USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=34 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 101 TYR OH : rot 46:sc= 0.662 USER MOD Set 1.2: A 119 SER OG : rot 138:sc= -0.178! USER MOD Set 1.3: A 121 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HE2:sc= -0.284 K(o=0.23,f=-4.7!) USER MOD Set 2.2: A 85 SER OG : rot -131:sc= 0.511 USER MOD Set 3.1: A 74 SER OG : rot -35:sc= 0.101 USER MOD Set 3.2: A 83 SER OG : rot -55:sc= 1.38 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -159:sc= 1.24 (180deg=-0.0769) USER MOD Set 4.2: A 151 TYR OH : rot 180:sc= 1.03 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 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -170:sc= -4.26! USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -1.22 (180deg=-2.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.55) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0108 USER MOD Single : A 53 THR OG1 : rot 64:sc= -2.92! USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= -0.165! (180deg=-1.66!) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc=-0.00639 (180deg=-0.252) 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= -7.29! C(o=-7.3!,f=-7.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0217 F(o=-0.96,f=-0.022) USER MOD Single : A 80 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.54) USER MOD Single : A 81 THR OG1 : rot 55:sc= 0.535 USER MOD Single : A 82 TYR OH : rot 165:sc= -3.97! USER MOD Single : A 84 TYR OH : rot 108:sc= 0.87 USER MOD Single : A 93 SER OG : rot 37:sc= 0.00755 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-1.5!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 115:sc=-0.00188 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -0.455 K(o=-0.46,f=-1.8!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.14) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -7.918 -0.846 18.105 1.00 0.00 N ATOM 9 CA VAL A 3 -6.576 -1.169 17.543 1.00 0.00 C ATOM 10 C VAL A 3 -6.122 -0.036 16.621 1.00 0.00 C ATOM 11 O VAL A 3 -6.900 0.514 15.867 1.00 0.00 O ATOM 12 CB VAL A 3 -6.654 -2.472 16.745 1.00 0.00 C ATOM 13 CG1 VAL A 3 -7.460 -2.239 15.466 1.00 0.00 C ATOM 14 CG2 VAL A 3 -5.241 -2.930 16.380 1.00 0.00 C ATOM 0 HA VAL A 3 -5.862 -1.284 18.358 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.141 -3.239 17.347 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.516 -3.167 14.897 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.467 -1.911 15.725 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.973 -1.473 14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.295 -3.858 15.811 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.754 -2.163 15.777 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.665 -3.095 17.291 1.00 0.00 H new ATOM 24 N TYR A 4 -4.867 0.317 16.674 1.00 0.00 N ATOM 25 CA TYR A 4 -4.364 1.412 15.799 1.00 0.00 C ATOM 26 C TYR A 4 -3.434 0.825 14.736 1.00 0.00 C ATOM 27 O TYR A 4 -2.865 -0.235 14.912 1.00 0.00 O ATOM 28 CB TYR A 4 -3.593 2.429 16.643 1.00 0.00 C ATOM 29 CG TYR A 4 -4.507 3.005 17.699 1.00 0.00 C ATOM 30 CD1 TYR A 4 -5.370 4.060 17.378 1.00 0.00 C ATOM 31 CD2 TYR A 4 -4.491 2.484 18.998 1.00 0.00 C ATOM 32 CE1 TYR A 4 -6.215 4.595 18.357 1.00 0.00 C ATOM 33 CE2 TYR A 4 -5.338 3.018 19.977 1.00 0.00 C ATOM 34 CZ TYR A 4 -6.199 4.074 19.657 1.00 0.00 C ATOM 35 OH TYR A 4 -7.034 4.600 20.622 1.00 0.00 O ATOM 0 H TYR A 4 -4.169 -0.106 17.286 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.207 1.907 15.316 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.734 1.950 17.113 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.206 3.226 16.008 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.384 4.461 16.375 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.825 1.670 19.245 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.880 5.410 18.110 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.327 2.615 20.979 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.898 4.124 21.468 1.00 0.00 H new ATOM 45 N THR A 5 -3.272 1.505 13.636 1.00 0.00 N ATOM 46 CA THR A 5 -2.376 0.986 12.564 1.00 0.00 C ATOM 47 C THR A 5 -0.976 1.576 12.742 1.00 0.00 C ATOM 48 O THR A 5 -0.819 2.723 13.115 1.00 0.00 O ATOM 49 CB THR A 5 -2.932 1.387 11.196 1.00 0.00 C ATOM 50 OG1 THR A 5 -4.314 1.063 11.135 1.00 0.00 O ATOM 51 CG2 THR A 5 -2.181 0.636 10.097 1.00 0.00 C ATOM 0 H THR A 5 -3.721 2.398 13.432 1.00 0.00 H new ATOM 0 HA THR A 5 -2.322 -0.101 12.628 1.00 0.00 H new ATOM 0 HB THR A 5 -2.803 2.460 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.672 1.321 10.260 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.578 0.923 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.121 0.886 10.144 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.307 -0.437 10.238 1.00 0.00 H new ATOM 59 N TYR A 6 0.043 0.805 12.481 1.00 0.00 N ATOM 60 CA TYR A 6 1.430 1.327 12.641 1.00 0.00 C ATOM 61 C TYR A 6 2.158 1.273 11.296 1.00 0.00 C ATOM 62 O TYR A 6 2.092 0.292 10.582 1.00 0.00 O ATOM 63 CB TYR A 6 2.181 0.469 13.662 1.00 0.00 C ATOM 64 CG TYR A 6 3.564 1.038 13.879 1.00 0.00 C ATOM 65 CD1 TYR A 6 3.760 2.072 14.803 1.00 0.00 C ATOM 66 CD2 TYR A 6 4.650 0.531 13.155 1.00 0.00 C ATOM 67 CE1 TYR A 6 5.042 2.598 15.003 1.00 0.00 C ATOM 68 CE2 TYR A 6 5.931 1.057 13.356 1.00 0.00 C ATOM 69 CZ TYR A 6 6.128 2.090 14.280 1.00 0.00 C ATOM 70 OH TYR A 6 7.391 2.608 14.478 1.00 0.00 O ATOM 0 H TYR A 6 -0.024 -0.162 12.164 1.00 0.00 H new ATOM 0 HA TYR A 6 1.391 2.359 12.989 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.634 0.445 14.605 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.251 -0.559 13.307 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.922 2.464 15.361 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.499 -0.266 12.442 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.193 3.396 15.715 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.769 0.666 12.798 1.00 0.00 H new ATOM 0 HH TYR A 6 8.030 2.143 13.898 1.00 0.00 H new ATOM 80 N GLU A 7 2.853 2.320 10.947 1.00 0.00 N ATOM 81 CA GLU A 7 3.588 2.330 9.650 1.00 0.00 C ATOM 82 C GLU A 7 5.093 2.281 9.922 1.00 0.00 C ATOM 83 O GLU A 7 5.605 2.994 10.762 1.00 0.00 O ATOM 84 CB GLU A 7 3.250 3.609 8.882 1.00 0.00 C ATOM 85 CG GLU A 7 3.952 3.589 7.522 1.00 0.00 C ATOM 86 CD GLU A 7 3.651 4.888 6.773 1.00 0.00 C ATOM 87 OE1 GLU A 7 3.006 5.747 7.352 1.00 0.00 O ATOM 88 OE2 GLU A 7 4.071 5.003 5.634 1.00 0.00 O ATOM 0 H GLU A 7 2.944 3.170 11.504 1.00 0.00 H new ATOM 0 HA GLU A 7 3.295 1.464 9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.172 3.689 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.565 4.483 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.028 3.476 7.658 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.613 2.733 6.938 1.00 0.00 H new ATOM 95 N ASN A 8 5.806 1.442 9.222 1.00 0.00 N ATOM 96 CA ASN A 8 7.276 1.346 9.447 1.00 0.00 C ATOM 97 C ASN A 8 8.019 1.944 8.250 1.00 0.00 C ATOM 98 O ASN A 8 7.730 1.639 7.110 1.00 0.00 O ATOM 99 CB ASN A 8 7.672 -0.123 9.610 1.00 0.00 C ATOM 100 CG ASN A 8 9.149 -0.213 9.994 1.00 0.00 C ATOM 101 OD1 ASN A 8 9.978 -0.584 9.185 1.00 0.00 O ATOM 102 ND2 ASN A 8 9.519 0.110 11.203 1.00 0.00 N ATOM 0 H ASN A 8 5.435 0.819 8.505 1.00 0.00 H new ATOM 0 HA ASN A 8 7.540 1.897 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.057 -0.594 10.377 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.493 -0.664 8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.502 0.051 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.825 0.421 11.883 1.00 0.00 H new ATOM 109 N GLU A 9 8.979 2.793 8.502 1.00 0.00 N ATOM 110 CA GLU A 9 9.745 3.409 7.382 1.00 0.00 C ATOM 111 C GLU A 9 11.150 2.806 7.338 1.00 0.00 C ATOM 112 O GLU A 9 11.888 2.856 8.302 1.00 0.00 O ATOM 113 CB GLU A 9 9.846 4.920 7.601 1.00 0.00 C ATOM 114 CG GLU A 9 8.440 5.524 7.644 1.00 0.00 C ATOM 115 CD GLU A 9 8.544 7.042 7.805 1.00 0.00 C ATOM 116 OE1 GLU A 9 9.641 7.520 8.042 1.00 0.00 O ATOM 117 OE2 GLU A 9 7.524 7.701 7.688 1.00 0.00 O ATOM 0 H GLU A 9 9.265 3.086 9.436 1.00 0.00 H new ATOM 0 HA GLU A 9 9.233 3.213 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.372 5.129 8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.425 5.377 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.899 5.280 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.874 5.097 8.472 1.00 0.00 H new ATOM 124 N PHE A 10 11.527 2.234 6.226 1.00 0.00 N ATOM 125 CA PHE A 10 12.885 1.628 6.127 1.00 0.00 C ATOM 126 C PHE A 10 13.453 1.867 4.727 1.00 0.00 C ATOM 127 O PHE A 10 12.732 1.893 3.750 1.00 0.00 O ATOM 128 CB PHE A 10 12.792 0.124 6.386 1.00 0.00 C ATOM 129 CG PHE A 10 14.138 -0.514 6.136 1.00 0.00 C ATOM 130 CD1 PHE A 10 15.124 -0.480 7.129 1.00 0.00 C ATOM 131 CD2 PHE A 10 14.400 -1.138 4.910 1.00 0.00 C ATOM 132 CE1 PHE A 10 16.373 -1.070 6.895 1.00 0.00 C ATOM 133 CE2 PHE A 10 15.649 -1.727 4.676 1.00 0.00 C ATOM 134 CZ PHE A 10 16.635 -1.694 5.669 1.00 0.00 C ATOM 0 H PHE A 10 10.955 2.161 5.385 1.00 0.00 H new ATOM 0 HA PHE A 10 13.540 2.087 6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.475 -0.060 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.040 -0.322 5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.922 0.001 8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.639 -1.165 4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.134 -1.044 7.661 1.00 0.00 H new ATOM 0 HE2 PHE A 10 15.851 -2.207 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 10 17.598 -2.150 5.490 1.00 0.00 H new ATOM 144 N THR A 11 14.742 2.038 4.623 1.00 0.00 N ATOM 145 CA THR A 11 15.360 2.270 3.287 1.00 0.00 C ATOM 146 C THR A 11 16.144 1.024 2.872 1.00 0.00 C ATOM 147 O THR A 11 16.769 0.373 3.687 1.00 0.00 O ATOM 148 CB THR A 11 16.306 3.471 3.363 1.00 0.00 C ATOM 149 OG1 THR A 11 17.495 3.090 4.041 1.00 0.00 O ATOM 150 CG2 THR A 11 15.627 4.613 4.121 1.00 0.00 C ATOM 0 H THR A 11 15.395 2.027 5.407 1.00 0.00 H new ATOM 0 HA THR A 11 14.581 2.472 2.552 1.00 0.00 H new ATOM 0 HB THR A 11 16.552 3.805 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.104 3.857 4.090 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.302 5.467 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.715 4.904 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.379 4.283 5.130 1.00 0.00 H new ATOM 158 N SER A 12 16.117 0.683 1.614 1.00 0.00 N ATOM 159 CA SER A 12 16.860 -0.525 1.155 1.00 0.00 C ATOM 160 C SER A 12 17.500 -0.249 -0.207 1.00 0.00 C ATOM 161 O SER A 12 17.089 0.639 -0.929 1.00 0.00 O ATOM 162 CB SER A 12 15.892 -1.703 1.033 1.00 0.00 C ATOM 163 OG SER A 12 16.623 -2.894 0.787 1.00 0.00 O ATOM 0 H SER A 12 15.614 1.187 0.884 1.00 0.00 H new ATOM 0 HA SER A 12 17.639 -0.766 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.309 -1.804 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.185 -1.524 0.223 1.00 0.00 H new ATOM 0 HG SER A 12 16.003 -3.616 0.553 1.00 0.00 H new ATOM 169 N ASP A 13 18.502 -1.004 -0.564 1.00 0.00 N ATOM 170 CA ASP A 13 19.167 -0.788 -1.879 1.00 0.00 C ATOM 171 C ASP A 13 18.244 -1.271 -2.999 1.00 0.00 C ATOM 172 O ASP A 13 17.124 -1.677 -2.760 1.00 0.00 O ATOM 173 CB ASP A 13 20.478 -1.576 -1.920 1.00 0.00 C ATOM 174 CG ASP A 13 21.532 -0.856 -1.077 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.293 0.284 -0.713 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.561 -1.456 -0.811 1.00 0.00 O ATOM 0 H ASP A 13 18.889 -1.762 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 13 19.377 0.273 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.320 -2.585 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.824 -1.673 -2.949 1.00 0.00 H new ATOM 181 N ILE A 14 18.700 -1.232 -4.221 1.00 0.00 N ATOM 182 CA ILE A 14 17.843 -1.690 -5.351 1.00 0.00 C ATOM 183 C ILE A 14 16.649 -0.742 -5.492 1.00 0.00 C ATOM 184 O ILE A 14 16.099 -0.276 -4.515 1.00 0.00 O ATOM 185 CB ILE A 14 17.339 -3.107 -5.064 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.481 -3.948 -4.489 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.841 -3.744 -6.362 1.00 0.00 C ATOM 188 CD1 ILE A 14 18.063 -4.513 -3.130 1.00 0.00 C ATOM 0 H ILE A 14 19.628 -0.903 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 14 18.421 -1.691 -6.275 1.00 0.00 H new ATOM 0 HB ILE A 14 16.522 -3.063 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.728 -4.760 -5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.378 -3.338 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.482 -4.753 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 14 16.028 -3.146 -6.772 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.658 -3.788 -7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.876 -5.112 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.837 -3.693 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.178 -5.137 -3.252 1.00 0.00 H new ATOM 200 N PRO A 15 16.243 -0.452 -6.738 1.00 0.00 N ATOM 201 CA PRO A 15 15.115 0.444 -7.009 1.00 0.00 C ATOM 202 C PRO A 15 13.774 -0.183 -6.608 1.00 0.00 C ATOM 203 O PRO A 15 13.581 -1.379 -6.692 1.00 0.00 O ATOM 204 CB PRO A 15 15.176 0.653 -8.523 1.00 0.00 C ATOM 205 CG PRO A 15 15.880 -0.553 -9.043 1.00 0.00 C ATOM 206 CD PRO A 15 16.852 -0.972 -7.976 1.00 0.00 C ATOM 0 HA PRO A 15 15.183 1.371 -6.439 1.00 0.00 H new ATOM 0 HB2 PRO A 15 14.178 0.744 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.715 1.566 -8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 15 15.172 -1.353 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.399 -0.328 -9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.970 -2.055 -7.942 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.842 -0.549 -8.145 1.00 0.00 H new ATOM 214 N ALA A 16 12.854 0.627 -6.162 1.00 0.00 N ATOM 215 CA ALA A 16 11.520 0.113 -5.735 1.00 0.00 C ATOM 216 C ALA A 16 11.013 -0.985 -6.682 1.00 0.00 C ATOM 217 O ALA A 16 10.596 -2.037 -6.241 1.00 0.00 O ATOM 218 CB ALA A 16 10.518 1.268 -5.726 1.00 0.00 C ATOM 0 H ALA A 16 12.971 1.636 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 16 11.621 -0.315 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.541 0.899 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.855 2.036 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.444 1.693 -6.727 1.00 0.00 H new ATOM 224 N PRO A 17 11.018 -0.736 -8.005 1.00 0.00 N ATOM 225 CA PRO A 17 10.524 -1.713 -8.992 1.00 0.00 C ATOM 226 C PRO A 17 11.352 -3.001 -9.028 1.00 0.00 C ATOM 227 O PRO A 17 10.814 -4.089 -8.967 1.00 0.00 O ATOM 228 CB PRO A 17 10.637 -0.963 -10.321 1.00 0.00 C ATOM 229 CG PRO A 17 11.689 0.061 -10.080 1.00 0.00 C ATOM 230 CD PRO A 17 11.506 0.496 -8.655 1.00 0.00 C ATOM 0 HA PRO A 17 9.513 -2.045 -8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.915 -1.634 -11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.689 -0.501 -10.599 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.684 -0.354 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.582 0.903 -10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.440 0.845 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.788 1.312 -8.569 1.00 0.00 H new ATOM 238 N LYS A 18 12.648 -2.902 -9.131 1.00 0.00 N ATOM 239 CA LYS A 18 13.478 -4.139 -9.174 1.00 0.00 C ATOM 240 C LYS A 18 13.257 -4.948 -7.893 1.00 0.00 C ATOM 241 O LYS A 18 13.290 -6.163 -7.902 1.00 0.00 O ATOM 242 CB LYS A 18 14.957 -3.767 -9.295 1.00 0.00 C ATOM 243 CG LYS A 18 15.218 -3.178 -10.683 1.00 0.00 C ATOM 244 CD LYS A 18 16.716 -2.924 -10.858 1.00 0.00 C ATOM 245 CE LYS A 18 16.961 -2.223 -12.197 1.00 0.00 C ATOM 246 NZ LYS A 18 15.844 -1.276 -12.472 1.00 0.00 N ATOM 0 H LYS A 18 13.166 -2.025 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 18 13.187 -4.737 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.226 -3.045 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.579 -4.648 -9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.862 -3.863 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.664 -2.247 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.090 -2.309 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.262 -3.867 -10.823 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.909 -1.686 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.034 -2.959 -12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.121 -0.623 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.000 -1.810 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.629 -0.733 -11.611 1.00 0.00 H new ATOM 260 N LEU A 19 13.033 -4.286 -6.791 1.00 0.00 N ATOM 261 CA LEU A 19 12.810 -5.021 -5.513 1.00 0.00 C ATOM 262 C LEU A 19 11.361 -5.508 -5.442 1.00 0.00 C ATOM 263 O LEU A 19 11.075 -6.558 -4.902 1.00 0.00 O ATOM 264 CB LEU A 19 13.092 -4.087 -4.334 1.00 0.00 C ATOM 265 CG LEU A 19 13.055 -4.889 -3.031 1.00 0.00 C ATOM 266 CD1 LEU A 19 14.010 -4.255 -2.017 1.00 0.00 C ATOM 267 CD2 LEU A 19 11.633 -4.882 -2.468 1.00 0.00 C ATOM 0 H LEU A 19 12.995 -3.269 -6.720 1.00 0.00 H new ATOM 0 HA LEU A 19 13.480 -5.879 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.066 -3.614 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.351 -3.288 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 19 13.362 -5.916 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.985 -4.825 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.023 -4.260 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.703 -3.228 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.606 -5.453 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.325 -3.855 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.953 -5.333 -3.191 1.00 0.00 H new ATOM 279 N PHE A 20 10.442 -4.750 -5.977 1.00 0.00 N ATOM 280 CA PHE A 20 9.011 -5.168 -5.933 1.00 0.00 C ATOM 281 C PHE A 20 8.818 -6.446 -6.752 1.00 0.00 C ATOM 282 O PHE A 20 7.981 -7.271 -6.443 1.00 0.00 O ATOM 283 CB PHE A 20 8.137 -4.055 -6.512 1.00 0.00 C ATOM 284 CG PHE A 20 6.687 -4.474 -6.449 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.922 -4.176 -5.315 1.00 0.00 C ATOM 286 CD2 PHE A 20 6.109 -5.159 -7.523 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.578 -4.565 -5.256 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.766 -5.548 -7.466 1.00 0.00 C ATOM 289 CZ PHE A 20 4.000 -5.252 -6.331 1.00 0.00 C ATOM 0 H PHE A 20 10.620 -3.860 -6.442 1.00 0.00 H new ATOM 0 HA PHE A 20 8.724 -5.358 -4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.285 -3.132 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.424 -3.851 -7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.368 -3.646 -4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.700 -5.388 -8.397 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.987 -4.335 -4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.320 -6.076 -8.296 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.964 -5.554 -6.285 1.00 0.00 H new ATOM 299 N LYS A 21 9.581 -6.618 -7.797 1.00 0.00 N ATOM 300 CA LYS A 21 9.431 -7.844 -8.632 1.00 0.00 C ATOM 301 C LYS A 21 9.905 -9.066 -7.844 1.00 0.00 C ATOM 302 O LYS A 21 9.251 -10.090 -7.814 1.00 0.00 O ATOM 303 CB LYS A 21 10.271 -7.702 -9.904 1.00 0.00 C ATOM 304 CG LYS A 21 10.017 -8.903 -10.818 1.00 0.00 C ATOM 305 CD LYS A 21 10.931 -8.817 -12.042 1.00 0.00 C ATOM 306 CE LYS A 21 10.603 -9.961 -13.005 1.00 0.00 C ATOM 307 NZ LYS A 21 11.756 -10.902 -13.069 1.00 0.00 N ATOM 0 H LYS A 21 10.300 -5.965 -8.108 1.00 0.00 H new ATOM 0 HA LYS A 21 8.382 -7.971 -8.899 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.015 -6.777 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.329 -7.642 -9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.203 -9.831 -10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.973 -8.920 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.798 -7.857 -12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.975 -8.874 -11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.709 -10.487 -12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.388 -9.565 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.534 -11.679 -13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.599 -10.396 -13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.941 -11.289 -12.122 1.00 0.00 H new ATOM 321 N ALA A 22 11.041 -8.971 -7.207 1.00 0.00 N ATOM 322 CA ALA A 22 11.556 -10.131 -6.427 1.00 0.00 C ATOM 323 C ALA A 22 10.876 -10.175 -5.056 1.00 0.00 C ATOM 324 O ALA A 22 10.831 -11.203 -4.409 1.00 0.00 O ATOM 325 CB ALA A 22 13.067 -9.989 -6.240 1.00 0.00 C ATOM 0 H ALA A 22 11.633 -8.141 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 22 11.339 -11.052 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.444 -10.838 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.553 -9.962 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.282 -9.066 -5.702 1.00 0.00 H new ATOM 331 N PHE A 23 10.352 -9.069 -4.604 1.00 0.00 N ATOM 332 CA PHE A 23 9.681 -9.053 -3.273 1.00 0.00 C ATOM 333 C PHE A 23 8.218 -9.471 -3.428 1.00 0.00 C ATOM 334 O PHE A 23 7.563 -9.833 -2.471 1.00 0.00 O ATOM 335 CB PHE A 23 9.747 -7.642 -2.688 1.00 0.00 C ATOM 336 CG PHE A 23 9.095 -7.630 -1.326 1.00 0.00 C ATOM 337 CD1 PHE A 23 9.854 -7.913 -0.184 1.00 0.00 C ATOM 338 CD2 PHE A 23 7.732 -7.336 -1.205 1.00 0.00 C ATOM 339 CE1 PHE A 23 9.250 -7.901 1.079 1.00 0.00 C ATOM 340 CE2 PHE A 23 7.127 -7.325 0.059 1.00 0.00 C ATOM 341 CZ PHE A 23 7.887 -7.607 1.200 1.00 0.00 C ATOM 0 H PHE A 23 10.359 -8.177 -5.098 1.00 0.00 H new ATOM 0 HA PHE A 23 10.187 -9.750 -2.605 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.785 -7.318 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.243 -6.938 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.906 -8.141 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.146 -7.118 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.836 -8.119 1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 23 6.075 -7.099 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.421 -7.598 2.174 1.00 0.00 H new ATOM 351 N VAL A 24 7.697 -9.421 -4.623 1.00 0.00 N ATOM 352 CA VAL A 24 6.276 -9.814 -4.830 1.00 0.00 C ATOM 353 C VAL A 24 6.210 -11.050 -5.728 1.00 0.00 C ATOM 354 O VAL A 24 5.568 -12.029 -5.405 1.00 0.00 O ATOM 355 CB VAL A 24 5.521 -8.660 -5.495 1.00 0.00 C ATOM 356 CG1 VAL A 24 4.062 -9.067 -5.716 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.574 -7.428 -4.589 1.00 0.00 C ATOM 0 H VAL A 24 8.194 -9.125 -5.464 1.00 0.00 H new ATOM 0 HA VAL A 24 5.820 -10.043 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 24 5.983 -8.427 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.523 -8.246 -6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.023 -9.946 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.600 -9.299 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.037 -6.606 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.110 -7.661 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.613 -7.138 -4.429 1.00 0.00 H new ATOM 367 N LEU A 25 6.865 -11.013 -6.855 1.00 0.00 N ATOM 368 CA LEU A 25 6.833 -12.188 -7.771 1.00 0.00 C ATOM 369 C LEU A 25 7.590 -13.354 -7.132 1.00 0.00 C ATOM 370 O LEU A 25 7.176 -14.494 -7.214 1.00 0.00 O ATOM 371 CB LEU A 25 7.493 -11.818 -9.101 1.00 0.00 C ATOM 372 CG LEU A 25 7.226 -12.922 -10.127 1.00 0.00 C ATOM 373 CD1 LEU A 25 5.722 -13.023 -10.391 1.00 0.00 C ATOM 374 CD2 LEU A 25 7.951 -12.589 -11.432 1.00 0.00 C ATOM 0 H LEU A 25 7.420 -10.222 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 25 5.798 -12.481 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.100 -10.868 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.566 -11.687 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 25 7.590 -13.873 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.533 -13.809 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.204 -13.259 -9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.356 -12.072 -10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.762 -13.374 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.586 -11.637 -11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.022 -12.518 -11.245 1.00 0.00 H new ATOM 386 N ASP A 26 8.697 -13.081 -6.497 1.00 0.00 N ATOM 387 CA ASP A 26 9.477 -14.178 -5.856 1.00 0.00 C ATOM 388 C ASP A 26 9.246 -14.155 -4.343 1.00 0.00 C ATOM 389 O ASP A 26 10.006 -14.718 -3.582 1.00 0.00 O ATOM 390 CB ASP A 26 10.967 -13.981 -6.148 1.00 0.00 C ATOM 391 CG ASP A 26 11.208 -14.081 -7.655 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.325 -14.558 -8.348 1.00 0.00 O ATOM 393 OD2 ASP A 26 12.275 -13.679 -8.092 1.00 0.00 O ATOM 0 H ASP A 26 9.095 -12.147 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 26 9.151 -15.138 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.295 -13.009 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.554 -14.735 -5.624 1.00 0.00 H new ATOM 398 N ALA A 27 8.200 -13.512 -3.901 1.00 0.00 N ATOM 399 CA ALA A 27 7.922 -13.456 -2.438 1.00 0.00 C ATOM 400 C ALA A 27 7.493 -14.841 -1.944 1.00 0.00 C ATOM 401 O ALA A 27 7.814 -15.245 -0.844 1.00 0.00 O ATOM 402 CB ALA A 27 6.801 -12.451 -2.170 1.00 0.00 C ATOM 0 H ALA A 27 7.526 -13.023 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 27 8.824 -13.146 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.597 -12.410 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.105 -11.465 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.900 -12.761 -2.699 1.00 0.00 H new ATOM 408 N ASP A 28 6.767 -15.569 -2.748 1.00 0.00 N ATOM 409 CA ASP A 28 6.313 -16.923 -2.324 1.00 0.00 C ATOM 410 C ASP A 28 7.518 -17.862 -2.216 1.00 0.00 C ATOM 411 O ASP A 28 7.543 -18.762 -1.401 1.00 0.00 O ATOM 412 CB ASP A 28 5.328 -17.476 -3.356 1.00 0.00 C ATOM 413 CG ASP A 28 4.023 -16.681 -3.291 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.855 -15.932 -2.343 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.212 -16.835 -4.190 1.00 0.00 O ATOM 0 H ASP A 28 6.469 -15.284 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 28 5.824 -16.851 -1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.757 -17.410 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.134 -18.531 -3.161 1.00 0.00 H new ATOM 420 N ASN A 29 8.515 -17.662 -3.033 1.00 0.00 N ATOM 421 CA ASN A 29 9.713 -18.548 -2.975 1.00 0.00 C ATOM 422 C ASN A 29 10.823 -17.856 -2.182 1.00 0.00 C ATOM 423 O ASN A 29 11.481 -18.461 -1.359 1.00 0.00 O ATOM 424 CB ASN A 29 10.203 -18.832 -4.396 1.00 0.00 C ATOM 425 CG ASN A 29 11.326 -19.870 -4.351 1.00 0.00 C ATOM 426 OD1 ASN A 29 12.483 -19.536 -4.509 1.00 0.00 O ATOM 427 ND2 ASN A 29 11.030 -21.123 -4.142 1.00 0.00 N ATOM 0 H ASN A 29 8.553 -16.925 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 29 9.449 -19.485 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.380 -19.198 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.562 -17.913 -4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.771 -21.824 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.058 -21.402 -4.009 1.00 0.00 H new ATOM 434 N LEU A 30 11.037 -16.592 -2.424 1.00 0.00 N ATOM 435 CA LEU A 30 12.106 -15.860 -1.687 1.00 0.00 C ATOM 436 C LEU A 30 11.877 -15.989 -0.180 1.00 0.00 C ATOM 437 O LEU A 30 12.802 -16.199 0.581 1.00 0.00 O ATOM 438 CB LEU A 30 12.072 -14.382 -2.083 1.00 0.00 C ATOM 439 CG LEU A 30 13.275 -13.661 -1.469 1.00 0.00 C ATOM 440 CD1 LEU A 30 14.546 -14.468 -1.738 1.00 0.00 C ATOM 441 CD2 LEU A 30 13.410 -12.272 -2.096 1.00 0.00 C ATOM 0 H LEU A 30 10.517 -16.034 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 30 13.077 -16.286 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.092 -14.285 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.145 -13.923 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 30 13.129 -13.562 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.402 -13.955 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.450 -15.458 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.693 -14.568 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.266 -11.758 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.556 -12.371 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.504 -11.697 -1.904 1.00 0.00 H new ATOM 453 N ILE A 31 10.656 -15.861 0.261 1.00 0.00 N ATOM 454 CA ILE A 31 10.375 -15.973 1.721 1.00 0.00 C ATOM 455 C ILE A 31 11.031 -17.245 2.273 1.00 0.00 C ATOM 456 O ILE A 31 11.899 -17.183 3.120 1.00 0.00 O ATOM 457 CB ILE A 31 8.857 -16.013 1.944 1.00 0.00 C ATOM 458 CG1 ILE A 31 8.295 -14.592 1.865 1.00 0.00 C ATOM 459 CG2 ILE A 31 8.545 -16.601 3.324 1.00 0.00 C ATOM 460 CD1 ILE A 31 6.821 -14.649 1.454 1.00 0.00 C ATOM 0 H ILE A 31 9.841 -15.684 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 31 10.787 -15.111 2.245 1.00 0.00 H new ATOM 0 HB ILE A 31 8.400 -16.637 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.396 -14.095 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.863 -14.004 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.466 -16.625 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.943 -17.614 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.004 -15.983 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.420 -13.637 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.733 -15.129 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.259 -15.221 2.192 1.00 0.00 H new ATOM 472 N PRO A 32 10.610 -18.421 1.779 1.00 0.00 N ATOM 473 CA PRO A 32 11.162 -19.709 2.226 1.00 0.00 C ATOM 474 C PRO A 32 12.616 -19.888 1.780 1.00 0.00 C ATOM 475 O PRO A 32 13.335 -20.723 2.294 1.00 0.00 O ATOM 476 CB PRO A 32 10.274 -20.739 1.528 1.00 0.00 C ATOM 477 CG PRO A 32 9.747 -20.024 0.331 1.00 0.00 C ATOM 478 CD PRO A 32 9.567 -18.594 0.753 1.00 0.00 C ATOM 0 HA PRO A 32 11.169 -19.797 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.841 -21.625 1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.466 -21.073 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.441 -20.100 -0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.802 -20.456 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.703 -17.906 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.570 -18.414 1.156 1.00 0.00 H new ATOM 486 N LYS A 33 13.054 -19.112 0.828 1.00 0.00 N ATOM 487 CA LYS A 33 14.460 -19.240 0.349 1.00 0.00 C ATOM 488 C LYS A 33 15.421 -18.797 1.453 1.00 0.00 C ATOM 489 O LYS A 33 16.411 -19.446 1.724 1.00 0.00 O ATOM 490 CB LYS A 33 14.659 -18.354 -0.884 1.00 0.00 C ATOM 491 CG LYS A 33 16.040 -18.620 -1.484 1.00 0.00 C ATOM 492 CD LYS A 33 16.021 -19.953 -2.232 1.00 0.00 C ATOM 493 CE LYS A 33 17.348 -20.141 -2.973 1.00 0.00 C ATOM 494 NZ LYS A 33 17.350 -19.303 -4.206 1.00 0.00 N ATOM 0 H LYS A 33 12.500 -18.395 0.361 1.00 0.00 H new ATOM 0 HA LYS A 33 14.661 -20.279 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.884 -18.560 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.566 -17.303 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.315 -17.813 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.793 -18.643 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.864 -20.773 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.191 -19.974 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.180 -19.860 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.486 -21.190 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.052 -19.675 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.407 -19.326 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.593 -18.322 -3.959 1.00 0.00 H new ATOM 508 N ILE A 34 15.140 -17.694 2.091 1.00 0.00 N ATOM 509 CA ILE A 34 16.039 -17.210 3.175 1.00 0.00 C ATOM 510 C ILE A 34 15.927 -18.134 4.389 1.00 0.00 C ATOM 511 O ILE A 34 16.890 -18.377 5.086 1.00 0.00 O ATOM 512 CB ILE A 34 15.634 -15.789 3.575 1.00 0.00 C ATOM 513 CG1 ILE A 34 15.757 -14.863 2.364 1.00 0.00 C ATOM 514 CG2 ILE A 34 16.553 -15.292 4.692 1.00 0.00 C ATOM 515 CD1 ILE A 34 15.271 -13.462 2.741 1.00 0.00 C ATOM 0 H ILE A 34 14.326 -17.107 1.908 1.00 0.00 H new ATOM 0 HA ILE A 34 17.069 -17.209 2.817 1.00 0.00 H new ATOM 0 HB ILE A 34 14.602 -15.791 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.793 -14.822 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.168 -15.253 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.265 -14.280 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 34 16.465 -15.951 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.585 -15.290 4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.359 -12.802 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 34 14.229 -13.511 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 34 15.879 -13.074 3.558 1.00 0.00 H new ATOM 527 N ALA A 35 14.758 -18.653 4.647 1.00 0.00 N ATOM 528 CA ALA A 35 14.589 -19.560 5.818 1.00 0.00 C ATOM 529 C ALA A 35 13.733 -20.763 5.415 1.00 0.00 C ATOM 530 O ALA A 35 12.593 -20.886 5.818 1.00 0.00 O ATOM 531 CB ALA A 35 13.899 -18.802 6.954 1.00 0.00 C ATOM 0 H ALA A 35 13.914 -18.489 4.099 1.00 0.00 H new ATOM 0 HA ALA A 35 15.567 -19.906 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.775 -19.464 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.508 -17.946 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.921 -18.455 6.619 1.00 0.00 H new ATOM 537 N PRO A 36 14.301 -21.668 4.606 1.00 0.00 N ATOM 538 CA PRO A 36 13.595 -22.871 4.144 1.00 0.00 C ATOM 539 C PRO A 36 13.389 -23.878 5.279 1.00 0.00 C ATOM 540 O PRO A 36 12.423 -24.615 5.302 1.00 0.00 O ATOM 541 CB PRO A 36 14.536 -23.456 3.092 1.00 0.00 C ATOM 542 CG PRO A 36 15.887 -22.950 3.472 1.00 0.00 C ATOM 543 CD PRO A 36 15.673 -21.591 4.077 1.00 0.00 C ATOM 0 HA PRO A 36 12.599 -22.641 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.506 -24.546 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.259 -23.132 2.089 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.368 -23.621 4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.539 -22.890 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.397 -21.383 4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.774 -20.800 3.334 1.00 0.00 H new ATOM 551 N GLN A 37 14.291 -23.914 6.222 1.00 0.00 N ATOM 552 CA GLN A 37 14.148 -24.872 7.354 1.00 0.00 C ATOM 553 C GLN A 37 13.068 -24.369 8.313 1.00 0.00 C ATOM 554 O GLN A 37 12.396 -25.143 8.967 1.00 0.00 O ATOM 555 CB GLN A 37 15.480 -24.980 8.101 1.00 0.00 C ATOM 556 CG GLN A 37 16.550 -25.537 7.158 1.00 0.00 C ATOM 557 CD GLN A 37 16.157 -26.948 6.718 1.00 0.00 C ATOM 558 OE1 GLN A 37 15.766 -27.764 7.530 1.00 0.00 O ATOM 559 NE2 GLN A 37 16.246 -27.274 5.458 1.00 0.00 N ATOM 0 H GLN A 37 15.120 -23.321 6.257 1.00 0.00 H new ATOM 0 HA GLN A 37 13.866 -25.851 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.781 -24.001 8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.371 -25.630 8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.656 -24.889 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.517 -25.557 7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.574 -26.590 4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.988 -28.213 5.155 1.00 0.00 H new ATOM 568 N ALA A 38 12.896 -23.079 8.405 1.00 0.00 N ATOM 569 CA ALA A 38 11.860 -22.529 9.323 1.00 0.00 C ATOM 570 C ALA A 38 10.472 -22.979 8.859 1.00 0.00 C ATOM 571 O ALA A 38 9.632 -23.350 9.654 1.00 0.00 O ATOM 572 CB ALA A 38 11.930 -21.001 9.315 1.00 0.00 C ATOM 0 H ALA A 38 13.428 -22.382 7.884 1.00 0.00 H new ATOM 0 HA ALA A 38 12.041 -22.896 10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.172 -20.599 9.987 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.917 -20.680 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.751 -20.634 8.304 1.00 0.00 H new ATOM 578 N VAL A 39 10.225 -22.948 7.577 1.00 0.00 N ATOM 579 CA VAL A 39 8.892 -23.374 7.066 1.00 0.00 C ATOM 580 C VAL A 39 9.068 -24.536 6.086 1.00 0.00 C ATOM 581 O VAL A 39 10.076 -24.648 5.416 1.00 0.00 O ATOM 582 CB VAL A 39 8.223 -22.201 6.348 1.00 0.00 C ATOM 583 CG1 VAL A 39 9.175 -21.639 5.290 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.936 -22.681 5.674 1.00 0.00 C ATOM 0 H VAL A 39 10.888 -22.646 6.863 1.00 0.00 H new ATOM 0 HA VAL A 39 8.269 -23.694 7.901 1.00 0.00 H new ATOM 0 HB VAL A 39 7.984 -21.422 7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.698 -20.803 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.091 -21.295 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.415 -22.418 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.459 -21.845 5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.173 -23.461 4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.257 -23.079 6.428 1.00 0.00 H new ATOM 594 N LYS A 40 8.096 -25.401 5.996 1.00 0.00 N ATOM 595 CA LYS A 40 8.207 -26.555 5.060 1.00 0.00 C ATOM 596 C LYS A 40 8.000 -26.070 3.624 1.00 0.00 C ATOM 597 O LYS A 40 8.757 -26.400 2.732 1.00 0.00 O ATOM 598 CB LYS A 40 7.139 -27.596 5.405 1.00 0.00 C ATOM 599 CG LYS A 40 7.344 -28.843 4.542 1.00 0.00 C ATOM 600 CD LYS A 40 6.267 -29.879 4.874 1.00 0.00 C ATOM 601 CE LYS A 40 6.546 -31.170 4.102 1.00 0.00 C ATOM 602 NZ LYS A 40 5.938 -32.325 4.825 1.00 0.00 N ATOM 0 H LYS A 40 7.229 -25.359 6.531 1.00 0.00 H new ATOM 0 HA LYS A 40 9.196 -27.004 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.199 -27.858 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.145 -27.183 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.296 -28.579 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.334 -29.263 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.257 -30.078 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.282 -29.492 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.134 -31.100 3.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.621 -31.318 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.128 -33.202 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.351 -32.395 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.911 -32.184 4.903 1.00 0.00 H new ATOM 616 N CYS A 41 6.981 -25.288 3.391 1.00 0.00 N ATOM 617 CA CYS A 41 6.730 -24.786 2.011 1.00 0.00 C ATOM 618 C CYS A 41 5.463 -23.927 2.001 1.00 0.00 C ATOM 619 O CYS A 41 4.424 -24.332 2.485 1.00 0.00 O ATOM 620 CB CYS A 41 6.547 -25.973 1.064 1.00 0.00 C ATOM 621 SG CYS A 41 7.793 -25.899 -0.245 1.00 0.00 S ATOM 0 H CYS A 41 6.313 -24.976 4.096 1.00 0.00 H new ATOM 0 HA CYS A 41 7.578 -24.185 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.639 -26.909 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.547 -25.955 0.630 1.00 0.00 H new ATOM 0 HG CYS A 41 7.639 -26.909 -1.049 1.00 0.00 H new ATOM 627 N ALA A 42 5.540 -22.746 1.452 1.00 0.00 N ATOM 628 CA ALA A 42 4.339 -21.865 1.410 1.00 0.00 C ATOM 629 C ALA A 42 3.575 -22.110 0.107 1.00 0.00 C ATOM 630 O ALA A 42 4.125 -22.025 -0.973 1.00 0.00 O ATOM 631 CB ALA A 42 4.776 -20.400 1.477 1.00 0.00 C ATOM 0 H ALA A 42 6.382 -22.353 1.031 1.00 0.00 H new ATOM 0 HA ALA A 42 3.694 -22.089 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.897 -19.756 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.322 -20.225 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.421 -20.174 0.628 1.00 0.00 H new ATOM 637 N GLU A 43 2.309 -22.416 0.200 1.00 0.00 N ATOM 638 CA GLU A 43 1.512 -22.668 -1.033 1.00 0.00 C ATOM 639 C GLU A 43 0.307 -21.725 -1.065 1.00 0.00 C ATOM 640 O GLU A 43 -0.149 -21.250 -0.042 1.00 0.00 O ATOM 641 CB GLU A 43 1.024 -24.118 -1.039 1.00 0.00 C ATOM 642 CG GLU A 43 2.226 -25.060 -0.954 1.00 0.00 C ATOM 643 CD GLU A 43 1.740 -26.511 -0.996 1.00 0.00 C ATOM 644 OE1 GLU A 43 0.541 -26.716 -0.897 1.00 0.00 O ATOM 645 OE2 GLU A 43 2.574 -27.391 -1.126 1.00 0.00 O ATOM 0 H GLU A 43 1.793 -22.502 1.076 1.00 0.00 H new ATOM 0 HA GLU A 43 2.136 -22.491 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.353 -24.291 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.455 -24.318 -1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.910 -24.870 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.781 -24.877 -0.034 1.00 0.00 H new ATOM 652 N ILE A 44 -0.212 -21.450 -2.230 1.00 0.00 N ATOM 653 CA ILE A 44 -1.387 -20.539 -2.327 1.00 0.00 C ATOM 654 C ILE A 44 -2.643 -21.359 -2.633 1.00 0.00 C ATOM 655 O ILE A 44 -2.721 -22.042 -3.635 1.00 0.00 O ATOM 656 CB ILE A 44 -1.155 -19.523 -3.449 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.184 -18.816 -3.229 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.283 -18.490 -3.442 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.449 -17.855 -4.389 1.00 0.00 C ATOM 0 H ILE A 44 0.127 -21.817 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.517 -20.012 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.140 -20.039 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.168 -18.269 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.988 -19.549 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.119 -17.766 -4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.238 -18.992 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.298 -17.974 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.403 -17.351 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.483 -18.414 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.349 -17.114 -4.438 1.00 0.00 H new ATOM 671 N LEU A 45 -3.626 -21.298 -1.777 1.00 0.00 N ATOM 672 CA LEU A 45 -4.873 -22.075 -2.020 1.00 0.00 C ATOM 673 C LEU A 45 -5.579 -21.530 -3.262 1.00 0.00 C ATOM 674 O LEU A 45 -6.043 -22.275 -4.103 1.00 0.00 O ATOM 675 CB LEU A 45 -5.799 -21.945 -0.810 1.00 0.00 C ATOM 676 CG LEU A 45 -6.994 -22.886 -0.978 1.00 0.00 C ATOM 677 CD1 LEU A 45 -6.537 -24.331 -0.770 1.00 0.00 C ATOM 678 CD2 LEU A 45 -8.068 -22.536 0.054 1.00 0.00 C ATOM 0 H LEU A 45 -3.619 -20.744 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.622 -23.124 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.257 -22.188 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.144 -20.916 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.406 -22.776 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.387 -25.002 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.772 -24.580 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.126 -24.442 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.919 -23.206 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.658 -22.646 1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.393 -21.506 -0.094 1.00 0.00 H new ATOM 690 N GLU A 46 -5.665 -20.234 -3.387 1.00 0.00 N ATOM 691 CA GLU A 46 -6.341 -19.644 -4.576 1.00 0.00 C ATOM 692 C GLU A 46 -5.868 -18.201 -4.768 1.00 0.00 C ATOM 693 O GLU A 46 -5.444 -17.549 -3.834 1.00 0.00 O ATOM 694 CB GLU A 46 -7.857 -19.659 -4.362 1.00 0.00 C ATOM 695 CG GLU A 46 -8.334 -21.102 -4.190 1.00 0.00 C ATOM 696 CD GLU A 46 -9.863 -21.132 -4.148 1.00 0.00 C ATOM 697 OE1 GLU A 46 -10.455 -20.069 -4.060 1.00 0.00 O ATOM 698 OE2 GLU A 46 -10.416 -22.219 -4.205 1.00 0.00 O ATOM 0 H GLU A 46 -5.296 -19.559 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.093 -20.229 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.116 -19.072 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.360 -19.198 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.970 -21.717 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.926 -21.524 -3.272 1.00 0.00 H new ATOM 705 N GLY A 47 -5.935 -17.700 -5.970 1.00 0.00 N ATOM 706 CA GLY A 47 -5.489 -16.301 -6.219 1.00 0.00 C ATOM 707 C GLY A 47 -4.153 -16.317 -6.968 1.00 0.00 C ATOM 708 O GLY A 47 -3.940 -15.557 -7.891 1.00 0.00 O ATOM 0 H GLY A 47 -6.279 -18.199 -6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.239 -15.767 -6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.382 -15.768 -5.274 1.00 0.00 H new ATOM 712 N ASP A 48 -3.254 -17.178 -6.576 1.00 0.00 N ATOM 713 CA ASP A 48 -1.934 -17.243 -7.266 1.00 0.00 C ATOM 714 C ASP A 48 -1.227 -15.892 -7.147 1.00 0.00 C ATOM 715 O ASP A 48 -0.607 -15.420 -8.080 1.00 0.00 O ATOM 716 CB ASP A 48 -2.145 -17.579 -8.743 1.00 0.00 C ATOM 717 CG ASP A 48 -2.689 -19.003 -8.870 1.00 0.00 C ATOM 718 OD1 ASP A 48 -2.677 -19.712 -7.876 1.00 0.00 O ATOM 719 OD2 ASP A 48 -3.108 -19.362 -9.958 1.00 0.00 O ATOM 0 H ASP A 48 -3.376 -17.839 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.321 -18.016 -6.802 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.842 -16.871 -9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.204 -17.488 -9.286 1.00 0.00 H new ATOM 724 N GLY A 49 -1.312 -15.264 -6.006 1.00 0.00 N ATOM 725 CA GLY A 49 -0.642 -13.945 -5.830 1.00 0.00 C ATOM 726 C GLY A 49 -1.540 -12.836 -6.384 1.00 0.00 C ATOM 727 O GLY A 49 -1.068 -11.847 -6.908 1.00 0.00 O ATOM 0 H GLY A 49 -1.816 -15.607 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.437 -13.768 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.318 -13.941 -6.346 1.00 0.00 H new ATOM 731 N GLY A 50 -2.831 -12.991 -6.270 1.00 0.00 N ATOM 732 CA GLY A 50 -3.756 -11.945 -6.790 1.00 0.00 C ATOM 733 C GLY A 50 -4.632 -11.427 -5.648 1.00 0.00 C ATOM 734 O GLY A 50 -4.387 -11.705 -4.490 1.00 0.00 O ATOM 0 H GLY A 50 -3.285 -13.797 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.186 -11.125 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.380 -12.357 -7.583 1.00 0.00 H new ATOM 738 N PRO A 51 -5.678 -10.657 -5.985 1.00 0.00 N ATOM 739 CA PRO A 51 -6.601 -10.094 -4.992 1.00 0.00 C ATOM 740 C PRO A 51 -7.466 -11.179 -4.343 1.00 0.00 C ATOM 741 O PRO A 51 -8.068 -11.992 -5.017 1.00 0.00 O ATOM 742 CB PRO A 51 -7.477 -9.149 -5.814 1.00 0.00 C ATOM 743 CG PRO A 51 -7.417 -9.692 -7.201 1.00 0.00 C ATOM 744 CD PRO A 51 -6.042 -10.278 -7.361 1.00 0.00 C ATOM 0 HA PRO A 51 -6.074 -9.604 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.500 -9.131 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.104 -8.126 -5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.184 -10.451 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.593 -8.906 -7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.046 -11.140 -8.029 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.342 -9.555 -7.779 1.00 0.00 H new ATOM 752 N GLY A 52 -7.530 -11.199 -3.041 1.00 0.00 N ATOM 753 CA GLY A 52 -8.353 -12.234 -2.352 1.00 0.00 C ATOM 754 C GLY A 52 -7.650 -13.588 -2.451 1.00 0.00 C ATOM 755 O GLY A 52 -8.275 -14.629 -2.401 1.00 0.00 O ATOM 0 H GLY A 52 -7.049 -10.545 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.498 -11.963 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.342 -12.291 -2.807 1.00 0.00 H new ATOM 759 N THR A 53 -6.352 -13.584 -2.591 1.00 0.00 N ATOM 760 CA THR A 53 -5.608 -14.871 -2.693 1.00 0.00 C ATOM 761 C THR A 53 -5.434 -15.472 -1.297 1.00 0.00 C ATOM 762 O THR A 53 -5.227 -14.767 -0.329 1.00 0.00 O ATOM 763 CB THR A 53 -4.232 -14.617 -3.313 1.00 0.00 C ATOM 764 OG1 THR A 53 -4.394 -14.050 -4.605 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.469 -15.937 -3.425 1.00 0.00 C ATOM 0 H THR A 53 -5.775 -12.744 -2.639 1.00 0.00 H new ATOM 0 HA THR A 53 -6.167 -15.565 -3.320 1.00 0.00 H new ATOM 0 HB THR A 53 -3.670 -13.928 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.826 -13.174 -4.526 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.489 -15.755 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.345 -16.371 -2.433 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.028 -16.628 -4.056 1.00 0.00 H new ATOM 773 N ILE A 54 -5.513 -16.770 -1.186 1.00 0.00 N ATOM 774 CA ILE A 54 -5.350 -17.414 0.148 1.00 0.00 C ATOM 775 C ILE A 54 -4.055 -18.227 0.163 1.00 0.00 C ATOM 776 O ILE A 54 -3.781 -18.992 -0.741 1.00 0.00 O ATOM 777 CB ILE A 54 -6.539 -18.337 0.417 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.840 -17.540 0.315 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.414 -18.931 1.822 1.00 0.00 C ATOM 780 CD1 ILE A 54 -9.033 -18.487 0.457 1.00 0.00 C ATOM 0 H ILE A 54 -5.683 -17.412 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.306 -16.647 0.922 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.548 -19.140 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.873 -16.777 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.886 -17.021 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.261 -19.589 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.488 -19.501 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.404 -18.127 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.960 -17.918 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.002 -19.233 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.988 -18.986 1.425 1.00 0.00 H new ATOM 792 N LYS A 55 -3.256 -18.068 1.182 1.00 0.00 N ATOM 793 CA LYS A 55 -1.979 -18.833 1.252 1.00 0.00 C ATOM 794 C LYS A 55 -1.933 -19.638 2.552 1.00 0.00 C ATOM 795 O LYS A 55 -2.506 -19.254 3.552 1.00 0.00 O ATOM 796 CB LYS A 55 -0.799 -17.858 1.213 1.00 0.00 C ATOM 797 CG LYS A 55 -0.895 -16.994 -0.046 1.00 0.00 C ATOM 798 CD LYS A 55 0.353 -16.117 -0.158 1.00 0.00 C ATOM 799 CE LYS A 55 0.232 -15.215 -1.390 1.00 0.00 C ATOM 800 NZ LYS A 55 1.573 -15.052 -2.018 1.00 0.00 N ATOM 0 H LYS A 55 -3.432 -17.442 1.968 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.918 -19.514 0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.805 -17.227 2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.142 -18.408 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.988 -17.627 -0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.788 -16.371 -0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.467 -15.511 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.243 -16.741 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.466 -15.650 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.169 -14.242 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.480 -15.097 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.974 -14.132 -1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.203 -15.813 -1.694 1.00 0.00 H new ATOM 814 N LYS A 56 -1.253 -20.752 2.546 1.00 0.00 N ATOM 815 CA LYS A 56 -1.168 -21.581 3.781 1.00 0.00 C ATOM 816 C LYS A 56 0.289 -21.976 4.027 1.00 0.00 C ATOM 817 O LYS A 56 0.928 -22.579 3.188 1.00 0.00 O ATOM 818 CB LYS A 56 -2.017 -22.842 3.608 1.00 0.00 C ATOM 819 CG LYS A 56 -2.003 -23.650 4.907 1.00 0.00 C ATOM 820 CD LYS A 56 -2.886 -24.888 4.747 1.00 0.00 C ATOM 821 CE LYS A 56 -2.226 -25.863 3.772 1.00 0.00 C ATOM 822 NZ LYS A 56 -1.058 -26.512 4.433 1.00 0.00 N ATOM 0 H LYS A 56 -0.753 -21.124 1.739 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.539 -21.008 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.040 -22.571 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.628 -23.445 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.983 -23.947 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.364 -23.037 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.035 -25.369 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.871 -24.600 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.944 -26.619 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.903 -25.334 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.797 -27.372 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.253 -25.854 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.308 -26.763 5.411 1.00 0.00 H new ATOM 836 N ILE A 57 0.821 -21.641 5.171 1.00 0.00 N ATOM 837 CA ILE A 57 2.237 -21.996 5.466 1.00 0.00 C ATOM 838 C ILE A 57 2.284 -23.020 6.601 1.00 0.00 C ATOM 839 O ILE A 57 1.537 -22.939 7.556 1.00 0.00 O ATOM 840 CB ILE A 57 3.002 -20.739 5.884 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.833 -19.659 4.815 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.487 -21.073 6.042 1.00 0.00 C ATOM 843 CD1 ILE A 57 3.187 -18.293 5.409 1.00 0.00 C ATOM 0 H ILE A 57 0.336 -21.137 5.913 1.00 0.00 H new ATOM 0 HA ILE A 57 2.695 -22.422 4.574 1.00 0.00 H new ATOM 0 HB ILE A 57 2.609 -20.375 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.476 -19.874 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.807 -19.653 4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.032 -20.177 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.608 -21.842 6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.881 -21.438 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.067 -17.523 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.526 -18.079 6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.221 -18.303 5.754 1.00 0.00 H new ATOM 855 N THR A 58 3.161 -23.981 6.507 1.00 0.00 N ATOM 856 CA THR A 58 3.261 -25.007 7.582 1.00 0.00 C ATOM 857 C THR A 58 4.672 -24.987 8.172 1.00 0.00 C ATOM 858 O THR A 58 5.654 -25.055 7.459 1.00 0.00 O ATOM 859 CB THR A 58 2.974 -26.392 6.996 1.00 0.00 C ATOM 860 OG1 THR A 58 1.693 -26.386 6.380 1.00 0.00 O ATOM 861 CG2 THR A 58 3.000 -27.436 8.113 1.00 0.00 C ATOM 0 H THR A 58 3.813 -24.100 5.732 1.00 0.00 H new ATOM 0 HA THR A 58 2.534 -24.786 8.364 1.00 0.00 H new ATOM 0 HB THR A 58 3.734 -26.639 6.255 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.507 -27.271 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.796 -28.422 7.695 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.982 -27.439 8.585 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.241 -27.193 8.856 1.00 0.00 H new ATOM 869 N PHE A 59 4.783 -24.890 9.469 1.00 0.00 N ATOM 870 CA PHE A 59 6.131 -24.864 10.100 1.00 0.00 C ATOM 871 C PHE A 59 6.426 -26.224 10.735 1.00 0.00 C ATOM 872 O PHE A 59 5.583 -26.814 11.382 1.00 0.00 O ATOM 873 CB PHE A 59 6.169 -23.778 11.177 1.00 0.00 C ATOM 874 CG PHE A 59 5.891 -22.435 10.545 1.00 0.00 C ATOM 875 CD1 PHE A 59 6.945 -21.671 10.031 1.00 0.00 C ATOM 876 CD2 PHE A 59 4.578 -21.954 10.473 1.00 0.00 C ATOM 877 CE1 PHE A 59 6.688 -20.425 9.445 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.321 -20.708 9.887 1.00 0.00 C ATOM 879 CZ PHE A 59 5.375 -19.945 9.373 1.00 0.00 C ATOM 0 H PHE A 59 3.998 -24.828 10.118 1.00 0.00 H new ATOM 0 HA PHE A 59 6.883 -24.649 9.340 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.429 -23.989 11.949 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.144 -23.768 11.665 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.958 -22.043 10.086 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.764 -22.543 10.869 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.502 -19.835 9.049 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.309 -20.336 9.832 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.176 -18.985 8.920 1.00 0.00 H new ATOM 974 N TYR A 67 0.662 -23.482 11.879 1.00 0.00 N ATOM 975 CA TYR A 67 0.612 -23.051 10.454 1.00 0.00 C ATOM 976 C TYR A 67 -0.060 -21.679 10.361 1.00 0.00 C ATOM 977 O TYR A 67 -0.976 -21.373 11.099 1.00 0.00 O ATOM 978 CB TYR A 67 -0.190 -24.069 9.641 1.00 0.00 C ATOM 979 CG TYR A 67 -1.653 -23.964 9.997 1.00 0.00 C ATOM 980 CD1 TYR A 67 -2.160 -24.670 11.093 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.504 -23.158 9.230 1.00 0.00 C ATOM 982 CE1 TYR A 67 -3.517 -24.572 11.423 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.860 -23.058 9.560 1.00 0.00 C ATOM 984 CZ TYR A 67 -4.366 -23.766 10.656 1.00 0.00 C ATOM 985 OH TYR A 67 -5.704 -23.668 10.982 1.00 0.00 O ATOM 0 HA TYR A 67 1.625 -22.987 10.057 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.051 -23.888 8.575 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.172 -25.077 9.843 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.504 -25.291 11.685 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.113 -22.613 8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.908 -25.118 12.269 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.516 -22.435 8.970 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.152 -23.068 10.350 1.00 0.00 H new ATOM 995 N VAL A 68 0.389 -20.850 9.459 1.00 0.00 N ATOM 996 CA VAL A 68 -0.222 -19.499 9.318 1.00 0.00 C ATOM 997 C VAL A 68 -0.683 -19.296 7.874 1.00 0.00 C ATOM 998 O VAL A 68 -0.051 -19.749 6.940 1.00 0.00 O ATOM 999 CB VAL A 68 0.814 -18.431 9.677 1.00 0.00 C ATOM 1000 CG1 VAL A 68 0.155 -17.050 9.645 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.362 -18.702 11.080 1.00 0.00 C ATOM 0 H VAL A 68 1.153 -21.050 8.813 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.078 -19.416 9.988 1.00 0.00 H new ATOM 0 HB VAL A 68 1.631 -18.461 8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.892 -16.289 9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.235 -16.856 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.662 -17.020 10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.100 -17.941 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.546 -18.673 11.801 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.832 -19.685 11.104 1.00 0.00 H new ATOM 1011 N LYS A 69 -1.781 -18.619 7.682 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.282 -18.389 6.299 1.00 0.00 C ATOM 1013 C LYS A 69 -2.191 -16.898 5.967 1.00 0.00 C ATOM 1014 O LYS A 69 -2.334 -16.052 6.827 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.740 -18.845 6.200 1.00 0.00 C ATOM 1016 CG LYS A 69 -3.832 -20.334 6.539 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.239 -20.842 6.225 1.00 0.00 C ATOM 1018 CE LYS A 69 -6.242 -20.188 7.178 1.00 0.00 C ATOM 1019 NZ LYS A 69 -7.629 -20.523 6.748 1.00 0.00 N ATOM 0 H LYS A 69 -2.353 -18.215 8.424 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.676 -18.958 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.361 -18.266 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.121 -18.666 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.095 -20.895 5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.603 -20.493 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.499 -20.611 5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.277 -21.926 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.072 -20.536 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.103 -19.107 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.310 -20.078 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.788 -20.170 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.758 -21.555 6.765 1.00 0.00 H new ATOM 1033 N HIS A 70 -1.951 -16.569 4.727 1.00 0.00 N ATOM 1034 CA HIS A 70 -1.849 -15.133 4.345 1.00 0.00 C ATOM 1035 C HIS A 70 -2.869 -14.821 3.248 1.00 0.00 C ATOM 1036 O HIS A 70 -3.041 -15.578 2.313 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.439 -14.842 3.826 1.00 0.00 C ATOM 1038 CG HIS A 70 0.559 -15.071 4.929 1.00 0.00 C ATOM 1039 ND1 HIS A 70 0.920 -14.071 5.817 1.00 0.00 N ATOM 1040 CD2 HIS A 70 1.277 -16.180 5.298 1.00 0.00 C ATOM 1041 CE1 HIS A 70 1.821 -14.594 6.669 1.00 0.00 C ATOM 1042 NE2 HIS A 70 2.075 -15.876 6.398 1.00 0.00 N ATOM 0 H HIS A 70 -1.821 -17.232 3.963 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.052 -14.511 5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.212 -15.486 2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.376 -13.813 3.471 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.568 -13.114 5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.231 -17.142 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.283 -14.043 7.475 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.546 -13.711 3.353 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.553 -13.348 2.316 1.00 0.00 C ATOM 1052 C LYS A 71 -4.127 -12.051 1.627 1.00 0.00 C ATOM 1053 O LYS A 71 -3.673 -11.120 2.261 1.00 0.00 O ATOM 1054 CB LYS A 71 -5.918 -13.150 2.978 1.00 0.00 C ATOM 1055 CG LYS A 71 -6.992 -13.005 1.897 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.339 -12.700 2.554 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.435 -12.683 1.485 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.580 -11.855 1.961 1.00 0.00 N ATOM 0 H LYS A 71 -3.445 -13.039 4.113 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.621 -14.147 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.148 -13.998 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.902 -12.263 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.723 -12.206 1.207 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.060 -13.922 1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.565 -13.451 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.298 -11.737 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.042 -12.278 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.769 -13.699 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.325 -11.843 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.960 -12.260 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.255 -10.883 2.140 1.00 0.00 H new ATOM 1072 N ILE A 72 -4.269 -11.982 0.332 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.870 -10.744 -0.395 1.00 0.00 C ATOM 1074 C ILE A 72 -5.113 -9.898 -0.683 1.00 0.00 C ATOM 1075 O ILE A 72 -6.121 -10.397 -1.145 1.00 0.00 O ATOM 1076 CB ILE A 72 -3.192 -11.122 -1.713 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.996 -12.032 -1.429 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.711 -9.853 -2.421 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.350 -12.453 -2.750 1.00 0.00 C ATOM 0 H ILE A 72 -4.644 -12.728 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.175 -10.170 0.218 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.904 -11.647 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.269 -11.511 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.319 -12.912 -0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.228 -10.121 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.563 -9.204 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.999 -9.328 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.498 -13.102 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.079 -12.990 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.012 -11.567 -3.288 1.00 0.00 H new ATOM 1091 N HIS A 73 -5.051 -8.624 -0.414 1.00 0.00 N ATOM 1092 CA HIS A 73 -6.228 -7.748 -0.672 1.00 0.00 C ATOM 1093 C HIS A 73 -6.140 -7.180 -2.090 1.00 0.00 C ATOM 1094 O HIS A 73 -7.105 -7.171 -2.828 1.00 0.00 O ATOM 1095 CB HIS A 73 -6.242 -6.600 0.338 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.590 -7.134 1.700 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.873 -7.541 2.029 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.833 -7.332 2.828 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.850 -7.959 3.308 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.631 -7.853 3.842 1.00 0.00 N ATOM 0 H HIS A 73 -4.235 -8.151 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.143 -8.331 -0.570 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.267 -6.113 0.365 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.967 -5.844 0.036 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.687 -7.526 1.414 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.778 -7.116 2.915 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.713 -8.335 3.838 1.00 0.00 H new ATOM 1108 N SER A 74 -4.988 -6.702 -2.477 1.00 0.00 N ATOM 1109 CA SER A 74 -4.840 -6.133 -3.846 1.00 0.00 C ATOM 1110 C SER A 74 -3.360 -5.878 -4.138 1.00 0.00 C ATOM 1111 O SER A 74 -2.585 -5.583 -3.250 1.00 0.00 O ATOM 1112 CB SER A 74 -5.612 -4.816 -3.938 1.00 0.00 C ATOM 1113 OG SER A 74 -4.941 -3.820 -3.180 1.00 0.00 O ATOM 0 H SER A 74 -4.144 -6.681 -1.904 1.00 0.00 H new ATOM 0 HA SER A 74 -5.237 -6.839 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.694 -4.502 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.627 -4.950 -3.564 1.00 0.00 H new ATOM 0 HG SER A 74 -4.536 -4.230 -2.387 1.00 0.00 H new ATOM 1119 N ILE A 75 -2.964 -5.988 -5.375 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.534 -5.751 -5.725 1.00 0.00 C ATOM 1121 C ILE A 75 -1.453 -4.738 -6.869 1.00 0.00 C ATOM 1122 O ILE A 75 -2.285 -4.719 -7.753 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.891 -7.068 -6.163 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.490 -7.509 -7.501 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -1.155 -8.143 -5.107 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.738 -8.739 -8.015 1.00 0.00 C ATOM 0 H ILE A 75 -3.568 -6.232 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.005 -5.361 -4.855 1.00 0.00 H new ATOM 0 HB ILE A 75 0.184 -6.926 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.548 -7.741 -7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.423 -6.699 -8.227 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.696 -9.081 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.727 -7.830 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.230 -8.285 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.164 -9.054 -8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.315 -8.491 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.828 -9.549 -7.292 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.455 -3.897 -6.860 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.324 -2.888 -7.949 1.00 0.00 C ATOM 1140 C ASP A 76 1.105 -2.909 -8.495 1.00 0.00 C ATOM 1141 O ASP A 76 1.981 -2.228 -7.999 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.637 -1.497 -7.396 1.00 0.00 C ATOM 1143 CG ASP A 76 -2.106 -1.438 -6.969 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.847 -2.331 -7.344 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.464 -0.501 -6.275 1.00 0.00 O ATOM 0 H ASP A 76 0.274 -3.865 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.023 -3.127 -8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.009 -1.278 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.436 -0.739 -8.153 1.00 0.00 H new ATOM 1150 N LYS A 77 1.348 -3.685 -9.516 1.00 0.00 N ATOM 1151 CA LYS A 77 2.719 -3.748 -10.094 1.00 0.00 C ATOM 1152 C LYS A 77 3.103 -2.372 -10.643 1.00 0.00 C ATOM 1153 O LYS A 77 4.247 -1.967 -10.587 1.00 0.00 O ATOM 1154 CB LYS A 77 2.750 -4.776 -11.227 1.00 0.00 C ATOM 1155 CG LYS A 77 2.488 -6.172 -10.656 1.00 0.00 C ATOM 1156 CD LYS A 77 2.629 -7.213 -11.768 1.00 0.00 C ATOM 1157 CE LYS A 77 2.257 -8.594 -11.225 1.00 0.00 C ATOM 1158 NZ LYS A 77 3.206 -9.610 -11.761 1.00 0.00 N ATOM 0 H LYS A 77 0.656 -4.278 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 77 3.427 -4.042 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.997 -4.530 -11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.718 -4.752 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.192 -6.386 -9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.488 -6.218 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.983 -6.954 -12.607 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.652 -7.222 -12.145 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.290 -8.589 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.236 -8.847 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.954 -10.549 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.154 -9.620 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.174 -9.371 -11.466 1.00 0.00 H new ATOM 1172 N VAL A 78 2.154 -1.651 -11.175 1.00 0.00 N ATOM 1173 CA VAL A 78 2.465 -0.301 -11.726 1.00 0.00 C ATOM 1174 C VAL A 78 2.700 0.678 -10.574 1.00 0.00 C ATOM 1175 O VAL A 78 3.578 1.515 -10.628 1.00 0.00 O ATOM 1176 CB VAL A 78 1.289 0.185 -12.576 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.515 1.646 -12.970 1.00 0.00 C ATOM 1178 CG2 VAL A 78 1.185 -0.673 -13.839 1.00 0.00 C ATOM 0 H VAL A 78 1.178 -1.938 -11.252 1.00 0.00 H new ATOM 0 HA VAL A 78 3.362 -0.358 -12.343 1.00 0.00 H new ATOM 0 HB VAL A 78 0.366 0.102 -12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.678 1.993 -13.576 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.591 2.258 -12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.438 1.729 -13.545 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.348 -0.328 -14.445 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.108 -0.589 -14.413 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.025 -1.714 -13.559 1.00 0.00 H new ATOM 1188 N ASN A 79 1.921 0.579 -9.531 1.00 0.00 N ATOM 1189 CA ASN A 79 2.099 1.504 -8.377 1.00 0.00 C ATOM 1190 C ASN A 79 3.136 0.924 -7.411 1.00 0.00 C ATOM 1191 O ASN A 79 3.383 1.466 -6.353 1.00 0.00 O ATOM 1192 CB ASN A 79 0.763 1.672 -7.648 1.00 0.00 C ATOM 1193 CG ASN A 79 -0.279 2.233 -8.617 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -1.398 1.586 -8.797 1.00 0.00 O flip ATOM 1195 ND2 ASN A 79 -0.074 3.269 -9.216 1.00 0.00 N flip ATOM 0 H ASN A 79 1.169 -0.103 -9.429 1.00 0.00 H new ATOM 0 HA ASN A 79 2.442 2.473 -8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.429 0.713 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.882 2.343 -6.797 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.800 3.775 -9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.776 3.633 -9.860 1.00 0.00 H new ATOM 1202 N HIS A 80 3.745 -0.175 -7.767 1.00 0.00 N ATOM 1203 CA HIS A 80 4.765 -0.785 -6.867 1.00 0.00 C ATOM 1204 C HIS A 80 4.207 -0.874 -5.446 1.00 0.00 C ATOM 1205 O HIS A 80 4.882 -0.565 -4.484 1.00 0.00 O ATOM 1206 CB HIS A 80 6.027 0.080 -6.866 1.00 0.00 C ATOM 1207 CG HIS A 80 6.435 0.372 -8.284 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.244 1.614 -8.868 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.028 -0.407 -9.247 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.712 1.546 -10.128 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.202 0.336 -10.410 1.00 0.00 N ATOM 0 H HIS A 80 3.581 -0.676 -8.640 1.00 0.00 H new ATOM 0 HA HIS A 80 5.010 -1.786 -7.223 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.842 1.011 -6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.833 -0.434 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.316 -1.440 -9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.694 2.370 -10.826 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.615 0.024 -11.289 1.00 0.00 H new ATOM 1219 N THR A 81 2.979 -1.293 -5.305 1.00 0.00 N ATOM 1220 CA THR A 81 2.380 -1.400 -3.944 1.00 0.00 C ATOM 1221 C THR A 81 1.822 -2.811 -3.742 1.00 0.00 C ATOM 1222 O THR A 81 1.192 -3.371 -4.615 1.00 0.00 O ATOM 1223 CB THR A 81 1.249 -0.379 -3.803 1.00 0.00 C ATOM 1224 OG1 THR A 81 1.738 0.915 -4.123 1.00 0.00 O ATOM 1225 CG2 THR A 81 0.726 -0.390 -2.366 1.00 0.00 C ATOM 0 H THR A 81 2.365 -1.566 -6.073 1.00 0.00 H new ATOM 0 HA THR A 81 3.145 -1.201 -3.193 1.00 0.00 H new ATOM 0 HB THR A 81 0.438 -0.638 -4.484 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.149 0.899 -5.012 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.080 0.338 -2.266 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.350 -1.384 -2.123 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.535 -0.132 -1.682 1.00 0.00 H new ATOM 1233 N TYR A 82 2.049 -3.387 -2.593 1.00 0.00 N ATOM 1234 CA TYR A 82 1.531 -4.760 -2.332 1.00 0.00 C ATOM 1235 C TYR A 82 0.816 -4.783 -0.979 1.00 0.00 C ATOM 1236 O TYR A 82 1.360 -4.373 0.027 1.00 0.00 O ATOM 1237 CB TYR A 82 2.697 -5.751 -2.311 1.00 0.00 C ATOM 1238 CG TYR A 82 2.161 -7.159 -2.217 1.00 0.00 C ATOM 1239 CD1 TYR A 82 1.802 -7.851 -3.379 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.025 -7.774 -0.967 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.306 -9.157 -3.292 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.529 -9.081 -0.879 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.170 -9.772 -2.042 1.00 0.00 C ATOM 1244 OH TYR A 82 0.681 -11.059 -1.956 1.00 0.00 O ATOM 0 H TYR A 82 2.571 -2.966 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 82 0.831 -5.042 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.299 -5.639 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.350 -5.542 -1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.908 -7.377 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.303 -7.241 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.028 -9.690 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.424 -9.555 0.086 1.00 0.00 H new ATOM 0 HH TYR A 82 0.870 -11.422 -1.066 1.00 0.00 H new ATOM 1254 N SER A 83 -0.400 -5.256 -0.946 1.00 0.00 N ATOM 1255 CA SER A 83 -1.146 -5.302 0.343 1.00 0.00 C ATOM 1256 C SER A 83 -1.551 -6.745 0.651 1.00 0.00 C ATOM 1257 O SER A 83 -1.995 -7.474 -0.214 1.00 0.00 O ATOM 1258 CB SER A 83 -2.400 -4.432 0.234 1.00 0.00 C ATOM 1259 OG SER A 83 -3.291 -5.003 -0.712 1.00 0.00 O ATOM 0 H SER A 83 -0.909 -5.612 -1.755 1.00 0.00 H new ATOM 0 HA SER A 83 -0.510 -4.927 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.886 -4.353 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.129 -3.421 -0.070 1.00 0.00 H new ATOM 0 HG SER A 83 -2.826 -5.127 -1.566 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.405 -7.162 1.879 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.784 -8.557 2.242 1.00 0.00 C ATOM 1267 C TYR A 84 -2.205 -8.602 3.714 1.00 0.00 C ATOM 1268 O TYR A 84 -2.020 -7.655 4.451 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.587 -9.486 2.021 1.00 0.00 C ATOM 1270 CG TYR A 84 0.457 -9.230 3.084 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.372 -8.181 2.929 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.508 -10.041 4.223 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.338 -7.944 3.913 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.474 -9.804 5.209 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.389 -8.756 5.053 1.00 0.00 C ATOM 1276 OH TYR A 84 3.341 -8.523 6.024 1.00 0.00 O ATOM 0 H TYR A 84 -1.040 -6.597 2.646 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.615 -8.884 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.910 -10.526 2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.162 -9.318 1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.332 -7.555 2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.198 -10.850 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.044 -7.135 3.794 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.513 -10.429 6.089 1.00 0.00 H new ATOM 0 HH TYR A 84 2.912 -8.143 6.819 1.00 0.00 H new ATOM 1286 N SER A 85 -2.771 -9.696 4.147 1.00 0.00 N ATOM 1287 CA SER A 85 -3.203 -9.797 5.569 1.00 0.00 C ATOM 1288 C SER A 85 -3.016 -11.234 6.060 1.00 0.00 C ATOM 1289 O SER A 85 -2.911 -12.158 5.278 1.00 0.00 O ATOM 1290 CB SER A 85 -4.679 -9.409 5.682 1.00 0.00 C ATOM 1291 OG SER A 85 -5.463 -10.298 4.900 1.00 0.00 O ATOM 0 H SER A 85 -2.952 -10.523 3.578 1.00 0.00 H new ATOM 0 HA SER A 85 -2.601 -9.124 6.179 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.997 -9.447 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.824 -8.384 5.341 1.00 0.00 H new ATOM 0 HG SER A 85 -6.082 -9.783 4.341 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.976 -11.430 7.350 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.799 -12.808 7.890 1.00 0.00 C ATOM 1299 C LEU A 86 -4.165 -13.384 8.269 1.00 0.00 C ATOM 1300 O LEU A 86 -4.865 -12.847 9.104 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.903 -12.759 9.128 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.328 -14.152 9.395 1.00 0.00 C ATOM 1303 CD1 LEU A 86 -0.335 -14.079 10.558 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -2.464 -15.113 9.753 1.00 0.00 C ATOM 0 H LEU A 86 -3.058 -10.696 8.053 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.335 -13.440 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.095 -12.043 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.475 -12.418 9.991 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.816 -14.512 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.075 -15.071 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.474 -13.395 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.846 -13.720 11.451 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.055 -16.105 9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.976 -14.754 10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.171 -15.165 8.925 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.551 -14.471 7.660 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.872 -15.077 7.985 1.00 0.00 C ATOM 1318 C ILE A 87 -5.791 -15.797 9.333 1.00 0.00 C ATOM 1319 O ILE A 87 -6.541 -15.514 10.245 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.256 -16.078 6.894 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.533 -15.331 5.589 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.511 -16.842 7.321 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.712 -16.339 4.452 1.00 0.00 C ATOM 0 H ILE A 87 -4.009 -14.965 6.952 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.626 -14.292 8.040 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.437 -16.781 6.742 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.429 -14.719 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.709 -14.654 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.785 -17.555 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.313 -17.376 8.250 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.330 -16.139 7.474 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.910 -15.807 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.804 -16.932 4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.551 -16.998 4.678 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.886 -16.728 9.468 1.00 0.00 N ATOM 1336 CA GLU A 88 -4.764 -17.461 10.760 1.00 0.00 C ATOM 1337 C GLU A 88 -3.306 -17.862 10.987 1.00 0.00 C ATOM 1338 O GLU A 88 -2.506 -17.880 10.072 1.00 0.00 O ATOM 1339 CB GLU A 88 -5.638 -18.715 10.718 1.00 0.00 C ATOM 1340 CG GLU A 88 -7.109 -18.309 10.598 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.498 -17.440 11.796 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -6.783 -17.475 12.785 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -8.503 -16.755 11.704 1.00 0.00 O ATOM 0 H GLU A 88 -4.228 -17.012 8.742 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.092 -16.816 11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.353 -19.342 9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.486 -19.308 11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.272 -17.761 9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.740 -19.197 10.559 1.00 0.00 H new ATOM 1350 N GLY A 89 -2.954 -18.183 12.202 1.00 0.00 N ATOM 1351 CA GLY A 89 -1.549 -18.582 12.492 1.00 0.00 C ATOM 1352 C GLY A 89 -1.445 -19.039 13.950 1.00 0.00 C ATOM 1353 O GLY A 89 -2.182 -18.589 14.805 1.00 0.00 O ATOM 0 H GLY A 89 -3.580 -18.186 13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.242 -19.386 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.876 -17.744 12.312 1.00 0.00 H new ATOM 1357 N ASP A 90 -0.537 -19.929 14.239 1.00 0.00 N ATOM 1358 CA ASP A 90 -0.389 -20.413 15.640 1.00 0.00 C ATOM 1359 C ASP A 90 -0.052 -19.235 16.556 1.00 0.00 C ATOM 1360 O ASP A 90 -0.341 -19.252 17.736 1.00 0.00 O ATOM 1361 CB ASP A 90 0.738 -21.446 15.705 1.00 0.00 C ATOM 1362 CG ASP A 90 0.386 -22.519 16.739 1.00 0.00 C ATOM 1363 OD1 ASP A 90 -0.687 -22.430 17.313 1.00 0.00 O ATOM 1364 OD2 ASP A 90 1.195 -23.408 16.938 1.00 0.00 O ATOM 0 H ASP A 90 0.109 -20.342 13.566 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.323 -20.870 15.966 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.884 -21.903 14.726 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.676 -20.960 15.974 1.00 0.00 H new ATOM 1369 N ALA A 91 0.558 -18.212 16.024 1.00 0.00 N ATOM 1370 CA ALA A 91 0.914 -17.034 16.865 1.00 0.00 C ATOM 1371 C ALA A 91 -0.328 -16.171 17.089 1.00 0.00 C ATOM 1372 O ALA A 91 -0.453 -15.495 18.093 1.00 0.00 O ATOM 1373 CB ALA A 91 1.989 -16.207 16.157 1.00 0.00 C ATOM 0 H ALA A 91 0.826 -18.141 15.042 1.00 0.00 H new ATOM 0 HA ALA A 91 1.295 -17.378 17.827 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.249 -15.346 16.772 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.875 -16.821 15.999 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.609 -15.864 15.195 1.00 0.00 H new ATOM 1379 N LEU A 92 -1.249 -16.186 16.165 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.483 -15.364 16.332 1.00 0.00 C ATOM 1381 C LEU A 92 -3.389 -16.042 17.353 1.00 0.00 C ATOM 1382 O LEU A 92 -4.101 -15.400 18.100 1.00 0.00 O ATOM 1383 CB LEU A 92 -3.219 -15.260 14.994 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.207 -15.191 13.848 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -2.926 -14.776 12.562 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -1.122 -14.162 14.177 1.00 0.00 C ATOM 0 H LEU A 92 -1.202 -16.730 15.303 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.215 -14.364 16.673 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.874 -16.121 14.861 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.853 -14.373 14.985 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.747 -16.170 13.713 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.208 -14.726 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.697 -15.509 12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.386 -13.798 12.702 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.404 -14.116 13.358 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.579 -13.182 14.314 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.609 -14.454 15.094 1.00 0.00 H new ATOM 1398 N SER A 93 -3.363 -17.341 17.386 1.00 0.00 N ATOM 1399 CA SER A 93 -4.216 -18.087 18.354 1.00 0.00 C ATOM 1400 C SER A 93 -5.668 -17.625 18.215 1.00 0.00 C ATOM 1401 O SER A 93 -6.005 -16.866 17.329 1.00 0.00 O ATOM 1402 CB SER A 93 -3.728 -17.813 19.778 1.00 0.00 C ATOM 1403 OG SER A 93 -2.612 -18.644 20.063 1.00 0.00 O ATOM 0 H SER A 93 -2.785 -17.925 16.781 1.00 0.00 H new ATOM 0 HA SER A 93 -4.153 -19.155 18.147 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.451 -16.764 19.884 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.529 -18.004 20.492 1.00 0.00 H new ATOM 0 HG SER A 93 -2.055 -18.730 19.261 1.00 0.00 H new ATOM 1409 N GLU A 94 -6.530 -18.077 19.083 1.00 0.00 N ATOM 1410 CA GLU A 94 -7.958 -17.663 18.998 1.00 0.00 C ATOM 1411 C GLU A 94 -8.127 -16.274 19.620 1.00 0.00 C ATOM 1412 O GLU A 94 -9.201 -15.707 19.608 1.00 0.00 O ATOM 1413 CB GLU A 94 -8.827 -18.670 19.754 1.00 0.00 C ATOM 1414 CG GLU A 94 -8.773 -20.025 19.046 1.00 0.00 C ATOM 1415 CD GLU A 94 -9.708 -21.007 19.753 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -10.236 -20.649 20.793 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -9.880 -22.103 19.244 1.00 0.00 O ATOM 0 H GLU A 94 -6.307 -18.715 19.847 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.264 -17.631 17.952 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.476 -18.770 20.781 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.856 -18.314 19.802 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.067 -19.914 18.002 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.753 -20.410 19.051 1.00 0.00 H new ATOM 1424 N ASN A 95 -7.077 -15.722 20.164 1.00 0.00 N ATOM 1425 CA ASN A 95 -7.183 -14.371 20.786 1.00 0.00 C ATOM 1426 C ASN A 95 -6.868 -13.299 19.741 1.00 0.00 C ATOM 1427 O ASN A 95 -7.454 -12.234 19.736 1.00 0.00 O ATOM 1428 CB ASN A 95 -6.183 -14.261 21.939 1.00 0.00 C ATOM 1429 CG ASN A 95 -6.519 -15.303 23.005 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -7.616 -15.823 23.043 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -5.611 -15.634 23.882 1.00 0.00 N ATOM 0 H ASN A 95 -6.151 -16.147 20.205 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.195 -14.226 21.163 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.169 -14.416 21.571 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.217 -13.260 22.370 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.823 -16.329 24.598 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.689 -15.198 23.851 1.00 0.00 H new ATOM 1438 N ILE A 96 -5.944 -13.568 18.861 1.00 0.00 N ATOM 1439 CA ILE A 96 -5.588 -12.560 17.824 1.00 0.00 C ATOM 1440 C ILE A 96 -6.419 -12.792 16.560 1.00 0.00 C ATOM 1441 O ILE A 96 -6.503 -13.891 16.049 1.00 0.00 O ATOM 1442 CB ILE A 96 -4.102 -12.683 17.482 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -3.276 -12.628 18.770 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -3.692 -11.528 16.565 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -1.791 -12.764 18.428 1.00 0.00 C ATOM 0 H ILE A 96 -5.420 -14.442 18.815 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.796 -11.563 18.212 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.923 -13.631 16.975 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.456 -11.687 19.290 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.580 -13.429 19.444 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.633 -11.615 16.321 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.280 -11.565 15.648 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.871 -10.580 17.072 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.202 -12.725 19.344 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.619 -13.716 17.926 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.493 -11.948 17.770 1.00 0.00 H new ATOM 1457 N GLU A 97 -7.027 -11.757 16.049 1.00 0.00 N ATOM 1458 CA GLU A 97 -7.847 -11.898 14.813 1.00 0.00 C ATOM 1459 C GLU A 97 -6.947 -11.694 13.591 1.00 0.00 C ATOM 1460 O GLU A 97 -5.756 -11.494 13.717 1.00 0.00 O ATOM 1461 CB GLU A 97 -8.964 -10.852 14.812 1.00 0.00 C ATOM 1462 CG GLU A 97 -9.801 -11.000 16.084 1.00 0.00 C ATOM 1463 CD GLU A 97 -10.460 -12.381 16.102 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -10.505 -13.008 15.055 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -10.907 -12.788 17.160 1.00 0.00 O ATOM 0 H GLU A 97 -6.991 -10.814 16.437 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.292 -12.892 14.779 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.539 -9.850 14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.595 -10.978 13.932 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.170 -10.875 16.964 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.562 -10.221 16.124 1.00 0.00 H new ATOM 1472 N LYS A 98 -7.502 -11.749 12.412 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.665 -11.567 11.192 1.00 0.00 C ATOM 1474 C LYS A 98 -5.927 -10.229 11.276 1.00 0.00 C ATOM 1475 O LYS A 98 -6.367 -9.303 11.930 1.00 0.00 O ATOM 1476 CB LYS A 98 -7.563 -11.572 9.954 1.00 0.00 C ATOM 1477 CG LYS A 98 -8.245 -12.935 9.822 1.00 0.00 C ATOM 1478 CD LYS A 98 -9.079 -12.966 8.540 1.00 0.00 C ATOM 1479 CE LYS A 98 -9.887 -14.264 8.488 1.00 0.00 C ATOM 1480 NZ LYS A 98 -11.244 -14.026 9.059 1.00 0.00 N ATOM 0 H LYS A 98 -8.494 -11.911 12.240 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.942 -12.380 11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.313 -10.785 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.972 -11.362 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.497 -13.727 9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.882 -13.120 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.749 -12.107 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.428 -12.895 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.970 -14.613 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.376 -15.046 9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.795 -14.908 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.155 -13.712 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.730 -13.292 8.505 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.802 -10.125 10.623 1.00 0.00 N ATOM 1495 CA ILE A 99 -4.027 -8.853 10.666 1.00 0.00 C ATOM 1496 C ILE A 99 -3.922 -8.270 9.256 1.00 0.00 C ATOM 1497 O ILE A 99 -3.688 -8.979 8.297 1.00 0.00 O ATOM 1498 CB ILE A 99 -2.623 -9.134 11.206 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -2.726 -9.814 12.572 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -1.858 -7.816 11.348 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -1.376 -10.440 12.933 1.00 0.00 C ATOM 0 H ILE A 99 -4.386 -10.867 10.061 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.534 -8.140 11.316 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.093 -9.789 10.515 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.017 -9.088 13.331 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.501 -10.581 12.551 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.858 -8.015 11.733 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.782 -7.332 10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.388 -7.160 12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.448 -10.925 13.907 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.104 -11.179 12.179 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.613 -9.663 12.971 1.00 0.00 H new ATOM 1513 N ASP A 100 -4.089 -6.983 9.122 1.00 0.00 N ATOM 1514 CA ASP A 100 -3.994 -6.355 7.774 1.00 0.00 C ATOM 1515 C ASP A 100 -2.563 -5.866 7.542 1.00 0.00 C ATOM 1516 O ASP A 100 -2.022 -5.110 8.324 1.00 0.00 O ATOM 1517 CB ASP A 100 -4.959 -5.170 7.695 1.00 0.00 C ATOM 1518 CG ASP A 100 -6.399 -5.678 7.797 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -6.598 -6.871 7.642 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -7.277 -4.863 8.029 1.00 0.00 O ATOM 0 H ASP A 100 -4.287 -6.339 9.888 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.256 -7.087 7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.753 -4.465 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.817 -4.633 6.757 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.944 -6.292 6.474 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.548 -5.850 6.199 1.00 0.00 C ATOM 1527 C TYR A 101 -0.510 -5.055 4.892 1.00 0.00 C ATOM 1528 O TYR A 101 -1.174 -5.389 3.931 1.00 0.00 O ATOM 1529 CB TYR A 101 0.360 -7.075 6.077 1.00 0.00 C ATOM 1530 CG TYR A 101 0.530 -7.714 7.435 1.00 0.00 C ATOM 1531 CD1 TYR A 101 1.475 -7.204 8.334 1.00 0.00 C ATOM 1532 CD2 TYR A 101 -0.257 -8.814 7.795 1.00 0.00 C ATOM 1533 CE1 TYR A 101 1.632 -7.796 9.594 1.00 0.00 C ATOM 1534 CE2 TYR A 101 -0.099 -9.406 9.055 1.00 0.00 C ATOM 1535 CZ TYR A 101 0.845 -8.897 9.954 1.00 0.00 C ATOM 1536 OH TYR A 101 1.000 -9.479 11.196 1.00 0.00 O ATOM 0 H TYR A 101 -2.344 -6.926 5.782 1.00 0.00 H new ATOM 0 HA TYR A 101 -0.200 -5.219 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.070 -7.792 5.378 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.331 -6.783 5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.082 -6.355 8.056 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.986 -9.206 7.102 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.360 -7.403 10.288 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.706 -10.255 9.332 1.00 0.00 H new ATOM 0 HH TYR A 101 1.029 -8.781 11.883 1.00 0.00 H new ATOM 1546 N GLU A 102 0.266 -4.006 4.850 1.00 0.00 N ATOM 1547 CA GLU A 102 0.351 -3.189 3.607 1.00 0.00 C ATOM 1548 C GLU A 102 1.820 -2.897 3.293 1.00 0.00 C ATOM 1549 O GLU A 102 2.598 -2.572 4.168 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.399 -1.871 3.810 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.874 -2.163 4.096 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.652 -0.847 4.152 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -2.018 0.195 4.134 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.869 -0.903 4.214 1.00 0.00 O ATOM 0 H GLU A 102 0.845 -3.680 5.624 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.098 -3.737 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.040 -1.314 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.306 -1.247 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.285 -2.808 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.974 -2.697 5.041 1.00 0.00 H new ATOM 1561 N THR A 103 2.208 -3.013 2.052 1.00 0.00 N ATOM 1562 CA THR A 103 3.628 -2.743 1.689 1.00 0.00 C ATOM 1563 C THR A 103 3.680 -1.749 0.527 1.00 0.00 C ATOM 1564 O THR A 103 2.923 -1.844 -0.419 1.00 0.00 O ATOM 1565 CB THR A 103 4.305 -4.051 1.272 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.139 -5.016 2.301 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.795 -3.804 1.035 1.00 0.00 C ATOM 0 H THR A 103 1.604 -3.283 1.275 1.00 0.00 H new ATOM 0 HA THR A 103 4.148 -2.322 2.549 1.00 0.00 H new ATOM 0 HB THR A 103 3.851 -4.419 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.570 -5.855 2.035 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.276 -4.736 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.920 -3.064 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.253 -3.436 1.953 1.00 0.00 H new ATOM 1575 N LYS A 104 4.570 -0.796 0.589 1.00 0.00 N ATOM 1576 CA LYS A 104 4.672 0.203 -0.512 1.00 0.00 C ATOM 1577 C LYS A 104 6.146 0.500 -0.795 1.00 0.00 C ATOM 1578 O LYS A 104 6.912 0.800 0.099 1.00 0.00 O ATOM 1579 CB LYS A 104 3.964 1.494 -0.098 1.00 0.00 C ATOM 1580 CG LYS A 104 3.944 2.466 -1.280 1.00 0.00 C ATOM 1581 CD LYS A 104 3.261 3.769 -0.859 1.00 0.00 C ATOM 1582 CE LYS A 104 3.141 4.696 -2.070 1.00 0.00 C ATOM 1583 NZ LYS A 104 1.980 5.611 -1.880 1.00 0.00 N ATOM 0 H LYS A 104 5.231 -0.666 1.355 1.00 0.00 H new ATOM 0 HA LYS A 104 4.202 -0.198 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.946 1.276 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.477 1.947 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.961 2.668 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.414 2.021 -2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.273 3.558 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.836 4.255 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.057 5.274 -2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.011 4.109 -2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.897 6.242 -2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.109 5.051 -1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.123 6.179 -1.021 1.00 0.00 H new ATOM 1597 N LEU A 105 6.550 0.417 -2.033 1.00 0.00 N ATOM 1598 CA LEU A 105 7.975 0.695 -2.372 1.00 0.00 C ATOM 1599 C LEU A 105 8.108 2.129 -2.884 1.00 0.00 C ATOM 1600 O LEU A 105 7.373 2.560 -3.751 1.00 0.00 O ATOM 1601 CB LEU A 105 8.439 -0.281 -3.455 1.00 0.00 C ATOM 1602 CG LEU A 105 8.415 -1.707 -2.902 1.00 0.00 C ATOM 1603 CD1 LEU A 105 9.107 -1.738 -1.538 1.00 0.00 C ATOM 1604 CD2 LEU A 105 6.965 -2.172 -2.749 1.00 0.00 C ATOM 0 H LEU A 105 5.956 0.169 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 105 8.592 0.571 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.790 -0.207 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.446 -0.024 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 105 8.938 -2.371 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.090 -2.754 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.140 -1.408 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.585 -1.073 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.948 -3.188 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.440 -1.508 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.472 -2.152 -3.721 1.00 0.00 H new ATOM 1616 N VAL A 106 9.041 2.873 -2.357 1.00 0.00 N ATOM 1617 CA VAL A 106 9.222 4.280 -2.814 1.00 0.00 C ATOM 1618 C VAL A 106 10.701 4.530 -3.118 1.00 0.00 C ATOM 1619 O VAL A 106 11.577 3.991 -2.472 1.00 0.00 O ATOM 1620 CB VAL A 106 8.758 5.237 -1.715 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.818 6.676 -2.231 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.318 4.899 -1.318 1.00 0.00 C ATOM 0 H VAL A 106 9.687 2.567 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 106 8.632 4.449 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 106 9.409 5.134 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.487 7.358 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.842 6.919 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.167 6.779 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.987 5.581 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.668 5.001 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.273 3.874 -0.950 1.00 0.00 H new ATOM 1632 N SER A 107 10.984 5.346 -4.096 1.00 0.00 N ATOM 1633 CA SER A 107 12.407 5.631 -4.438 1.00 0.00 C ATOM 1634 C SER A 107 12.728 7.090 -4.110 1.00 0.00 C ATOM 1635 O SER A 107 11.909 7.971 -4.285 1.00 0.00 O ATOM 1636 CB SER A 107 12.631 5.382 -5.931 1.00 0.00 C ATOM 1637 OG SER A 107 11.868 6.311 -6.687 1.00 0.00 O ATOM 0 H SER A 107 10.293 5.827 -4.672 1.00 0.00 H new ATOM 0 HA SER A 107 13.059 4.977 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.689 5.483 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.341 4.363 -6.188 1.00 0.00 H new ATOM 0 HG SER A 107 12.013 6.152 -7.643 1.00 0.00 H new ATOM 1643 N ALA A 108 13.914 7.354 -3.634 1.00 0.00 N ATOM 1644 CA ALA A 108 14.285 8.757 -3.294 1.00 0.00 C ATOM 1645 C ALA A 108 15.351 9.255 -4.273 1.00 0.00 C ATOM 1646 O ALA A 108 15.968 8.482 -4.979 1.00 0.00 O ATOM 1647 CB ALA A 108 14.839 8.808 -1.869 1.00 0.00 C ATOM 0 H ALA A 108 14.642 6.659 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 108 13.402 9.392 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.110 9.834 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.080 8.454 -1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.722 8.172 -1.799 1.00 0.00 H new ATOM 1653 N PRO A 109 15.569 10.578 -4.308 1.00 0.00 N ATOM 1654 CA PRO A 109 16.561 11.194 -5.199 1.00 0.00 C ATOM 1655 C PRO A 109 17.994 10.852 -4.777 1.00 0.00 C ATOM 1656 O PRO A 109 18.924 10.981 -5.546 1.00 0.00 O ATOM 1657 CB PRO A 109 16.310 12.693 -5.032 1.00 0.00 C ATOM 1658 CG PRO A 109 15.686 12.820 -3.684 1.00 0.00 C ATOM 1659 CD PRO A 109 14.867 11.576 -3.485 1.00 0.00 C ATOM 0 HA PRO A 109 16.462 10.844 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.239 13.260 -5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.651 13.074 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.447 12.913 -2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 109 15.061 13.711 -3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.831 11.280 -2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.837 11.715 -3.812 1.00 0.00 H new ATOM 1667 N HIS A 110 18.175 10.413 -3.560 1.00 0.00 N ATOM 1668 CA HIS A 110 19.546 10.061 -3.095 1.00 0.00 C ATOM 1669 C HIS A 110 20.055 8.852 -3.881 1.00 0.00 C ATOM 1670 O HIS A 110 21.232 8.551 -3.882 1.00 0.00 O ATOM 1671 CB HIS A 110 19.507 9.716 -1.604 1.00 0.00 C ATOM 1672 CG HIS A 110 18.968 10.888 -0.830 1.00 0.00 C ATOM 1673 ND1 HIS A 110 19.714 12.035 -0.613 1.00 0.00 N ATOM 1674 CD2 HIS A 110 17.761 11.102 -0.212 1.00 0.00 C ATOM 1675 CE1 HIS A 110 18.955 12.882 0.108 1.00 0.00 C ATOM 1676 NE2 HIS A 110 17.755 12.361 0.379 1.00 0.00 N ATOM 0 H HIS A 110 17.435 10.284 -2.870 1.00 0.00 H new ATOM 0 HA HIS A 110 20.212 10.909 -3.256 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.881 8.839 -1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.507 9.464 -1.252 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.941 10.400 -0.188 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.277 13.862 0.428 1.00 0.00 H new ATOM 0 HE2 HIS A 110 16.997 12.794 0.906 1.00 0.00 H new ATOM 1684 N GLY A 111 19.177 8.155 -4.549 1.00 0.00 N ATOM 1685 CA GLY A 111 19.611 6.965 -5.333 1.00 0.00 C ATOM 1686 C GLY A 111 19.123 5.693 -4.634 1.00 0.00 C ATOM 1687 O GLY A 111 18.989 4.651 -5.244 1.00 0.00 O ATOM 0 H GLY A 111 18.178 8.358 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 111 19.208 7.015 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.697 6.951 -5.423 1.00 0.00 H new ATOM 1691 N GLY A 112 18.857 5.771 -3.359 1.00 0.00 N ATOM 1692 CA GLY A 112 18.378 4.567 -2.622 1.00 0.00 C ATOM 1693 C GLY A 112 16.860 4.450 -2.772 1.00 0.00 C ATOM 1694 O GLY A 112 16.226 5.262 -3.417 1.00 0.00 O ATOM 0 H GLY A 112 18.951 6.616 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.863 3.672 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.646 4.642 -1.568 1.00 0.00 H new ATOM 1698 N THR A 113 16.271 3.446 -2.182 1.00 0.00 N ATOM 1699 CA THR A 113 14.794 3.279 -2.295 1.00 0.00 C ATOM 1700 C THR A 113 14.178 3.204 -0.897 1.00 0.00 C ATOM 1701 O THR A 113 14.580 2.407 -0.072 1.00 0.00 O ATOM 1702 CB THR A 113 14.483 1.990 -3.058 1.00 0.00 C ATOM 1703 OG1 THR A 113 15.119 2.029 -4.327 1.00 0.00 O ATOM 1704 CG2 THR A 113 12.971 1.858 -3.245 1.00 0.00 C ATOM 0 H THR A 113 16.748 2.735 -1.627 1.00 0.00 H new ATOM 0 HA THR A 113 14.374 4.130 -2.831 1.00 0.00 H new ATOM 0 HB THR A 113 14.852 1.134 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.805 1.330 -4.371 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.750 0.939 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.485 1.828 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.598 2.712 -3.810 1.00 0.00 H new ATOM 1712 N ILE A 114 13.200 4.024 -0.624 1.00 0.00 N ATOM 1713 CA ILE A 114 12.553 3.997 0.717 1.00 0.00 C ATOM 1714 C ILE A 114 11.376 3.020 0.692 1.00 0.00 C ATOM 1715 O ILE A 114 10.618 2.973 -0.256 1.00 0.00 O ATOM 1716 CB ILE A 114 12.047 5.398 1.068 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.204 6.396 0.981 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.483 5.395 2.491 1.00 0.00 C ATOM 1719 CD1 ILE A 114 12.668 7.815 1.181 1.00 0.00 C ATOM 0 H ILE A 114 12.821 4.713 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 114 13.277 3.676 1.465 1.00 0.00 H new ATOM 0 HB ILE A 114 11.264 5.687 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 114 13.953 6.168 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.697 6.315 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.122 6.393 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.659 4.685 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.266 5.105 3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.491 8.527 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.935 8.040 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.195 7.891 2.160 1.00 0.00 H new ATOM 1731 N ILE A 115 11.219 2.234 1.722 1.00 0.00 N ATOM 1732 CA ILE A 115 10.093 1.261 1.749 1.00 0.00 C ATOM 1733 C ILE A 115 9.186 1.552 2.947 1.00 0.00 C ATOM 1734 O ILE A 115 9.640 1.670 4.068 1.00 0.00 O ATOM 1735 CB ILE A 115 10.650 -0.160 1.865 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.670 -0.401 0.750 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.507 -1.168 1.736 1.00 0.00 C ATOM 1738 CD1 ILE A 115 12.497 -1.647 1.076 1.00 0.00 C ATOM 0 H ILE A 115 11.822 2.224 2.545 1.00 0.00 H new ATOM 0 HA ILE A 115 9.515 1.353 0.829 1.00 0.00 H new ATOM 0 HB ILE A 115 11.135 -0.282 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 115 11.158 -0.530 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.323 0.465 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.903 -2.180 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 115 8.780 -0.997 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.022 -1.046 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 115 13.224 -1.819 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 115 13.020 -1.500 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 115 11.837 -2.511 1.157 1.00 0.00 H new ATOM 1750 N LYS A 116 7.906 1.664 2.718 1.00 0.00 N ATOM 1751 CA LYS A 116 6.968 1.943 3.842 1.00 0.00 C ATOM 1752 C LYS A 116 5.974 0.788 3.966 1.00 0.00 C ATOM 1753 O LYS A 116 5.328 0.409 3.008 1.00 0.00 O ATOM 1754 CB LYS A 116 6.210 3.243 3.565 1.00 0.00 C ATOM 1755 CG LYS A 116 7.186 4.421 3.594 1.00 0.00 C ATOM 1756 CD LYS A 116 6.406 5.732 3.479 1.00 0.00 C ATOM 1757 CE LYS A 116 7.387 6.906 3.436 1.00 0.00 C ATOM 1758 NZ LYS A 116 7.687 7.252 2.018 1.00 0.00 N ATOM 0 H LYS A 116 7.469 1.574 1.801 1.00 0.00 H new ATOM 0 HA LYS A 116 7.529 2.044 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.718 3.189 2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.428 3.386 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.761 4.408 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.899 4.337 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.791 5.724 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.729 5.841 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.961 7.768 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.306 6.645 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.354 8.050 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 8.110 6.430 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.807 7.518 1.532 1.00 0.00 H new ATOM 1772 N THR A 117 5.845 0.221 5.135 1.00 0.00 N ATOM 1773 CA THR A 117 4.893 -0.912 5.309 1.00 0.00 C ATOM 1774 C THR A 117 3.938 -0.611 6.465 1.00 0.00 C ATOM 1775 O THR A 117 4.345 -0.176 7.525 1.00 0.00 O ATOM 1776 CB THR A 117 5.677 -2.191 5.615 1.00 0.00 C ATOM 1777 OG1 THR A 117 6.636 -2.412 4.591 1.00 0.00 O ATOM 1778 CG2 THR A 117 4.714 -3.378 5.681 1.00 0.00 C ATOM 0 H THR A 117 6.356 0.493 5.975 1.00 0.00 H new ATOM 0 HA THR A 117 4.318 -1.045 4.393 1.00 0.00 H new ATOM 0 HB THR A 117 6.186 -2.086 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.140 -3.229 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.273 -4.288 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 117 3.979 -3.207 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.203 -3.486 4.724 1.00 0.00 H new ATOM 1786 N THR A 118 2.668 -0.846 6.271 1.00 0.00 N ATOM 1787 CA THR A 118 1.683 -0.583 7.356 1.00 0.00 C ATOM 1788 C THR A 118 1.025 -1.902 7.765 1.00 0.00 C ATOM 1789 O THR A 118 0.767 -2.757 6.940 1.00 0.00 O ATOM 1790 CB THR A 118 0.613 0.388 6.850 1.00 0.00 C ATOM 1791 OG1 THR A 118 1.240 1.552 6.329 1.00 0.00 O ATOM 1792 CG2 THR A 118 -0.312 0.779 8.003 1.00 0.00 C ATOM 0 H THR A 118 2.271 -1.210 5.405 1.00 0.00 H new ATOM 0 HA THR A 118 2.190 -0.144 8.215 1.00 0.00 H new ATOM 0 HB THR A 118 0.028 -0.093 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.556 2.174 6.003 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.073 1.470 7.641 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.793 -0.114 8.402 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.270 1.260 8.789 1.00 0.00 H new ATOM 1800 N SER A 119 0.757 -2.081 9.029 1.00 0.00 N ATOM 1801 CA SER A 119 0.123 -3.354 9.475 1.00 0.00 C ATOM 1802 C SER A 119 -0.942 -3.066 10.536 1.00 0.00 C ATOM 1803 O SER A 119 -0.833 -2.132 11.306 1.00 0.00 O ATOM 1804 CB SER A 119 1.192 -4.274 10.067 1.00 0.00 C ATOM 1805 OG SER A 119 0.615 -5.534 10.375 1.00 0.00 O ATOM 0 H SER A 119 0.948 -1.405 9.769 1.00 0.00 H new ATOM 0 HA SER A 119 -0.347 -3.837 8.619 1.00 0.00 H new ATOM 0 HB2 SER A 119 2.011 -4.401 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.615 -3.826 10.966 1.00 0.00 H new ATOM 0 HG SER A 119 1.231 -6.249 10.112 1.00 0.00 H new ATOM 1811 N LYS A 120 -1.968 -3.872 10.581 1.00 0.00 N ATOM 1812 CA LYS A 120 -3.044 -3.665 11.590 1.00 0.00 C ATOM 1813 C LYS A 120 -3.424 -5.021 12.191 1.00 0.00 C ATOM 1814 O LYS A 120 -3.655 -5.979 11.482 1.00 0.00 O ATOM 1815 CB LYS A 120 -4.267 -3.043 10.915 1.00 0.00 C ATOM 1816 CG LYS A 120 -5.240 -2.539 11.983 1.00 0.00 C ATOM 1817 CD LYS A 120 -6.501 -1.996 11.309 1.00 0.00 C ATOM 1818 CE LYS A 120 -7.455 -1.451 12.374 1.00 0.00 C ATOM 1819 NZ LYS A 120 -8.711 -0.983 11.724 1.00 0.00 N ATOM 0 H LYS A 120 -2.107 -4.668 9.959 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.692 -2.997 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -3.960 -2.219 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -4.758 -3.780 10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -5.499 -3.349 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -4.769 -1.758 12.580 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.238 -1.208 10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -6.989 -2.785 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.679 -2.226 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.984 -0.629 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -9.359 -0.613 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -8.489 -0.231 11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -9.163 -1.778 11.229 1.00 0.00 H new ATOM 1833 N TYR A 121 -3.481 -5.116 13.491 1.00 0.00 N ATOM 1834 CA TYR A 121 -3.836 -6.417 14.124 1.00 0.00 C ATOM 1835 C TYR A 121 -5.237 -6.336 14.731 1.00 0.00 C ATOM 1836 O TYR A 121 -5.536 -5.458 15.514 1.00 0.00 O ATOM 1837 CB TYR A 121 -2.824 -6.739 15.225 1.00 0.00 C ATOM 1838 CG TYR A 121 -1.436 -6.785 14.635 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -0.791 -5.597 14.269 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -0.792 -8.015 14.454 1.00 0.00 C ATOM 1841 CE1 TYR A 121 0.496 -5.639 13.721 1.00 0.00 C ATOM 1842 CE2 TYR A 121 0.495 -8.056 13.907 1.00 0.00 C ATOM 1843 CZ TYR A 121 1.140 -6.869 13.541 1.00 0.00 C ATOM 1844 OH TYR A 121 2.410 -6.911 13.001 1.00 0.00 O ATOM 0 H TYR A 121 -3.298 -4.351 14.141 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.818 -7.201 13.367 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.872 -5.984 16.010 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.066 -7.696 15.688 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.287 -4.648 14.410 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.288 -8.932 14.736 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.992 -4.723 13.437 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.991 -9.005 13.767 1.00 0.00 H new ATOM 0 HH TYR A 121 2.711 -7.842 12.945 1.00 0.00 H new ATOM 1854 N HIS A 122 -6.097 -7.252 14.378 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.476 -7.235 14.940 1.00 0.00 C ATOM 1856 C HIS A 122 -7.554 -8.219 16.109 1.00 0.00 C ATOM 1857 O HIS A 122 -6.899 -9.243 16.114 1.00 0.00 O ATOM 1858 CB HIS A 122 -8.473 -7.648 13.856 1.00 0.00 C ATOM 1859 CG HIS A 122 -8.483 -6.616 12.763 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -8.648 -6.953 11.428 1.00 0.00 N ATOM 1861 CD2 HIS A 122 -8.350 -5.250 12.790 1.00 0.00 C ATOM 1862 CE1 HIS A 122 -8.609 -5.813 10.715 1.00 0.00 C ATOM 1863 NE2 HIS A 122 -8.429 -4.744 11.495 1.00 0.00 N ATOM 0 H HIS A 122 -5.904 -8.011 13.725 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.718 -6.231 15.290 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.201 -8.622 13.449 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.470 -7.749 14.284 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -8.776 -7.894 11.055 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -8.206 -4.657 13.681 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -8.711 -5.768 9.641 1.00 0.00 H new ATOM 1871 N THR A 123 -8.348 -7.922 17.101 1.00 0.00 N ATOM 1872 CA THR A 123 -8.459 -8.846 18.265 1.00 0.00 C ATOM 1873 C THR A 123 -9.934 -9.139 18.548 1.00 0.00 C ATOM 1874 O THR A 123 -10.814 -8.425 18.111 1.00 0.00 O ATOM 1875 CB THR A 123 -7.821 -8.197 19.495 1.00 0.00 C ATOM 1876 OG1 THR A 123 -8.655 -7.145 19.959 1.00 0.00 O ATOM 1877 CG2 THR A 123 -6.447 -7.637 19.124 1.00 0.00 C ATOM 0 H THR A 123 -8.923 -7.082 17.156 1.00 0.00 H new ATOM 0 HA THR A 123 -7.942 -9.778 18.038 1.00 0.00 H new ATOM 0 HB THR A 123 -7.705 -8.943 20.281 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.249 -6.729 20.748 1.00 0.00 H new ATOM 0 HG21 THR A 123 -5.994 -7.175 20.001 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.808 -8.446 18.769 1.00 0.00 H new ATOM 0 HG23 THR A 123 -6.559 -6.891 18.337 1.00 0.00 H new ATOM 2169 N ALA A 142 11.308 -7.262 10.088 1.00 0.00 N ATOM 2170 CA ALA A 142 12.412 -6.395 9.591 1.00 0.00 C ATOM 2171 C ALA A 142 13.674 -7.238 9.398 1.00 0.00 C ATOM 2172 O ALA A 142 14.374 -7.109 8.413 1.00 0.00 O ATOM 2173 CB ALA A 142 12.690 -5.288 10.611 1.00 0.00 C ATOM 0 HA ALA A 142 12.123 -5.949 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 142 13.498 -4.653 10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 142 11.791 -4.687 10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 142 12.979 -5.734 11.563 1.00 0.00 H new ATOM 2179 N HIS A 143 13.969 -8.103 10.330 1.00 0.00 N ATOM 2180 CA HIS A 143 15.185 -8.954 10.198 1.00 0.00 C ATOM 2181 C HIS A 143 15.114 -9.742 8.889 1.00 0.00 C ATOM 2182 O HIS A 143 16.040 -9.741 8.102 1.00 0.00 O ATOM 2183 CB HIS A 143 15.257 -9.927 11.377 1.00 0.00 C ATOM 2184 CG HIS A 143 15.549 -9.164 12.639 1.00 0.00 C ATOM 2185 ND1 HIS A 143 16.697 -8.402 12.794 1.00 0.00 N ATOM 2186 CD2 HIS A 143 14.852 -9.034 13.815 1.00 0.00 C ATOM 2187 CE1 HIS A 143 16.657 -7.853 14.021 1.00 0.00 C ATOM 2188 NE2 HIS A 143 15.554 -8.205 14.687 1.00 0.00 N ATOM 0 H HIS A 143 13.421 -8.257 11.176 1.00 0.00 H new ATOM 0 HA HIS A 143 16.073 -8.322 10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.315 -10.466 11.475 1.00 0.00 H new ATOM 0 HB3 HIS A 143 16.034 -10.671 11.201 1.00 0.00 H new ATOM 0 HD2 HIS A 143 13.904 -9.503 14.031 1.00 0.00 H new ATOM 0 HE1 HIS A 143 17.424 -7.206 14.420 1.00 0.00 H new ATOM 0 HE2 HIS A 143 15.284 -7.927 15.630 1.00 0.00 H new ATOM 2196 N LEU A 144 14.021 -10.413 8.647 1.00 0.00 N ATOM 2197 CA LEU A 144 13.892 -11.198 7.389 1.00 0.00 C ATOM 2198 C LEU A 144 13.976 -10.250 6.191 1.00 0.00 C ATOM 2199 O LEU A 144 14.691 -10.496 5.240 1.00 0.00 O ATOM 2200 CB LEU A 144 12.546 -11.923 7.374 1.00 0.00 C ATOM 2201 CG LEU A 144 12.457 -12.858 8.582 1.00 0.00 C ATOM 2202 CD1 LEU A 144 11.172 -13.684 8.494 1.00 0.00 C ATOM 2203 CD2 LEU A 144 13.667 -13.795 8.590 1.00 0.00 C ATOM 0 H LEU A 144 13.212 -10.451 9.267 1.00 0.00 H new ATOM 0 HA LEU A 144 14.697 -11.931 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.731 -11.200 7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 144 12.438 -12.493 6.451 1.00 0.00 H new ATOM 0 HG LEU A 144 12.447 -12.269 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 144 11.108 -14.350 9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.310 -13.017 8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.181 -14.274 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 144 13.605 -14.462 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 144 13.676 -14.385 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 144 14.582 -13.207 8.652 1.00 0.00 H new ATOM 2215 N PHE A 145 13.252 -9.165 6.231 1.00 0.00 N ATOM 2216 CA PHE A 145 13.293 -8.201 5.097 1.00 0.00 C ATOM 2217 C PHE A 145 14.746 -7.816 4.815 1.00 0.00 C ATOM 2218 O PHE A 145 15.174 -7.751 3.680 1.00 0.00 O ATOM 2219 CB PHE A 145 12.495 -6.948 5.459 1.00 0.00 C ATOM 2220 CG PHE A 145 12.302 -6.100 4.225 1.00 0.00 C ATOM 2221 CD1 PHE A 145 11.273 -6.398 3.324 1.00 0.00 C ATOM 2222 CD2 PHE A 145 13.154 -5.015 3.982 1.00 0.00 C ATOM 2223 CE1 PHE A 145 11.095 -5.612 2.180 1.00 0.00 C ATOM 2224 CE2 PHE A 145 12.976 -4.230 2.837 1.00 0.00 C ATOM 2225 CZ PHE A 145 11.946 -4.527 1.936 1.00 0.00 C ATOM 0 H PHE A 145 12.634 -8.905 7.000 1.00 0.00 H new ATOM 0 HA PHE A 145 12.857 -8.662 4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 145 11.528 -7.228 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.020 -6.379 6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.616 -7.235 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 145 13.947 -4.784 4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.301 -5.842 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 145 13.634 -3.394 2.648 1.00 0.00 H new ATOM 0 HZ PHE A 145 11.808 -3.920 1.054 1.00 0.00 H new ATOM 2235 N LYS A 146 15.511 -7.565 5.843 1.00 0.00 N ATOM 2236 CA LYS A 146 16.937 -7.188 5.634 1.00 0.00 C ATOM 2237 C LYS A 146 17.627 -8.265 4.795 1.00 0.00 C ATOM 2238 O LYS A 146 18.376 -7.972 3.884 1.00 0.00 O ATOM 2239 CB LYS A 146 17.637 -7.071 6.989 1.00 0.00 C ATOM 2240 CG LYS A 146 19.043 -6.503 6.788 1.00 0.00 C ATOM 2241 CD LYS A 146 19.742 -6.383 8.145 1.00 0.00 C ATOM 2242 CE LYS A 146 21.093 -5.689 7.963 1.00 0.00 C ATOM 2243 NZ LYS A 146 21.587 -5.211 9.285 1.00 0.00 N ATOM 0 H LYS A 146 15.210 -7.605 6.817 1.00 0.00 H new ATOM 0 HA LYS A 146 16.990 -6.231 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.063 -6.424 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.693 -8.049 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 146 19.618 -7.151 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 146 18.987 -5.526 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 146 19.120 -5.816 8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 146 19.885 -7.372 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 146 21.812 -6.379 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 146 20.993 -4.850 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 22.506 -4.739 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 20.904 -4.539 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 21.697 -6.021 9.928 1.00 0.00 H new ATOM 2257 N LEU A 147 17.376 -9.512 5.091 1.00 0.00 N ATOM 2258 CA LEU A 147 18.014 -10.606 4.306 1.00 0.00 C ATOM 2259 C LEU A 147 17.669 -10.432 2.826 1.00 0.00 C ATOM 2260 O LEU A 147 18.518 -10.542 1.964 1.00 0.00 O ATOM 2261 CB LEU A 147 17.493 -11.957 4.799 1.00 0.00 C ATOM 2262 CG LEU A 147 17.790 -12.103 6.293 1.00 0.00 C ATOM 2263 CD1 LEU A 147 17.368 -13.497 6.764 1.00 0.00 C ATOM 2264 CD2 LEU A 147 19.288 -11.916 6.535 1.00 0.00 C ATOM 0 H LEU A 147 16.757 -9.819 5.842 1.00 0.00 H new ATOM 0 HA LEU A 147 19.096 -10.568 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.420 -12.032 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.966 -12.766 4.242 1.00 0.00 H new ATOM 0 HG LEU A 147 17.234 -11.348 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 147 17.580 -13.601 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 147 16.300 -13.632 6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 147 17.923 -14.252 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 147 19.500 -12.020 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 147 19.843 -12.671 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 147 19.590 -10.924 6.200 1.00 0.00 H new ATOM 2276 N ILE A 148 16.429 -10.157 2.525 1.00 0.00 N ATOM 2277 CA ILE A 148 16.032 -9.971 1.101 1.00 0.00 C ATOM 2278 C ILE A 148 16.933 -8.916 0.459 1.00 0.00 C ATOM 2279 O ILE A 148 17.521 -9.138 -0.580 1.00 0.00 O ATOM 2280 CB ILE A 148 14.574 -9.513 1.033 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.672 -10.589 1.642 1.00 0.00 C ATOM 2282 CG2 ILE A 148 14.178 -9.283 -0.426 1.00 0.00 C ATOM 2283 CD1 ILE A 148 12.238 -10.062 1.730 1.00 0.00 C ATOM 0 H ILE A 148 15.674 -10.053 3.203 1.00 0.00 H new ATOM 0 HA ILE A 148 16.138 -10.914 0.565 1.00 0.00 H new ATOM 0 HB ILE A 148 14.460 -8.584 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.702 -11.492 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 148 14.032 -10.862 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 148 13.139 -8.957 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 148 14.820 -8.516 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 148 14.293 -10.212 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 148 11.595 -10.828 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 148 12.216 -9.171 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 148 11.881 -9.811 0.731 1.00 0.00 H new ATOM 2295 N GLU A 149 17.051 -7.768 1.070 1.00 0.00 N ATOM 2296 CA GLU A 149 17.919 -6.704 0.491 1.00 0.00 C ATOM 2297 C GLU A 149 19.320 -7.269 0.257 1.00 0.00 C ATOM 2298 O GLU A 149 19.941 -7.017 -0.756 1.00 0.00 O ATOM 2299 CB GLU A 149 17.999 -5.523 1.460 1.00 0.00 C ATOM 2300 CG GLU A 149 18.830 -4.403 0.829 1.00 0.00 C ATOM 2301 CD GLU A 149 19.028 -3.278 1.846 1.00 0.00 C ATOM 2302 OE1 GLU A 149 18.576 -3.435 2.969 1.00 0.00 O ATOM 2303 OE2 GLU A 149 19.627 -2.279 1.486 1.00 0.00 O ATOM 0 H GLU A 149 16.585 -7.522 1.943 1.00 0.00 H new ATOM 0 HA GLU A 149 17.498 -6.365 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.998 -5.161 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 149 18.450 -5.840 2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 149 19.797 -4.790 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 149 18.328 -4.020 -0.059 1.00 0.00 H new ATOM 2310 N GLY A 150 19.822 -8.037 1.185 1.00 0.00 N ATOM 2311 CA GLY A 150 21.180 -8.623 1.011 1.00 0.00 C ATOM 2312 C GLY A 150 21.096 -9.809 0.049 1.00 0.00 C ATOM 2313 O GLY A 150 22.067 -10.185 -0.579 1.00 0.00 O ATOM 0 H GLY A 150 19.350 -8.284 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 150 21.866 -7.871 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.575 -8.947 1.974 1.00 0.00 H new ATOM 2317 N TYR A 151 19.939 -10.401 -0.074 1.00 0.00 N ATOM 2318 CA TYR A 151 19.787 -11.561 -0.997 1.00 0.00 C ATOM 2319 C TYR A 151 20.055 -11.105 -2.432 1.00 0.00 C ATOM 2320 O TYR A 151 20.765 -11.750 -3.177 1.00 0.00 O ATOM 2321 CB TYR A 151 18.363 -12.110 -0.894 1.00 0.00 C ATOM 2322 CG TYR A 151 18.226 -13.323 -1.782 1.00 0.00 C ATOM 2323 CD1 TYR A 151 18.550 -14.592 -1.289 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.775 -13.179 -3.100 1.00 0.00 C ATOM 2325 CE1 TYR A 151 18.423 -15.717 -2.111 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.648 -14.304 -3.923 1.00 0.00 C ATOM 2327 CZ TYR A 151 17.972 -15.574 -3.428 1.00 0.00 C ATOM 2328 OH TYR A 151 17.846 -16.683 -4.240 1.00 0.00 O ATOM 0 H TYR A 151 19.092 -10.131 0.426 1.00 0.00 H new ATOM 0 HA TYR A 151 20.498 -12.341 -0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 151 18.138 -12.375 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 151 17.645 -11.346 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 151 18.898 -14.703 -0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 151 17.525 -12.200 -3.481 1.00 0.00 H new ATOM 0 HE1 TYR A 151 18.673 -16.696 -1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 151 17.300 -14.193 -4.939 1.00 0.00 H new ATOM 0 HH TYR A 151 17.520 -16.407 -5.122 1.00 0.00 H new ATOM 2338 N LEU A 152 19.494 -9.994 -2.825 1.00 0.00 N ATOM 2339 CA LEU A 152 19.719 -9.497 -4.210 1.00 0.00 C ATOM 2340 C LEU A 152 21.126 -8.906 -4.314 1.00 0.00 C ATOM 2341 O LEU A 152 21.830 -9.125 -5.280 1.00 0.00 O ATOM 2342 CB LEU A 152 18.684 -8.421 -4.545 1.00 0.00 C ATOM 2343 CG LEU A 152 17.297 -9.063 -4.637 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.820 -9.443 -3.235 1.00 0.00 C ATOM 2345 CD2 LEU A 152 16.314 -8.069 -5.259 1.00 0.00 C ATOM 0 H LEU A 152 18.890 -9.410 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 152 19.618 -10.323 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 152 18.688 -7.645 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 152 18.937 -7.938 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 152 17.350 -9.957 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.833 -9.900 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 152 17.520 -10.151 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 152 16.767 -8.549 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 152 15.327 -8.526 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 152 16.259 -7.175 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 152 16.655 -7.797 -6.258 1.00 0.00 H new