USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1124 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: B 17 HIS :FLIP no HD1:sc= -4.21! C(o=-8.9!,f=-5.5!) USER MOD Set 1.2: B 58 THR OG1 : rot 165:sc= -1.33 USER MOD Set 2.1: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 21 GLN :FLIP amide:sc= -0.391 F(o=-3.7!,f=-0.39) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -0.383 F(o=-3.7!,f=-0.38) USER MOD Set 4.1: A 17 HIS :FLIP no HD1:sc= -4.11! C(o=-9.4!,f=-5.2!) USER MOD Set 4.2: A 58 THR OG1 : rot 155:sc= -1.11 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.28 K(o=-2.3,f=-4.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 7 SER OG : rot 130:sc= -0.653 USER MOD Single : A 8 SER OG : rot -28:sc= -1.03! USER MOD Single : A 10 GLN : amide:sc= -1.7 K(o=-1.7,f=-4!) USER MOD Single : A 13 CYS SG : rot -141:sc= -1.15 USER MOD Single : A 25 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4!) USER MOD Single : A 40 GLN :FLIP amide:sc= -4.12! C(o=-6.5!,f=-4.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 94:sc= 0.404 USER MOD Single : A 53 ASN : amide:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.0074) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.183 F(o=-1.8,f=-0.18) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.015) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -1.77 (180deg=-3.79) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -2.21 K(o=-2.2,f=-4!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.372 USER MOD Single : B 7 SER OG : rot 120:sc= -0.726 USER MOD Single : B 8 SER OG : rot -36:sc= -1.12! USER MOD Single : B 10 GLN : amide:sc= -2.46 K(o=-2.5,f=-4.5!) USER MOD Single : B 13 CYS SG : rot -143:sc= -0.562 USER MOD Single : B 25 GLN : amide:sc= -1.85! C(o=-1.9!,f=-3.2!) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.91! C(o=-6.3!,f=-3.9!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 92:sc= 0.285 USER MOD Single : B 53 ASN : amide:sc= -0.0255 X(o=-0.026,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.026) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.161 F(o=-1.8,f=-0.16) USER MOD Single : B 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD Single : B 70 LYS NZ :NH3+ 149:sc= -2.01 (180deg=-4) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.517 8.000 17.787 1.00 0.00 N ATOM 31 CA SER A 3 -6.125 7.924 18.196 1.00 0.00 C ATOM 32 C SER A 3 -5.335 7.127 17.155 1.00 0.00 C ATOM 33 O SER A 3 -4.880 7.731 16.172 1.00 0.00 O ATOM 34 CB SER A 3 -5.980 7.282 19.577 1.00 0.00 C ATOM 35 OG SER A 3 -5.930 8.257 20.615 1.00 0.00 O ATOM 0 HA SER A 3 -5.729 8.937 18.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.818 6.607 19.753 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.073 6.678 19.603 1.00 0.00 H new ATOM 0 HG SER A 3 -5.839 7.808 21.481 1.00 0.00 H new ATOM 41 N ASN A 4 -5.191 5.810 17.387 1.00 0.00 N ATOM 42 CA ASN A 4 -4.464 4.943 16.476 1.00 0.00 C ATOM 43 C ASN A 4 -5.293 4.731 15.208 1.00 0.00 C ATOM 44 O ASN A 4 -4.717 4.333 14.186 1.00 0.00 O ATOM 45 CB ASN A 4 -4.205 3.573 17.107 1.00 0.00 C ATOM 46 CG ASN A 4 -2.706 3.279 17.185 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.867 4.142 16.984 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.417 2.017 17.487 1.00 0.00 N ATOM 0 H ASN A 4 -5.574 5.333 18.203 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.511 5.420 16.246 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.638 3.542 18.107 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.701 2.799 16.521 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.444 1.721 17.563 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.168 1.345 17.643 1.00 0.00 H new ATOM 55 N THR A 5 -6.609 4.996 15.299 1.00 0.00 N ATOM 56 CA THR A 5 -7.506 4.835 14.168 1.00 0.00 C ATOM 57 C THR A 5 -7.191 5.901 13.116 1.00 0.00 C ATOM 58 O THR A 5 -6.818 5.529 11.994 1.00 0.00 O ATOM 59 CB THR A 5 -8.948 4.891 14.676 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.098 3.690 15.429 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.973 4.755 13.548 1.00 0.00 C ATOM 0 H THR A 5 -7.064 5.323 16.151 1.00 0.00 H new ATOM 0 HA THR A 5 -7.370 3.868 13.683 1.00 0.00 H new ATOM 0 HB THR A 5 -9.111 5.832 15.202 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.005 3.646 15.797 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.980 4.801 13.964 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.838 5.567 12.834 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.833 3.800 13.042 1.00 0.00 H new ATOM 69 N VAL A 6 -7.344 7.182 13.493 1.00 0.00 N ATOM 70 CA VAL A 6 -7.078 8.288 12.589 1.00 0.00 C ATOM 71 C VAL A 6 -5.784 8.012 11.819 1.00 0.00 C ATOM 72 O VAL A 6 -5.755 8.264 10.606 1.00 0.00 O ATOM 73 CB VAL A 6 -7.039 9.605 13.368 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.452 10.127 13.632 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.261 9.444 14.676 1.00 0.00 C ATOM 0 H VAL A 6 -7.652 7.466 14.423 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.880 8.382 11.857 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.518 10.342 12.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.396 11.064 14.187 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.960 10.297 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.008 9.393 14.215 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.248 10.394 15.211 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.742 8.686 15.294 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.238 9.138 14.456 1.00 0.00 H new ATOM 85 N SER A 7 -4.758 7.507 12.528 1.00 0.00 N ATOM 86 CA SER A 7 -3.477 7.200 11.915 1.00 0.00 C ATOM 87 C SER A 7 -3.700 6.289 10.707 1.00 0.00 C ATOM 88 O SER A 7 -3.302 6.673 9.596 1.00 0.00 O ATOM 89 CB SER A 7 -2.524 6.537 12.912 1.00 0.00 C ATOM 90 OG SER A 7 -1.296 6.151 12.300 1.00 0.00 O ATOM 0 H SER A 7 -4.803 7.307 13.527 1.00 0.00 H new ATOM 0 HA SER A 7 -3.015 8.133 11.591 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.320 7.226 13.732 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.005 5.660 13.345 1.00 0.00 H new ATOM 0 HG SER A 7 -0.545 6.484 12.835 1.00 0.00 H new ATOM 96 N SER A 8 -4.319 5.119 10.941 1.00 0.00 N ATOM 97 CA SER A 8 -4.590 4.165 9.879 1.00 0.00 C ATOM 98 C SER A 8 -5.288 4.882 8.721 1.00 0.00 C ATOM 99 O SER A 8 -5.000 4.549 7.561 1.00 0.00 O ATOM 100 CB SER A 8 -5.449 3.001 10.377 1.00 0.00 C ATOM 101 OG SER A 8 -4.844 1.739 10.112 1.00 0.00 O ATOM 0 H SER A 8 -4.638 4.821 11.863 1.00 0.00 H new ATOM 0 HA SER A 8 -3.642 3.750 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.614 3.106 11.449 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.427 3.042 9.898 1.00 0.00 H new ATOM 0 HG SER A 8 -4.270 1.811 9.321 1.00 0.00 H new ATOM 107 N PHE A 9 -6.176 5.835 9.051 1.00 0.00 N ATOM 108 CA PHE A 9 -6.905 6.590 8.046 1.00 0.00 C ATOM 109 C PHE A 9 -5.910 7.300 7.125 1.00 0.00 C ATOM 110 O PHE A 9 -5.923 7.023 5.917 1.00 0.00 O ATOM 111 CB PHE A 9 -7.827 7.609 8.744 1.00 0.00 C ATOM 112 CG PHE A 9 -9.294 7.515 8.347 1.00 0.00 C ATOM 113 CD1 PHE A 9 -10.068 6.396 8.733 1.00 0.00 C ATOM 114 CD2 PHE A 9 -9.888 8.546 7.584 1.00 0.00 C ATOM 115 CE1 PHE A 9 -11.427 6.310 8.359 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.247 8.459 7.211 1.00 0.00 C ATOM 117 CZ PHE A 9 -12.016 7.342 7.599 1.00 0.00 C ATOM 0 H PHE A 9 -6.399 6.093 10.012 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.518 5.919 7.445 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.747 7.472 9.822 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.468 8.614 8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.619 5.605 9.315 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.301 9.402 7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -12.015 5.454 8.655 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.698 9.248 6.628 1.00 0.00 H new ATOM 0 HZ PHE A 9 -13.056 7.277 7.314 1.00 0.00 H new ATOM 127 N GLN A 10 -5.082 8.186 7.705 1.00 0.00 N ATOM 128 CA GLN A 10 -4.091 8.927 6.942 1.00 0.00 C ATOM 129 C GLN A 10 -3.306 7.957 6.057 1.00 0.00 C ATOM 130 O GLN A 10 -3.326 8.131 4.829 1.00 0.00 O ATOM 131 CB GLN A 10 -3.153 9.717 7.857 1.00 0.00 C ATOM 132 CG GLN A 10 -3.826 10.993 8.363 1.00 0.00 C ATOM 133 CD GLN A 10 -3.756 11.082 9.888 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.826 10.613 10.522 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.792 11.709 10.442 1.00 0.00 N ATOM 0 H GLN A 10 -5.088 8.399 8.702 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.605 9.653 6.312 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.858 9.097 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.242 9.972 7.316 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.341 11.864 7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.867 11.011 8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.538 12.079 9.853 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.839 11.819 11.455 1.00 0.00 H new ATOM 144 N VAL A 11 -2.641 6.972 6.686 1.00 0.00 N ATOM 145 CA VAL A 11 -1.858 5.985 5.960 1.00 0.00 C ATOM 146 C VAL A 11 -2.669 5.474 4.767 1.00 0.00 C ATOM 147 O VAL A 11 -2.235 5.684 3.625 1.00 0.00 O ATOM 148 CB VAL A 11 -1.418 4.867 6.906 1.00 0.00 C ATOM 149 CG1 VAL A 11 -1.120 3.580 6.134 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.211 5.298 7.741 1.00 0.00 C ATOM 0 H VAL A 11 -2.637 6.847 7.698 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.947 6.436 5.565 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.242 4.664 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.809 2.801 6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.017 3.257 5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.321 3.763 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.081 4.485 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.620 5.543 7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.473 6.174 8.334 1.00 0.00 H new ATOM 160 N ASP A 12 -3.813 4.825 5.050 1.00 0.00 N ATOM 161 CA ASP A 12 -4.673 4.291 4.008 1.00 0.00 C ATOM 162 C ASP A 12 -4.701 5.263 2.827 1.00 0.00 C ATOM 163 O ASP A 12 -4.339 4.852 1.715 1.00 0.00 O ATOM 164 CB ASP A 12 -6.108 4.120 4.512 1.00 0.00 C ATOM 165 CG ASP A 12 -6.880 2.960 3.881 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.753 2.687 2.678 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.650 2.314 4.690 1.00 0.00 O ATOM 0 H ASP A 12 -4.154 4.663 5.998 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.277 3.321 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.083 3.975 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.655 5.044 4.327 1.00 0.00 H new ATOM 172 N CYS A 13 -5.121 6.514 3.086 1.00 0.00 N ATOM 173 CA CYS A 13 -5.194 7.533 2.052 1.00 0.00 C ATOM 174 C CYS A 13 -3.899 7.519 1.238 1.00 0.00 C ATOM 175 O CYS A 13 -3.975 7.344 0.013 1.00 0.00 O ATOM 176 CB CYS A 13 -5.476 8.911 2.654 1.00 0.00 C ATOM 177 SG CYS A 13 -7.001 9.703 2.062 1.00 0.00 S ATOM 0 H CYS A 13 -5.414 6.833 4.009 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.026 7.311 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.531 8.814 3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.634 9.567 2.435 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.793 10.975 1.895 1.00 0.00 H new ATOM 183 N PHE A 14 -2.755 7.701 1.922 1.00 0.00 N ATOM 184 CA PHE A 14 -1.459 7.710 1.267 1.00 0.00 C ATOM 185 C PHE A 14 -1.335 6.472 0.377 1.00 0.00 C ATOM 186 O PHE A 14 -0.897 6.614 -0.775 1.00 0.00 O ATOM 187 CB PHE A 14 -0.349 7.728 2.335 1.00 0.00 C ATOM 188 CG PHE A 14 1.066 7.815 1.780 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.584 9.059 1.353 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.873 6.656 1.696 1.00 0.00 C ATOM 191 CE1 PHE A 14 2.897 9.143 0.842 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.185 6.741 1.185 1.00 0.00 C ATOM 193 CZ PHE A 14 3.697 7.985 0.757 1.00 0.00 C ATOM 0 H PHE A 14 -2.715 7.843 2.931 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.358 8.599 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.517 8.575 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.432 6.826 2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.973 9.948 1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.483 5.704 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.289 10.095 0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.798 5.854 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.701 8.050 0.365 1.00 0.00 H new ATOM 203 N LEU A 15 -1.715 5.300 0.917 1.00 0.00 N ATOM 204 CA LEU A 15 -1.647 4.052 0.177 1.00 0.00 C ATOM 205 C LEU A 15 -2.439 4.191 -1.125 1.00 0.00 C ATOM 206 O LEU A 15 -1.997 3.644 -2.145 1.00 0.00 O ATOM 207 CB LEU A 15 -2.104 2.883 1.054 1.00 0.00 C ATOM 208 CG LEU A 15 -1.455 2.787 2.435 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.638 1.390 3.031 1.00 0.00 C ATOM 210 CD2 LEU A 15 0.018 3.198 2.379 1.00 0.00 C ATOM 0 H LEU A 15 -2.072 5.204 1.868 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.616 3.829 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.184 2.954 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.909 1.954 0.518 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.960 3.489 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.167 1.349 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.702 1.173 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.176 0.652 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.455 3.121 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.554 2.540 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.096 4.227 2.028 1.00 0.00 H new ATOM 222 N TRP A 16 -3.576 4.907 -1.064 1.00 0.00 N ATOM 223 CA TRP A 16 -4.418 5.114 -2.229 1.00 0.00 C ATOM 224 C TRP A 16 -3.675 5.988 -3.241 1.00 0.00 C ATOM 225 O TRP A 16 -3.761 5.700 -4.444 1.00 0.00 O ATOM 226 CB TRP A 16 -5.767 5.701 -1.810 1.00 0.00 C ATOM 227 CG TRP A 16 -6.814 5.714 -2.926 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.821 4.852 -3.122 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.917 6.674 -3.998 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.563 5.186 -4.238 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.995 6.329 -4.787 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.124 7.798 -4.292 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.378 7.055 -5.921 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.521 8.513 -5.428 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.604 8.179 -6.233 1.00 0.00 C ATOM 0 H TRP A 16 -3.923 5.348 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.633 4.162 -2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.155 5.128 -0.968 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.614 6.721 -1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.027 4.003 -2.487 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.378 4.686 -4.594 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.276 8.087 -3.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.226 6.763 -6.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.945 9.386 -5.698 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.847 8.783 -7.094 1.00 0.00 H new ATOM 246 N HIS A 17 -2.972 7.022 -2.744 1.00 0.00 N ATOM 247 CA HIS A 17 -2.224 7.926 -3.600 1.00 0.00 C ATOM 248 C HIS A 17 -1.138 7.140 -4.339 1.00 0.00 C ATOM 249 O HIS A 17 -1.086 7.226 -5.575 1.00 0.00 O ATOM 250 CB HIS A 17 -1.661 9.101 -2.797 1.00 0.00 C ATOM 251 CG HIS A 17 -2.683 10.161 -2.462 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.796 10.110 -1.675 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.618 11.449 -2.963 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.378 11.303 -1.692 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -3.649 12.135 -2.491 1.00 0.00 N flip ATOM 0 H HIS A 17 -2.914 7.242 -1.750 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.889 8.361 -4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.229 8.721 -1.871 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.850 9.559 -3.363 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.856 11.831 -3.626 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.280 11.571 -1.161 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.860 13.113 -2.690 1.00 0.00 H new ATOM 263 N VAL A 18 -0.307 6.402 -3.581 1.00 0.00 N ATOM 264 CA VAL A 18 0.765 5.611 -4.161 1.00 0.00 C ATOM 265 C VAL A 18 0.176 4.621 -5.167 1.00 0.00 C ATOM 266 O VAL A 18 0.804 4.394 -6.210 1.00 0.00 O ATOM 267 CB VAL A 18 1.571 4.930 -3.053 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.353 5.958 -2.234 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.664 4.088 -2.154 1.00 0.00 C ATOM 0 H VAL A 18 -0.367 6.345 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 18 1.461 6.251 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 18 2.290 4.260 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.917 5.448 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.041 6.496 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.659 6.664 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.262 3.615 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.089 4.728 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.172 3.320 -2.751 1.00 0.00 H new ATOM 279 N ARG A 19 -1.002 4.059 -4.838 1.00 0.00 N ATOM 280 CA ARG A 19 -1.668 3.102 -5.707 1.00 0.00 C ATOM 281 C ARG A 19 -2.029 3.784 -7.027 1.00 0.00 C ATOM 282 O ARG A 19 -1.629 3.274 -8.084 1.00 0.00 O ATOM 283 CB ARG A 19 -2.939 2.547 -5.063 1.00 0.00 C ATOM 284 CG ARG A 19 -2.632 1.300 -4.231 1.00 0.00 C ATOM 285 CD ARG A 19 -3.921 0.573 -3.838 1.00 0.00 C ATOM 286 NE ARG A 19 -3.731 -0.132 -2.550 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.318 -1.308 -2.237 1.00 0.00 C ATOM 288 NH1 ARG A 19 -5.125 -1.890 -3.134 1.00 0.00 N ATOM 289 NH2 ARG A 19 -4.095 -1.882 -1.047 1.00 0.00 N ATOM 0 H ARG A 19 -1.504 4.259 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.985 2.271 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.392 3.309 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.666 2.302 -5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.990 0.628 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.082 1.583 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.740 1.287 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.198 -0.140 -4.615 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.119 0.297 -1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.288 -1.445 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.576 -2.778 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.479 -1.431 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.541 -2.770 -0.817 1.00 0.00 H new ATOM 303 N LYS A 20 -2.767 4.906 -6.944 1.00 0.00 N ATOM 304 CA LYS A 20 -3.177 5.648 -8.124 1.00 0.00 C ATOM 305 C LYS A 20 -1.951 5.929 -8.995 1.00 0.00 C ATOM 306 O LYS A 20 -2.095 5.954 -10.226 1.00 0.00 O ATOM 307 CB LYS A 20 -3.949 6.906 -7.725 1.00 0.00 C ATOM 308 CG LYS A 20 -3.207 8.169 -8.166 1.00 0.00 C ATOM 309 CD LYS A 20 -3.463 8.468 -9.645 1.00 0.00 C ATOM 310 CE LYS A 20 -2.240 9.119 -10.292 1.00 0.00 C ATOM 311 NZ LYS A 20 -2.282 10.580 -10.119 1.00 0.00 N ATOM 0 H LYS A 20 -3.087 5.310 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.867 5.056 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.941 6.887 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.091 6.922 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.530 9.015 -7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.137 8.045 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.708 7.544 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.325 9.128 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.329 8.720 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.209 8.873 -11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.444 11.007 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.142 10.958 -10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.290 10.809 -9.105 1.00 0.00 H new ATOM 325 N GLN A 21 -0.788 6.134 -8.351 1.00 0.00 N ATOM 326 CA GLN A 21 0.448 6.411 -9.062 1.00 0.00 C ATOM 327 C GLN A 21 0.942 5.129 -9.737 1.00 0.00 C ATOM 328 O GLN A 21 1.522 5.222 -10.828 1.00 0.00 O ATOM 329 CB GLN A 21 1.516 6.986 -8.130 1.00 0.00 C ATOM 330 CG GLN A 21 2.347 8.056 -8.842 1.00 0.00 C ATOM 331 CD GLN A 21 1.701 9.436 -8.702 1.00 0.00 C ATOM 332 OE1 GLN A 21 0.412 9.398 -8.376 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 2.331 10.466 -8.878 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.691 6.110 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 21 0.251 7.166 -9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.041 7.416 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.169 6.186 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.353 8.078 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.446 7.802 -9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.319 10.423 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.869 11.370 -8.776 1.00 0.00 H new ATOM 342 N VAL A 22 0.706 3.976 -9.085 1.00 0.00 N ATOM 343 CA VAL A 22 1.124 2.691 -9.618 1.00 0.00 C ATOM 344 C VAL A 22 0.350 2.402 -10.906 1.00 0.00 C ATOM 345 O VAL A 22 0.992 2.123 -11.930 1.00 0.00 O ATOM 346 CB VAL A 22 0.947 1.602 -8.557 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.519 0.279 -9.196 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.224 1.426 -7.734 1.00 0.00 C ATOM 0 H VAL A 22 0.226 3.921 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 22 2.184 2.709 -9.873 1.00 0.00 H new ATOM 0 HB VAL A 22 0.154 1.919 -7.880 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.400 -0.478 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.428 0.416 -9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.280 -0.045 -9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.071 0.647 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.045 1.142 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.467 2.364 -7.235 1.00 0.00 H new ATOM 358 N VAL A 23 -0.991 2.474 -10.832 1.00 0.00 N ATOM 359 CA VAL A 23 -1.841 2.222 -11.983 1.00 0.00 C ATOM 360 C VAL A 23 -1.617 3.319 -13.026 1.00 0.00 C ATOM 361 O VAL A 23 -1.604 3.001 -14.224 1.00 0.00 O ATOM 362 CB VAL A 23 -3.300 2.106 -11.541 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.136 1.376 -12.595 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.408 1.415 -10.181 1.00 0.00 C ATOM 0 H VAL A 23 -1.500 2.706 -9.979 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.581 1.272 -12.449 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.699 3.115 -11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.170 1.307 -12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.098 1.927 -13.535 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.736 0.373 -12.746 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.456 1.346 -9.890 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.983 0.414 -10.247 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.862 1.993 -9.435 1.00 0.00 H new ATOM 374 N ASP A 24 -1.448 4.569 -12.558 1.00 0.00 N ATOM 375 CA ASP A 24 -1.228 5.700 -13.444 1.00 0.00 C ATOM 376 C ASP A 24 0.153 5.574 -14.091 1.00 0.00 C ATOM 377 O ASP A 24 0.579 6.525 -14.762 1.00 0.00 O ATOM 378 CB ASP A 24 -1.270 7.021 -12.672 1.00 0.00 C ATOM 379 CG ASP A 24 -1.041 8.272 -13.521 1.00 0.00 C ATOM 380 OD1 ASP A 24 -1.975 8.806 -14.137 1.00 0.00 O ATOM 381 OD2 ASP A 24 0.174 8.706 -13.536 1.00 0.00 O ATOM 0 H ASP A 24 -1.462 4.810 -11.567 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.016 5.697 -14.197 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.239 7.106 -12.180 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.515 6.990 -11.886 1.00 0.00 H new ATOM 386 N GLN A 25 0.815 4.422 -13.878 1.00 0.00 N ATOM 387 CA GLN A 25 2.134 4.178 -14.437 1.00 0.00 C ATOM 388 C GLN A 25 2.083 2.936 -15.329 1.00 0.00 C ATOM 389 O GLN A 25 3.138 2.321 -15.544 1.00 0.00 O ATOM 390 CB GLN A 25 3.189 4.022 -13.339 1.00 0.00 C ATOM 391 CG GLN A 25 3.906 5.347 -13.075 1.00 0.00 C ATOM 392 CD GLN A 25 5.424 5.159 -13.084 1.00 0.00 C ATOM 393 OE1 GLN A 25 5.946 4.092 -12.802 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.102 6.252 -13.423 1.00 0.00 N ATOM 0 H GLN A 25 0.447 3.651 -13.320 1.00 0.00 H new ATOM 0 HA GLN A 25 2.425 5.040 -15.037 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.715 3.672 -12.422 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.915 3.264 -13.632 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.622 6.076 -13.834 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.591 5.750 -12.112 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.603 7.113 -13.647 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.121 6.229 -13.459 1.00 0.00 H new ATOM 403 N GLU A 26 0.879 2.598 -15.825 1.00 0.00 N ATOM 404 CA GLU A 26 0.696 1.443 -16.685 1.00 0.00 C ATOM 405 C GLU A 26 1.674 0.342 -16.268 1.00 0.00 C ATOM 406 O GLU A 26 2.272 -0.284 -17.156 1.00 0.00 O ATOM 407 CB GLU A 26 0.876 1.805 -18.159 1.00 0.00 C ATOM 408 CG GLU A 26 2.358 1.835 -18.541 1.00 0.00 C ATOM 409 CD GLU A 26 2.668 3.030 -19.443 1.00 0.00 C ATOM 410 OE1 GLU A 26 1.768 3.293 -20.328 1.00 0.00 O ATOM 411 OE2 GLU A 26 3.723 3.664 -19.292 1.00 0.00 O ATOM 0 H GLU A 26 0.022 3.119 -15.637 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.326 1.081 -16.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.351 1.080 -18.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.427 2.778 -18.355 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.968 1.887 -17.639 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.624 0.910 -19.053 1.00 0.00 H new ATOM 418 N LEU A 27 1.817 0.132 -14.946 1.00 0.00 N ATOM 419 CA LEU A 27 2.714 -0.883 -14.421 1.00 0.00 C ATOM 420 C LEU A 27 1.890 -2.036 -13.842 1.00 0.00 C ATOM 421 O LEU A 27 2.443 -3.134 -13.682 1.00 0.00 O ATOM 422 CB LEU A 27 3.694 -0.266 -13.421 1.00 0.00 C ATOM 423 CG LEU A 27 3.164 -0.060 -12.001 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.324 -1.333 -11.167 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.828 1.148 -11.337 1.00 0.00 C ATOM 0 H LEU A 27 1.316 0.659 -14.231 1.00 0.00 H new ATOM 0 HA LEU A 27 3.328 -1.299 -15.220 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.577 -0.902 -13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.019 0.699 -13.810 1.00 0.00 H new ATOM 0 HG LEU A 27 2.097 0.153 -12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.940 -1.160 -10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.767 -2.146 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.379 -1.601 -11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.433 1.272 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.905 0.990 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.619 2.044 -11.921 1.00 0.00 H new ATOM 437 N GLY A 28 0.606 -1.768 -13.545 1.00 0.00 N ATOM 438 CA GLY A 28 -0.281 -2.775 -12.990 1.00 0.00 C ATOM 439 C GLY A 28 -0.523 -3.868 -14.034 1.00 0.00 C ATOM 440 O GLY A 28 0.285 -3.980 -14.967 1.00 0.00 O ATOM 0 H GLY A 28 0.170 -0.857 -13.685 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.158 -3.206 -12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.227 -2.321 -12.697 1.00 0.00 H new ATOM 444 N ASP A 29 -1.612 -4.637 -13.860 1.00 0.00 N ATOM 445 CA ASP A 29 -1.953 -5.708 -14.781 1.00 0.00 C ATOM 446 C ASP A 29 -3.470 -5.742 -14.978 1.00 0.00 C ATOM 447 O ASP A 29 -3.912 -5.969 -16.113 1.00 0.00 O ATOM 448 CB ASP A 29 -1.518 -7.068 -14.230 1.00 0.00 C ATOM 449 CG ASP A 29 -2.133 -8.278 -14.935 1.00 0.00 C ATOM 450 OD1 ASP A 29 -2.096 -8.386 -16.170 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.676 -9.148 -14.151 1.00 0.00 O ATOM 0 H ASP A 29 -2.266 -4.527 -13.085 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.438 -5.519 -15.723 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.432 -7.140 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.775 -7.114 -13.172 1.00 0.00 H new ATOM 456 N ALA A 30 -4.224 -5.519 -13.887 1.00 0.00 N ATOM 457 CA ALA A 30 -5.675 -5.524 -13.939 1.00 0.00 C ATOM 458 C ALA A 30 -6.235 -5.503 -12.515 1.00 0.00 C ATOM 459 O ALA A 30 -7.234 -4.809 -12.283 1.00 0.00 O ATOM 460 CB ALA A 30 -6.163 -6.828 -14.572 1.00 0.00 C ATOM 0 H ALA A 30 -3.839 -5.334 -12.961 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.001 -4.657 -14.513 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.252 -6.829 -14.610 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.765 -6.913 -15.583 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.820 -7.673 -13.975 1.00 0.00 H new ATOM 466 N PRO A 31 -5.587 -6.252 -11.604 1.00 0.00 N ATOM 467 CA PRO A 31 -5.988 -6.343 -10.210 1.00 0.00 C ATOM 468 C PRO A 31 -5.605 -5.073 -9.446 1.00 0.00 C ATOM 469 O PRO A 31 -6.183 -4.832 -8.377 1.00 0.00 O ATOM 470 CB PRO A 31 -5.293 -7.586 -9.681 1.00 0.00 C ATOM 471 CG PRO A 31 -4.167 -7.883 -10.660 1.00 0.00 C ATOM 472 CD PRO A 31 -4.410 -7.059 -11.913 1.00 0.00 C ATOM 0 HA PRO A 31 -7.068 -6.424 -10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.903 -7.418 -8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.987 -8.424 -9.618 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.202 -7.632 -10.219 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.141 -8.946 -10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.550 -6.431 -12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.584 -7.697 -12.779 1.00 0.00 H new ATOM 480 N PHE A 32 -4.654 -4.301 -10.001 1.00 0.00 N ATOM 481 CA PHE A 32 -4.201 -3.069 -9.376 1.00 0.00 C ATOM 482 C PHE A 32 -5.270 -1.988 -9.555 1.00 0.00 C ATOM 483 O PHE A 32 -5.543 -1.264 -8.587 1.00 0.00 O ATOM 484 CB PHE A 32 -2.870 -2.633 -10.019 1.00 0.00 C ATOM 485 CG PHE A 32 -1.625 -3.049 -9.246 1.00 0.00 C ATOM 486 CD1 PHE A 32 -1.710 -4.026 -8.226 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.377 -2.453 -9.540 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.555 -4.404 -7.510 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.778 -2.833 -8.822 1.00 0.00 C ATOM 490 CZ PHE A 32 0.688 -3.809 -7.807 1.00 0.00 C ATOM 0 H PHE A 32 -4.190 -4.519 -10.883 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.039 -3.226 -8.310 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.814 -3.050 -11.024 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.871 -1.548 -10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.661 -4.483 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.307 -1.705 -10.316 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.623 -5.151 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.730 -2.377 -9.050 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.571 -4.100 -7.258 1.00 0.00 H new ATOM 500 N LEU A 33 -5.842 -1.904 -10.768 1.00 0.00 N ATOM 501 CA LEU A 33 -6.871 -0.920 -11.068 1.00 0.00 C ATOM 502 C LEU A 33 -8.185 -1.347 -10.411 1.00 0.00 C ATOM 503 O LEU A 33 -8.886 -0.476 -9.877 1.00 0.00 O ATOM 504 CB LEU A 33 -6.980 -0.703 -12.578 1.00 0.00 C ATOM 505 CG LEU A 33 -8.025 0.317 -13.035 1.00 0.00 C ATOM 506 CD1 LEU A 33 -8.001 1.562 -12.145 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.841 0.665 -14.513 1.00 0.00 C ATOM 0 H LEU A 33 -5.602 -2.511 -11.552 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.605 0.050 -10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.006 -0.387 -12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.206 -1.660 -13.047 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.012 -0.134 -12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.753 2.271 -12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.217 1.277 -11.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.016 2.025 -12.194 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.596 1.392 -14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.849 1.089 -14.666 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.947 -0.237 -15.115 1.00 0.00 H new ATOM 519 N ASP A 34 -8.485 -2.657 -10.459 1.00 0.00 N ATOM 520 CA ASP A 34 -9.703 -3.190 -9.873 1.00 0.00 C ATOM 521 C ASP A 34 -9.709 -2.901 -8.370 1.00 0.00 C ATOM 522 O ASP A 34 -10.665 -2.271 -7.895 1.00 0.00 O ATOM 523 CB ASP A 34 -9.788 -4.705 -10.063 1.00 0.00 C ATOM 524 CG ASP A 34 -10.009 -5.165 -11.506 1.00 0.00 C ATOM 525 OD1 ASP A 34 -9.800 -4.262 -12.403 1.00 0.00 O ATOM 526 OD2 ASP A 34 -10.361 -6.327 -11.759 1.00 0.00 O ATOM 0 H ASP A 34 -7.891 -3.359 -10.901 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.551 -2.716 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.867 -5.155 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.601 -5.088 -9.447 1.00 0.00 H new ATOM 531 N ARG A 35 -8.659 -3.359 -7.665 1.00 0.00 N ATOM 532 CA ARG A 35 -8.545 -3.151 -6.231 1.00 0.00 C ATOM 533 C ARG A 35 -8.583 -1.651 -5.934 1.00 0.00 C ATOM 534 O ARG A 35 -9.355 -1.244 -5.053 1.00 0.00 O ATOM 535 CB ARG A 35 -7.247 -3.741 -5.678 1.00 0.00 C ATOM 536 CG ARG A 35 -7.443 -5.199 -5.258 1.00 0.00 C ATOM 537 CD ARG A 35 -6.244 -6.055 -5.674 1.00 0.00 C ATOM 538 NE ARG A 35 -4.990 -5.285 -5.505 1.00 0.00 N ATOM 539 CZ ARG A 35 -3.870 -5.779 -4.937 1.00 0.00 C ATOM 540 NH1 ARG A 35 -3.870 -7.043 -4.490 1.00 0.00 N ATOM 541 NH2 ARG A 35 -2.773 -5.018 -4.821 1.00 0.00 N ATOM 0 H ARG A 35 -7.882 -3.875 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.381 -3.657 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.464 -3.679 -6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.912 -3.154 -4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.577 -5.255 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.352 -5.593 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.208 -6.962 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.352 -6.367 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.972 -4.321 -5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.709 -7.616 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.031 -7.431 -4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.780 -4.057 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.931 -5.400 -4.390 1.00 0.00 H new ATOM 555 N LEU A 36 -7.762 -0.871 -6.660 1.00 0.00 N ATOM 556 CA LEU A 36 -7.703 0.569 -6.475 1.00 0.00 C ATOM 557 C LEU A 36 -9.104 1.159 -6.647 1.00 0.00 C ATOM 558 O LEU A 36 -9.454 2.078 -5.893 1.00 0.00 O ATOM 559 CB LEU A 36 -6.657 1.186 -7.406 1.00 0.00 C ATOM 560 CG LEU A 36 -6.722 2.705 -7.574 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.452 3.415 -6.246 1.00 0.00 C ATOM 562 CD2 LEU A 36 -5.774 3.176 -8.679 1.00 0.00 C ATOM 0 H LEU A 36 -7.133 -1.226 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.378 0.810 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.667 0.924 -7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.759 0.727 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.733 2.972 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.504 4.494 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.200 3.112 -5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.460 3.146 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.840 4.260 -8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.752 2.896 -8.425 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.054 2.708 -9.623 1.00 0.00 H new ATOM 574 N ARG A 37 -9.865 0.628 -7.622 1.00 0.00 N ATOM 575 CA ARG A 37 -11.214 1.099 -7.888 1.00 0.00 C ATOM 576 C ARG A 37 -12.072 0.909 -6.635 1.00 0.00 C ATOM 577 O ARG A 37 -12.632 1.901 -6.147 1.00 0.00 O ATOM 578 CB ARG A 37 -11.854 0.347 -9.055 1.00 0.00 C ATOM 579 CG ARG A 37 -12.177 1.298 -10.209 1.00 0.00 C ATOM 580 CD ARG A 37 -12.252 0.542 -11.538 1.00 0.00 C ATOM 581 NE ARG A 37 -13.589 -0.072 -11.695 1.00 0.00 N ATOM 582 CZ ARG A 37 -13.803 -1.285 -12.249 1.00 0.00 C ATOM 583 NH1 ARG A 37 -12.755 -1.993 -12.689 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.048 -1.773 -12.356 1.00 0.00 N ATOM 0 H ARG A 37 -9.557 -0.128 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.157 2.154 -8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.179 -0.435 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.766 -0.145 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.126 1.799 -10.017 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.414 2.074 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.056 1.224 -12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.482 -0.229 -11.571 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.399 0.453 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.812 -1.615 -12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.900 -2.911 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.841 -1.227 -12.018 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.202 -2.690 -12.776 1.00 0.00 H new ATOM 598 N ARG A 38 -12.158 -0.343 -6.149 1.00 0.00 N ATOM 599 CA ARG A 38 -12.942 -0.657 -4.966 1.00 0.00 C ATOM 600 C ARG A 38 -12.380 0.113 -3.768 1.00 0.00 C ATOM 601 O ARG A 38 -13.153 0.420 -2.850 1.00 0.00 O ATOM 602 CB ARG A 38 -12.918 -2.155 -4.655 1.00 0.00 C ATOM 603 CG ARG A 38 -13.313 -2.975 -5.886 1.00 0.00 C ATOM 604 CD ARG A 38 -14.036 -4.260 -5.479 1.00 0.00 C ATOM 605 NE ARG A 38 -15.461 -4.187 -5.875 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.240 -5.266 -6.098 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.712 -6.490 -5.959 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.523 -5.116 -6.455 1.00 0.00 N ATOM 0 H ARG A 38 -11.689 -1.147 -6.566 1.00 0.00 H new ATOM 0 HA ARG A 38 -13.975 -0.366 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.921 -2.446 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.602 -2.371 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.958 -2.380 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.423 -3.222 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.562 -5.119 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.956 -4.406 -4.402 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.880 -3.264 -5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.734 -6.596 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.288 -7.316 -6.124 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -17.917 -4.181 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.105 -5.937 -6.622 1.00 0.00 H new ATOM 622 N ASP A 39 -11.067 0.405 -3.802 1.00 0.00 N ATOM 623 CA ASP A 39 -10.411 1.131 -2.728 1.00 0.00 C ATOM 624 C ASP A 39 -10.902 2.581 -2.726 1.00 0.00 C ATOM 625 O ASP A 39 -11.060 3.148 -1.635 1.00 0.00 O ATOM 626 CB ASP A 39 -8.894 1.146 -2.918 1.00 0.00 C ATOM 627 CG ASP A 39 -8.080 1.139 -1.623 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.273 0.279 -0.751 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.203 2.081 -1.525 1.00 0.00 O ATOM 0 H ASP A 39 -10.448 0.143 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.651 0.633 -1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.609 0.279 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.624 2.031 -3.494 1.00 0.00 H new ATOM 634 N GLN A 40 -11.128 3.142 -3.927 1.00 0.00 N ATOM 635 CA GLN A 40 -11.595 4.512 -4.062 1.00 0.00 C ATOM 636 C GLN A 40 -12.953 4.653 -3.375 1.00 0.00 C ATOM 637 O GLN A 40 -13.053 5.437 -2.420 1.00 0.00 O ATOM 638 CB GLN A 40 -11.676 4.935 -5.530 1.00 0.00 C ATOM 639 CG GLN A 40 -12.335 6.309 -5.668 1.00 0.00 C ATOM 640 CD GLN A 40 -11.311 7.430 -5.481 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.777 7.477 -4.263 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.024 8.201 -6.381 1.00 0.00 N flip ATOM 0 H GLN A 40 -10.991 2.657 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.878 5.176 -3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.675 4.963 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.245 4.196 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.800 6.396 -6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.130 6.411 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.471 8.109 -7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.336 8.937 -6.222 1.00 0.00 H new ATOM 651 N LYS A 41 -13.958 3.903 -3.865 1.00 0.00 N ATOM 652 CA LYS A 41 -15.296 3.945 -3.301 1.00 0.00 C ATOM 653 C LYS A 41 -15.213 3.756 -1.785 1.00 0.00 C ATOM 654 O LYS A 41 -15.945 4.447 -1.064 1.00 0.00 O ATOM 655 CB LYS A 41 -16.203 2.929 -3.998 1.00 0.00 C ATOM 656 CG LYS A 41 -17.547 3.558 -4.370 1.00 0.00 C ATOM 657 CD LYS A 41 -18.711 2.735 -3.812 1.00 0.00 C ATOM 658 CE LYS A 41 -18.830 2.910 -2.298 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.241 3.058 -1.905 1.00 0.00 N ATOM 0 H LYS A 41 -13.856 3.263 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.752 4.919 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.712 2.554 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.367 2.073 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.597 4.575 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.633 3.627 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.641 3.042 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.563 1.682 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.394 2.049 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.265 3.787 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.304 3.176 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.646 3.893 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.771 2.210 -2.189 1.00 0.00 H new ATOM 673 N SER A 42 -14.336 2.838 -1.340 1.00 0.00 N ATOM 674 CA SER A 42 -14.162 2.563 0.076 1.00 0.00 C ATOM 675 C SER A 42 -13.596 3.806 0.767 1.00 0.00 C ATOM 676 O SER A 42 -14.059 4.130 1.871 1.00 0.00 O ATOM 677 CB SER A 42 -13.239 1.364 0.305 1.00 0.00 C ATOM 678 OG SER A 42 -13.421 0.789 1.596 1.00 0.00 O ATOM 0 H SER A 42 -13.741 2.279 -1.951 1.00 0.00 H new ATOM 0 HA SER A 42 -15.134 2.315 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.429 0.609 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.202 1.678 0.191 1.00 0.00 H new ATOM 0 HG SER A 42 -12.815 0.026 1.703 1.00 0.00 H new ATOM 684 N LEU A 43 -12.623 4.467 0.115 1.00 0.00 N ATOM 685 CA LEU A 43 -12.003 5.662 0.663 1.00 0.00 C ATOM 686 C LEU A 43 -13.061 6.757 0.813 1.00 0.00 C ATOM 687 O LEU A 43 -13.259 7.234 1.941 1.00 0.00 O ATOM 688 CB LEU A 43 -10.802 6.081 -0.189 1.00 0.00 C ATOM 689 CG LEU A 43 -9.807 7.032 0.478 1.00 0.00 C ATOM 690 CD1 LEU A 43 -8.948 6.292 1.507 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.955 7.754 -0.567 1.00 0.00 C ATOM 0 H LEU A 43 -12.256 4.184 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.606 5.463 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.267 5.182 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.174 6.554 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.370 7.794 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.249 6.990 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.590 5.862 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.392 5.496 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.256 8.424 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.400 7.022 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.602 8.332 -1.228 1.00 0.00 H new ATOM 703 N ARG A 44 -13.711 7.125 -0.305 1.00 0.00 N ATOM 704 CA ARG A 44 -14.737 8.154 -0.296 1.00 0.00 C ATOM 705 C ARG A 44 -15.647 7.950 0.918 1.00 0.00 C ATOM 706 O ARG A 44 -15.896 8.927 1.639 1.00 0.00 O ATOM 707 CB ARG A 44 -15.583 8.116 -1.570 1.00 0.00 C ATOM 708 CG ARG A 44 -16.446 9.374 -1.693 1.00 0.00 C ATOM 709 CD ARG A 44 -16.039 10.200 -2.915 1.00 0.00 C ATOM 710 NE ARG A 44 -16.697 9.666 -4.129 1.00 0.00 N ATOM 711 CZ ARG A 44 -17.239 10.435 -5.097 1.00 0.00 C ATOM 712 NH1 ARG A 44 -17.190 11.769 -4.971 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.818 9.874 -6.167 1.00 0.00 N ATOM 0 H ARG A 44 -13.535 6.717 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.243 9.124 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.932 8.030 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.221 7.232 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.496 9.093 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.346 9.978 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.319 11.243 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.956 10.175 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.744 8.653 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.748 12.188 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.595 12.365 -5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.852 8.858 -6.255 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.225 10.463 -6.894 1.00 0.00 H new ATOM 727 N GLY A 45 -16.115 6.705 1.117 1.00 0.00 N ATOM 728 CA GLY A 45 -16.987 6.380 2.233 1.00 0.00 C ATOM 729 C GLY A 45 -16.261 6.679 3.546 1.00 0.00 C ATOM 730 O GLY A 45 -16.867 7.307 4.425 1.00 0.00 O ATOM 0 H GLY A 45 -15.897 5.914 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.907 6.962 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.272 5.329 2.193 1.00 0.00 H new ATOM 734 N ARG A 46 -14.996 6.231 3.650 1.00 0.00 N ATOM 735 CA ARG A 46 -14.198 6.450 4.844 1.00 0.00 C ATOM 736 C ARG A 46 -14.081 7.952 5.107 1.00 0.00 C ATOM 737 O ARG A 46 -14.632 8.419 6.114 1.00 0.00 O ATOM 738 CB ARG A 46 -12.796 5.853 4.703 1.00 0.00 C ATOM 739 CG ARG A 46 -12.809 4.350 4.984 1.00 0.00 C ATOM 740 CD ARG A 46 -11.385 3.794 5.058 1.00 0.00 C ATOM 741 NE ARG A 46 -11.261 2.870 6.207 1.00 0.00 N ATOM 742 CZ ARG A 46 -10.140 2.725 6.945 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.059 3.455 6.634 1.00 0.00 N ATOM 744 NH2 ARG A 46 -10.107 1.867 7.973 1.00 0.00 N ATOM 0 H ARG A 46 -14.515 5.715 2.913 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.696 5.954 5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.419 6.035 3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.114 6.350 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.328 4.156 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.364 3.835 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.141 3.272 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.671 4.612 5.160 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.074 2.307 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.092 4.107 5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.204 3.358 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.934 1.316 8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.255 1.765 8.525 1.00 0.00 H new ATOM 758 N GLY A 47 -13.379 8.667 4.210 1.00 0.00 N ATOM 759 CA GLY A 47 -13.194 10.103 4.345 1.00 0.00 C ATOM 760 C GLY A 47 -14.530 10.753 4.708 1.00 0.00 C ATOM 761 O GLY A 47 -14.649 11.267 5.830 1.00 0.00 O ATOM 0 H GLY A 47 -12.934 8.263 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.452 10.315 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.814 10.522 3.413 1.00 0.00 H new ATOM 765 N SER A 48 -15.493 10.717 3.770 1.00 0.00 N ATOM 766 CA SER A 48 -16.806 11.299 3.991 1.00 0.00 C ATOM 767 C SER A 48 -17.270 10.972 5.412 1.00 0.00 C ATOM 768 O SER A 48 -17.481 11.911 6.194 1.00 0.00 O ATOM 769 CB SER A 48 -17.824 10.789 2.969 1.00 0.00 C ATOM 770 OG SER A 48 -19.071 11.469 3.074 1.00 0.00 O ATOM 0 H SER A 48 -15.375 10.287 2.853 1.00 0.00 H new ATOM 0 HA SER A 48 -16.732 12.379 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.424 10.918 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.980 9.720 3.115 1.00 0.00 H new ATOM 0 HG SER A 48 -19.693 11.116 2.404 1.00 0.00 H new ATOM 776 N THR A 49 -17.419 9.670 5.712 1.00 0.00 N ATOM 777 CA THR A 49 -17.855 9.227 7.026 1.00 0.00 C ATOM 778 C THR A 49 -17.238 10.132 8.095 1.00 0.00 C ATOM 779 O THR A 49 -17.965 10.543 9.010 1.00 0.00 O ATOM 780 CB THR A 49 -17.485 7.752 7.192 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.593 7.051 6.633 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.468 7.313 8.658 1.00 0.00 C ATOM 0 H THR A 49 -17.241 8.912 5.053 1.00 0.00 H new ATOM 0 HA THR A 49 -18.937 9.305 7.137 1.00 0.00 H new ATOM 0 HB THR A 49 -16.506 7.572 6.748 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.412 6.850 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.200 6.258 8.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.736 7.906 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.456 7.462 9.094 1.00 0.00 H new ATOM 790 N LEU A 50 -15.931 10.419 7.959 1.00 0.00 N ATOM 791 CA LEU A 50 -15.228 11.268 8.905 1.00 0.00 C ATOM 792 C LEU A 50 -15.544 12.733 8.604 1.00 0.00 C ATOM 793 O LEU A 50 -16.185 13.383 9.445 1.00 0.00 O ATOM 794 CB LEU A 50 -13.730 10.949 8.900 1.00 0.00 C ATOM 795 CG LEU A 50 -13.115 10.596 10.257 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.651 10.181 10.102 1.00 0.00 C ATOM 797 CD2 LEU A 50 -13.284 11.745 11.251 1.00 0.00 C ATOM 0 H LEU A 50 -15.350 10.069 7.198 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.571 11.070 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.558 10.116 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.197 11.809 8.494 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.651 9.739 10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.237 9.935 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.587 9.309 9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.084 11.003 9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.838 11.468 12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.789 12.636 10.865 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.345 11.951 11.392 1.00 0.00 H new ATOM 809 N GLY A 51 -15.098 13.218 7.432 1.00 0.00 N ATOM 810 CA GLY A 51 -15.333 14.593 7.027 1.00 0.00 C ATOM 811 C GLY A 51 -14.033 15.388 7.159 1.00 0.00 C ATOM 812 O GLY A 51 -14.094 16.626 7.137 1.00 0.00 O ATOM 0 H GLY A 51 -14.572 12.666 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.689 14.625 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.110 15.039 7.647 1.00 0.00 H new ATOM 816 N LEU A 52 -12.901 14.674 7.292 1.00 0.00 N ATOM 817 CA LEU A 52 -11.601 15.309 7.426 1.00 0.00 C ATOM 818 C LEU A 52 -11.204 15.936 6.088 1.00 0.00 C ATOM 819 O LEU A 52 -11.717 17.019 5.768 1.00 0.00 O ATOM 820 CB LEU A 52 -10.572 14.315 7.969 1.00 0.00 C ATOM 821 CG LEU A 52 -10.837 13.776 9.376 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.648 12.960 9.884 1.00 0.00 C ATOM 823 CD2 LEU A 52 -11.207 14.908 10.336 1.00 0.00 C ATOM 0 H LEU A 52 -12.873 13.655 7.308 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.645 16.117 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.515 13.470 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.594 14.796 7.964 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.692 13.102 9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.863 12.589 10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.472 12.118 9.215 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.760 13.591 9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.390 14.498 11.329 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.388 15.626 10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.107 15.409 9.979 1.00 0.00 H new ATOM 835 N ASN A 53 -10.312 15.256 5.346 1.00 0.00 N ATOM 836 CA ASN A 53 -9.854 15.743 4.056 1.00 0.00 C ATOM 837 C ASN A 53 -8.889 14.723 3.445 1.00 0.00 C ATOM 838 O ASN A 53 -7.717 14.706 3.848 1.00 0.00 O ATOM 839 CB ASN A 53 -9.108 17.070 4.202 1.00 0.00 C ATOM 840 CG ASN A 53 -9.750 18.159 3.339 1.00 0.00 C ATOM 841 OD1 ASN A 53 -10.174 19.197 3.818 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.799 17.863 2.044 1.00 0.00 N ATOM 0 H ASN A 53 -9.900 14.367 5.628 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.727 15.888 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.112 17.380 5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.065 16.939 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.210 18.524 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.425 16.975 1.709 1.00 0.00 H new ATOM 849 N ILE A 54 -9.393 13.909 2.501 1.00 0.00 N ATOM 850 CA ILE A 54 -8.582 12.899 1.842 1.00 0.00 C ATOM 851 C ILE A 54 -7.161 13.434 1.655 1.00 0.00 C ATOM 852 O ILE A 54 -6.210 12.706 1.975 1.00 0.00 O ATOM 853 CB ILE A 54 -9.245 12.444 0.541 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.969 11.110 0.731 1.00 0.00 C ATOM 855 CG2 ILE A 54 -8.228 12.388 -0.601 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.953 11.183 1.901 1.00 0.00 C ATOM 0 H ILE A 54 -10.362 13.940 2.184 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.507 12.006 2.463 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.999 13.181 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.503 10.848 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.241 10.319 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.725 12.062 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.799 13.378 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.435 11.684 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.455 10.222 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.412 11.421 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.694 11.958 1.705 1.00 0.00 H new ATOM 868 N GLU A 55 -7.047 14.675 1.149 1.00 0.00 N ATOM 869 CA GLU A 55 -5.754 15.298 0.923 1.00 0.00 C ATOM 870 C GLU A 55 -5.013 15.424 2.255 1.00 0.00 C ATOM 871 O GLU A 55 -3.937 14.824 2.391 1.00 0.00 O ATOM 872 CB GLU A 55 -5.899 16.662 0.245 1.00 0.00 C ATOM 873 CG GLU A 55 -5.036 16.742 -1.016 1.00 0.00 C ATOM 874 CD GLU A 55 -5.054 18.155 -1.604 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.195 19.103 -0.740 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.939 18.318 -2.827 1.00 0.00 O ATOM 0 H GLU A 55 -7.844 15.258 0.892 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.175 14.667 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.944 16.834 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.608 17.450 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.011 16.456 -0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.402 16.031 -1.757 1.00 0.00 H new ATOM 883 N ALA A 56 -5.593 16.190 3.197 1.00 0.00 N ATOM 884 CA ALA A 56 -4.991 16.391 4.505 1.00 0.00 C ATOM 885 C ALA A 56 -4.541 15.041 5.066 1.00 0.00 C ATOM 886 O ALA A 56 -3.335 14.872 5.299 1.00 0.00 O ATOM 887 CB ALA A 56 -6.042 16.932 5.477 1.00 0.00 C ATOM 0 H ALA A 56 -6.480 16.676 3.065 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.155 17.083 4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.589 17.082 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.426 17.882 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.861 16.218 5.562 1.00 0.00 H new ATOM 893 N ALA A 57 -5.502 14.122 5.269 1.00 0.00 N ATOM 894 CA ALA A 57 -5.207 12.802 5.798 1.00 0.00 C ATOM 895 C ALA A 57 -3.989 12.227 5.072 1.00 0.00 C ATOM 896 O ALA A 57 -2.940 12.066 5.714 1.00 0.00 O ATOM 897 CB ALA A 57 -6.370 11.855 5.500 1.00 0.00 C ATOM 0 H ALA A 57 -6.490 14.282 5.070 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.033 12.891 6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.145 10.866 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.278 12.236 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.517 11.787 4.422 1.00 0.00 H new ATOM 903 N THR A 58 -4.148 11.936 3.768 1.00 0.00 N ATOM 904 CA THR A 58 -3.069 11.384 2.966 1.00 0.00 C ATOM 905 C THR A 58 -1.796 12.199 3.203 1.00 0.00 C ATOM 906 O THR A 58 -0.702 11.630 3.083 1.00 0.00 O ATOM 907 CB THR A 58 -3.513 11.362 1.502 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.872 10.208 0.963 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.928 12.523 0.695 1.00 0.00 C ATOM 0 H THR A 58 -5.019 12.078 3.257 1.00 0.00 H new ATOM 0 HA THR A 58 -2.840 10.357 3.252 1.00 0.00 H new ATOM 0 HB THR A 58 -4.601 11.397 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.378 9.885 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.274 12.460 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.253 13.468 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.840 12.469 0.716 1.00 0.00 H new ATOM 917 N HIS A 59 -1.961 13.493 3.529 1.00 0.00 N ATOM 918 CA HIS A 59 -0.832 14.374 3.779 1.00 0.00 C ATOM 919 C HIS A 59 -0.060 13.872 4.999 1.00 0.00 C ATOM 920 O HIS A 59 1.091 13.442 4.833 1.00 0.00 O ATOM 921 CB HIS A 59 -1.294 15.826 3.925 1.00 0.00 C ATOM 922 CG HIS A 59 -0.362 16.833 3.291 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.057 17.979 3.943 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.225 16.852 2.061 1.00 0.00 C ATOM 925 CE1 HIS A 59 0.860 18.651 3.132 1.00 0.00 C ATOM 926 NE2 HIS A 59 0.962 17.951 1.965 1.00 0.00 N ATOM 0 H HIS A 59 -2.872 13.942 3.623 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.154 14.357 2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.283 15.929 3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.398 16.059 4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.110 16.100 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.348 19.588 3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.514 18.227 1.153 1.00 0.00 H new ATOM 934 N VAL A 60 -0.697 13.933 6.183 1.00 0.00 N ATOM 935 CA VAL A 60 -0.073 13.488 7.417 1.00 0.00 C ATOM 936 C VAL A 60 0.518 12.092 7.209 1.00 0.00 C ATOM 937 O VAL A 60 1.619 11.835 7.720 1.00 0.00 O ATOM 938 CB VAL A 60 -1.083 13.544 8.564 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.828 12.424 9.575 1.00 0.00 C ATOM 940 CG2 VAL A 60 -1.062 14.913 9.246 1.00 0.00 C ATOM 0 H VAL A 60 -1.646 14.289 6.298 1.00 0.00 H new ATOM 0 HA VAL A 60 0.747 14.152 7.691 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.077 13.395 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.560 12.487 10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.917 11.458 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.175 12.528 9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.789 14.926 10.058 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.067 15.104 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.315 15.685 8.520 1.00 0.00 H new ATOM 950 N GLY A 61 -0.211 11.231 6.478 1.00 0.00 N ATOM 951 CA GLY A 61 0.238 9.876 6.207 1.00 0.00 C ATOM 952 C GLY A 61 1.573 9.926 5.462 1.00 0.00 C ATOM 953 O GLY A 61 2.491 9.187 5.847 1.00 0.00 O ATOM 0 H GLY A 61 -1.116 11.462 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.350 9.324 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.505 9.347 5.610 1.00 0.00 H new ATOM 957 N LYS A 62 1.654 10.781 4.427 1.00 0.00 N ATOM 958 CA LYS A 62 2.866 10.922 3.638 1.00 0.00 C ATOM 959 C LYS A 62 4.044 11.217 4.568 1.00 0.00 C ATOM 960 O LYS A 62 5.156 10.751 4.277 1.00 0.00 O ATOM 961 CB LYS A 62 2.672 11.972 2.541 1.00 0.00 C ATOM 962 CG LYS A 62 3.971 12.737 2.279 1.00 0.00 C ATOM 963 CD LYS A 62 5.059 11.803 1.747 1.00 0.00 C ATOM 964 CE LYS A 62 6.409 12.106 2.402 1.00 0.00 C ATOM 965 NZ LYS A 62 7.317 12.746 1.436 1.00 0.00 N ATOM 0 H LYS A 62 0.886 11.381 4.126 1.00 0.00 H new ATOM 0 HA LYS A 62 3.093 9.990 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.340 11.487 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.888 12.670 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.788 13.535 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.311 13.210 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.781 10.767 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.142 11.914 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.264 12.759 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.855 11.184 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.228 12.945 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.469 12.109 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.896 13.636 1.101 1.00 0.00 H new ATOM 979 N GLN A 63 3.783 11.969 5.652 1.00 0.00 N ATOM 980 CA GLN A 63 4.814 12.319 6.613 1.00 0.00 C ATOM 981 C GLN A 63 5.151 11.092 7.463 1.00 0.00 C ATOM 982 O GLN A 63 6.339 10.878 7.744 1.00 0.00 O ATOM 983 CB GLN A 63 4.387 13.494 7.494 1.00 0.00 C ATOM 984 CG GLN A 63 4.878 14.822 6.913 1.00 0.00 C ATOM 985 CD GLN A 63 3.970 15.293 5.775 1.00 0.00 C ATOM 986 OE1 GLN A 63 2.673 15.266 6.072 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 4.416 15.656 4.699 1.00 0.00 N flip ATOM 0 H GLN A 63 2.860 12.341 5.874 1.00 0.00 H new ATOM 0 HA GLN A 63 5.704 12.637 6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.301 13.511 7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.786 13.363 8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.905 15.578 7.698 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.898 14.707 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.423 15.652 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.782 15.963 3.962 1.00 0.00 H new ATOM 996 N ILE A 64 4.116 10.324 7.848 1.00 0.00 N ATOM 997 CA ILE A 64 4.301 9.132 8.658 1.00 0.00 C ATOM 998 C ILE A 64 5.187 8.139 7.901 1.00 0.00 C ATOM 999 O ILE A 64 6.051 7.517 8.534 1.00 0.00 O ATOM 1000 CB ILE A 64 2.948 8.553 9.076 1.00 0.00 C ATOM 1001 CG1 ILE A 64 2.726 8.714 10.582 1.00 0.00 C ATOM 1002 CG2 ILE A 64 2.813 7.095 8.630 1.00 0.00 C ATOM 1003 CD1 ILE A 64 3.669 7.809 11.376 1.00 0.00 C ATOM 0 H ILE A 64 3.145 10.518 7.604 1.00 0.00 H new ATOM 0 HA ILE A 64 4.817 9.378 9.586 1.00 0.00 H new ATOM 0 HB ILE A 64 2.164 9.118 8.571 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.888 9.753 10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.692 8.473 10.828 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.842 6.708 8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.897 7.037 7.545 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.603 6.500 9.087 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.490 7.943 12.443 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.488 6.769 11.106 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.702 8.069 11.146 1.00 0.00 H new ATOM 1015 N VAL A 65 4.959 8.013 6.581 1.00 0.00 N ATOM 1016 CA VAL A 65 5.730 7.106 5.749 1.00 0.00 C ATOM 1017 C VAL A 65 7.157 7.638 5.608 1.00 0.00 C ATOM 1018 O VAL A 65 8.099 6.852 5.785 1.00 0.00 O ATOM 1019 CB VAL A 65 5.030 6.907 4.403 1.00 0.00 C ATOM 1020 CG1 VAL A 65 5.945 6.186 3.410 1.00 0.00 C ATOM 1021 CG2 VAL A 65 3.709 6.155 4.577 1.00 0.00 C ATOM 0 H VAL A 65 4.242 8.535 6.078 1.00 0.00 H new ATOM 0 HA VAL A 65 5.795 6.123 6.215 1.00 0.00 H new ATOM 0 HB VAL A 65 4.803 7.892 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.423 6.057 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.847 6.777 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.218 5.209 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.232 6.027 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.902 5.177 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.050 6.724 5.232 1.00 0.00 H new ATOM 1031 N GLU A 66 7.286 8.941 5.299 1.00 0.00 N ATOM 1032 CA GLU A 66 8.586 9.568 5.136 1.00 0.00 C ATOM 1033 C GLU A 66 9.407 9.369 6.413 1.00 0.00 C ATOM 1034 O GLU A 66 10.637 9.257 6.311 1.00 0.00 O ATOM 1035 CB GLU A 66 8.454 11.054 4.797 1.00 0.00 C ATOM 1036 CG GLU A 66 9.078 11.925 5.889 1.00 0.00 C ATOM 1037 CD GLU A 66 8.980 13.409 5.530 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.667 13.767 4.499 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.277 14.167 6.215 1.00 0.00 O ATOM 0 H GLU A 66 6.496 9.571 5.159 1.00 0.00 H new ATOM 0 HA GLU A 66 9.100 9.095 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.940 11.257 3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.401 11.311 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.573 11.743 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.123 11.649 6.026 1.00 0.00 H new ATOM 1046 N LYS A 67 8.722 9.330 7.569 1.00 0.00 N ATOM 1047 CA LYS A 67 9.382 9.146 8.850 1.00 0.00 C ATOM 1048 C LYS A 67 9.869 7.701 8.965 1.00 0.00 C ATOM 1049 O LYS A 67 10.940 7.484 9.551 1.00 0.00 O ATOM 1050 CB LYS A 67 8.463 9.578 9.994 1.00 0.00 C ATOM 1051 CG LYS A 67 9.052 9.186 11.350 1.00 0.00 C ATOM 1052 CD LYS A 67 8.012 9.326 12.462 1.00 0.00 C ATOM 1053 CE LYS A 67 8.673 9.711 13.788 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.523 8.613 14.277 1.00 0.00 N ATOM 0 H LYS A 67 7.708 9.425 7.630 1.00 0.00 H new ATOM 0 HA LYS A 67 10.262 9.786 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.313 10.657 9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.483 9.116 9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.411 8.158 11.311 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.913 9.816 11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.278 10.082 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.472 8.386 12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.273 10.611 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.908 9.944 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.883 8.848 15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.964 7.737 14.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.323 8.477 13.627 1.00 0.00 H new ATOM 1068 N ILE A 68 9.087 6.756 8.413 1.00 0.00 N ATOM 1069 CA ILE A 68 9.436 5.346 8.455 1.00 0.00 C ATOM 1070 C ILE A 68 10.521 5.064 7.413 1.00 0.00 C ATOM 1071 O ILE A 68 11.301 4.121 7.615 1.00 0.00 O ATOM 1072 CB ILE A 68 8.187 4.479 8.291 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.774 3.853 9.624 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.390 3.424 7.200 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.270 3.581 9.661 1.00 0.00 C ATOM 0 H ILE A 68 8.209 6.956 7.934 1.00 0.00 H new ATOM 0 HA ILE A 68 9.851 5.085 9.429 1.00 0.00 H new ATOM 0 HB ILE A 68 7.367 5.121 7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 68 8.319 2.921 9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.047 4.519 10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.487 2.821 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.599 3.918 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.229 2.781 7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.004 3.136 10.620 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.728 4.518 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.004 2.895 8.857 1.00 0.00 H new ATOM 1087 N LEU A 69 10.550 5.872 6.339 1.00 0.00 N ATOM 1088 CA LEU A 69 11.531 5.711 5.279 1.00 0.00 C ATOM 1089 C LEU A 69 12.896 6.195 5.775 1.00 0.00 C ATOM 1090 O LEU A 69 13.906 5.571 5.419 1.00 0.00 O ATOM 1091 CB LEU A 69 11.059 6.406 4.001 1.00 0.00 C ATOM 1092 CG LEU A 69 9.858 5.772 3.296 1.00 0.00 C ATOM 1093 CD1 LEU A 69 9.805 6.186 1.824 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.865 4.252 3.464 1.00 0.00 C ATOM 0 H LEU A 69 9.898 6.643 6.192 1.00 0.00 H new ATOM 0 HA LEU A 69 11.641 4.658 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.809 7.439 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.892 6.437 3.299 1.00 0.00 H new ATOM 0 HG LEU A 69 8.949 6.144 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.942 5.722 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.719 7.270 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.716 5.861 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.001 3.826 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.779 3.843 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.820 4.003 4.524 1.00 0.00 H new ATOM 1106 N LYS A 70 12.898 7.278 6.571 1.00 0.00 N ATOM 1107 CA LYS A 70 14.126 7.837 7.108 1.00 0.00 C ATOM 1108 C LYS A 70 14.812 6.793 7.992 1.00 0.00 C ATOM 1109 O LYS A 70 16.037 6.879 8.163 1.00 0.00 O ATOM 1110 CB LYS A 70 13.846 9.161 7.822 1.00 0.00 C ATOM 1111 CG LYS A 70 13.245 8.919 9.208 1.00 0.00 C ATOM 1112 CD LYS A 70 14.121 9.536 10.300 1.00 0.00 C ATOM 1113 CE LYS A 70 15.499 8.873 10.340 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.399 7.511 10.888 1.00 0.00 N ATOM 0 H LYS A 70 12.054 7.777 6.851 1.00 0.00 H new ATOM 0 HA LYS A 70 14.819 8.078 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.771 9.730 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.161 9.763 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.244 9.348 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.141 7.848 9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.233 10.605 10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.633 9.426 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.921 8.837 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.178 9.468 10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.097 6.897 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.586 7.534 11.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.443 7.138 10.719 1.00 0.00 H new ATOM 1128 N GLU A 71 14.024 5.846 8.530 1.00 0.00 N ATOM 1129 CA GLU A 71 14.551 4.799 9.387 1.00 0.00 C ATOM 1130 C GLU A 71 15.146 3.687 8.520 1.00 0.00 C ATOM 1131 O GLU A 71 15.964 2.911 9.036 1.00 0.00 O ATOM 1132 CB GLU A 71 13.477 4.247 10.326 1.00 0.00 C ATOM 1133 CG GLU A 71 12.301 5.219 10.445 1.00 0.00 C ATOM 1134 CD GLU A 71 11.248 4.688 11.421 1.00 0.00 C ATOM 1135 OE1 GLU A 71 11.066 3.466 11.532 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.609 5.594 12.078 1.00 0.00 O ATOM 0 H GLU A 71 13.017 5.795 8.378 1.00 0.00 H new ATOM 0 HA GLU A 71 15.334 5.223 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.123 3.286 9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.907 4.069 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.660 6.190 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.850 5.371 9.465 1.00 0.00 H new ATOM 1199 N SER B 3 4.698 -9.916 -17.801 1.00 0.00 N ATOM 1200 CA SER B 3 5.065 -8.578 -18.232 1.00 0.00 C ATOM 1201 C SER B 3 4.580 -7.562 -17.195 1.00 0.00 C ATOM 1202 O SER B 3 5.313 -7.313 -16.226 1.00 0.00 O ATOM 1203 CB SER B 3 4.481 -8.252 -19.607 1.00 0.00 C ATOM 1204 OG SER B 3 5.403 -8.530 -20.658 1.00 0.00 O ATOM 0 HA SER B 3 6.150 -8.528 -18.317 1.00 0.00 H new ATOM 0 HB2 SER B 3 3.570 -8.831 -19.761 1.00 0.00 H new ATOM 0 HB3 SER B 3 4.199 -7.200 -19.641 1.00 0.00 H new ATOM 0 HG SER B 3 4.992 -8.310 -21.520 1.00 0.00 H new ATOM 1210 N ASN B 4 3.376 -7.004 -17.415 1.00 0.00 N ATOM 1211 CA ASN B 4 2.803 -6.026 -16.507 1.00 0.00 C ATOM 1212 C ASN B 4 2.367 -6.726 -15.218 1.00 0.00 C ATOM 1213 O ASN B 4 2.185 -6.037 -14.205 1.00 0.00 O ATOM 1214 CB ASN B 4 1.572 -5.358 -17.123 1.00 0.00 C ATOM 1215 CG ASN B 4 1.765 -3.845 -17.228 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.851 -3.317 -17.057 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.652 -3.177 -17.521 1.00 0.00 N ATOM 0 H ASN B 4 2.789 -7.222 -18.220 1.00 0.00 H new ATOM 0 HA ASN B 4 3.561 -5.269 -16.305 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.385 -5.774 -18.113 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.694 -5.575 -16.515 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.676 -2.162 -17.615 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.225 -3.680 -17.652 1.00 0.00 H new ATOM 1224 N THR B 5 2.210 -8.061 -15.282 1.00 0.00 N ATOM 1225 CA THR B 5 1.800 -8.844 -14.129 1.00 0.00 C ATOM 1226 C THR B 5 2.935 -8.866 -13.103 1.00 0.00 C ATOM 1227 O THR B 5 2.728 -8.372 -11.985 1.00 0.00 O ATOM 1228 CB THR B 5 1.385 -10.237 -14.607 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.180 -10.010 -15.332 1.00 0.00 O ATOM 1230 CG2 THR B 5 0.961 -11.150 -13.454 1.00 0.00 C ATOM 0 H THR B 5 2.364 -8.610 -16.128 1.00 0.00 H new ATOM 0 HA THR B 5 0.938 -8.402 -13.630 1.00 0.00 H new ATOM 0 HB THR B 5 2.212 -10.697 -15.148 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.158 -10.862 -15.679 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.676 -12.126 -13.848 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.792 -11.268 -12.759 1.00 0.00 H new ATOM 0 HG23 THR B 5 0.112 -10.708 -12.933 1.00 0.00 H new ATOM 1238 N VAL B 6 4.090 -9.430 -13.496 1.00 0.00 N ATOM 1239 CA VAL B 6 5.244 -9.515 -12.617 1.00 0.00 C ATOM 1240 C VAL B 6 5.413 -8.186 -11.876 1.00 0.00 C ATOM 1241 O VAL B 6 5.689 -8.216 -10.668 1.00 0.00 O ATOM 1242 CB VAL B 6 6.485 -9.914 -13.418 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.522 -11.425 -13.654 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.551 -9.150 -14.742 1.00 0.00 C ATOM 0 H VAL B 6 4.238 -9.832 -14.422 1.00 0.00 H new ATOM 0 HA VAL B 6 5.096 -10.291 -11.866 1.00 0.00 H new ATOM 0 HB VAL B 6 7.364 -9.645 -12.832 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.414 -11.682 -14.225 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.544 -11.943 -12.695 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.635 -11.728 -14.210 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.442 -9.452 -15.292 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.665 -9.374 -15.336 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.593 -8.079 -14.542 1.00 0.00 H new ATOM 1254 N SER B 7 5.248 -7.066 -12.602 1.00 0.00 N ATOM 1255 CA SER B 7 5.381 -5.743 -12.017 1.00 0.00 C ATOM 1256 C SER B 7 4.476 -5.640 -10.787 1.00 0.00 C ATOM 1257 O SER B 7 4.996 -5.368 -9.695 1.00 0.00 O ATOM 1258 CB SER B 7 5.032 -4.647 -13.026 1.00 0.00 C ATOM 1259 OG SER B 7 5.079 -3.349 -12.442 1.00 0.00 O ATOM 0 H SER B 7 5.022 -7.063 -13.597 1.00 0.00 H new ATOM 0 HA SER B 7 6.420 -5.598 -11.722 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.726 -4.692 -13.865 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.035 -4.828 -13.427 1.00 0.00 H new ATOM 0 HG SER B 7 5.743 -2.803 -12.912 1.00 0.00 H new ATOM 1265 N SER B 8 3.164 -5.855 -10.986 1.00 0.00 N ATOM 1266 CA SER B 8 2.199 -5.787 -9.900 1.00 0.00 C ATOM 1267 C SER B 8 2.685 -6.655 -8.738 1.00 0.00 C ATOM 1268 O SER B 8 2.492 -6.252 -7.581 1.00 0.00 O ATOM 1269 CB SER B 8 0.810 -6.239 -10.356 1.00 0.00 C ATOM 1270 OG SER B 8 -0.186 -5.258 -10.081 1.00 0.00 O ATOM 0 H SER B 8 2.757 -6.077 -11.895 1.00 0.00 H new ATOM 0 HA SER B 8 2.115 -4.750 -9.575 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.829 -6.447 -11.426 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.549 -7.171 -9.855 1.00 0.00 H new ATOM 0 HG SER B 8 0.021 -4.810 -9.235 1.00 0.00 H new ATOM 1276 N PHE B 9 3.295 -7.809 -9.061 1.00 0.00 N ATOM 1277 CA PHE B 9 3.801 -8.721 -8.050 1.00 0.00 C ATOM 1278 C PHE B 9 4.825 -7.992 -7.178 1.00 0.00 C ATOM 1279 O PHE B 9 4.624 -7.935 -5.956 1.00 0.00 O ATOM 1280 CB PHE B 9 4.442 -9.941 -8.742 1.00 0.00 C ATOM 1281 CG PHE B 9 3.891 -11.288 -8.293 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.573 -11.670 -8.633 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.697 -12.161 -7.527 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.065 -12.917 -8.212 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.188 -13.409 -7.107 1.00 0.00 C ATOM 1286 CZ PHE B 9 2.872 -13.787 -7.449 1.00 0.00 C ATOM 0 H PHE B 9 3.444 -8.122 -10.020 1.00 0.00 H new ATOM 0 HA PHE B 9 2.986 -9.067 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.301 -9.847 -9.819 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.516 -9.923 -8.558 1.00 0.00 H new ATOM 0 HD1 PHE B 9 1.953 -11.005 -9.217 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.704 -11.873 -7.263 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.058 -13.206 -8.474 1.00 0.00 H new ATOM 0 HE2 PHE B 9 4.806 -14.075 -6.523 1.00 0.00 H new ATOM 0 HZ PHE B 9 2.483 -14.742 -7.127 1.00 0.00 H new ATOM 1296 N GLN B 10 5.884 -7.458 -7.812 1.00 0.00 N ATOM 1297 CA GLN B 10 6.927 -6.740 -7.098 1.00 0.00 C ATOM 1298 C GLN B 10 6.287 -5.681 -6.199 1.00 0.00 C ATOM 1299 O GLN B 10 6.495 -5.739 -4.978 1.00 0.00 O ATOM 1300 CB GLN B 10 7.934 -6.107 -8.061 1.00 0.00 C ATOM 1301 CG GLN B 10 8.958 -7.138 -8.539 1.00 0.00 C ATOM 1302 CD GLN B 10 9.026 -7.176 -10.067 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.881 -6.173 -10.745 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.254 -8.386 -10.568 1.00 0.00 N ATOM 0 H GLN B 10 6.030 -7.516 -8.820 1.00 0.00 H new ATOM 0 HA GLN B 10 7.480 -7.448 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.408 -5.687 -8.918 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.447 -5.282 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.940 -6.895 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.691 -8.124 -8.159 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.366 -9.184 -9.943 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.317 -8.516 -11.578 1.00 0.00 H new ATOM 1313 N VAL B 11 5.533 -4.748 -6.809 1.00 0.00 N ATOM 1314 CA VAL B 11 4.871 -3.688 -6.070 1.00 0.00 C ATOM 1315 C VAL B 11 4.160 -4.286 -4.854 1.00 0.00 C ATOM 1316 O VAL B 11 4.530 -3.937 -3.723 1.00 0.00 O ATOM 1317 CB VAL B 11 3.927 -2.916 -6.993 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.814 -2.235 -6.195 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.697 -1.898 -7.837 1.00 0.00 C ATOM 0 H VAL B 11 5.374 -4.718 -7.816 1.00 0.00 H new ATOM 0 HA VAL B 11 5.601 -2.969 -5.699 1.00 0.00 H new ATOM 0 HB VAL B 11 3.463 -3.632 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.157 -1.693 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.238 -2.989 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.252 -1.537 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL B 11 4.003 -1.363 -8.484 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.202 -1.189 -7.181 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.436 -2.416 -8.448 1.00 0.00 H new ATOM 1329 N ASP B 12 3.172 -5.163 -5.106 1.00 0.00 N ATOM 1330 CA ASP B 12 2.419 -5.802 -4.040 1.00 0.00 C ATOM 1331 C ASP B 12 3.361 -6.126 -2.880 1.00 0.00 C ATOM 1332 O ASP B 12 3.125 -5.624 -1.770 1.00 0.00 O ATOM 1333 CB ASP B 12 1.792 -7.114 -4.519 1.00 0.00 C ATOM 1334 CG ASP B 12 0.461 -7.474 -3.855 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.269 -7.255 -2.650 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.413 -8.008 -4.639 1.00 0.00 O ATOM 0 H ASP B 12 2.884 -5.438 -6.045 1.00 0.00 H new ATOM 0 HA ASP B 12 1.631 -5.118 -3.727 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.639 -7.054 -5.597 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.500 -7.924 -4.342 1.00 0.00 H new ATOM 1341 N CYS B 13 4.393 -6.944 -3.151 1.00 0.00 N ATOM 1342 CA CYS B 13 5.360 -7.328 -2.136 1.00 0.00 C ATOM 1343 C CYS B 13 5.785 -6.088 -1.348 1.00 0.00 C ATOM 1344 O CYS B 13 5.623 -6.086 -0.119 1.00 0.00 O ATOM 1345 CB CYS B 13 6.559 -8.047 -2.759 1.00 0.00 C ATOM 1346 SG CYS B 13 6.877 -9.710 -2.100 1.00 0.00 S ATOM 0 H CYS B 13 4.570 -7.347 -4.071 1.00 0.00 H new ATOM 0 HA CYS B 13 4.898 -8.035 -1.447 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.401 -8.122 -3.835 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.449 -7.436 -2.609 1.00 0.00 H new ATOM 0 HG CYS B 13 8.159 -9.915 -2.039 1.00 0.00 H new ATOM 1352 N PHE B 14 6.313 -5.075 -2.058 1.00 0.00 N ATOM 1353 CA PHE B 14 6.755 -3.842 -1.428 1.00 0.00 C ATOM 1354 C PHE B 14 5.644 -3.310 -0.520 1.00 0.00 C ATOM 1355 O PHE B 14 5.948 -2.924 0.617 1.00 0.00 O ATOM 1356 CB PHE B 14 7.109 -2.814 -2.520 1.00 0.00 C ATOM 1357 CG PHE B 14 7.674 -1.500 -1.996 1.00 0.00 C ATOM 1358 CD1 PHE B 14 9.037 -1.412 -1.625 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.845 -0.360 -1.881 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.564 -0.196 -1.143 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.374 0.856 -1.399 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.732 0.939 -1.030 1.00 0.00 C ATOM 0 H PHE B 14 6.439 -5.097 -3.070 1.00 0.00 H new ATOM 0 HA PHE B 14 7.641 -4.026 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.835 -3.261 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.214 -2.602 -3.104 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.675 -2.279 -1.711 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.804 -0.420 -2.163 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.604 -0.133 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.738 1.724 -1.313 1.00 0.00 H new ATOM 0 HZ PHE B 14 9.136 1.870 -0.661 1.00 0.00 H new ATOM 1372 N LEU B 15 4.400 -3.301 -1.033 1.00 0.00 N ATOM 1373 CA LEU B 15 3.258 -2.821 -0.275 1.00 0.00 C ATOM 1374 C LEU B 15 3.172 -3.587 1.047 1.00 0.00 C ATOM 1375 O LEU B 15 2.830 -2.968 2.066 1.00 0.00 O ATOM 1376 CB LEU B 15 1.984 -2.900 -1.117 1.00 0.00 C ATOM 1377 CG LEU B 15 2.066 -2.289 -2.517 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.669 -2.026 -3.083 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.930 -1.028 -2.515 1.00 0.00 C ATOM 0 H LEU B 15 4.172 -3.624 -1.973 1.00 0.00 H new ATOM 0 HA LEU B 15 3.381 -1.767 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.702 -3.948 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.181 -2.404 -0.572 1.00 0.00 H new ATOM 0 HG LEU B 15 2.550 -3.010 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.756 -1.592 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.118 -2.965 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.136 -1.334 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.972 -0.614 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.498 -0.292 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.938 -1.278 -2.184 1.00 0.00 H new ATOM 1391 N TRP B 16 3.476 -4.897 1.005 1.00 0.00 N ATOM 1392 CA TRP B 16 3.432 -5.735 2.190 1.00 0.00 C ATOM 1393 C TRP B 16 4.529 -5.294 3.163 1.00 0.00 C ATOM 1394 O TRP B 16 4.265 -5.264 4.374 1.00 0.00 O ATOM 1395 CB TRP B 16 3.538 -7.211 1.800 1.00 0.00 C ATOM 1396 CG TRP B 16 3.243 -8.180 2.945 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.111 -8.858 3.182 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.145 -8.557 4.008 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.217 -9.640 4.315 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.493 -9.450 4.832 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.468 -8.154 4.263 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.084 -10.018 5.967 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.044 -8.731 5.401 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.402 -9.632 6.241 1.00 0.00 C ATOM 0 H TRP B 16 3.754 -5.388 0.155 1.00 0.00 H new ATOM 0 HA TRP B 16 2.476 -5.619 2.700 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.846 -7.410 0.982 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.542 -7.405 1.423 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.227 -8.800 2.564 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.493 -10.245 4.701 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.997 -7.456 3.632 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.552 -10.716 6.597 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.060 -8.456 5.643 1.00 0.00 H new ATOM 0 HH2 TRP B 16 5.917 -10.033 7.101 1.00 0.00 H new ATOM 1415 N HIS B 17 5.717 -4.967 2.624 1.00 0.00 N ATOM 1416 CA HIS B 17 6.839 -4.533 3.438 1.00 0.00 C ATOM 1417 C HIS B 17 6.464 -3.242 4.168 1.00 0.00 C ATOM 1418 O HIS B 17 6.599 -3.201 5.399 1.00 0.00 O ATOM 1419 CB HIS B 17 8.106 -4.390 2.592 1.00 0.00 C ATOM 1420 CG HIS B 17 8.773 -5.702 2.260 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.339 -6.761 1.517 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 10.039 -6.035 2.711 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.287 -7.689 1.514 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.342 -7.240 2.253 1.00 0.00 N flip ATOM 0 H HIS B 17 5.913 -4.999 1.624 1.00 0.00 H new ATOM 0 HA HIS B 17 7.063 -5.289 4.191 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.855 -3.877 1.664 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.816 -3.757 3.124 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.672 -5.417 3.331 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.232 -8.642 1.010 1.00 0.00 H new ATOM 0 HE2 HIS B 17 11.212 -7.744 2.423 1.00 0.00 H new ATOM 1432 N VAL B 18 6.007 -2.231 3.408 1.00 0.00 N ATOM 1433 CA VAL B 18 5.618 -0.953 3.980 1.00 0.00 C ATOM 1434 C VAL B 18 4.515 -1.177 5.016 1.00 0.00 C ATOM 1435 O VAL B 18 4.526 -0.489 6.046 1.00 0.00 O ATOM 1436 CB VAL B 18 5.206 0.014 2.867 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.411 0.417 2.015 1.00 0.00 C ATOM 1438 CG2 VAL B 18 4.099 -0.589 2.000 1.00 0.00 C ATOM 0 H VAL B 18 5.902 -2.286 2.395 1.00 0.00 H new ATOM 0 HA VAL B 18 6.460 -0.493 4.497 1.00 0.00 H new ATOM 0 HB VAL B 18 4.812 0.916 3.336 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.090 1.104 1.232 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.154 0.906 2.644 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.849 -0.472 1.560 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.824 0.118 1.217 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.456 -1.513 1.546 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.227 -0.802 2.619 1.00 0.00 H new ATOM 1448 N ARG B 19 3.601 -2.121 4.727 1.00 0.00 N ATOM 1449 CA ARG B 19 2.504 -2.430 5.629 1.00 0.00 C ATOM 1450 C ARG B 19 3.067 -2.964 6.947 1.00 0.00 C ATOM 1451 O ARG B 19 2.742 -2.397 7.999 1.00 0.00 O ATOM 1452 CB ARG B 19 1.557 -3.472 5.027 1.00 0.00 C ATOM 1453 CG ARG B 19 0.448 -2.800 4.215 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.667 -3.793 3.884 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.306 -3.428 2.600 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.618 -3.600 2.331 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.409 -4.132 3.272 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.120 -3.243 1.141 1.00 0.00 N ATOM 0 H ARG B 19 3.610 -2.677 3.872 1.00 0.00 H new ATOM 0 HA ARG B 19 1.938 -1.514 5.799 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.119 -4.153 4.388 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.117 -4.072 5.823 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.038 -1.961 4.777 1.00 0.00 H new ATOM 0 HG3 ARG B 19 0.863 -2.393 3.293 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.260 -4.802 3.823 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.410 -3.797 4.681 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.718 -3.021 1.872 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -3.018 -4.400 4.175 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.402 -4.269 3.086 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -2.510 -2.838 0.431 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.112 -3.376 0.945 1.00 0.00 H new ATOM 1472 N LYS B 20 3.887 -4.029 6.864 1.00 0.00 N ATOM 1473 CA LYS B 20 4.487 -4.630 8.042 1.00 0.00 C ATOM 1474 C LYS B 20 5.178 -3.544 8.869 1.00 0.00 C ATOM 1475 O LYS B 20 5.191 -3.663 10.104 1.00 0.00 O ATOM 1476 CB LYS B 20 5.414 -5.781 7.643 1.00 0.00 C ATOM 1477 CG LYS B 20 6.862 -5.480 8.032 1.00 0.00 C ATOM 1478 CD LYS B 20 7.107 -5.785 9.511 1.00 0.00 C ATOM 1479 CE LYS B 20 8.141 -4.827 10.105 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.503 -5.346 9.900 1.00 0.00 N ATOM 0 H LYS B 20 4.141 -4.482 5.986 1.00 0.00 H new ATOM 0 HA LYS B 20 3.719 -5.073 8.676 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.087 -6.701 8.128 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.350 -5.948 6.568 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.538 -6.074 7.418 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.086 -4.432 7.831 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.171 -5.703 10.063 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.453 -6.813 9.622 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.046 -3.846 9.640 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.953 -4.694 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.192 -4.683 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.595 -6.272 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.685 -5.450 8.881 1.00 0.00 H new ATOM 1494 N GLN B 21 5.728 -2.525 8.186 1.00 0.00 N ATOM 1495 CA GLN B 21 6.412 -1.431 8.854 1.00 0.00 C ATOM 1496 C GLN B 21 5.382 -0.536 9.545 1.00 0.00 C ATOM 1497 O GLN B 21 5.694 0.006 10.615 1.00 0.00 O ATOM 1498 CB GLN B 21 7.271 -0.625 7.876 1.00 0.00 C ATOM 1499 CG GLN B 21 8.571 -0.166 8.538 1.00 0.00 C ATOM 1500 CD GLN B 21 9.666 -1.226 8.390 1.00 0.00 C ATOM 1501 OE1 GLN B 21 9.206 -2.442 8.110 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.848 -0.956 8.520 1.00 0.00 N flip ATOM 0 H GLN B 21 5.706 -2.447 7.169 1.00 0.00 H new ATOM 0 HA GLN B 21 7.087 -1.846 9.603 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.499 -1.233 7.001 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.712 0.242 7.525 1.00 0.00 H new ATOM 0 HG2 GLN B 21 8.902 0.770 8.087 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.394 0.034 9.595 1.00 0.00 H new ATOM 0 HE21 GLN B 21 11.132 -0.000 8.735 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.553 -1.686 8.414 1.00 0.00 H new ATOM 1511 N VAL B 22 4.192 -0.402 8.930 1.00 0.00 N ATOM 1512 CA VAL B 22 3.129 0.419 9.482 1.00 0.00 C ATOM 1513 C VAL B 22 2.643 -0.198 10.794 1.00 0.00 C ATOM 1514 O VAL B 22 2.617 0.514 11.809 1.00 0.00 O ATOM 1515 CB VAL B 22 2.012 0.590 8.451 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.640 0.617 9.129 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.230 1.849 7.609 1.00 0.00 C ATOM 0 H VAL B 22 3.955 -0.858 8.049 1.00 0.00 H new ATOM 0 HA VAL B 22 3.498 1.419 9.711 1.00 0.00 H new ATOM 0 HB VAL B 22 2.040 -0.270 7.782 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.137 0.740 8.374 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.481 -0.319 9.665 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.598 1.449 9.831 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.422 1.946 6.884 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.242 2.724 8.259 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.182 1.775 7.083 1.00 0.00 H new ATOM 1527 N VAL B 23 2.271 -1.491 10.750 1.00 0.00 N ATOM 1528 CA VAL B 23 1.790 -2.195 11.926 1.00 0.00 C ATOM 1529 C VAL B 23 2.928 -2.318 12.942 1.00 0.00 C ATOM 1530 O VAL B 23 2.661 -2.186 14.146 1.00 0.00 O ATOM 1531 CB VAL B 23 1.201 -3.547 11.522 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.270 -4.087 12.612 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.474 -3.450 10.180 1.00 0.00 C ATOM 0 H VAL B 23 2.299 -2.060 9.904 1.00 0.00 H new ATOM 0 HA VAL B 23 0.986 -1.635 12.404 1.00 0.00 H new ATOM 0 HB VAL B 23 2.026 -4.250 11.406 1.00 0.00 H new ATOM 0 HG11 VAL B 23 -0.136 -5.049 12.300 1.00 0.00 H new ATOM 0 HG12 VAL B 23 0.829 -4.212 13.539 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.547 -3.384 12.774 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.065 -4.425 9.917 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.336 -2.725 10.257 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.175 -3.130 9.409 1.00 0.00 H new ATOM 1543 N ASP B 24 4.154 -2.566 12.446 1.00 0.00 N ATOM 1544 CA ASP B 24 5.318 -2.704 13.304 1.00 0.00 C ATOM 1545 C ASP B 24 5.655 -1.347 13.923 1.00 0.00 C ATOM 1546 O ASP B 24 6.707 -1.237 14.569 1.00 0.00 O ATOM 1547 CB ASP B 24 6.536 -3.175 12.507 1.00 0.00 C ATOM 1548 CG ASP B 24 7.817 -3.346 13.326 1.00 0.00 C ATOM 1549 OD1 ASP B 24 8.042 -4.395 13.949 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.615 -2.333 13.308 1.00 0.00 O ATOM 0 H ASP B 24 4.352 -2.673 11.451 1.00 0.00 H new ATOM 0 HA ASP B 24 5.084 -3.439 14.074 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.296 -4.127 12.033 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.727 -2.460 11.707 1.00 0.00 H new ATOM 1555 N GLN B 25 4.769 -0.354 13.719 1.00 0.00 N ATOM 1556 CA GLN B 25 4.972 0.982 14.254 1.00 0.00 C ATOM 1557 C GLN B 25 3.800 1.342 15.169 1.00 0.00 C ATOM 1558 O GLN B 25 3.560 2.542 15.374 1.00 0.00 O ATOM 1559 CB GLN B 25 5.135 2.015 13.136 1.00 0.00 C ATOM 1560 CG GLN B 25 6.613 2.268 12.836 1.00 0.00 C ATOM 1561 CD GLN B 25 6.918 3.768 12.812 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.068 4.596 12.531 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.176 4.069 13.122 1.00 0.00 N ATOM 0 H GLN B 25 3.907 -0.464 13.185 1.00 0.00 H new ATOM 0 HA GLN B 25 5.896 0.993 14.832 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.632 1.664 12.235 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.654 2.949 13.426 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.230 1.780 13.590 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.874 1.825 11.875 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.837 3.326 13.348 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.479 5.043 13.134 1.00 0.00 H new ATOM 1572 N GLU B 26 3.106 0.316 15.691 1.00 0.00 N ATOM 1573 CA GLU B 26 1.971 0.526 16.574 1.00 0.00 C ATOM 1574 C GLU B 26 1.234 1.801 16.160 1.00 0.00 C ATOM 1575 O GLU B 26 0.854 2.578 17.047 1.00 0.00 O ATOM 1576 CB GLU B 26 2.406 0.596 18.040 1.00 0.00 C ATOM 1577 CG GLU B 26 2.917 1.994 18.393 1.00 0.00 C ATOM 1578 CD GLU B 26 4.169 1.915 19.269 1.00 0.00 C ATOM 1579 OE1 GLU B 26 4.150 0.987 20.165 1.00 0.00 O ATOM 1580 OE2 GLU B 26 5.104 2.709 19.087 1.00 0.00 O ATOM 0 H GLU B 26 3.320 -0.665 15.510 1.00 0.00 H new ATOM 0 HA GLU B 26 1.296 -0.325 16.482 1.00 0.00 H new ATOM 0 HB2 GLU B 26 1.566 0.338 18.685 1.00 0.00 H new ATOM 0 HB3 GLU B 26 3.189 -0.139 18.226 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.142 2.544 17.479 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.138 2.549 18.915 1.00 0.00 H new ATOM 1587 N LEU B 27 1.050 1.987 14.840 1.00 0.00 N ATOM 1588 CA LEU B 27 0.366 3.156 14.315 1.00 0.00 C ATOM 1589 C LEU B 27 -1.004 2.741 13.775 1.00 0.00 C ATOM 1590 O LEU B 27 -1.867 3.617 13.617 1.00 0.00 O ATOM 1591 CB LEU B 27 1.241 3.873 13.286 1.00 0.00 C ATOM 1592 CG LEU B 27 1.240 3.279 11.875 1.00 0.00 C ATOM 1593 CD1 LEU B 27 0.065 3.815 11.056 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.581 3.518 11.180 1.00 0.00 C ATOM 0 H LEU B 27 1.371 1.334 14.125 1.00 0.00 H new ATOM 0 HA LEU B 27 0.190 3.882 15.109 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.916 4.911 13.222 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.267 3.883 13.654 1.00 0.00 H new ATOM 0 HG LEU B 27 1.108 2.200 11.957 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.088 3.377 10.058 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.871 3.551 11.547 1.00 0.00 H new ATOM 0 HD13 LEU B 27 0.140 4.900 10.978 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.554 3.086 10.179 1.00 0.00 H new ATOM 0 HD22 LEU B 27 2.768 4.589 11.108 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.378 3.049 11.756 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.174 1.434 13.508 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.428 0.910 12.991 1.00 0.00 C ATOM 1608 C GLY B 28 -3.513 1.053 14.059 1.00 0.00 C ATOM 1609 O GLY B 28 -3.340 1.875 14.971 1.00 0.00 O ATOM 0 H GLY B 28 -0.450 0.728 13.646 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.716 1.449 12.089 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.311 -0.137 12.713 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.595 0.263 13.927 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.697 0.303 14.875 1.00 0.00 C ATOM 1615 C ASP B 29 -6.209 -1.119 15.113 1.00 0.00 C ATOM 1616 O ASP B 29 -6.539 -1.443 16.263 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.858 1.139 14.334 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.184 0.959 15.076 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.243 1.055 16.311 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.201 0.707 14.323 1.00 0.00 O ATOM 0 H ASP B 29 -4.719 -0.408 13.168 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.332 0.749 15.800 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.577 2.192 14.372 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -7.009 0.888 13.284 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.263 -1.928 14.039 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.731 -3.301 14.131 1.00 0.00 C ATOM 1627 C ALA B 30 -6.923 -3.865 12.722 1.00 0.00 C ATOM 1628 O ALA B 30 -6.591 -5.039 12.506 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.107 -3.332 14.798 1.00 0.00 C ATOM 0 H ALA B 30 -5.985 -1.643 13.100 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.001 -3.878 14.700 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.455 -4.363 14.866 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.036 -2.907 15.799 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.812 -2.749 14.205 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.449 -3.032 11.806 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.696 -3.410 10.426 1.00 0.00 C ATOM 1637 C PRO B 31 -6.391 -3.468 9.631 1.00 0.00 C ATOM 1638 O PRO B 31 -6.373 -4.114 8.572 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.666 -2.365 9.899 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.564 -1.185 10.851 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.830 -1.653 12.097 1.00 0.00 C ATOM 0 HA PRO B 31 -8.120 -4.410 10.334 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.408 -2.070 8.882 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.683 -2.756 9.869 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.029 -0.360 10.380 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.557 -0.816 11.109 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -6.955 -1.034 12.297 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.469 -1.596 12.978 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.340 -2.806 10.148 1.00 0.00 N ATOM 1650 CA PHE B 32 -4.045 -2.784 9.490 1.00 0.00 C ATOM 1651 C PHE B 32 -3.358 -4.137 9.681 1.00 0.00 C ATOM 1652 O PHE B 32 -2.784 -4.649 8.709 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.191 -1.649 10.090 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.206 -0.352 9.291 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.184 -0.141 8.291 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.234 0.644 9.539 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.192 1.060 7.549 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.243 1.844 8.796 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.222 2.053 7.802 1.00 0.00 C ATOM 0 H PHE B 32 -5.375 -2.282 11.022 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.168 -2.603 8.422 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.544 -1.442 11.100 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.161 -1.995 10.177 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.926 -0.900 8.095 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.483 0.486 10.299 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.941 1.219 6.787 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.499 2.603 8.989 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.229 2.972 7.235 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.430 -4.682 10.909 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.819 -5.963 11.219 1.00 0.00 C ATOM 1671 C LEU B 33 -3.661 -7.086 10.608 1.00 0.00 C ATOM 1672 O LEU B 33 -3.075 -8.044 10.084 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.608 -6.104 12.728 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.967 -7.412 13.196 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -0.804 -7.809 12.285 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -1.541 -7.320 14.663 1.00 0.00 C ATOM 0 H LEU B 33 -3.909 -4.245 11.696 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.826 -6.030 10.774 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.986 -5.276 13.067 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.574 -5.999 13.221 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.714 -8.203 13.127 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.366 -8.742 12.640 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.169 -7.944 11.267 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.047 -7.025 12.298 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.088 -8.263 14.970 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.817 -6.514 14.782 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.414 -7.117 15.283 1.00 0.00 H new ATOM 1688 N ASP B 34 -4.997 -6.947 10.686 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.906 -7.941 10.145 1.00 0.00 C ATOM 1690 C ASP B 34 -5.672 -8.075 8.638 1.00 0.00 C ATOM 1691 O ASP B 34 -5.397 -9.194 8.181 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.364 -7.531 10.361 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.836 -7.567 11.816 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -6.895 -7.650 12.693 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.044 -7.519 12.097 1.00 0.00 O ATOM 0 H ASP B 34 -5.460 -6.149 11.122 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.716 -8.884 10.658 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.503 -6.521 9.974 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.002 -8.189 9.771 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.783 -6.950 7.909 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.584 -6.942 6.470 1.00 0.00 C ATOM 1702 C ARG B 35 -4.183 -7.465 6.150 1.00 0.00 C ATOM 1703 O ARG B 35 -4.066 -8.350 5.289 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.742 -5.536 5.887 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.196 -5.265 5.494 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.614 -3.847 5.889 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.491 -2.909 5.672 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.614 -1.704 5.077 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.822 -1.313 4.647 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.547 -0.911 4.918 1.00 0.00 N ATOM 0 H ARG B 35 -6.011 -6.038 8.305 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.342 -7.583 6.021 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.415 -4.797 6.618 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.099 -5.426 5.014 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.317 -5.398 4.419 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.849 -5.990 5.980 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.477 -3.536 5.300 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.918 -3.827 6.936 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.565 -3.191 5.993 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.630 -1.923 4.772 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.933 -0.405 4.195 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.631 -1.216 5.248 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.650 -0.002 4.467 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.164 -6.919 6.838 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.786 -7.329 6.628 1.00 0.00 C ATOM 1726 C LEU B 36 -1.670 -8.840 6.837 1.00 0.00 C ATOM 1727 O LEU B 36 -0.926 -9.484 6.082 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.843 -6.511 7.514 1.00 0.00 C ATOM 1729 CG LEU B 36 0.579 -7.057 7.663 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.309 -7.056 6.319 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.351 -6.287 8.736 1.00 0.00 C ATOM 0 H LEU B 36 -3.282 -6.192 7.543 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.480 -7.125 5.602 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.782 -5.500 7.110 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.286 -6.432 8.507 1.00 0.00 H new ATOM 0 HG LEU B 36 0.515 -8.094 7.994 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.317 -7.449 6.452 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.767 -7.682 5.610 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.364 -6.037 5.936 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.358 -6.694 8.822 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.408 -5.234 8.459 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.838 -6.383 9.693 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.394 -9.366 7.840 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.372 -10.788 8.142 1.00 0.00 C ATOM 1745 C ARG B 37 -2.863 -11.571 6.923 1.00 0.00 C ATOM 1746 O ARG B 37 -2.114 -12.430 6.434 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.257 -11.122 9.344 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.427 -11.704 10.491 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.129 -11.497 11.835 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.136 -12.561 12.049 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.337 -12.361 12.631 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -5.658 -11.129 13.049 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.195 -13.378 12.789 1.00 0.00 N ATOM 0 H ARG B 37 -3.000 -8.817 8.450 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.347 -11.066 8.387 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.771 -10.223 9.682 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -4.025 -11.836 9.047 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.263 -12.768 10.322 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.446 -11.230 10.512 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.397 -11.510 12.643 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -3.611 -10.519 11.856 1.00 0.00 H new ATOM 0 HE ARG B 37 -3.908 -13.505 11.737 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.999 -10.361 12.925 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -6.562 -10.960 13.491 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.943 -14.313 12.468 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.101 -13.217 13.230 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.090 -11.267 6.465 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.672 -11.938 5.315 1.00 0.00 C ATOM 1769 C ARG B 38 -3.792 -11.690 4.088 1.00 0.00 C ATOM 1770 O ARG B 38 -3.769 -12.551 3.196 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.089 -11.438 5.027 1.00 0.00 C ATOM 1772 CG ARG B 38 -6.961 -11.509 6.282 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.421 -11.785 5.921 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.805 -13.144 6.365 1.00 0.00 N ATOM 1775 CZ ARG B 38 -10.072 -13.523 6.632 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.061 -12.630 6.493 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.337 -14.775 7.032 1.00 0.00 N ATOM 0 H ARG B 38 -4.691 -10.557 6.883 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.727 -13.004 5.538 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.049 -10.411 4.665 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.536 -12.038 4.235 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.591 -12.294 6.942 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.890 -10.571 6.832 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.067 -11.044 6.392 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.562 -11.692 4.844 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.065 -13.837 6.476 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -10.851 -11.679 6.189 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -12.024 -12.901 6.691 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.578 -15.448 7.136 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.298 -15.054 7.232 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.098 -10.539 4.065 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.227 -10.186 2.958 1.00 0.00 C ATOM 1793 C ASP B 39 -1.005 -11.107 2.961 1.00 0.00 C ATOM 1794 O ASP B 39 -0.547 -11.483 1.872 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.731 -8.744 3.085 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.519 -8.013 1.758 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -2.422 -7.956 0.909 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.354 -7.481 1.607 1.00 0.00 O ATOM 0 H ASP B 39 -3.132 -9.842 4.809 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.797 -10.292 2.035 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.448 -8.181 3.682 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.790 -8.747 3.635 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.511 -11.448 4.164 1.00 0.00 N ATOM 1804 CA GLN B 40 0.646 -12.317 4.304 1.00 0.00 C ATOM 1805 C GLN B 40 0.334 -13.678 3.678 1.00 0.00 C ATOM 1806 O GLN B 40 1.021 -14.056 2.718 1.00 0.00 O ATOM 1807 CB GLN B 40 1.060 -12.469 5.769 1.00 0.00 C ATOM 1808 CG GLN B 40 2.146 -13.536 5.923 1.00 0.00 C ATOM 1809 CD GLN B 40 3.535 -12.946 5.664 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.713 -12.510 4.420 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.387 -12.890 6.535 1.00 0.00 N flip ATOM 0 H GLN B 40 -0.904 -11.128 5.049 1.00 0.00 H new ATOM 0 HA GLN B 40 1.489 -11.865 3.781 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.426 -11.515 6.148 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.192 -12.739 6.370 1.00 0.00 H new ATOM 0 HG2 GLN B 40 2.107 -13.957 6.928 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.959 -14.354 5.227 1.00 0.00 H new ATOM 0 HE21 GLN B 40 4.184 -13.243 7.470 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.302 -12.490 6.328 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.679 -14.374 4.224 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.075 -15.679 3.722 1.00 0.00 C ATOM 1822 C LYS B 41 -1.267 -15.601 2.206 1.00 0.00 C ATOM 1823 O LYS B 41 -0.862 -16.544 1.511 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.305 -16.191 4.473 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.120 -17.649 4.900 1.00 0.00 C ATOM 1826 CD LYS B 41 -3.281 -18.515 4.409 1.00 0.00 C ATOM 1827 CE LYS B 41 -3.193 -18.746 2.900 1.00 0.00 C ATOM 1828 NZ LYS B 41 -3.506 -20.148 2.573 1.00 0.00 N ATOM 0 H LYS B 41 -1.233 -14.044 5.015 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.290 -16.413 3.906 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.483 -15.571 5.352 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -3.186 -16.104 3.837 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -1.181 -18.032 4.500 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -2.052 -17.708 5.986 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -3.269 -19.473 4.928 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -4.228 -18.032 4.652 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -3.887 -18.082 2.384 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -2.192 -18.499 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -3.442 -20.287 1.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -2.828 -20.776 3.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.470 -20.372 2.893 1.00 0.00 H new ATOM 1842 N SER B 42 -1.871 -14.497 1.732 1.00 0.00 N ATOM 1843 CA SER B 42 -2.114 -14.301 0.313 1.00 0.00 C ATOM 1844 C SER B 42 -0.774 -14.198 -0.419 1.00 0.00 C ATOM 1845 O SER B 42 -0.640 -14.805 -1.492 1.00 0.00 O ATOM 1846 CB SER B 42 -2.957 -13.051 0.056 1.00 0.00 C ATOM 1847 OG SER B 42 -3.595 -13.090 -1.218 1.00 0.00 O ATOM 0 H SER B 42 -2.196 -13.731 2.322 1.00 0.00 H new ATOM 0 HA SER B 42 -2.675 -15.156 -0.064 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.712 -12.956 0.837 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.322 -12.167 0.117 1.00 0.00 H new ATOM 0 HG SER B 42 -4.125 -12.275 -1.344 1.00 0.00 H new ATOM 1853 N LEU B 43 0.174 -13.445 0.165 1.00 0.00 N ATOM 1854 CA LEU B 43 1.489 -13.266 -0.428 1.00 0.00 C ATOM 1855 C LEU B 43 2.189 -14.623 -0.525 1.00 0.00 C ATOM 1856 O LEU B 43 2.558 -15.018 -1.640 1.00 0.00 O ATOM 1857 CB LEU B 43 2.288 -12.216 0.347 1.00 0.00 C ATOM 1858 CG LEU B 43 3.470 -11.590 -0.396 1.00 0.00 C ATOM 1859 CD1 LEU B 43 2.987 -10.607 -1.465 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.448 -10.937 0.582 1.00 0.00 C ATOM 0 H LEU B 43 0.043 -12.954 1.049 1.00 0.00 H new ATOM 0 HA LEU B 43 1.400 -12.880 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.608 -11.418 0.645 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.662 -12.675 1.262 1.00 0.00 H new ATOM 0 HG LEU B 43 4.010 -12.385 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.847 -10.176 -1.978 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.360 -11.132 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.410 -9.812 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.279 -10.500 0.028 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.935 -10.156 1.143 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.829 -11.689 1.273 1.00 0.00 H new ATOM 1872 N ARG B 44 2.356 -15.298 0.626 1.00 0.00 N ATOM 1873 CA ARG B 44 3.005 -16.597 0.670 1.00 0.00 C ATOM 1874 C ARG B 44 2.509 -17.450 -0.500 1.00 0.00 C ATOM 1875 O ARG B 44 3.349 -18.027 -1.206 1.00 0.00 O ATOM 1876 CB ARG B 44 2.717 -17.327 1.984 1.00 0.00 C ATOM 1877 CG ARG B 44 3.638 -18.537 2.151 1.00 0.00 C ATOM 1878 CD ARG B 44 4.566 -18.357 3.356 1.00 0.00 C ATOM 1879 NE ARG B 44 3.865 -18.754 4.597 1.00 0.00 N ATOM 1880 CZ ARG B 44 4.434 -19.466 5.594 1.00 0.00 C ATOM 1881 NH1 ARG B 44 5.713 -19.848 5.470 1.00 0.00 N ATOM 1882 NH2 ARG B 44 3.732 -19.786 6.688 1.00 0.00 N ATOM 0 H ARG B 44 2.045 -14.954 1.535 1.00 0.00 H new ATOM 0 HA ARG B 44 4.081 -16.440 0.598 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.853 -16.643 2.822 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.677 -17.652 2.004 1.00 0.00 H new ATOM 0 HG2 ARG B 44 3.040 -19.439 2.280 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.232 -18.674 1.247 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.465 -18.960 3.227 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.887 -17.318 3.426 1.00 0.00 H new ATOM 0 HE ARG B 44 2.891 -18.472 4.707 1.00 0.00 H new ATOM 0 HH11 ARG B 44 6.240 -19.600 4.633 1.00 0.00 H new ATOM 0 HH12 ARG B 44 6.159 -20.386 6.213 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.759 -19.492 6.774 1.00 0.00 H new ATOM 0 HH22 ARG B 44 4.170 -20.324 7.436 1.00 0.00 H new ATOM 1896 N GLY B 45 1.178 -17.512 -0.677 1.00 0.00 N ATOM 1897 CA GLY B 45 0.579 -18.287 -1.750 1.00 0.00 C ATOM 1898 C GLY B 45 1.086 -17.763 -3.096 1.00 0.00 C ATOM 1899 O GLY B 45 1.493 -18.583 -3.933 1.00 0.00 O ATOM 0 H GLY B 45 0.504 -17.029 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.833 -19.341 -1.638 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.508 -18.214 -1.704 1.00 0.00 H new ATOM 1903 N ARG B 46 1.053 -16.430 -3.274 1.00 0.00 N ATOM 1904 CA ARG B 46 1.506 -15.807 -4.506 1.00 0.00 C ATOM 1905 C ARG B 46 2.971 -16.177 -4.751 1.00 0.00 C ATOM 1906 O ARG B 46 3.242 -16.901 -5.720 1.00 0.00 O ATOM 1907 CB ARG B 46 1.374 -14.284 -4.448 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.060 -13.845 -4.755 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.150 -12.324 -4.893 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.009 -11.971 -6.046 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.802 -10.902 -6.845 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.242 -10.099 -6.597 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.627 -10.650 -7.870 1.00 0.00 N ATOM 0 H ARG B 46 0.715 -15.772 -2.572 1.00 0.00 H new ATOM 0 HA ARG B 46 0.879 -16.172 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.663 -13.928 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG B 46 2.059 -13.829 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.400 -14.318 -5.676 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.725 -14.182 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.557 -11.891 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.846 -11.903 -5.029 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.807 -12.573 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.865 -10.300 -5.815 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.413 -9.287 -7.190 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.418 -11.268 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -1.464 -9.841 -8.469 1.00 0.00 H new ATOM 1927 N GLY B 47 3.870 -15.679 -3.883 1.00 0.00 N ATOM 1928 CA GLY B 47 5.291 -15.955 -4.005 1.00 0.00 C ATOM 1929 C GLY B 47 5.498 -17.454 -4.238 1.00 0.00 C ATOM 1930 O GLY B 47 5.978 -17.822 -5.320 1.00 0.00 O ATOM 0 H GLY B 47 3.625 -15.083 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.714 -15.385 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.813 -15.640 -3.101 1.00 0.00 H new ATOM 1934 N SER B 48 5.135 -18.275 -3.236 1.00 0.00 N ATOM 1935 CA SER B 48 5.280 -19.717 -3.332 1.00 0.00 C ATOM 1936 C SER B 48 4.867 -20.174 -4.732 1.00 0.00 C ATOM 1937 O SER B 48 5.714 -20.734 -5.443 1.00 0.00 O ATOM 1938 CB SER B 48 4.443 -20.435 -2.270 1.00 0.00 C ATOM 1939 OG SER B 48 4.697 -21.837 -2.249 1.00 0.00 O ATOM 0 H SER B 48 4.739 -17.952 -2.353 1.00 0.00 H new ATOM 0 HA SER B 48 6.324 -19.973 -3.155 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.661 -20.012 -1.289 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.385 -20.261 -2.464 1.00 0.00 H new ATOM 0 HG SER B 48 4.146 -22.259 -1.557 1.00 0.00 H new ATOM 1945 N THR B 49 3.593 -19.933 -5.094 1.00 0.00 N ATOM 1946 CA THR B 49 3.077 -20.317 -6.396 1.00 0.00 C ATOM 1947 C THR B 49 4.158 -20.090 -7.456 1.00 0.00 C ATOM 1948 O THR B 49 4.340 -20.969 -8.311 1.00 0.00 O ATOM 1949 CB THR B 49 1.791 -19.534 -6.662 1.00 0.00 C ATOM 1950 OG1 THR B 49 0.768 -20.337 -6.081 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.429 -19.488 -8.149 1.00 0.00 C ATOM 0 H THR B 49 2.910 -19.472 -4.492 1.00 0.00 H new ATOM 0 HA THR B 49 2.825 -21.377 -6.431 1.00 0.00 H new ATOM 0 HB THR B 49 1.901 -18.518 -6.284 1.00 0.00 H new ATOM 0 HG1 THR B 49 0.612 -20.050 -5.157 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.508 -18.920 -8.282 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.235 -19.008 -8.705 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.286 -20.503 -8.520 1.00 0.00 H new ATOM 1959 N LEU B 50 4.841 -18.933 -7.381 1.00 0.00 N ATOM 1960 CA LEU B 50 5.892 -18.597 -8.326 1.00 0.00 C ATOM 1961 C LEU B 50 7.170 -19.349 -7.951 1.00 0.00 C ATOM 1962 O LEU B 50 7.592 -20.219 -8.727 1.00 0.00 O ATOM 1963 CB LEU B 50 6.072 -17.080 -8.409 1.00 0.00 C ATOM 1964 CG LEU B 50 5.888 -16.457 -9.794 1.00 0.00 C ATOM 1965 CD1 LEU B 50 6.010 -14.934 -9.731 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.861 -17.068 -10.804 1.00 0.00 C ATOM 0 H LEU B 50 4.674 -18.221 -6.670 1.00 0.00 H new ATOM 0 HA LEU B 50 5.618 -18.918 -9.331 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.364 -16.612 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU B 50 7.071 -16.833 -8.051 1.00 0.00 H new ATOM 0 HG LEU B 50 4.880 -16.685 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU B 50 5.875 -14.517 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU B 50 5.245 -14.535 -9.064 1.00 0.00 H new ATOM 0 HD13 LEU B 50 6.997 -14.663 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.709 -16.607 -11.780 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.885 -16.892 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU B 50 6.683 -18.141 -10.877 1.00 0.00 H new ATOM 1978 N GLY B 51 7.750 -19.005 -6.787 1.00 0.00 N ATOM 1979 CA GLY B 51 8.968 -19.644 -6.315 1.00 0.00 C ATOM 1980 C GLY B 51 10.152 -18.700 -6.536 1.00 0.00 C ATOM 1981 O GLY B 51 11.298 -19.167 -6.476 1.00 0.00 O ATOM 0 H GLY B 51 7.385 -18.285 -6.163 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.877 -19.890 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.131 -20.581 -6.847 1.00 0.00 H new ATOM 1985 N LEU B 52 9.856 -17.411 -6.784 1.00 0.00 N ATOM 1986 CA LEU B 52 10.889 -16.415 -7.010 1.00 0.00 C ATOM 1987 C LEU B 52 11.587 -16.099 -5.687 1.00 0.00 C ATOM 1988 O LEU B 52 12.438 -16.895 -5.264 1.00 0.00 O ATOM 1989 CB LEU B 52 10.303 -15.184 -7.705 1.00 0.00 C ATOM 1990 CG LEU B 52 9.753 -15.407 -9.116 1.00 0.00 C ATOM 1991 CD1 LEU B 52 9.469 -14.074 -9.811 1.00 0.00 C ATOM 1992 CD2 LEU B 52 10.694 -16.292 -9.936 1.00 0.00 C ATOM 0 H LEU B 52 8.905 -17.046 -6.831 1.00 0.00 H new ATOM 0 HA LEU B 52 11.650 -16.804 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.501 -14.788 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU B 52 11.076 -14.417 -7.755 1.00 0.00 H new ATOM 0 HG LEU B 52 8.803 -15.935 -9.034 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.079 -14.261 -10.812 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.734 -13.512 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.391 -13.497 -9.883 1.00 0.00 H new ATOM 0 HD21 LEU B 52 10.281 -16.435 -10.934 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.670 -15.812 -10.013 1.00 0.00 H new ATOM 0 HD23 LEU B 52 10.803 -17.260 -9.446 1.00 0.00 H new ATOM 2004 N ASN B 53 11.220 -14.961 -5.069 1.00 0.00 N ATOM 2005 CA ASN B 53 11.807 -14.548 -3.805 1.00 0.00 C ATOM 2006 C ASN B 53 11.102 -13.284 -3.310 1.00 0.00 C ATOM 2007 O ASN B 53 11.382 -12.202 -3.850 1.00 0.00 O ATOM 2008 CB ASN B 53 13.294 -14.228 -3.967 1.00 0.00 C ATOM 2009 CG ASN B 53 14.143 -15.066 -3.009 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.030 -15.804 -3.408 1.00 0.00 O ATOM 2011 ND2 ASN B 53 13.824 -14.911 -1.728 1.00 0.00 N ATOM 0 H ASN B 53 10.518 -14.318 -5.435 1.00 0.00 H new ATOM 0 HA ASN B 53 11.690 -15.367 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.601 -14.421 -4.995 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.464 -13.168 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN B 53 14.333 -15.426 -1.010 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.070 -14.277 -1.463 1.00 0.00 H new ATOM 2018 N ILE B 54 10.217 -13.440 -2.310 1.00 0.00 N ATOM 2019 CA ILE B 54 9.482 -12.319 -1.750 1.00 0.00 C ATOM 2020 C ILE B 54 10.413 -11.110 -1.635 1.00 0.00 C ATOM 2021 O ILE B 54 9.999 -10.008 -2.025 1.00 0.00 O ATOM 2022 CB ILE B 54 8.825 -12.717 -0.427 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.325 -12.958 -0.612 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.109 -11.678 0.660 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.067 -14.002 -1.699 1.00 0.00 C ATOM 0 H ILE B 54 10.001 -14.339 -1.880 1.00 0.00 H new ATOM 0 HA ILE B 54 8.665 -12.031 -2.411 1.00 0.00 H new ATOM 0 HB ILE B 54 9.264 -13.658 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.888 -13.292 0.329 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.833 -12.022 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.631 -11.985 1.590 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.185 -11.598 0.814 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.714 -10.710 0.351 1.00 0.00 H new ATOM 0 HD11 ILE B 54 5.993 -14.154 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE B 54 7.484 -13.654 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.540 -14.943 -1.419 1.00 0.00 H new ATOM 2037 N GLU B 55 11.631 -11.335 -1.111 1.00 0.00 N ATOM 2038 CA GLU B 55 12.608 -10.272 -0.949 1.00 0.00 C ATOM 2039 C GLU B 55 12.959 -9.694 -2.322 1.00 0.00 C ATOM 2040 O GLU B 55 12.740 -8.492 -2.529 1.00 0.00 O ATOM 2041 CB GLU B 55 13.861 -10.767 -0.225 1.00 0.00 C ATOM 2042 CG GLU B 55 14.183 -9.883 0.981 1.00 0.00 C ATOM 2043 CD GLU B 55 15.522 -10.276 1.609 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.392 -10.750 0.784 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.701 -10.132 2.828 1.00 0.00 O ATOM 0 H GLU B 55 11.952 -12.250 -0.795 1.00 0.00 H new ATOM 0 HA GLU B 55 12.173 -9.488 -0.330 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.713 -11.796 0.103 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.706 -10.770 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.215 -8.838 0.672 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.390 -9.972 1.723 1.00 0.00 H new ATOM 2052 N ALA B 56 13.489 -10.547 -3.216 1.00 0.00 N ATOM 2053 CA ALA B 56 13.867 -10.123 -4.554 1.00 0.00 C ATOM 2054 C ALA B 56 12.732 -9.295 -5.161 1.00 0.00 C ATOM 2055 O ALA B 56 12.956 -8.111 -5.450 1.00 0.00 O ATOM 2056 CB ALA B 56 14.034 -11.348 -5.455 1.00 0.00 C ATOM 0 H ALA B 56 13.661 -11.534 -3.025 1.00 0.00 H new ATOM 0 HA ALA B 56 14.793 -9.551 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.317 -11.027 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA B 56 14.811 -11.996 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.093 -11.896 -5.502 1.00 0.00 H new ATOM 2062 N ALA B 57 11.557 -9.925 -5.339 1.00 0.00 N ATOM 2063 CA ALA B 57 10.401 -9.252 -5.905 1.00 0.00 C ATOM 2064 C ALA B 57 10.241 -7.880 -5.248 1.00 0.00 C ATOM 2065 O ALA B 57 10.422 -6.868 -5.940 1.00 0.00 O ATOM 2066 CB ALA B 57 9.132 -10.038 -5.571 1.00 0.00 C ATOM 0 H ALA B 57 11.395 -10.902 -5.095 1.00 0.00 H new ATOM 0 HA ALA B 57 10.545 -9.169 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.267 -9.530 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.205 -11.042 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA B 57 9.018 -10.103 -4.489 1.00 0.00 H new ATOM 2072 N THR B 58 9.911 -7.872 -3.944 1.00 0.00 N ATOM 2073 CA THR B 58 9.730 -6.636 -3.202 1.00 0.00 C ATOM 2074 C THR B 58 10.902 -5.695 -3.493 1.00 0.00 C ATOM 2075 O THR B 58 10.704 -4.473 -3.440 1.00 0.00 O ATOM 2076 CB THR B 58 9.578 -6.974 -1.718 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.663 -5.996 -1.230 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.858 -6.714 -0.923 1.00 0.00 C ATOM 0 H THR B 58 9.766 -8.717 -3.391 1.00 0.00 H new ATOM 0 HA THR B 58 8.825 -6.113 -3.510 1.00 0.00 H new ATOM 0 HB THR B 58 9.292 -8.021 -1.613 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.317 -6.278 -0.358 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.695 -6.971 0.124 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.666 -7.325 -1.325 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.127 -5.661 -1.001 1.00 0.00 H new ATOM 2086 N HIS B 59 12.080 -6.274 -3.788 1.00 0.00 N ATOM 2087 CA HIS B 59 13.268 -5.493 -4.084 1.00 0.00 C ATOM 2088 C HIS B 59 13.012 -4.630 -5.321 1.00 0.00 C ATOM 2089 O HIS B 59 12.977 -3.399 -5.183 1.00 0.00 O ATOM 2090 CB HIS B 59 14.493 -6.397 -4.236 1.00 0.00 C ATOM 2091 CG HIS B 59 15.757 -5.825 -3.638 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.965 -5.807 -4.313 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.987 -5.249 -2.424 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.873 -5.245 -3.531 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.266 -4.899 -2.359 1.00 0.00 N ATOM 0 H HIS B 59 12.222 -7.283 -3.825 1.00 0.00 H new ATOM 0 HA HIS B 59 13.487 -4.825 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.283 -7.358 -3.766 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.660 -6.590 -5.296 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.252 -5.102 -1.646 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.913 -5.088 -3.777 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.719 -4.447 -1.565 1.00 0.00 H new ATOM 2103 N VAL B 60 12.840 -5.282 -6.485 1.00 0.00 N ATOM 2104 CA VAL B 60 12.589 -4.578 -7.731 1.00 0.00 C ATOM 2105 C VAL B 60 11.455 -3.573 -7.525 1.00 0.00 C ATOM 2106 O VAL B 60 11.549 -2.459 -8.061 1.00 0.00 O ATOM 2107 CB VAL B 60 12.303 -5.582 -8.850 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.284 -5.019 -9.844 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.593 -5.994 -9.561 1.00 0.00 C ATOM 0 H VAL B 60 12.872 -6.297 -6.577 1.00 0.00 H new ATOM 0 HA VAL B 60 13.471 -4.014 -8.036 1.00 0.00 H new ATOM 0 HB VAL B 60 11.872 -6.475 -8.397 1.00 0.00 H new ATOM 0 HG11 VAL B 60 11.098 -5.752 -10.629 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.351 -4.800 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.676 -4.104 -10.287 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.361 -6.708 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL B 60 14.066 -5.113 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.272 -6.455 -8.844 1.00 0.00 H new ATOM 2119 N GLY B 61 10.422 -3.977 -6.765 1.00 0.00 N ATOM 2120 CA GLY B 61 9.283 -3.118 -6.493 1.00 0.00 C ATOM 2121 C GLY B 61 9.763 -1.853 -5.777 1.00 0.00 C ATOM 2122 O GLY B 61 9.350 -0.756 -6.180 1.00 0.00 O ATOM 0 H GLY B 61 10.364 -4.899 -6.332 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.781 -2.855 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.555 -3.645 -5.876 1.00 0.00 H new ATOM 2126 N LYS B 62 10.613 -2.028 -4.750 1.00 0.00 N ATOM 2127 CA LYS B 62 11.141 -0.909 -3.989 1.00 0.00 C ATOM 2128 C LYS B 62 11.776 0.101 -4.948 1.00 0.00 C ATOM 2129 O LYS B 62 11.694 1.307 -4.673 1.00 0.00 O ATOM 2130 CB LYS B 62 12.094 -1.404 -2.900 1.00 0.00 C ATOM 2131 CG LYS B 62 13.243 -0.417 -2.685 1.00 0.00 C ATOM 2132 CD LYS B 62 12.721 0.927 -2.173 1.00 0.00 C ATOM 2133 CE LYS B 62 13.437 2.091 -2.861 1.00 0.00 C ATOM 2134 NZ LYS B 62 14.353 2.760 -1.924 1.00 0.00 N ATOM 0 H LYS B 62 10.943 -2.941 -4.436 1.00 0.00 H new ATOM 0 HA LYS B 62 10.337 -0.391 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.547 -1.539 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.495 -2.379 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.954 -0.831 -1.971 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.781 -0.270 -3.621 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.648 0.997 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.868 0.991 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.994 1.724 -3.723 1.00 0.00 H new ATOM 0 HE3 LYS B 62 12.704 2.806 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 14.830 3.547 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.814 3.127 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 15.063 2.079 -1.587 1.00 0.00 H new ATOM 2148 N GLN B 63 12.384 -0.404 -6.036 1.00 0.00 N ATOM 2149 CA GLN B 63 13.025 0.448 -7.025 1.00 0.00 C ATOM 2150 C GLN B 63 11.951 1.145 -7.863 1.00 0.00 C ATOM 2151 O GLN B 63 12.112 2.339 -8.153 1.00 0.00 O ATOM 2152 CB GLN B 63 13.986 -0.346 -7.912 1.00 0.00 C ATOM 2153 CG GLN B 63 15.414 -0.285 -7.365 1.00 0.00 C ATOM 2154 CD GLN B 63 15.607 -1.283 -6.223 1.00 0.00 C ATOM 2155 OE1 GLN B 63 15.179 -2.512 -6.500 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.109 -0.960 -5.159 1.00 0.00 N flip ATOM 0 H GLN B 63 12.439 -1.401 -6.243 1.00 0.00 H new ATOM 0 HA GLN B 63 13.621 1.200 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.659 -1.384 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.964 0.053 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN B 63 16.123 -0.500 -8.165 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.629 0.723 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.417 0.001 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.221 -1.651 -4.417 1.00 0.00 H new ATOM 2165 N ILE B 64 10.895 0.397 -8.231 1.00 0.00 N ATOM 2166 CA ILE B 64 9.808 0.939 -9.028 1.00 0.00 C ATOM 2167 C ILE B 64 9.157 2.099 -8.274 1.00 0.00 C ATOM 2168 O ILE B 64 8.824 3.107 -8.914 1.00 0.00 O ATOM 2169 CB ILE B 64 8.827 -0.168 -9.419 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.884 -0.445 -10.924 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.409 0.165 -8.952 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.296 0.723 -11.718 1.00 0.00 C ATOM 0 H ILE B 64 10.782 -0.586 -7.982 1.00 0.00 H new ATOM 0 HA ILE B 64 10.188 1.342 -9.966 1.00 0.00 H new ATOM 0 HB ILE B 64 9.127 -1.084 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.917 -0.613 -11.228 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.333 -1.358 -11.151 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.732 -0.638 -9.243 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.399 0.273 -7.867 1.00 0.00 H new ATOM 0 HG23 ILE B 64 7.084 1.098 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE B 64 8.348 0.501 -12.784 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.256 0.872 -11.429 1.00 0.00 H new ATOM 0 HD13 ILE B 64 8.864 1.629 -11.507 1.00 0.00 H new ATOM 2184 N VAL B 65 8.991 1.938 -6.949 1.00 0.00 N ATOM 2185 CA VAL B 65 8.386 2.965 -6.117 1.00 0.00 C ATOM 2186 C VAL B 65 9.340 4.156 -6.011 1.00 0.00 C ATOM 2187 O VAL B 65 8.884 5.295 -6.191 1.00 0.00 O ATOM 2188 CB VAL B 65 8.005 2.379 -4.756 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.621 3.486 -3.771 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.877 1.355 -4.896 1.00 0.00 C ATOM 0 H VAL B 65 9.272 1.100 -6.441 1.00 0.00 H new ATOM 0 HA VAL B 65 7.463 3.328 -6.568 1.00 0.00 H new ATOM 0 HB VAL B 65 8.878 1.863 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.354 3.043 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.465 4.162 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.769 4.042 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.626 0.954 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.999 1.837 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL B 65 7.201 0.543 -5.547 1.00 0.00 H new ATOM 2200 N GLU B 66 10.623 3.876 -5.724 1.00 0.00 N ATOM 2201 CA GLU B 66 11.629 4.916 -5.594 1.00 0.00 C ATOM 2202 C GLU B 66 11.663 5.749 -6.878 1.00 0.00 C ATOM 2203 O GLU B 66 11.934 6.955 -6.790 1.00 0.00 O ATOM 2204 CB GLU B 66 13.008 4.331 -5.285 1.00 0.00 C ATOM 2205 CG GLU B 66 14.001 4.645 -6.405 1.00 0.00 C ATOM 2206 CD GLU B 66 15.391 4.094 -6.076 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.969 4.644 -5.063 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.877 3.186 -6.766 1.00 0.00 O ATOM 0 H GLU B 66 10.978 2.931 -5.579 1.00 0.00 H new ATOM 0 HA GLU B 66 11.361 5.557 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.376 4.737 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.928 3.251 -5.157 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.647 4.213 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU B 66 14.059 5.723 -6.553 1.00 0.00 H new ATOM 2215 N LYS B 67 11.391 5.100 -8.024 1.00 0.00 N ATOM 2216 CA LYS B 67 11.391 5.776 -9.310 1.00 0.00 C ATOM 2217 C LYS B 67 10.167 6.691 -9.400 1.00 0.00 C ATOM 2218 O LYS B 67 10.285 7.777 -9.989 1.00 0.00 O ATOM 2219 CB LYS B 67 11.483 4.760 -10.450 1.00 0.00 C ATOM 2220 CG LYS B 67 11.260 5.434 -11.805 1.00 0.00 C ATOM 2221 CD LYS B 67 11.036 4.393 -12.905 1.00 0.00 C ATOM 2222 CE LYS B 67 11.575 4.892 -14.248 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.787 6.039 -14.725 1.00 0.00 N ATOM 0 H LYS B 67 11.169 4.106 -8.074 1.00 0.00 H new ATOM 0 HA LYS B 67 12.272 6.410 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.461 4.280 -10.436 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.740 3.976 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.398 6.099 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.123 6.052 -12.054 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.530 3.460 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS B 67 9.972 4.176 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS B 67 12.621 5.180 -14.142 1.00 0.00 H new ATOM 0 HE3 LYS B 67 11.539 4.088 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 11.111 6.312 -15.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 9.781 5.777 -14.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 10.911 6.840 -14.074 1.00 0.00 H new ATOM 2237 N ILE B 68 9.038 6.246 -8.823 1.00 0.00 N ATOM 2238 CA ILE B 68 7.807 7.019 -8.839 1.00 0.00 C ATOM 2239 C ILE B 68 7.904 8.142 -7.805 1.00 0.00 C ATOM 2240 O ILE B 68 7.242 9.174 -7.991 1.00 0.00 O ATOM 2241 CB ILE B 68 6.597 6.104 -8.642 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.839 5.908 -9.957 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.688 6.630 -7.530 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.101 4.567 -9.969 1.00 0.00 C ATOM 0 H ILE B 68 8.963 5.350 -8.341 1.00 0.00 H new ATOM 0 HA ILE B 68 7.665 7.491 -9.811 1.00 0.00 H new ATOM 0 HB ILE B 68 6.956 5.124 -8.328 1.00 0.00 H new ATOM 0 HG12 ILE B 68 5.126 6.721 -10.095 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.537 5.951 -10.793 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.835 5.961 -7.410 1.00 0.00 H new ATOM 0 HG22 ILE B 68 6.247 6.677 -6.595 1.00 0.00 H new ATOM 0 HG23 ILE B 68 5.333 7.627 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.570 4.452 -10.914 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.819 3.755 -9.855 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.387 4.537 -9.146 1.00 0.00 H new ATOM 2256 N LEU B 69 8.714 7.925 -6.753 1.00 0.00 N ATOM 2257 CA LEU B 69 8.893 8.912 -5.702 1.00 0.00 C ATOM 2258 C LEU B 69 9.749 10.064 -6.231 1.00 0.00 C ATOM 2259 O LEU B 69 9.473 11.218 -5.869 1.00 0.00 O ATOM 2260 CB LEU B 69 9.458 8.255 -4.440 1.00 0.00 C ATOM 2261 CG LEU B 69 8.513 7.309 -3.696 1.00 0.00 C ATOM 2262 CD1 LEU B 69 8.936 7.150 -2.234 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.061 7.771 -3.825 1.00 0.00 C ATOM 0 H LEU B 69 9.251 7.068 -6.619 1.00 0.00 H new ATOM 0 HA LEU B 69 7.932 9.336 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.355 7.699 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU B 69 9.768 9.042 -3.752 1.00 0.00 H new ATOM 0 HG LEU B 69 8.580 6.325 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.248 6.473 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.946 6.742 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.916 8.122 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.411 7.081 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.958 8.771 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.778 7.791 -4.877 1.00 0.00 H new ATOM 2275 N LYS B 70 10.753 9.736 -7.063 1.00 0.00 N ATOM 2276 CA LYS B 70 11.639 10.737 -7.634 1.00 0.00 C ATOM 2277 C LYS B 70 10.820 11.708 -8.486 1.00 0.00 C ATOM 2278 O LYS B 70 11.266 12.851 -8.671 1.00 0.00 O ATOM 2279 CB LYS B 70 12.784 10.066 -8.395 1.00 0.00 C ATOM 2280 CG LYS B 70 12.316 9.567 -9.763 1.00 0.00 C ATOM 2281 CD LYS B 70 13.124 10.215 -10.889 1.00 0.00 C ATOM 2282 CE LYS B 70 12.908 11.729 -10.919 1.00 0.00 C ATOM 2283 NZ LYS B 70 11.559 12.048 -11.413 1.00 0.00 N ATOM 0 H LYS B 70 10.963 8.780 -7.349 1.00 0.00 H new ATOM 0 HA LYS B 70 12.111 11.323 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.604 10.773 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS B 70 13.172 9.230 -7.812 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.420 8.483 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS B 70 11.258 9.793 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS B 70 14.183 9.998 -10.752 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.831 9.783 -11.846 1.00 0.00 H new ATOM 0 HE2 LYS B 70 13.042 12.141 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.656 12.196 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 11.226 12.927 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.587 12.171 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 10.909 11.272 -11.174 1.00 0.00 H new ATOM 2297 N GLU B 71 9.658 11.245 -8.980 1.00 0.00 N ATOM 2298 CA GLU B 71 8.789 12.069 -9.803 1.00 0.00 C ATOM 2299 C GLU B 71 7.942 12.969 -8.901 1.00 0.00 C ATOM 2300 O GLU B 71 7.430 13.985 -9.395 1.00 0.00 O ATOM 2301 CB GLU B 71 7.903 11.216 -10.713 1.00 0.00 C ATOM 2302 CG GLU B 71 8.471 9.802 -10.863 1.00 0.00 C ATOM 2303 CD GLU B 71 7.612 8.965 -11.813 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.390 9.158 -11.877 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.260 8.086 -12.500 1.00 0.00 O ATOM 0 H GLU B 71 9.308 10.301 -8.817 1.00 0.00 H new ATOM 0 HA GLU B 71 9.407 12.689 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.895 11.165 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.824 11.686 -11.693 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.492 9.854 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.517 9.319 -9.887 1.00 0.00 H new