 -2.829 -11.219 -1.560 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.656 -12.147 -1.237 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.305 -9.951 -2.237 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.003 -12.618 -2.539 1.00 0.00 C ATOM 0 H ILE A 72 -4.344 -12.822 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.886 -10.261 0.367 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.521 -11.730 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.925 -11.625 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.005 -13.005 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.787 -10.218 -3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.140 -9.290 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.613 -9.440 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.167 -13.279 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.736 -13.156 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.640 -11.755 -3.097 1.00 0.00 H new ATOM 1091 N HIS A 73 -4.735 -8.726 -0.382 1.00 0.00 N ATOM 1092 CA HIS A 73 -5.912 -7.864 -0.685 1.00 0.00 C ATOM 1093 C HIS A 73 -5.833 -7.382 -2.135 1.00 0.00 C ATOM 1094 O HIS A 73 -6.787 -7.473 -2.882 1.00 0.00 O ATOM 1095 CB HIS A 73 -5.918 -6.657 0.255 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.173 -7.120 1.663 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.371 -7.704 2.044 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.394 -7.092 2.793 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.280 -8.001 3.353 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.095 -7.648 3.859 1.00 0.00 N ATOM 0 H HIS A 73 -3.922 -8.236 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.827 -8.438 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.963 -6.135 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.687 -5.948 -0.051 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.175 -7.877 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.390 -6.698 2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.068 -8.468 3.925 1.00 0.00 H new ATOM 1108 N SER A 74 -4.703 -6.870 -2.541 1.00 0.00 N ATOM 1109 CA SER A 74 -4.568 -6.384 -3.943 1.00 0.00 C ATOM 1110 C SER A 74 -3.119 -5.969 -4.202 1.00 0.00 C ATOM 1111 O SER A 74 -2.406 -5.568 -3.303 1.00 0.00 O ATOM 1112 CB SER A 74 -5.491 -5.183 -4.158 1.00 0.00 C ATOM 1113 OG SER A 74 -5.376 -4.733 -5.500 1.00 0.00 O ATOM 0 H SER A 74 -3.869 -6.767 -1.963 1.00 0.00 H new ATOM 0 HA SER A 74 -4.845 -7.182 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.523 -5.461 -3.943 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.227 -4.380 -3.470 1.00 0.00 H new ATOM 0 HG SER A 74 -5.968 -3.965 -5.639 1.00 0.00 H new ATOM 1119 N ILE A 75 -2.678 -6.058 -5.427 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.275 -5.668 -5.744 1.00 0.00 C ATOM 1121 C ILE A 75 -1.276 -4.655 -6.891 1.00 0.00 C ATOM 1122 O ILE A 75 -2.083 -4.728 -7.797 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.481 -6.908 -6.160 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.061 -7.475 -7.457 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -0.573 -7.964 -5.057 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.185 -8.630 -7.946 1.00 0.00 C ATOM 0 H ILE A 75 -3.228 -6.384 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.814 -5.221 -4.863 1.00 0.00 H new ATOM 0 HB ILE A 75 0.562 -6.635 -6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.080 -7.823 -7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.111 -6.695 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.008 -8.848 -5.352 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.160 -7.561 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.617 -8.236 -4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.598 -9.034 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.827 -8.267 -8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.158 -9.413 -7.188 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.377 -3.708 -6.860 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.327 -2.694 -7.950 1.00 0.00 C ATOM 1140 C ASP A 76 1.065 -2.694 -8.583 1.00 0.00 C ATOM 1141 O ASP A 76 1.953 -1.983 -8.155 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.623 -1.309 -7.369 1.00 0.00 C ATOM 1143 CG ASP A 76 -2.047 -1.284 -6.810 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.795 -2.201 -7.104 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.365 -0.347 -6.095 1.00 0.00 O ATOM 0 H ASP A 76 0.324 -3.594 -6.128 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.071 -2.938 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.092 -1.073 -6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.510 -0.548 -8.141 1.00 0.00 H new ATOM 1150 N LYS A 77 1.264 -3.488 -9.600 1.00 0.00 N ATOM 1151 CA LYS A 77 2.599 -3.533 -10.260 1.00 0.00 C ATOM 1152 C LYS A 77 2.930 -2.155 -10.835 1.00 0.00 C ATOM 1153 O LYS A 77 4.063 -1.719 -10.817 1.00 0.00 O ATOM 1154 CB LYS A 77 2.577 -4.566 -11.388 1.00 0.00 C ATOM 1155 CG LYS A 77 2.413 -5.966 -10.793 1.00 0.00 C ATOM 1156 CD LYS A 77 2.530 -7.010 -11.906 1.00 0.00 C ATOM 1157 CE LYS A 77 2.207 -8.395 -11.342 1.00 0.00 C ATOM 1158 NZ LYS A 77 1.307 -9.118 -12.284 1.00 0.00 N ATOM 0 H LYS A 77 0.560 -4.107 -10.002 1.00 0.00 H new ATOM 0 HA LYS A 77 3.357 -3.812 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.758 -4.353 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.500 -4.510 -11.965 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.175 -6.142 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.445 -6.052 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.846 -6.768 -12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.537 -7.001 -12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.126 -8.962 -11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.729 -8.300 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.087 -10.060 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.426 -8.579 -12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.779 -9.221 -13.205 1.00 0.00 H new ATOM 1172 N VAL A 78 1.948 -1.464 -11.348 1.00 0.00 N ATOM 1173 CA VAL A 78 2.208 -0.116 -11.925 1.00 0.00 C ATOM 1174 C VAL A 78 2.519 0.871 -10.798 1.00 0.00 C ATOM 1175 O VAL A 78 3.360 1.737 -10.933 1.00 0.00 O ATOM 1176 CB VAL A 78 0.971 0.359 -12.690 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.152 1.823 -13.096 1.00 0.00 C ATOM 1178 CG2 VAL A 78 0.787 -0.498 -13.944 1.00 0.00 C ATOM 0 H VAL A 78 0.978 -1.775 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 78 3.058 -0.171 -12.605 1.00 0.00 H new ATOM 0 HB VAL A 78 0.092 0.265 -12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.271 2.161 -13.641 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.283 2.435 -12.203 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.031 1.918 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.094 -0.160 -14.490 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.666 -0.404 -14.581 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.657 -1.541 -13.656 1.00 0.00 H new ATOM 1188 N ASN A 79 1.848 0.745 -9.686 1.00 0.00 N ATOM 1189 CA ASN A 79 2.106 1.677 -8.551 1.00 0.00 C ATOM 1190 C ASN A 79 3.176 1.080 -7.631 1.00 0.00 C ATOM 1191 O ASN A 79 3.513 1.644 -6.610 1.00 0.00 O ATOM 1192 CB ASN A 79 0.813 1.887 -7.761 1.00 0.00 C ATOM 1193 CG ASN A 79 -0.267 2.445 -8.692 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -1.403 1.815 -8.805 1.00 0.00 O flip ATOM 1195 ND2 ASN A 79 -0.073 3.466 -9.322 1.00 0.00 N flip ATOM 0 H ASN A 79 1.133 0.038 -9.514 1.00 0.00 H new ATOM 0 HA ASN A 79 2.455 2.634 -8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.482 0.944 -7.326 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.987 2.575 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.816 3.959 -9.234 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.799 3.830 -9.939 1.00 0.00 H new ATOM 1202 N HIS A 80 3.713 -0.056 -7.987 1.00 0.00 N ATOM 1203 CA HIS A 80 4.761 -0.684 -7.133 1.00 0.00 C ATOM 1204 C HIS A 80 4.263 -0.770 -5.689 1.00 0.00 C ATOM 1205 O HIS A 80 4.965 -0.422 -4.760 1.00 0.00 O ATOM 1206 CB HIS A 80 6.034 0.163 -7.185 1.00 0.00 C ATOM 1207 CG HIS A 80 6.395 0.438 -8.618 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.016 1.604 -9.266 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.099 -0.293 -9.543 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.490 1.540 -10.524 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.158 0.405 -10.745 1.00 0.00 N ATOM 0 H HIS A 80 3.471 -0.575 -8.831 1.00 0.00 H new ATOM 0 HA HIS A 80 4.976 -1.687 -7.501 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.882 1.101 -6.651 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.851 -0.359 -6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.540 -1.263 -9.365 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.347 2.313 -11.265 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.614 0.113 -11.609 1.00 0.00 H new ATOM 1219 N THR A 81 3.058 -1.230 -5.493 1.00 0.00 N ATOM 1220 CA THR A 81 2.519 -1.338 -4.108 1.00 0.00 C ATOM 1221 C THR A 81 1.970 -2.748 -3.881 1.00 0.00 C ATOM 1222 O THR A 81 1.276 -3.295 -4.714 1.00 0.00 O ATOM 1223 CB THR A 81 1.396 -0.316 -3.915 1.00 0.00 C ATOM 1224 OG1 THR A 81 1.872 0.977 -4.264 1.00 0.00 O ATOM 1225 CG2 THR A 81 0.945 -0.319 -2.454 1.00 0.00 C ATOM 0 H THR A 81 2.424 -1.535 -6.231 1.00 0.00 H new ATOM 0 HA THR A 81 3.317 -1.140 -3.393 1.00 0.00 H new ATOM 0 HB THR A 81 0.551 -0.578 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.256 0.952 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.145 0.409 -2.319 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.581 -1.311 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.787 -0.057 -1.813 1.00 0.00 H new ATOM 1233 N TYR A 82 2.276 -3.339 -2.759 1.00 0.00 N ATOM 1234 CA TYR A 82 1.772 -4.713 -2.478 1.00 0.00 C ATOM 1235 C TYR A 82 1.103 -4.736 -1.102 1.00 0.00 C ATOM 1236 O TYR A 82 1.713 -4.421 -0.099 1.00 0.00 O ATOM 1237 CB TYR A 82 2.943 -5.698 -2.491 1.00 0.00 C ATOM 1238 CG TYR A 82 2.421 -7.107 -2.334 1.00 0.00 C ATOM 1239 CD1 TYR A 82 2.058 -7.849 -3.464 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.302 -7.671 -1.058 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.575 -9.155 -3.318 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.820 -8.978 -0.912 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.456 -9.719 -2.043 1.00 0.00 C ATOM 1244 OH TYR A 82 0.981 -11.007 -1.899 1.00 0.00 O ATOM 0 H TYR A 82 2.853 -2.930 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 82 1.048 -4.999 -3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.498 -5.607 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.637 -5.464 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.150 -7.414 -4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.582 -7.098 -0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.294 -9.727 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.729 -9.414 0.072 1.00 0.00 H new ATOM 0 HH TYR A 82 1.182 -11.331 -0.996 1.00 0.00 H new ATOM 1254 N SER A 83 -0.149 -5.102 -1.045 1.00 0.00 N ATOM 1255 CA SER A 83 -0.853 -5.140 0.268 1.00 0.00 C ATOM 1256 C SER A 83 -1.266 -6.578 0.589 1.00 0.00 C ATOM 1257 O SER A 83 -1.736 -7.304 -0.264 1.00 0.00 O ATOM 1258 CB SER A 83 -2.098 -4.253 0.205 1.00 0.00 C ATOM 1259 OG SER A 83 -1.723 -2.933 -0.159 1.00 0.00 O ATOM 0 H SER A 83 -0.713 -5.376 -1.849 1.00 0.00 H new ATOM 0 HA SER A 83 -0.184 -4.774 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.806 -4.654 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.601 -4.246 1.172 1.00 0.00 H new ATOM 0 HG SER A 83 -2.521 -2.366 -0.201 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.096 -6.992 1.815 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.481 -8.381 2.194 1.00 0.00 C ATOM 1267 C TYR A 84 -1.847 -8.417 3.680 1.00 0.00 C ATOM 1268 O TYR A 84 -1.573 -7.491 4.418 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.308 -9.329 1.928 1.00 0.00 C ATOM 1270 CG TYR A 84 0.771 -9.109 2.962 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.734 -8.111 2.770 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.810 -9.906 4.112 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.735 -7.910 3.729 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.810 -9.705 5.071 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.773 -8.706 4.879 1.00 0.00 C ATOM 1276 OH TYR A 84 3.760 -8.509 5.823 1.00 0.00 O ATOM 0 H TYR A 84 -0.707 -6.428 2.571 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.339 -8.697 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.650 -10.364 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.092 -9.156 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.705 -7.496 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.068 -10.677 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.478 -7.140 3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.839 -10.320 5.958 1.00 0.00 H new ATOM 0 HH TYR A 84 3.369 -8.104 6.625 1.00 0.00 H new ATOM 1286 N SER A 85 -2.464 -9.476 4.125 1.00 0.00 N ATOM 1287 CA SER A 85 -2.847 -9.563 5.563 1.00 0.00 C ATOM 1288 C SER A 85 -2.731 -11.014 6.038 1.00 0.00 C ATOM 1289 O SER A 85 -2.726 -11.937 5.248 1.00 0.00 O ATOM 1290 CB SER A 85 -4.290 -9.083 5.737 1.00 0.00 C ATOM 1291 OG SER A 85 -5.173 -9.998 5.106 1.00 0.00 O ATOM 0 H SER A 85 -2.719 -10.284 3.557 1.00 0.00 H new ATOM 0 HA SER A 85 -2.181 -8.934 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.532 -9.000 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.409 -8.090 5.304 1.00 0.00 H new ATOM 0 HG SER A 85 -5.639 -9.549 4.370 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.637 -11.221 7.324 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.522 -12.611 7.849 1.00 0.00 C ATOM 1299 C LEU A 86 -3.884 -13.073 8.370 1.00 0.00 C ATOM 1300 O LEU A 86 -4.548 -12.372 9.109 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.503 -12.642 8.990 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.101 -14.090 9.277 1.00 0.00 C ATOM 1303 CD1 LEU A 86 0.066 -14.111 10.268 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -2.292 -14.842 9.876 1.00 0.00 C ATOM 0 H LEU A 86 -2.635 -10.488 8.033 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.194 -13.276 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.624 -12.056 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.929 -12.188 9.885 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.797 -14.572 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.352 -15.143 10.472 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.915 -13.577 9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.237 -13.628 11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.005 -15.874 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.597 -14.359 10.804 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.123 -14.829 9.170 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.309 -14.247 7.990 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.628 -14.752 8.463 1.00 0.00 C ATOM 1318 C ILE A 87 -5.445 -15.509 9.780 1.00 0.00 C ATOM 1319 O ILE A 87 -5.796 -15.027 10.839 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.220 -15.692 7.411 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.258 -14.983 6.055 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.641 -16.085 7.820 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.870 -13.591 6.223 1.00 0.00 C ATOM 0 H ILE A 87 -3.799 -14.878 7.372 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.303 -13.911 8.621 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.602 -16.587 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.251 -14.902 5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.844 -15.566 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.063 -16.755 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.615 -16.591 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.258 -15.190 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.897 -13.086 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.884 -13.684 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.266 -13.010 6.919 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.899 -16.693 9.724 1.00 0.00 N ATOM 1336 CA GLU A 88 -4.696 -17.480 10.973 1.00 0.00 C ATOM 1337 C GLU A 88 -3.208 -17.796 11.142 1.00 0.00 C ATOM 1338 O GLU A 88 -2.473 -17.899 10.181 1.00 0.00 O ATOM 1339 CB GLU A 88 -5.488 -18.785 10.888 1.00 0.00 C ATOM 1340 CG GLU A 88 -6.957 -18.474 10.597 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.752 -19.780 10.529 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -7.128 -20.828 10.497 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -8.970 -19.710 10.511 1.00 0.00 O ATOM 0 H GLU A 88 -4.585 -17.149 8.867 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.043 -16.900 11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.078 -19.421 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.401 -19.337 11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.364 -17.828 11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.045 -17.933 9.655 1.00 0.00 H new ATOM 1350 N GLY A 89 -2.760 -17.953 12.358 1.00 0.00 N ATOM 1351 CA GLY A 89 -1.321 -18.264 12.587 1.00 0.00 C ATOM 1352 C GLY A 89 -1.101 -18.608 14.062 1.00 0.00 C ATOM 1353 O GLY A 89 -1.846 -18.188 14.925 1.00 0.00 O ATOM 0 H GLY A 89 -3.328 -17.879 13.202 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.014 -19.100 11.958 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.704 -17.410 12.306 1.00 0.00 H new ATOM 1357 N ASP A 90 -0.083 -19.368 14.358 1.00 0.00 N ATOM 1358 CA ASP A 90 0.185 -19.738 15.776 1.00 0.00 C ATOM 1359 C ASP A 90 0.330 -18.467 16.614 1.00 0.00 C ATOM 1360 O ASP A 90 -0.278 -18.328 17.658 1.00 0.00 O ATOM 1361 CB ASP A 90 1.478 -20.551 15.856 1.00 0.00 C ATOM 1362 CG ASP A 90 1.330 -21.641 16.918 1.00 0.00 C ATOM 1363 OD1 ASP A 90 0.284 -21.693 17.543 1.00 0.00 O ATOM 1364 OD2 ASP A 90 2.265 -22.408 17.086 1.00 0.00 O ATOM 0 H ASP A 90 0.575 -19.749 13.678 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.643 -20.335 16.159 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.699 -21.000 14.887 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.316 -19.899 16.103 1.00 0.00 H new ATOM 1369 N ALA A 91 1.129 -17.537 16.167 1.00 0.00 N ATOM 1370 CA ALA A 91 1.308 -16.276 16.939 1.00 0.00 C ATOM 1371 C ALA A 91 -0.054 -15.611 17.146 1.00 0.00 C ATOM 1372 O ALA A 91 -0.266 -14.887 18.097 1.00 0.00 O ATOM 1373 CB ALA A 91 2.227 -15.330 16.165 1.00 0.00 C ATOM 0 H ALA A 91 1.665 -17.596 15.301 1.00 0.00 H new ATOM 0 HA ALA A 91 1.754 -16.501 17.908 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.358 -14.407 16.730 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.197 -15.805 16.016 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.782 -15.102 15.196 1.00 0.00 H new ATOM 1379 N LEU A 92 -0.980 -15.853 16.259 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.330 -15.238 16.399 1.00 0.00 C ATOM 1381 C LEU A 92 -3.156 -16.046 17.402 1.00 0.00 C ATOM 1382 O LEU A 92 -4.013 -15.519 18.088 1.00 0.00 O ATOM 1383 CB LEU A 92 -3.032 -15.246 15.041 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.263 -14.359 14.061 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.045 -15.119 13.532 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -3.176 -13.981 12.892 1.00 0.00 C ATOM 0 H LEU A 92 -0.859 -16.451 15.442 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.229 -14.212 16.753 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.091 -16.264 14.657 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.055 -14.886 15.147 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.932 -13.455 14.572 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.497 -14.487 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.395 -15.389 14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.374 -16.024 13.021 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.629 -13.349 12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.506 -14.885 12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.044 -13.439 13.268 1.00 0.00 H new ATOM 1398 N SER A 93 -2.905 -17.323 17.491 1.00 0.00 N ATOM 1399 CA SER A 93 -3.672 -18.170 18.447 1.00 0.00 C ATOM 1400 C SER A 93 -5.168 -18.043 18.159 1.00 0.00 C ATOM 1401 O SER A 93 -5.610 -17.114 17.512 1.00 0.00 O ATOM 1402 CB SER A 93 -3.388 -17.709 19.879 1.00 0.00 C ATOM 1403 OG SER A 93 -2.184 -18.304 20.339 1.00 0.00 O ATOM 0 H SER A 93 -2.201 -17.817 16.942 1.00 0.00 H new ATOM 0 HA SER A 93 -3.368 -19.210 18.332 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.305 -16.623 19.913 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.215 -17.986 20.532 1.00 0.00 H new ATOM 0 HG SER A 93 -1.531 -18.329 19.608 1.00 0.00 H new ATOM 1409 N GLU A 94 -5.953 -18.968 18.639 1.00 0.00 N ATOM 1410 CA GLU A 94 -7.420 -18.895 18.399 1.00 0.00 C ATOM 1411 C GLU A 94 -7.999 -17.709 19.173 1.00 0.00 C ATOM 1412 O GLU A 94 -9.154 -17.364 19.027 1.00 0.00 O ATOM 1413 CB GLU A 94 -8.081 -20.189 18.878 1.00 0.00 C ATOM 1414 CG GLU A 94 -7.503 -21.374 18.101 1.00 0.00 C ATOM 1415 CD GLU A 94 -8.171 -22.667 18.573 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -8.855 -22.623 19.583 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -7.987 -23.679 17.917 1.00 0.00 O ATOM 0 H GLU A 94 -5.641 -19.770 19.186 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.610 -18.765 17.334 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.911 -20.323 19.946 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.160 -20.135 18.731 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.667 -21.237 17.032 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.425 -21.432 18.254 1.00 0.00 H new ATOM 1424 N ASN A 95 -7.203 -17.083 19.999 1.00 0.00 N ATOM 1425 CA ASN A 95 -7.703 -15.923 20.786 1.00 0.00 C ATOM 1426 C ASN A 95 -7.880 -14.715 19.866 1.00 0.00 C ATOM 1427 O ASN A 95 -8.850 -13.991 19.962 1.00 0.00 O ATOM 1428 CB ASN A 95 -6.696 -15.575 21.881 1.00 0.00 C ATOM 1429 CG ASN A 95 -6.558 -16.758 22.840 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -5.462 -17.137 23.202 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -7.632 -17.361 23.270 1.00 0.00 N ATOM 0 H ASN A 95 -6.226 -17.327 20.161 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.661 -16.183 21.237 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.729 -15.337 21.438 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.025 -14.689 22.424 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.552 -18.151 23.910 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.552 -17.043 22.966 1.00 0.00 H new ATOM 1438 N ILE A 96 -6.950 -14.481 18.980 1.00 0.00 N ATOM 1439 CA ILE A 96 -7.084 -13.305 18.075 1.00 0.00 C ATOM 1440 C ILE A 96 -6.277 -13.521 16.794 1.00 0.00 C ATOM 1441 O ILE A 96 -5.076 -13.704 16.828 1.00 0.00 O ATOM 1442 CB ILE A 96 -6.561 -12.058 18.789 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -5.143 -12.319 19.300 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -7.474 -11.726 19.971 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -4.128 -11.796 18.282 1.00 0.00 C ATOM 0 H ILE A 96 -6.112 -15.047 18.845 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.135 -13.179 17.816 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.548 -11.220 18.092 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.996 -11.827 20.262 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.994 -13.387 19.462 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.101 -10.837 20.480 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.485 -11.540 19.609 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.487 -12.564 20.667 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.118 -11.982 18.647 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.270 -12.308 17.330 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.272 -10.725 18.143 1.00 0.00 H new ATOM 1457 N GLU A 97 -6.924 -13.475 15.661 1.00 0.00 N ATOM 1458 CA GLU A 97 -6.187 -13.649 14.379 1.00 0.00 C ATOM 1459 C GLU A 97 -6.691 -12.612 13.376 1.00 0.00 C ATOM 1460 O GLU A 97 -7.784 -12.711 12.857 1.00 0.00 O ATOM 1461 CB GLU A 97 -6.436 -15.056 13.831 1.00 0.00 C ATOM 1462 CG GLU A 97 -6.403 -16.067 14.979 1.00 0.00 C ATOM 1463 CD GLU A 97 -6.835 -17.440 14.461 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -7.573 -17.479 13.490 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -6.420 -18.427 15.043 1.00 0.00 O ATOM 0 H GLU A 97 -7.929 -13.325 15.569 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.118 -13.515 14.545 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.401 -15.095 13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.678 -15.308 13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.399 -16.124 15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.066 -15.744 15.782 1.00 0.00 H new ATOM 1472 N LYS A 98 -5.896 -11.615 13.101 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.315 -10.564 12.134 1.00 0.00 C ATOM 1474 C LYS A 98 -5.185 -9.543 11.989 1.00 0.00 C ATOM 1475 O LYS A 98 -5.088 -8.605 12.756 1.00 0.00 O ATOM 1476 CB LYS A 98 -7.574 -9.866 12.653 1.00 0.00 C ATOM 1477 CG LYS A 98 -8.114 -8.920 11.579 1.00 0.00 C ATOM 1478 CD LYS A 98 -9.521 -8.459 11.967 1.00 0.00 C ATOM 1479 CE LYS A 98 -10.168 -7.744 10.779 1.00 0.00 C ATOM 1480 NZ LYS A 98 -11.550 -7.324 11.143 1.00 0.00 N ATOM 0 H LYS A 98 -4.970 -11.483 13.507 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.529 -11.016 11.166 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.331 -10.606 12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.345 -9.309 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.454 -8.059 11.472 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.138 -9.425 10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.127 -9.315 12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.472 -7.789 12.826 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.575 -6.874 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.194 -8.406 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.989 -6.838 10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.114 -8.162 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.513 -6.678 11.957 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.326 -9.713 11.023 1.00 0.00 N ATOM 1495 CA ILE A 99 -3.208 -8.745 10.856 1.00 0.00 C ATOM 1496 C ILE A 99 -3.229 -8.159 9.445 1.00 0.00 C ATOM 1497 O ILE A 99 -3.077 -8.863 8.466 1.00 0.00 O ATOM 1498 CB ILE A 99 -1.876 -9.460 11.090 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -1.962 -10.293 12.371 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -0.760 -8.423 11.230 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -0.626 -10.999 12.612 1.00 0.00 C ATOM 0 H ILE A 99 -4.349 -10.476 10.346 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.324 -7.938 11.579 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.661 -10.115 10.245 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.205 -9.652 13.219 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.763 -11.027 12.287 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.190 -8.931 11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.699 -7.829 10.318 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.975 -7.769 12.075 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.687 -11.592 13.524 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.402 -11.652 11.769 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.165 -10.256 12.715 1.00 0.00 H new ATOM 1513 N ASP A 100 -3.409 -6.872 9.333 1.00 0.00 N ATOM 1514 CA ASP A 100 -3.430 -6.236 7.987 1.00 0.00 C ATOM 1515 C ASP A 100 -2.025 -5.732 7.652 1.00 0.00 C ATOM 1516 O ASP A 100 -1.476 -4.896 8.344 1.00 0.00 O ATOM 1517 CB ASP A 100 -4.408 -5.059 7.992 1.00 0.00 C ATOM 1518 CG ASP A 100 -4.475 -4.445 6.592 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -5.256 -4.929 5.790 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -3.741 -3.502 6.345 1.00 0.00 O ATOM 0 H ASP A 100 -3.543 -6.233 10.117 1.00 0.00 H new ATOM 0 HA ASP A 100 -3.748 -6.964 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.398 -5.396 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.087 -4.309 8.715 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.436 -6.238 6.604 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.064 -5.790 6.235 1.00 0.00 C ATOM 1527 C TYR A 101 -0.123 -4.944 4.962 1.00 0.00 C ATOM 1528 O TYR A 101 -0.822 -5.264 4.022 1.00 0.00 O ATOM 1529 CB TYR A 101 0.822 -7.015 5.993 1.00 0.00 C ATOM 1530 CG TYR A 101 1.143 -7.672 7.313 1.00 0.00 C ATOM 1531 CD1 TYR A 101 2.130 -7.128 8.143 1.00 0.00 C ATOM 1532 CD2 TYR A 101 0.454 -8.825 7.707 1.00 0.00 C ATOM 1533 CE1 TYR A 101 2.428 -7.737 9.368 1.00 0.00 C ATOM 1534 CE2 TYR A 101 0.753 -9.434 8.932 1.00 0.00 C ATOM 1535 CZ TYR A 101 1.739 -8.890 9.762 1.00 0.00 C ATOM 1536 OH TYR A 101 2.034 -9.490 10.970 1.00 0.00 O ATOM 0 H TYR A 101 -1.845 -6.941 5.988 1.00 0.00 H new ATOM 0 HA TYR A 101 0.352 -5.192 7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.313 -7.721 5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.742 -6.718 5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.662 -6.239 7.839 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.308 -9.245 7.067 1.00 0.00 H new ATOM 0 HE1 TYR A 101 3.189 -7.317 10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.222 -10.324 9.236 1.00 0.00 H new ATOM 0 HH TYR A 101 2.976 -9.334 11.191 1.00 0.00 H new ATOM 1546 N GLU A 102 0.611 -3.866 4.925 1.00 0.00 N ATOM 1547 CA GLU A 102 0.605 -2.998 3.715 1.00 0.00 C ATOM 1548 C GLU A 102 2.047 -2.710 3.295 1.00 0.00 C ATOM 1549 O GLU A 102 2.869 -2.317 4.099 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.107 -1.681 4.035 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.558 -1.969 4.425 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.311 -0.648 4.603 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.663 0.386 4.592 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.521 -0.694 4.747 1.00 0.00 O ATOM 0 H GLU A 102 1.216 -3.549 5.683 1.00 0.00 H new ATOM 0 HA GLU A 102 0.082 -3.504 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.405 -1.167 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.076 -1.019 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.039 -2.573 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.590 -2.545 5.350 1.00 0.00 H new ATOM 1561 N THR A 103 2.366 -2.909 2.047 1.00 0.00 N ATOM 1562 CA THR A 103 3.760 -2.651 1.585 1.00 0.00 C ATOM 1563 C THR A 103 3.752 -1.596 0.478 1.00 0.00 C ATOM 1564 O THR A 103 2.953 -1.645 -0.436 1.00 0.00 O ATOM 1565 CB THR A 103 4.366 -3.949 1.048 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.221 -4.976 2.018 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.851 -3.735 0.745 1.00 0.00 C ATOM 0 H THR A 103 1.723 -3.239 1.327 1.00 0.00 H new ATOM 0 HA THR A 103 4.356 -2.288 2.423 1.00 0.00 H new ATOM 0 HB THR A 103 3.850 -4.239 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.608 -5.808 1.674 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.281 -4.661 0.363 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.960 -2.948 -0.002 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.370 -3.444 1.658 1.00 0.00 H new ATOM 1575 N LYS A 104 4.641 -0.643 0.551 1.00 0.00 N ATOM 1576 CA LYS A 104 4.692 0.415 -0.499 1.00 0.00 C ATOM 1577 C LYS A 104 6.145 0.621 -0.932 1.00 0.00 C ATOM 1578 O LYS A 104 7.002 0.935 -0.131 1.00 0.00 O ATOM 1579 CB LYS A 104 4.135 1.723 0.065 1.00 0.00 C ATOM 1580 CG LYS A 104 4.107 2.782 -1.039 1.00 0.00 C ATOM 1581 CD LYS A 104 3.574 4.099 -0.471 1.00 0.00 C ATOM 1582 CE LYS A 104 3.333 5.088 -1.614 1.00 0.00 C ATOM 1583 NZ LYS A 104 3.717 6.459 -1.174 1.00 0.00 N ATOM 0 H LYS A 104 5.335 -0.551 1.293 1.00 0.00 H new ATOM 0 HA LYS A 104 4.093 0.110 -1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.130 1.564 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.751 2.065 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.109 2.927 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.476 2.447 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.646 3.923 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.287 4.516 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.916 4.799 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.284 5.070 -1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.131 7.160 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.569 6.549 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.719 6.627 -1.395 1.00 0.00 H new ATOM 1597 N LEU A 105 6.430 0.443 -2.193 1.00 0.00 N ATOM 1598 CA LEU A 105 7.830 0.625 -2.672 1.00 0.00 C ATOM 1599 C LEU A 105 8.011 2.045 -3.214 1.00 0.00 C ATOM 1600 O LEU A 105 7.363 2.446 -4.160 1.00 0.00 O ATOM 1601 CB LEU A 105 8.123 -0.386 -3.782 1.00 0.00 C ATOM 1602 CG LEU A 105 8.121 -1.800 -3.197 1.00 0.00 C ATOM 1603 CD1 LEU A 105 9.074 -1.859 -2.003 1.00 0.00 C ATOM 1604 CD2 LEU A 105 6.706 -2.161 -2.740 1.00 0.00 C ATOM 0 H LEU A 105 5.755 0.180 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 105 8.519 0.467 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.373 -0.305 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.089 -0.171 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 105 8.448 -2.509 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.073 -2.866 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.082 -1.602 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.748 -1.151 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.704 -3.168 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.378 -1.453 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.027 -2.119 -3.592 1.00 0.00 H new ATOM 1616 N VAL A 106 8.891 2.805 -2.622 1.00 0.00 N ATOM 1617 CA VAL A 106 9.120 4.196 -3.103 1.00 0.00 C ATOM 1618 C VAL A 106 10.624 4.439 -3.252 1.00 0.00 C ATOM 1619 O VAL A 106 11.415 4.005 -2.438 1.00 0.00 O ATOM 1620 CB VAL A 106 8.540 5.188 -2.092 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.749 6.616 -2.599 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.043 4.922 -1.921 1.00 0.00 C ATOM 0 H VAL A 106 9.462 2.522 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 106 8.631 4.334 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 106 9.044 5.067 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.336 7.322 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.815 6.806 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.245 6.739 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.628 5.628 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.540 5.044 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 106 6.893 3.905 -1.560 1.00 0.00 H new ATOM 1632 N SER A 107 11.026 5.127 -4.284 1.00 0.00 N ATOM 1633 CA SER A 107 12.479 5.393 -4.482 1.00 0.00 C ATOM 1634 C SER A 107 12.774 6.865 -4.186 1.00 0.00 C ATOM 1635 O SER A 107 11.950 7.730 -4.405 1.00 0.00 O ATOM 1636 CB SER A 107 12.864 5.077 -5.928 1.00 0.00 C ATOM 1637 OG SER A 107 14.246 4.760 -5.992 1.00 0.00 O ATOM 0 H SER A 107 10.412 5.517 -4.999 1.00 0.00 H new ATOM 0 HA SER A 107 13.058 4.763 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.271 4.241 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.646 5.932 -6.569 1.00 0.00 H new ATOM 0 HG SER A 107 14.644 4.850 -5.101 1.00 0.00 H new ATOM 1643 N ALA A 108 13.945 7.156 -3.688 1.00 0.00 N ATOM 1644 CA ALA A 108 14.292 8.572 -3.377 1.00 0.00 C ATOM 1645 C ALA A 108 15.270 9.102 -4.429 1.00 0.00 C ATOM 1646 O ALA A 108 15.747 8.367 -5.272 1.00 0.00 O ATOM 1647 CB ALA A 108 14.941 8.647 -1.994 1.00 0.00 C ATOM 0 H ALA A 108 14.676 6.475 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 108 13.386 9.177 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.195 9.682 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.245 8.271 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.847 8.041 -1.984 1.00 0.00 H new ATOM 1653 N PRO A 109 15.570 10.407 -4.372 1.00 0.00 N ATOM 1654 CA PRO A 109 16.491 11.051 -5.318 1.00 0.00 C ATOM 1655 C PRO A 109 17.938 10.603 -5.097 1.00 0.00 C ATOM 1656 O PRO A 109 18.791 10.787 -5.942 1.00 0.00 O ATOM 1657 CB PRO A 109 16.349 12.539 -4.999 1.00 0.00 C ATOM 1658 CG PRO A 109 15.891 12.578 -3.580 1.00 0.00 C ATOM 1659 CD PRO A 109 15.036 11.358 -3.382 1.00 0.00 C ATOM 0 HA PRO A 109 16.257 10.799 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.296 13.063 -5.124 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.629 13.019 -5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.740 12.573 -2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 109 15.325 13.487 -3.379 1.00 0.00 H new ATOM 0 HD2 PRO A 109 15.117 10.970 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.982 11.572 -3.558 1.00 0.00 H new ATOM 1667 N HIS A 110 18.222 10.015 -3.967 1.00 0.00 N ATOM 1668 CA HIS A 110 19.613 9.555 -3.696 1.00 0.00 C ATOM 1669 C HIS A 110 19.916 8.327 -4.556 1.00 0.00 C ATOM 1670 O HIS A 110 21.058 7.977 -4.776 1.00 0.00 O ATOM 1671 CB HIS A 110 19.751 9.190 -2.217 1.00 0.00 C ATOM 1672 CG HIS A 110 19.543 10.419 -1.375 1.00 0.00 C ATOM 1673 ND1 HIS A 110 18.332 10.699 -0.763 1.00 0.00 N ATOM 1674 CD2 HIS A 110 20.382 11.451 -1.035 1.00 0.00 C ATOM 1675 CE1 HIS A 110 18.475 11.858 -0.093 1.00 0.00 C ATOM 1676 NE2 HIS A 110 19.706 12.358 -0.225 1.00 0.00 N ATOM 0 H HIS A 110 17.551 9.833 -3.220 1.00 0.00 H new ATOM 0 HA HIS A 110 20.315 10.353 -3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.021 8.426 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.738 8.768 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.411 11.545 -1.349 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.689 12.326 0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 110 20.072 13.219 0.181 1.00 0.00 H new ATOM 1684 N GLY A 111 18.899 7.668 -5.042 1.00 0.00 N ATOM 1685 CA GLY A 111 19.128 6.463 -5.886 1.00 0.00 C ATOM 1686 C GLY A 111 18.702 5.213 -5.113 1.00 0.00 C ATOM 1687 O GLY A 111 18.445 4.174 -5.686 1.00 0.00 O ATOM 0 H GLY A 111 17.920 7.913 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.560 6.542 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.180 6.393 -6.161 1.00 0.00 H new ATOM 1691 N GLY A 112 18.626 5.307 -3.813 1.00 0.00 N ATOM 1692 CA GLY A 112 18.218 4.124 -3.004 1.00 0.00 C ATOM 1693 C GLY A 112 16.701 3.945 -3.094 1.00 0.00 C ATOM 1694 O GLY A 112 16.007 4.737 -3.701 1.00 0.00 O ATOM 0 H GLY A 112 18.829 6.151 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.723 3.229 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.518 4.259 -1.965 1.00 0.00 H new ATOM 1698 N THR A 113 16.181 2.910 -2.495 1.00 0.00 N ATOM 1699 CA THR A 113 14.709 2.681 -2.547 1.00 0.00 C ATOM 1700 C THR A 113 14.151 2.608 -1.123 1.00 0.00 C ATOM 1701 O THR A 113 14.598 1.823 -0.311 1.00 0.00 O ATOM 1702 CB THR A 113 14.424 1.363 -3.273 1.00 0.00 C ATOM 1703 OG1 THR A 113 14.867 1.462 -4.619 1.00 0.00 O ATOM 1704 CG2 THR A 113 12.922 1.078 -3.246 1.00 0.00 C ATOM 0 H THR A 113 16.711 2.213 -1.972 1.00 0.00 H new ATOM 0 HA THR A 113 14.233 3.503 -3.082 1.00 0.00 H new ATOM 0 HB THR A 113 14.953 0.550 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.671 0.915 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.720 0.140 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.585 1.003 -2.212 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.389 1.888 -3.743 1.00 0.00 H new ATOM 1712 N ILE A 114 13.176 3.418 -0.816 1.00 0.00 N ATOM 1713 CA ILE A 114 12.588 3.393 0.552 1.00 0.00 C ATOM 1714 C ILE A 114 11.337 2.514 0.550 1.00 0.00 C ATOM 1715 O ILE A 114 10.545 2.548 -0.371 1.00 0.00 O ATOM 1716 CB ILE A 114 12.212 4.817 0.972 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.437 5.725 0.851 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.725 4.808 2.422 1.00 0.00 C ATOM 1719 CD1 ILE A 114 13.025 7.175 1.113 1.00 0.00 C ATOM 0 H ILE A 114 12.761 4.097 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 114 13.316 2.988 1.255 1.00 0.00 H new ATOM 0 HB ILE A 114 11.419 5.190 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 114 14.202 5.419 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.874 5.634 -0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.457 5.821 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.852 4.161 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.518 4.435 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.898 7.822 1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.275 7.478 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.608 7.259 2.117 1.00 0.00 H new ATOM 1731 N ILE A 115 11.151 1.722 1.570 1.00 0.00 N ATOM 1732 CA ILE A 115 9.951 0.840 1.618 1.00 0.00 C ATOM 1733 C ILE A 115 9.161 1.112 2.899 1.00 0.00 C ATOM 1734 O ILE A 115 9.679 1.013 3.994 1.00 0.00 O ATOM 1735 CB ILE A 115 10.392 -0.625 1.594 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.356 -0.851 0.428 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.165 -1.524 1.424 1.00 0.00 C ATOM 1738 CD1 ILE A 115 12.118 -2.160 0.642 1.00 0.00 C ATOM 0 H ILE A 115 11.777 1.648 2.372 1.00 0.00 H new ATOM 0 HA ILE A 115 9.319 1.045 0.754 1.00 0.00 H new ATOM 0 HB ILE A 115 10.894 -0.868 2.531 1.00 0.00 H new ATOM 0 HG12 ILE A 115 10.805 -0.888 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.056 -0.018 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.478 -2.568 1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 115 8.479 -1.365 2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.662 -1.281 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 115 12.805 -2.321 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 115 12.682 -2.105 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 115 11.411 -2.988 0.694 1.00 0.00 H new ATOM 1750 N LYS A 116 7.906 1.447 2.772 1.00 0.00 N ATOM 1751 CA LYS A 116 7.078 1.719 3.981 1.00 0.00 C ATOM 1752 C LYS A 116 6.135 0.538 4.218 1.00 0.00 C ATOM 1753 O LYS A 116 5.500 0.047 3.307 1.00 0.00 O ATOM 1754 CB LYS A 116 6.259 2.991 3.764 1.00 0.00 C ATOM 1755 CG LYS A 116 7.202 4.190 3.637 1.00 0.00 C ATOM 1756 CD LYS A 116 6.382 5.477 3.542 1.00 0.00 C ATOM 1757 CE LYS A 116 7.323 6.668 3.353 1.00 0.00 C ATOM 1758 NZ LYS A 116 7.744 6.748 1.926 1.00 0.00 N ATOM 0 H LYS A 116 7.418 1.544 1.882 1.00 0.00 H new ATOM 0 HA LYS A 116 7.726 1.852 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.651 2.896 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.573 3.141 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.869 4.234 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.830 4.080 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.684 5.415 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.787 5.610 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.823 7.590 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.197 6.560 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.315 7.605 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.310 5.910 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.902 6.785 1.317 1.00 0.00 H new ATOM 1772 N THR A 117 6.039 0.073 5.434 1.00 0.00 N ATOM 1773 CA THR A 117 5.139 -1.079 5.716 1.00 0.00 C ATOM 1774 C THR A 117 4.261 -0.769 6.930 1.00 0.00 C ATOM 1775 O THR A 117 4.745 -0.382 7.976 1.00 0.00 O ATOM 1776 CB THR A 117 5.980 -2.325 6.002 1.00 0.00 C ATOM 1777 OG1 THR A 117 6.816 -2.596 4.885 1.00 0.00 O ATOM 1778 CG2 THR A 117 5.057 -3.519 6.252 1.00 0.00 C ATOM 0 H THR A 117 6.543 0.440 6.241 1.00 0.00 H new ATOM 0 HA THR A 117 4.503 -1.257 4.849 1.00 0.00 H new ATOM 0 HB THR A 117 6.596 -2.154 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.357 -3.393 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.657 -4.406 6.456 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.416 -3.310 7.108 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.440 -3.693 5.370 1.00 0.00 H new ATOM 1786 N THR A 118 2.974 -0.944 6.802 1.00 0.00 N ATOM 1787 CA THR A 118 2.063 -0.670 7.948 1.00 0.00 C ATOM 1788 C THR A 118 1.470 -1.991 8.442 1.00 0.00 C ATOM 1789 O THR A 118 1.180 -2.879 7.665 1.00 0.00 O ATOM 1790 CB THR A 118 0.935 0.259 7.493 1.00 0.00 C ATOM 1791 OG1 THR A 118 1.492 1.400 6.854 1.00 0.00 O ATOM 1792 CG2 THR A 118 0.114 0.700 8.704 1.00 0.00 C ATOM 0 H THR A 118 2.514 -1.266 5.951 1.00 0.00 H new ATOM 0 HA THR A 118 2.619 -0.192 8.755 1.00 0.00 H new ATOM 0 HB THR A 118 0.288 -0.270 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.771 1.995 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.689 1.361 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.313 -0.176 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.758 1.229 9.407 1.00 0.00 H new ATOM 1800 N SER A 119 1.294 -2.135 9.727 1.00 0.00 N ATOM 1801 CA SER A 119 0.728 -3.408 10.257 1.00 0.00 C ATOM 1802 C SER A 119 -0.345 -3.103 11.305 1.00 0.00 C ATOM 1803 O SER A 119 -0.206 -2.203 12.110 1.00 0.00 O ATOM 1804 CB SER A 119 1.845 -4.233 10.898 1.00 0.00 C ATOM 1805 OG SER A 119 2.844 -4.511 9.927 1.00 0.00 O ATOM 0 H SER A 119 1.516 -1.430 10.430 1.00 0.00 H new ATOM 0 HA SER A 119 0.280 -3.971 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.279 -3.688 11.736 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.441 -5.164 11.297 1.00 0.00 H new ATOM 0 HG SER A 119 2.665 -5.381 9.513 1.00 0.00 H new ATOM 1811 N LYS A 120 -1.412 -3.856 11.302 1.00 0.00 N ATOM 1812 CA LYS A 120 -2.497 -3.625 12.297 1.00 0.00 C ATOM 1813 C LYS A 120 -2.894 -4.961 12.928 1.00 0.00 C ATOM 1814 O LYS A 120 -2.847 -5.995 12.292 1.00 0.00 O ATOM 1815 CB LYS A 120 -3.710 -3.008 11.598 1.00 0.00 C ATOM 1816 CG LYS A 120 -4.617 -2.347 12.638 1.00 0.00 C ATOM 1817 CD LYS A 120 -5.787 -1.660 11.932 1.00 0.00 C ATOM 1818 CE LYS A 120 -6.584 -0.839 12.949 1.00 0.00 C ATOM 1819 NZ LYS A 120 -7.863 -0.390 12.331 1.00 0.00 N ATOM 0 H LYS A 120 -1.579 -4.623 10.651 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.144 -2.945 13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -3.384 -2.271 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -4.261 -3.777 11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -4.989 -3.094 13.339 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -4.051 -1.619 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -5.417 -1.013 11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -6.431 -2.404 11.464 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -6.787 -1.438 13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.002 0.024 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -8.535 -0.123 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -7.683 0.431 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -8.265 -1.164 11.764 1.00 0.00 H new ATOM 1833 N TYR A 121 -3.283 -4.953 14.175 1.00 0.00 N ATOM 1834 CA TYR A 121 -3.676 -6.229 14.839 1.00 0.00 C ATOM 1835 C TYR A 121 -5.069 -6.086 15.453 1.00 0.00 C ATOM 1836 O TYR A 121 -5.408 -5.066 16.018 1.00 0.00 O ATOM 1837 CB TYR A 121 -2.669 -6.559 15.943 1.00 0.00 C ATOM 1838 CG TYR A 121 -1.328 -6.879 15.326 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -1.021 -8.195 14.963 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -0.391 -5.859 15.119 1.00 0.00 C ATOM 1841 CE1 TYR A 121 0.222 -8.493 14.391 1.00 0.00 C ATOM 1842 CE2 TYR A 121 0.852 -6.156 14.548 1.00 0.00 C ATOM 1843 CZ TYR A 121 1.159 -7.473 14.184 1.00 0.00 C ATOM 1844 OH TYR A 121 2.384 -7.765 13.622 1.00 0.00 O ATOM 0 H TYR A 121 -3.345 -4.120 14.761 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.688 -7.030 14.099 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.574 -5.715 16.627 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.022 -7.407 16.530 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.743 -8.982 15.124 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -0.627 -4.843 15.400 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.458 -9.509 14.110 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.574 -5.369 14.388 1.00 0.00 H new ATOM 0 HH TYR A 121 2.252 -8.283 12.800 1.00 0.00 H new ATOM 1854 N HIS A 122 -5.878 -7.105 15.356 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.246 -7.029 15.944 1.00 0.00 C ATOM 1856 C HIS A 122 -7.497 -8.274 16.796 1.00 0.00 C ATOM 1857 O HIS A 122 -6.636 -9.119 16.946 1.00 0.00 O ATOM 1858 CB HIS A 122 -8.285 -6.955 14.823 1.00 0.00 C ATOM 1859 CG HIS A 122 -7.950 -5.812 13.904 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -8.419 -4.526 14.122 1.00 0.00 N ATOM 1861 CD2 HIS A 122 -7.196 -5.747 12.759 1.00 0.00 C ATOM 1862 CE1 HIS A 122 -7.946 -3.748 13.132 1.00 0.00 C ATOM 1863 NE2 HIS A 122 -7.194 -4.443 12.272 1.00 0.00 N ATOM 0 H HIS A 122 -5.652 -7.986 14.895 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.327 -6.138 16.566 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.301 -7.891 14.265 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.281 -6.817 15.244 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -9.015 -4.224 14.893 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -6.682 -6.581 12.305 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -8.149 -2.691 13.043 1.00 0.00 H new ATOM 1871 N THR A 123 -8.668 -8.399 17.357 1.00 0.00 N ATOM 1872 CA THR A 123 -8.964 -9.593 18.198 1.00 0.00 C ATOM 1873 C THR A 123 -10.264 -10.246 17.726 1.00 0.00 C ATOM 1874 O THR A 123 -11.171 -9.583 17.264 1.00 0.00 O ATOM 1875 CB THR A 123 -9.108 -9.163 19.660 1.00 0.00 C ATOM 1876 OG1 THR A 123 -10.285 -8.381 19.808 1.00 0.00 O ATOM 1877 CG2 THR A 123 -7.889 -8.337 20.073 1.00 0.00 C ATOM 0 H THR A 123 -9.431 -7.728 17.270 1.00 0.00 H new ATOM 0 HA THR A 123 -8.148 -10.310 18.108 1.00 0.00 H new ATOM 0 HB THR A 123 -9.177 -10.047 20.294 1.00 0.00 H new ATOM 0 HG1 THR A 123 -10.380 -8.106 20.744 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.992 -8.031 21.114 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.987 -8.938 19.959 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.818 -7.452 19.440 1.00 0.00 H new ATOM 2169 N ALA A 142 10.547 -6.974 9.865 1.00 0.00 N ATOM 2170 CA ALA A 142 11.616 -6.009 9.485 1.00 0.00 C ATOM 2171 C ALA A 142 12.934 -6.761 9.287 1.00 0.00 C ATOM 2172 O ALA A 142 13.687 -6.483 8.375 1.00 0.00 O ATOM 2173 CB ALA A 142 11.784 -4.970 10.595 1.00 0.00 C ATOM 0 HA ALA A 142 11.340 -5.508 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 142 12.566 -4.264 10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 142 10.845 -4.434 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 142 12.060 -5.470 11.523 1.00 0.00 H new ATOM 2179 N HIS A 143 13.219 -7.710 10.136 1.00 0.00 N ATOM 2180 CA HIS A 143 14.488 -8.478 9.996 1.00 0.00 C ATOM 2181 C HIS A 143 14.499 -9.206 8.651 1.00 0.00 C ATOM 2182 O HIS A 143 15.528 -9.346 8.019 1.00 0.00 O ATOM 2183 CB HIS A 143 14.593 -9.500 11.130 1.00 0.00 C ATOM 2184 CG HIS A 143 15.899 -10.238 11.020 1.00 0.00 C ATOM 2185 ND1 HIS A 143 17.151 -9.966 11.514 1.00 0.00 N flip ATOM 2186 CD2 HIS A 143 16.017 -11.430 10.324 1.00 0.00 C flip ATOM 2187 CE1 HIS A 143 18.033 -10.972 11.131 1.00 0.00 C flip ATOM 2188 NE2 HIS A 143 17.298 -11.829 10.416 1.00 0.00 N flip ATOM 0 H HIS A 143 12.628 -7.987 10.920 1.00 0.00 H new ATOM 0 HA HIS A 143 15.334 -7.793 10.044 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.527 -8.997 12.095 1.00 0.00 H new ATOM 0 HB3 HIS A 143 13.761 -10.202 11.079 1.00 0.00 H new ATOM 0 HD2 HIS A 143 15.224 -11.945 9.802 1.00 0.00 H new ATOM 0 HE1 HIS A 143 19.086 -11.045 11.362 1.00 0.00 H new ATOM 0 HE2 HIS A 143 17.664 -12.681 9.992 1.00 0.00 H new ATOM 2196 N LEU A 144 13.365 -9.672 8.207 1.00 0.00 N ATOM 2197 CA LEU A 144 13.313 -10.390 6.902 1.00 0.00 C ATOM 2198 C LEU A 144 13.693 -9.428 5.775 1.00 0.00 C ATOM 2199 O LEU A 144 14.457 -9.764 4.892 1.00 0.00 O ATOM 2200 CB LEU A 144 11.895 -10.918 6.667 1.00 0.00 C ATOM 2201 CG LEU A 144 11.574 -11.998 7.703 1.00 0.00 C ATOM 2202 CD1 LEU A 144 10.238 -12.656 7.356 1.00 0.00 C ATOM 2203 CD2 LEU A 144 12.680 -13.055 7.698 1.00 0.00 C ATOM 0 H LEU A 144 12.471 -9.587 8.691 1.00 0.00 H new ATOM 0 HA LEU A 144 14.014 -11.225 6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.175 -10.103 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.810 -11.328 5.661 1.00 0.00 H new ATOM 0 HG LEU A 144 11.510 -11.545 8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.009 -13.425 8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.450 -11.903 7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.302 -13.109 6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 144 12.452 -13.824 8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 144 12.745 -13.509 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 144 13.632 -12.586 7.946 1.00 0.00 H new ATOM 2215 N PHE A 145 13.169 -8.233 5.799 1.00 0.00 N ATOM 2216 CA PHE A 145 13.503 -7.252 4.729 1.00 0.00 C ATOM 2217 C PHE A 145 15.023 -7.120 4.615 1.00 0.00 C ATOM 2218 O PHE A 145 15.568 -7.014 3.535 1.00 0.00 O ATOM 2219 CB PHE A 145 12.899 -5.890 5.077 1.00 0.00 C ATOM 2220 CG PHE A 145 11.408 -5.927 4.841 1.00 0.00 C ATOM 2221 CD1 PHE A 145 10.898 -5.711 3.555 1.00 0.00 C ATOM 2222 CD2 PHE A 145 10.536 -6.176 5.906 1.00 0.00 C ATOM 2223 CE1 PHE A 145 9.516 -5.746 3.335 1.00 0.00 C ATOM 2224 CE2 PHE A 145 9.153 -6.210 5.687 1.00 0.00 C ATOM 2225 CZ PHE A 145 8.644 -5.995 4.401 1.00 0.00 C ATOM 0 H PHE A 145 12.524 -7.894 6.513 1.00 0.00 H new ATOM 0 HA PHE A 145 13.095 -7.598 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 145 13.107 -5.643 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.356 -5.111 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.571 -5.517 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 145 10.929 -6.342 6.898 1.00 0.00 H new ATOM 0 HE1 PHE A 145 9.123 -5.581 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 145 8.480 -6.402 6.510 1.00 0.00 H new ATOM 0 HZ PHE A 145 7.578 -6.021 4.231 1.00 0.00 H new ATOM 2235 N LYS A 146 15.711 -7.127 5.723 1.00 0.00 N ATOM 2236 CA LYS A 146 17.194 -7.003 5.679 1.00 0.00 C ATOM 2237 C LYS A 146 17.776 -8.126 4.818 1.00 0.00 C ATOM 2238 O LYS A 146 18.682 -7.917 4.036 1.00 0.00 O ATOM 2239 CB LYS A 146 17.757 -7.105 7.098 1.00 0.00 C ATOM 2240 CG LYS A 146 19.254 -6.796 7.076 1.00 0.00 C ATOM 2241 CD LYS A 146 19.825 -6.935 8.488 1.00 0.00 C ATOM 2242 CE LYS A 146 21.300 -6.531 8.484 1.00 0.00 C ATOM 2243 NZ LYS A 146 21.446 -5.175 9.084 1.00 0.00 N ATOM 0 H LYS A 146 15.310 -7.213 6.657 1.00 0.00 H new ATOM 0 HA LYS A 146 17.464 -6.039 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.240 -6.407 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.587 -8.105 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 146 19.767 -7.477 6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 146 19.422 -5.786 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 146 19.267 -6.306 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.719 -7.963 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 146 21.888 -7.255 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 146 21.686 -6.533 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 22.449 -4.900 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.897 -4.488 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.093 -5.188 10.062 1.00 0.00 H new ATOM 2257 N LEU A 147 17.259 -9.318 4.953 1.00 0.00 N ATOM 2258 CA LEU A 147 17.783 -10.452 4.140 1.00 0.00 C ATOM 2259 C LEU A 147 17.428 -10.227 2.669 1.00 0.00 C ATOM 2260 O LEU A 147 18.203 -10.520 1.781 1.00 0.00 O ATOM 2261 CB LEU A 147 17.153 -11.761 4.621 1.00 0.00 C ATOM 2262 CG LEU A 147 17.722 -12.136 5.991 1.00 0.00 C ATOM 2263 CD1 LEU A 147 19.250 -12.052 5.951 1.00 0.00 C ATOM 2264 CD2 LEU A 147 17.185 -11.170 7.049 1.00 0.00 C ATOM 0 H LEU A 147 16.498 -9.555 5.590 1.00 0.00 H new ATOM 0 HA LEU A 147 18.866 -10.509 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.070 -11.653 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.353 -12.557 3.904 1.00 0.00 H new ATOM 0 HG LEU A 147 17.421 -13.153 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 147 19.655 -12.319 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 147 19.633 -12.741 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 147 19.552 -11.035 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.590 -11.437 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.484 -10.152 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 147 16.097 -11.231 7.079 1.00 0.00 H new ATOM 2276 N ILE A 148 16.261 -9.705 2.404 1.00 0.00 N ATOM 2277 CA ILE A 148 15.858 -9.461 0.992 1.00 0.00 C ATOM 2278 C ILE A 148 16.927 -8.617 0.296 1.00 0.00 C ATOM 2279 O ILE A 148 17.325 -8.897 -0.818 1.00 0.00 O ATOM 2280 CB ILE A 148 14.522 -8.715 0.964 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.454 -9.554 1.671 1.00 0.00 C ATOM 2282 CG2 ILE A 148 14.102 -8.473 -0.487 1.00 0.00 C ATOM 2283 CD1 ILE A 148 12.157 -8.750 1.769 1.00 0.00 C ATOM 0 H ILE A 148 15.570 -9.437 3.105 1.00 0.00 H new ATOM 0 HA ILE A 148 15.753 -10.414 0.474 1.00 0.00 H new ATOM 0 HB ILE A 148 14.630 -7.758 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.280 -10.479 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 148 13.797 -9.834 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 148 13.150 -7.942 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 148 14.862 -7.875 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 148 13.994 -9.429 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 148 11.396 -9.347 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 148 12.337 -7.837 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 148 11.812 -8.492 0.768 1.00 0.00 H new ATOM 2295 N GLU A 149 17.397 -7.585 0.943 1.00 0.00 N ATOM 2296 CA GLU A 149 18.440 -6.726 0.316 1.00 0.00 C ATOM 2297 C GLU A 149 19.727 -7.537 0.143 1.00 0.00 C ATOM 2298 O GLU A 149 20.353 -7.511 -0.898 1.00 0.00 O ATOM 2299 CB GLU A 149 18.714 -5.518 1.214 1.00 0.00 C ATOM 2300 CG GLU A 149 19.645 -4.544 0.489 1.00 0.00 C ATOM 2301 CD GLU A 149 19.948 -3.353 1.400 1.00 0.00 C ATOM 2302 OE1 GLU A 149 19.441 -3.338 2.510 1.00 0.00 O ATOM 2303 OE2 GLU A 149 20.684 -2.478 0.974 1.00 0.00 O ATOM 0 H GLU A 149 17.104 -7.300 1.878 1.00 0.00 H new ATOM 0 HA GLU A 149 18.092 -6.381 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 149 17.778 -5.021 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 149 19.168 -5.843 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 149 20.571 -5.048 0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 149 19.180 -4.200 -0.435 1.00 0.00 H new ATOM 2310 N GLY A 150 20.125 -8.258 1.154 1.00 0.00 N ATOM 2311 CA GLY A 150 21.368 -9.070 1.046 1.00 0.00 C ATOM 2312 C GLY A 150 21.172 -10.163 -0.006 1.00 0.00 C ATOM 2313 O GLY A 150 22.061 -10.462 -0.778 1.00 0.00 O ATOM 0 H GLY A 150 19.643 -8.320 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 150 22.209 -8.433 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.608 -9.517 2.011 1.00 0.00 H new ATOM 2317 N TYR A 151 20.012 -10.761 -0.043 1.00 0.00 N ATOM 2318 CA TYR A 151 19.757 -11.833 -1.045 1.00 0.00 C ATOM 2319 C TYR A 151 19.988 -11.279 -2.452 1.00 0.00 C ATOM 2320 O TYR A 151 20.695 -11.862 -3.251 1.00 0.00 O ATOM 2321 CB TYR A 151 18.310 -12.316 -0.917 1.00 0.00 C ATOM 2322 CG TYR A 151 18.086 -13.487 -1.842 1.00 0.00 C ATOM 2323 CD1 TYR A 151 18.360 -14.788 -1.404 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.605 -13.273 -3.139 1.00 0.00 C ATOM 2325 CE1 TYR A 151 18.152 -15.875 -2.261 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.396 -14.360 -3.997 1.00 0.00 C ATOM 2327 CZ TYR A 151 17.669 -15.661 -3.558 1.00 0.00 C ATOM 2328 OH TYR A 151 17.464 -16.732 -4.403 1.00 0.00 O ATOM 0 H TYR A 151 19.230 -10.553 0.578 1.00 0.00 H new ATOM 0 HA TYR A 151 20.435 -12.667 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 151 18.103 -12.608 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 151 17.622 -11.507 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 151 18.732 -14.953 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 151 17.395 -12.269 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 151 18.364 -16.878 -1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 151 17.024 -14.195 -4.997 1.00 0.00 H new ATOM 0 HH TYR A 151 17.126 -16.409 -5.264 1.00 0.00 H new ATOM 2338 N LEU A 152 19.399 -10.157 -2.762 1.00 0.00 N ATOM 2339 CA LEU A 152 19.587 -9.566 -4.117 1.00 0.00 C ATOM 2340 C LEU A 152 21.063 -9.220 -4.322 1.00 0.00 C ATOM 2341 O LEU A 152 21.624 -9.446 -5.375 1.00 0.00 O ATOM 2342 CB LEU A 152 18.743 -8.295 -4.240 1.00 0.00 C ATOM 2343 CG LEU A 152 17.269 -8.639 -4.024 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.410 -7.408 -4.319 1.00 0.00 C ATOM 2345 CD2 LEU A 152 16.867 -9.778 -4.964 1.00 0.00 C ATOM 0 H LEU A 152 18.796 -9.624 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 152 19.274 -10.285 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 152 19.067 -7.558 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 152 18.882 -7.847 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 152 17.117 -8.950 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.359 -7.652 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 152 16.695 -6.596 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 152 16.563 -7.097 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 152 15.816 -10.023 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 152 17.019 -9.468 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 152 17.479 -10.656 -4.755 1.00 0.00 H new