USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 993 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 166:sc= 1.92 USER MOD Set 1.2: A 39 TYR OH : rot 160:sc= 1.61 USER MOD Set 2.1: A 17 GLN :FLIP amide:sc= -3.2! C(o=-5.9!,f=-3.9!) USER MOD Set 2.2: A 115 TYR OH : rot 21:sc= -0.677 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= -0.374 (180deg=-1.53!) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00454 USER MOD Single : A 3 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-6.1!) USER MOD Single : A 4 GLN : amide:sc= -0.135 K(o=-0.14,f=-1.3) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -142:sc= -3.52! (180deg=-5.74!) USER MOD Single : A 21 THR OG1 : rot 83:sc= 0.98 USER MOD Single : A 26 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.57) USER MOD Single : A 43 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-12!) USER MOD Single : A 44 HIS : no HD1:sc= -6.15! C(o=-6.1!,f=-7.2!) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= -1.91! (180deg=-4.18!) USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0116 (180deg=-0.374) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -173:sc= -0.195 (180deg=-0.352) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.434 USER MOD Single : A 79 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.61) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 53:sc= -0.143 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.8!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.55 USER MOD Single : A 95 LYS NZ :NH3+ -172:sc= -2.69! (180deg=-2.8!) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.16 F(o=-3.4!,f=-1.2) USER MOD Single : A 103 LYS NZ :NH3+ 158:sc= -0.0519 (180deg=-0.695) USER MOD Single : A 106 ASN : amide:sc= -2.95! C(o=-3!,f=-7.6!) USER MOD Single : A 110 LYS NZ :NH3+ 143:sc= -1.59! (180deg=-2.55!) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 0:sc= 1.33 USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.000595 X(o=-0.0006,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-7.5!) USER MOD Single : A 131 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.4!) USER MOD Single : A 132 HIS :FLIP no HD1:sc= -0.452 F(o=-1.3,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -33.639 13.843 8.528 1.00 0.00 N ATOM 2 CA MET A 1 -34.355 12.732 7.839 1.00 0.00 C ATOM 3 C MET A 1 -33.579 11.428 8.032 1.00 0.00 C ATOM 4 O MET A 1 -33.314 10.707 7.091 1.00 0.00 O ATOM 5 CB MET A 1 -34.463 13.045 6.345 1.00 0.00 C ATOM 6 CG MET A 1 -34.929 14.489 6.156 1.00 0.00 C ATOM 7 SD MET A 1 -33.591 15.462 5.422 1.00 0.00 S ATOM 8 CE MET A 1 -33.888 14.995 3.700 1.00 0.00 C ATOM 0 H1 MET A 1 -34.332 14.494 8.949 1.00 0.00 H new ATOM 0 H2 MET A 1 -33.032 13.453 9.277 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.053 14.358 7.840 1.00 0.00 H new ATOM 0 HA MET A 1 -35.354 12.626 8.262 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.497 12.898 5.862 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.165 12.360 5.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.809 14.518 5.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 -35.221 14.917 7.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 -33.161 15.492 3.058 1.00 0.00 H new ATOM 0 HE2 MET A 1 -33.788 13.915 3.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 -34.894 15.297 3.410 1.00 0.00 H new ATOM 20 N SER A 2 -33.214 11.118 9.246 1.00 0.00 N ATOM 21 CA SER A 2 -32.456 9.861 9.499 1.00 0.00 C ATOM 22 C SER A 2 -31.463 9.625 8.358 1.00 0.00 C ATOM 23 O SER A 2 -31.392 8.549 7.797 1.00 0.00 O ATOM 24 CB SER A 2 -33.432 8.686 9.580 1.00 0.00 C ATOM 25 OG SER A 2 -34.758 9.187 9.691 1.00 0.00 O ATOM 0 H SER A 2 -33.408 11.682 10.074 1.00 0.00 H new ATOM 0 HA SER A 2 -31.912 9.947 10.440 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.340 8.060 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.194 8.059 10.439 1.00 0.00 H new ATOM 0 HG SER A 2 -35.388 8.438 9.742 1.00 0.00 H new ATOM 31 N HIS A 3 -30.696 10.621 8.012 1.00 0.00 N ATOM 32 CA HIS A 3 -29.708 10.454 6.909 1.00 0.00 C ATOM 33 C HIS A 3 -28.294 10.667 7.457 1.00 0.00 C ATOM 34 O HIS A 3 -27.627 11.627 7.124 1.00 0.00 O ATOM 35 CB HIS A 3 -29.992 11.480 5.810 1.00 0.00 C ATOM 36 CG HIS A 3 -31.018 10.928 4.859 1.00 0.00 C ATOM 37 ND1 HIS A 3 -31.824 9.844 5.187 1.00 0.00 N ATOM 38 CD2 HIS A 3 -31.383 11.295 3.587 1.00 0.00 C ATOM 39 CE1 HIS A 3 -32.624 9.600 4.133 1.00 0.00 C ATOM 40 NE2 HIS A 3 -32.395 10.455 3.135 1.00 0.00 N ATOM 0 H HIS A 3 -30.710 11.544 8.445 1.00 0.00 H new ATOM 0 HA HIS A 3 -29.789 9.449 6.495 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -30.352 12.410 6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -29.073 11.717 5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -30.951 12.110 3.025 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -33.360 8.810 4.099 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -32.864 10.486 2.230 1.00 0.00 H new ATOM 48 N GLN A 4 -27.833 9.779 8.295 1.00 0.00 N ATOM 49 CA GLN A 4 -26.464 9.927 8.865 1.00 0.00 C ATOM 50 C GLN A 4 -25.534 10.534 7.811 1.00 0.00 C ATOM 51 O GLN A 4 -25.502 10.102 6.676 1.00 0.00 O ATOM 52 CB GLN A 4 -25.937 8.554 9.283 1.00 0.00 C ATOM 53 CG GLN A 4 -24.777 8.727 10.264 1.00 0.00 C ATOM 54 CD GLN A 4 -23.719 7.655 9.998 1.00 0.00 C ATOM 55 OE1 GLN A 4 -24.017 6.616 9.444 1.00 0.00 O ATOM 56 NE2 GLN A 4 -22.486 7.864 10.372 1.00 0.00 N ATOM 0 H GLN A 4 -28.347 8.956 8.610 1.00 0.00 H new ATOM 0 HA GLN A 4 -26.501 10.583 9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -26.734 7.973 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -25.605 7.998 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -24.340 9.719 10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -25.139 8.649 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -22.235 8.736 10.837 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -21.773 7.155 10.199 1.00 0.00 H new ATOM 65 N ASP A 5 -24.776 11.532 8.179 1.00 0.00 N ATOM 66 CA ASP A 5 -23.849 12.167 7.199 1.00 0.00 C ATOM 67 C ASP A 5 -22.591 11.308 7.055 1.00 0.00 C ATOM 68 O ASP A 5 -21.685 11.373 7.863 1.00 0.00 O ATOM 69 CB ASP A 5 -23.463 13.563 7.696 1.00 0.00 C ATOM 70 CG ASP A 5 -24.190 13.855 9.010 1.00 0.00 C ATOM 71 OD1 ASP A 5 -25.374 14.147 8.957 1.00 0.00 O ATOM 72 OD2 ASP A 5 -23.551 13.781 10.046 1.00 0.00 O ATOM 0 H ASP A 5 -24.759 11.935 9.116 1.00 0.00 H new ATOM 0 HA ASP A 5 -24.343 12.250 6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -22.385 13.623 7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -23.725 14.312 6.949 1.00 0.00 H new ATOM 77 N ASP A 6 -22.528 10.503 6.030 1.00 0.00 N ATOM 78 CA ASP A 6 -21.330 9.640 5.830 1.00 0.00 C ATOM 79 C ASP A 6 -21.272 9.187 4.370 1.00 0.00 C ATOM 80 O ASP A 6 -22.135 8.477 3.896 1.00 0.00 O ATOM 81 CB ASP A 6 -21.428 8.414 6.741 1.00 0.00 C ATOM 82 CG ASP A 6 -20.040 8.068 7.285 1.00 0.00 C ATOM 83 OD1 ASP A 6 -19.295 8.988 7.580 1.00 0.00 O ATOM 84 OD2 ASP A 6 -19.746 6.890 7.398 1.00 0.00 O ATOM 0 H ASP A 6 -23.255 10.406 5.322 1.00 0.00 H new ATOM 0 HA ASP A 6 -20.429 10.202 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -22.113 8.614 7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -21.834 7.568 6.187 1.00 0.00 H new ATOM 89 N TYR A 7 -20.262 9.596 3.651 1.00 0.00 N ATOM 90 CA TYR A 7 -20.155 9.190 2.221 1.00 0.00 C ATOM 91 C TYR A 7 -18.677 9.086 1.830 1.00 0.00 C ATOM 92 O TYR A 7 -18.169 9.872 1.054 1.00 0.00 O ATOM 93 CB TYR A 7 -20.857 10.234 1.344 1.00 0.00 C ATOM 94 CG TYR A 7 -22.002 9.586 0.602 1.00 0.00 C ATOM 95 CD1 TYR A 7 -21.746 8.583 -0.341 1.00 0.00 C ATOM 96 CD2 TYR A 7 -23.318 9.988 0.857 1.00 0.00 C ATOM 97 CE1 TYR A 7 -22.807 7.983 -1.030 1.00 0.00 C ATOM 98 CE2 TYR A 7 -24.379 9.387 0.169 1.00 0.00 C ATOM 99 CZ TYR A 7 -24.123 8.385 -0.774 1.00 0.00 C ATOM 100 OH TYR A 7 -25.169 7.794 -1.453 1.00 0.00 O ATOM 0 H TYR A 7 -19.508 10.193 3.991 1.00 0.00 H new ATOM 0 HA TYR A 7 -20.631 8.220 2.076 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -21.227 11.052 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -20.149 10.664 0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -20.730 8.272 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -23.515 10.762 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -22.610 7.210 -1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -25.395 9.697 0.366 1.00 0.00 H new ATOM 0 HH TYR A 7 -26.016 8.188 -1.156 1.00 0.00 H new ATOM 110 N LEU A 8 -17.981 8.119 2.361 1.00 0.00 N ATOM 111 CA LEU A 8 -16.539 7.965 2.019 1.00 0.00 C ATOM 112 C LEU A 8 -15.805 9.274 2.312 1.00 0.00 C ATOM 113 O LEU A 8 -16.386 10.341 2.290 1.00 0.00 O ATOM 114 CB LEU A 8 -16.404 7.624 0.534 1.00 0.00 C ATOM 115 CG LEU A 8 -16.117 6.128 0.377 1.00 0.00 C ATOM 116 CD1 LEU A 8 -16.363 5.709 -1.074 1.00 0.00 C ATOM 117 CD2 LEU A 8 -14.658 5.842 0.751 1.00 0.00 C ATOM 0 H LEU A 8 -18.348 7.429 3.017 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.104 7.164 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.320 7.887 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.599 8.208 0.088 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.777 5.563 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.158 4.644 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.401 5.909 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.705 6.275 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.456 4.777 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.997 6.408 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.483 6.137 1.786 1.00 0.00 H new ATOM 129 N SER A 9 -14.531 9.204 2.586 1.00 0.00 N ATOM 130 CA SER A 9 -13.764 10.445 2.880 1.00 0.00 C ATOM 131 C SER A 9 -12.609 10.574 1.884 1.00 0.00 C ATOM 132 O SER A 9 -11.455 10.410 2.228 1.00 0.00 O ATOM 133 CB SER A 9 -13.216 10.379 4.307 1.00 0.00 C ATOM 134 OG SER A 9 -13.876 11.351 5.109 1.00 0.00 O ATOM 0 H SER A 9 -13.989 8.340 2.619 1.00 0.00 H new ATOM 0 HA SER A 9 -14.418 11.312 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.370 9.383 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.141 10.561 4.305 1.00 0.00 H new ATOM 0 HG SER A 9 -13.529 11.310 6.024 1.00 0.00 H new ATOM 140 N VAL A 10 -12.909 10.864 0.648 1.00 0.00 N ATOM 141 CA VAL A 10 -11.824 11.001 -0.364 1.00 0.00 C ATOM 142 C VAL A 10 -10.665 11.790 0.246 1.00 0.00 C ATOM 143 O VAL A 10 -9.559 11.777 -0.256 1.00 0.00 O ATOM 144 CB VAL A 10 -12.359 11.743 -1.589 1.00 0.00 C ATOM 145 CG1 VAL A 10 -11.185 12.275 -2.414 1.00 0.00 C ATOM 146 CG2 VAL A 10 -13.187 10.781 -2.445 1.00 0.00 C ATOM 0 H VAL A 10 -13.855 11.012 0.296 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.476 10.013 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.985 12.575 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.565 12.804 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.592 12.958 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.561 11.442 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.569 11.309 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.560 9.950 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.022 10.399 -1.858 1.00 0.00 H new ATOM 156 N GLU A 11 -10.910 12.476 1.328 1.00 0.00 N ATOM 157 CA GLU A 11 -9.825 13.266 1.975 1.00 0.00 C ATOM 158 C GLU A 11 -8.822 12.315 2.630 1.00 0.00 C ATOM 159 O GLU A 11 -7.634 12.385 2.382 1.00 0.00 O ATOM 160 CB GLU A 11 -10.430 14.182 3.041 1.00 0.00 C ATOM 161 CG GLU A 11 -9.451 15.316 3.354 1.00 0.00 C ATOM 162 CD GLU A 11 -9.464 16.332 2.210 1.00 0.00 C ATOM 163 OE1 GLU A 11 -10.024 16.020 1.172 1.00 0.00 O ATOM 164 OE2 GLU A 11 -8.914 17.406 2.392 1.00 0.00 O ATOM 0 H GLU A 11 -11.817 12.524 1.793 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.316 13.869 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.377 14.591 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.645 13.613 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.728 15.802 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.446 14.916 3.488 1.00 0.00 H new ATOM 171 N GLU A 12 -9.286 11.425 3.466 1.00 0.00 N ATOM 172 CA GLU A 12 -8.352 10.475 4.132 1.00 0.00 C ATOM 173 C GLU A 12 -7.441 9.838 3.081 1.00 0.00 C ATOM 174 O GLU A 12 -6.270 9.611 3.316 1.00 0.00 O ATOM 175 CB GLU A 12 -9.153 9.383 4.845 1.00 0.00 C ATOM 176 CG GLU A 12 -9.605 8.332 3.829 1.00 0.00 C ATOM 177 CD GLU A 12 -10.559 7.346 4.505 1.00 0.00 C ATOM 178 OE1 GLU A 12 -10.074 6.418 5.130 1.00 0.00 O ATOM 179 OE2 GLU A 12 -11.758 7.537 4.388 1.00 0.00 O ATOM 0 H GLU A 12 -10.269 11.316 3.715 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.746 11.012 4.862 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.543 8.917 5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.019 9.819 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.101 8.815 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.741 7.802 3.429 1.00 0.00 H new ATOM 186 N LEU A 13 -7.967 9.549 1.922 1.00 0.00 N ATOM 187 CA LEU A 13 -7.128 8.930 0.858 1.00 0.00 C ATOM 188 C LEU A 13 -6.039 9.917 0.430 1.00 0.00 C ATOM 189 O LEU A 13 -4.876 9.578 0.346 1.00 0.00 O ATOM 190 CB LEU A 13 -8.005 8.582 -0.347 1.00 0.00 C ATOM 191 CG LEU A 13 -9.222 7.782 0.121 1.00 0.00 C ATOM 192 CD1 LEU A 13 -10.170 7.555 -1.058 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.761 6.429 0.668 1.00 0.00 C ATOM 0 H LEU A 13 -8.940 9.715 1.666 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.665 8.022 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.327 9.493 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.433 8.003 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.741 8.336 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.037 6.985 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.498 8.517 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.651 7.001 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.627 5.857 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.242 5.877 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.085 6.587 1.508 1.00 0.00 H new ATOM 205 N ILE A 14 -6.408 11.140 0.158 1.00 0.00 N ATOM 206 CA ILE A 14 -5.395 12.148 -0.264 1.00 0.00 C ATOM 207 C ILE A 14 -4.331 12.289 0.827 1.00 0.00 C ATOM 208 O ILE A 14 -3.149 12.337 0.552 1.00 0.00 O ATOM 209 CB ILE A 14 -6.081 13.497 -0.485 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.857 13.462 -1.804 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.028 14.604 -0.543 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.843 14.631 -1.848 1.00 0.00 C ATOM 0 H ILE A 14 -7.367 11.484 0.210 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.923 11.824 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.768 13.694 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.167 13.523 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.392 12.517 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.518 15.565 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.474 14.629 0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.340 14.409 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.395 14.606 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.541 14.550 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.296 15.571 -1.774 1.00 0.00 H new ATOM 224 N GLU A 15 -4.743 12.355 2.063 1.00 0.00 N ATOM 225 CA GLU A 15 -3.754 12.492 3.170 1.00 0.00 C ATOM 226 C GLU A 15 -2.749 11.340 3.102 1.00 0.00 C ATOM 227 O GLU A 15 -1.580 11.537 2.839 1.00 0.00 O ATOM 228 CB GLU A 15 -4.483 12.456 4.515 1.00 0.00 C ATOM 229 CG GLU A 15 -3.644 13.178 5.570 1.00 0.00 C ATOM 230 CD GLU A 15 -4.465 13.350 6.848 1.00 0.00 C ATOM 231 OE1 GLU A 15 -4.581 12.387 7.589 1.00 0.00 O ATOM 232 OE2 GLU A 15 -4.965 14.442 7.066 1.00 0.00 O ATOM 0 H GLU A 15 -5.720 12.320 2.354 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.226 13.440 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.460 12.931 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.658 11.424 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.739 12.609 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.328 14.151 5.195 1.00 0.00 H new ATOM 239 N ILE A 16 -3.197 10.136 3.336 1.00 0.00 N ATOM 240 CA ILE A 16 -2.268 8.971 3.282 1.00 0.00 C ATOM 241 C ILE A 16 -1.424 9.054 2.007 1.00 0.00 C ATOM 242 O ILE A 16 -0.226 8.853 2.028 1.00 0.00 O ATOM 243 CB ILE A 16 -3.081 7.674 3.277 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.337 7.230 4.720 1.00 0.00 C ATOM 245 CG2 ILE A 16 -2.308 6.579 2.539 1.00 0.00 C ATOM 246 CD1 ILE A 16 -3.855 8.417 5.535 1.00 0.00 C ATOM 0 H ILE A 16 -4.165 9.909 3.562 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.612 8.984 4.152 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.031 7.847 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.064 6.418 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.418 6.845 5.162 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.892 5.659 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.125 6.893 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.356 6.405 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.037 8.101 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.113 9.215 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.784 8.781 5.097 1.00 0.00 H new ATOM 258 N GLN A 17 -2.041 9.347 0.896 1.00 0.00 N ATOM 259 CA GLN A 17 -1.280 9.440 -0.381 1.00 0.00 C ATOM 260 C GLN A 17 -0.125 10.432 -0.220 1.00 0.00 C ATOM 261 O GLN A 17 0.980 10.189 -0.662 1.00 0.00 O ATOM 262 CB GLN A 17 -2.216 9.922 -1.494 1.00 0.00 C ATOM 263 CG GLN A 17 -2.276 8.876 -2.610 1.00 0.00 C ATOM 264 CD GLN A 17 -1.039 9.008 -3.498 1.00 0.00 C ATOM 265 OE1 GLN A 17 -0.666 10.191 -3.904 1.00 0.00 O flip ATOM 266 NE2 GLN A 17 -0.404 8.025 -3.828 1.00 0.00 N flip ATOM 0 H GLN A 17 -3.042 9.526 0.817 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.880 8.459 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.214 10.096 -1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.862 10.873 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.325 7.875 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.180 9.013 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.695 7.100 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.419 8.125 -4.422 1.00 0.00 H new ATOM 275 N LYS A 18 -0.370 11.549 0.408 1.00 0.00 N ATOM 276 CA LYS A 18 0.715 12.554 0.592 1.00 0.00 C ATOM 277 C LYS A 18 1.844 11.943 1.422 1.00 0.00 C ATOM 278 O LYS A 18 3.009 12.192 1.181 1.00 0.00 O ATOM 279 CB LYS A 18 0.154 13.782 1.311 1.00 0.00 C ATOM 280 CG LYS A 18 -0.627 14.640 0.313 1.00 0.00 C ATOM 281 CD LYS A 18 -1.163 15.887 1.019 1.00 0.00 C ATOM 282 CE LYS A 18 -1.831 16.806 -0.005 1.00 0.00 C ATOM 283 NZ LYS A 18 -0.962 16.925 -1.211 1.00 0.00 N ATOM 0 H LYS A 18 -1.274 11.809 0.802 1.00 0.00 H new ATOM 0 HA LYS A 18 1.105 12.851 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.496 13.473 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.965 14.363 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.018 14.928 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.452 14.066 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.879 15.602 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.350 16.413 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.806 16.408 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.002 17.790 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.001 17.900 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.018 16.688 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.297 16.270 -1.946 1.00 0.00 H new ATOM 297 N GLU A 19 1.514 11.145 2.401 1.00 0.00 N ATOM 298 CA GLU A 19 2.575 10.522 3.242 1.00 0.00 C ATOM 299 C GLU A 19 3.464 9.630 2.370 1.00 0.00 C ATOM 300 O GLU A 19 4.656 9.840 2.264 1.00 0.00 O ATOM 301 CB GLU A 19 1.926 9.677 4.340 1.00 0.00 C ATOM 302 CG GLU A 19 2.926 9.465 5.479 1.00 0.00 C ATOM 303 CD GLU A 19 2.297 8.577 6.553 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.100 8.351 6.482 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.023 8.136 7.429 1.00 0.00 O ATOM 0 H GLU A 19 0.557 10.898 2.654 1.00 0.00 H new ATOM 0 HA GLU A 19 3.182 11.305 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.031 10.174 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.611 8.715 3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.836 9.002 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.213 10.425 5.908 1.00 0.00 H new ATOM 312 N GLU A 20 2.893 8.636 1.746 1.00 0.00 N ATOM 313 CA GLU A 20 3.704 7.731 0.883 1.00 0.00 C ATOM 314 C GLU A 20 4.587 8.570 -0.045 1.00 0.00 C ATOM 315 O GLU A 20 5.696 8.192 -0.371 1.00 0.00 O ATOM 316 CB GLU A 20 2.769 6.856 0.043 1.00 0.00 C ATOM 317 CG GLU A 20 3.535 5.637 -0.481 1.00 0.00 C ATOM 318 CD GLU A 20 2.895 4.356 0.058 1.00 0.00 C ATOM 319 OE1 GLU A 20 2.866 4.196 1.267 1.00 0.00 O ATOM 320 OE2 GLU A 20 2.445 3.558 -0.747 1.00 0.00 O ATOM 0 H GLU A 20 1.899 8.411 1.797 1.00 0.00 H new ATOM 0 HA GLU A 20 4.332 7.097 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.920 6.533 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.368 7.432 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.525 5.630 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.579 5.691 -0.173 1.00 0.00 H new ATOM 327 N THR A 21 4.105 9.705 -0.472 1.00 0.00 N ATOM 328 CA THR A 21 4.916 10.567 -1.376 1.00 0.00 C ATOM 329 C THR A 21 6.114 11.124 -0.607 1.00 0.00 C ATOM 330 O THR A 21 7.252 10.910 -0.972 1.00 0.00 O ATOM 331 CB THR A 21 4.054 11.725 -1.886 1.00 0.00 C ATOM 332 OG1 THR A 21 2.738 11.255 -2.142 1.00 0.00 O ATOM 333 CG2 THR A 21 4.657 12.289 -3.173 1.00 0.00 C ATOM 0 H THR A 21 3.184 10.072 -0.233 1.00 0.00 H new ATOM 0 HA THR A 21 5.269 9.977 -2.222 1.00 0.00 H new ATOM 0 HB THR A 21 4.020 12.511 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.226 11.244 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.041 13.113 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.666 12.650 -2.974 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.695 11.506 -3.931 1.00 0.00 H new ATOM 341 N ARG A 22 5.867 11.837 0.456 1.00 0.00 N ATOM 342 CA ARG A 22 6.989 12.410 1.251 1.00 0.00 C ATOM 343 C ARG A 22 8.077 11.352 1.452 1.00 0.00 C ATOM 344 O ARG A 22 9.253 11.622 1.307 1.00 0.00 O ATOM 345 CB ARG A 22 6.463 12.864 2.614 1.00 0.00 C ATOM 346 CG ARG A 22 6.010 14.322 2.526 1.00 0.00 C ATOM 347 CD ARG A 22 7.135 15.238 3.013 1.00 0.00 C ATOM 348 NE ARG A 22 7.402 14.968 4.453 1.00 0.00 N ATOM 349 CZ ARG A 22 8.496 15.413 5.009 1.00 0.00 C ATOM 350 NH1 ARG A 22 9.354 16.100 4.305 1.00 0.00 N ATOM 351 NH2 ARG A 22 8.730 15.173 6.270 1.00 0.00 N ATOM 0 H ARG A 22 4.934 12.048 0.810 1.00 0.00 H new ATOM 0 HA ARG A 22 7.411 13.261 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.631 12.232 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.242 12.759 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.745 14.570 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.116 14.473 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.038 15.068 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.856 16.282 2.873 1.00 0.00 H new ATOM 0 HE ARG A 22 6.730 14.435 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.170 16.289 3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.209 16.447 4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.058 14.638 6.821 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.585 15.520 6.705 1.00 0.00 H new ATOM 365 N ASP A 23 7.697 10.150 1.794 1.00 0.00 N ATOM 366 CA ASP A 23 8.715 9.081 2.013 1.00 0.00 C ATOM 367 C ASP A 23 9.476 8.809 0.711 1.00 0.00 C ATOM 368 O ASP A 23 10.688 8.718 0.698 1.00 0.00 O ATOM 369 CB ASP A 23 8.014 7.799 2.470 1.00 0.00 C ATOM 370 CG ASP A 23 7.470 7.990 3.887 1.00 0.00 C ATOM 371 OD1 ASP A 23 8.237 8.397 4.744 1.00 0.00 O ATOM 372 OD2 ASP A 23 6.296 7.728 4.090 1.00 0.00 O ATOM 0 H ASP A 23 6.728 9.862 1.931 1.00 0.00 H new ATOM 0 HA ASP A 23 9.420 9.408 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.201 7.554 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.712 6.962 2.447 1.00 0.00 H new ATOM 377 N ILE A 24 8.775 8.673 -0.381 1.00 0.00 N ATOM 378 CA ILE A 24 9.459 8.399 -1.677 1.00 0.00 C ATOM 379 C ILE A 24 10.333 9.595 -2.066 1.00 0.00 C ATOM 380 O ILE A 24 11.518 9.458 -2.300 1.00 0.00 O ATOM 381 CB ILE A 24 8.410 8.157 -2.763 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.789 6.771 -2.567 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.072 8.227 -4.140 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.580 6.613 -3.492 1.00 0.00 C ATOM 0 H ILE A 24 7.758 8.740 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 24 10.088 7.515 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 24 7.634 8.920 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.527 5.998 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.484 6.642 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.323 8.054 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.517 9.212 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.848 7.465 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.140 5.626 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.839 7.377 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.898 6.723 -4.529 1.00 0.00 H new ATOM 396 N ILE A 25 9.761 10.764 -2.142 1.00 0.00 N ATOM 397 CA ILE A 25 10.561 11.964 -2.519 1.00 0.00 C ATOM 398 C ILE A 25 11.805 12.052 -1.633 1.00 0.00 C ATOM 399 O ILE A 25 12.834 12.555 -2.039 1.00 0.00 O ATOM 400 CB ILE A 25 9.711 13.222 -2.326 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.392 13.064 -3.086 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.467 14.440 -2.864 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.676 12.576 -4.507 1.00 0.00 C ATOM 0 H ILE A 25 8.773 10.941 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 25 10.865 11.883 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 25 9.507 13.363 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.745 12.355 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.862 14.016 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.860 15.335 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.407 14.552 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.672 14.301 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.736 12.464 -5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.306 13.301 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.188 11.615 -4.466 1.00 0.00 H new ATOM 415 N GLN A 26 11.721 11.566 -0.425 1.00 0.00 N ATOM 416 CA GLN A 26 12.898 11.625 0.487 1.00 0.00 C ATOM 417 C GLN A 26 14.017 10.735 -0.057 1.00 0.00 C ATOM 418 O GLN A 26 15.105 11.193 -0.340 1.00 0.00 O ATOM 419 CB GLN A 26 12.490 11.131 1.876 1.00 0.00 C ATOM 420 CG GLN A 26 11.994 12.310 2.715 1.00 0.00 C ATOM 421 CD GLN A 26 13.136 13.306 2.925 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.051 14.443 2.505 1.00 0.00 O ATOM 423 NE2 GLN A 26 14.208 12.926 3.563 1.00 0.00 N ATOM 0 H GLN A 26 10.888 11.130 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 26 13.252 12.654 0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.707 10.378 1.790 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.338 10.654 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.158 12.799 2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.626 11.955 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.280 11.972 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.974 13.583 3.709 1.00 0.00 H new ATOM 432 N ALA A 27 13.758 9.464 -0.201 1.00 0.00 N ATOM 433 CA ALA A 27 14.809 8.542 -0.720 1.00 0.00 C ATOM 434 C ALA A 27 15.450 9.139 -1.976 1.00 0.00 C ATOM 435 O ALA A 27 16.656 9.160 -2.116 1.00 0.00 O ATOM 436 CB ALA A 27 14.176 7.192 -1.063 1.00 0.00 C ATOM 0 H ALA A 27 12.864 9.024 0.018 1.00 0.00 H new ATOM 0 HA ALA A 27 15.575 8.404 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.943 6.517 -1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.726 6.763 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.408 7.333 -1.823 1.00 0.00 H new ATOM 442 N LEU A 28 14.654 9.617 -2.893 1.00 0.00 N ATOM 443 CA LEU A 28 15.222 10.203 -4.139 1.00 0.00 C ATOM 444 C LEU A 28 16.047 11.447 -3.800 1.00 0.00 C ATOM 445 O LEU A 28 17.257 11.453 -3.920 1.00 0.00 O ATOM 446 CB LEU A 28 14.083 10.590 -5.085 1.00 0.00 C ATOM 447 CG LEU A 28 13.631 9.358 -5.870 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.107 9.373 -6.013 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.272 9.377 -7.259 1.00 0.00 C ATOM 0 H LEU A 28 13.636 9.627 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 28 15.865 9.466 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.247 10.999 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.415 11.370 -5.771 1.00 0.00 H new ATOM 0 HG LEU A 28 13.937 8.457 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.785 8.495 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.649 9.361 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.800 10.274 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.951 8.499 -7.820 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.965 10.279 -7.789 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.357 9.366 -7.159 1.00 0.00 H new ATOM 461 N LEU A 29 15.404 12.502 -3.379 1.00 0.00 N ATOM 462 CA LEU A 29 16.152 13.744 -3.036 1.00 0.00 C ATOM 463 C LEU A 29 17.432 13.380 -2.282 1.00 0.00 C ATOM 464 O LEU A 29 18.468 13.984 -2.470 1.00 0.00 O ATOM 465 CB LEU A 29 15.274 14.637 -2.155 1.00 0.00 C ATOM 466 CG LEU A 29 15.360 16.089 -2.635 1.00 0.00 C ATOM 467 CD1 LEU A 29 16.804 16.582 -2.525 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.898 16.176 -4.093 1.00 0.00 C ATOM 0 H LEU A 29 14.393 12.557 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 29 16.412 14.277 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.240 14.294 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.597 14.568 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 29 14.717 16.713 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.863 17.615 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.130 16.524 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.450 15.958 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.960 17.210 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.538 15.550 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.867 15.830 -4.169 1.00 0.00 H new ATOM 480 N GLU A 30 17.370 12.392 -1.431 1.00 0.00 N ATOM 481 CA GLU A 30 18.584 11.990 -0.668 1.00 0.00 C ATOM 482 C GLU A 30 19.693 11.594 -1.644 1.00 0.00 C ATOM 483 O GLU A 30 20.805 12.079 -1.567 1.00 0.00 O ATOM 484 CB GLU A 30 18.250 10.802 0.235 1.00 0.00 C ATOM 485 CG GLU A 30 18.988 10.950 1.568 1.00 0.00 C ATOM 486 CD GLU A 30 18.195 11.878 2.489 1.00 0.00 C ATOM 487 OE1 GLU A 30 17.089 12.239 2.124 1.00 0.00 O ATOM 488 OE2 GLU A 30 18.708 12.210 3.546 1.00 0.00 O ATOM 0 H GLU A 30 16.531 11.847 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 30 18.921 12.827 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.175 10.753 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.538 9.870 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.113 9.974 2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.987 11.353 1.400 1.00 0.00 H new ATOM 495 N ASP A 31 19.402 10.715 -2.564 1.00 0.00 N ATOM 496 CA ASP A 31 20.440 10.290 -3.544 1.00 0.00 C ATOM 497 C ASP A 31 21.017 11.526 -4.239 1.00 0.00 C ATOM 498 O ASP A 31 22.162 11.542 -4.648 1.00 0.00 O ATOM 499 CB ASP A 31 19.808 9.364 -4.587 1.00 0.00 C ATOM 500 CG ASP A 31 20.495 7.997 -4.545 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.714 7.968 -4.591 1.00 0.00 O ATOM 502 OD2 ASP A 31 19.791 7.004 -4.466 1.00 0.00 O ATOM 0 H ASP A 31 18.490 10.273 -2.679 1.00 0.00 H new ATOM 0 HA ASP A 31 21.238 9.759 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.742 9.252 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.905 9.800 -5.581 1.00 0.00 H new ATOM 507 N GLY A 32 20.234 12.560 -4.378 1.00 0.00 N ATOM 508 CA GLY A 32 20.739 13.792 -5.048 1.00 0.00 C ATOM 509 C GLY A 32 19.986 14.002 -6.362 1.00 0.00 C ATOM 510 O GLY A 32 20.388 14.785 -7.200 1.00 0.00 O ATOM 0 H GLY A 32 19.267 12.605 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.603 14.655 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.808 13.703 -5.239 1.00 0.00 H new ATOM 514 N SER A 33 18.898 13.308 -6.550 1.00 0.00 N ATOM 515 CA SER A 33 18.119 13.467 -7.810 1.00 0.00 C ATOM 516 C SER A 33 17.918 14.955 -8.104 1.00 0.00 C ATOM 517 O SER A 33 17.721 15.753 -7.210 1.00 0.00 O ATOM 518 CB SER A 33 16.755 12.793 -7.653 1.00 0.00 C ATOM 519 OG SER A 33 16.035 12.901 -8.874 1.00 0.00 O ATOM 0 H SER A 33 18.514 12.637 -5.885 1.00 0.00 H new ATOM 0 HA SER A 33 18.664 13.004 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.883 11.744 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.195 13.263 -6.844 1.00 0.00 H new ATOM 0 HG SER A 33 15.270 12.288 -8.858 1.00 0.00 H new ATOM 525 N ASP A 34 17.963 15.333 -9.352 1.00 0.00 N ATOM 526 CA ASP A 34 17.769 16.768 -9.703 1.00 0.00 C ATOM 527 C ASP A 34 16.389 16.950 -10.340 1.00 0.00 C ATOM 528 O ASP A 34 15.901 16.080 -11.034 1.00 0.00 O ATOM 529 CB ASP A 34 18.850 17.202 -10.699 1.00 0.00 C ATOM 530 CG ASP A 34 20.053 17.775 -9.945 1.00 0.00 C ATOM 531 OD1 ASP A 34 19.881 18.172 -8.804 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.126 17.807 -10.523 1.00 0.00 O ATOM 0 H ASP A 34 18.126 14.710 -10.143 1.00 0.00 H new ATOM 0 HA ASP A 34 17.841 17.377 -8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.161 16.351 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.448 17.950 -11.382 1.00 0.00 H new ATOM 537 N PRO A 35 15.766 18.074 -10.103 1.00 0.00 N ATOM 538 CA PRO A 35 14.417 18.381 -10.662 1.00 0.00 C ATOM 539 C PRO A 35 14.456 18.611 -12.176 1.00 0.00 C ATOM 540 O PRO A 35 13.448 18.536 -12.852 1.00 0.00 O ATOM 541 CB PRO A 35 13.998 19.662 -9.938 1.00 0.00 C ATOM 542 CG PRO A 35 15.271 20.305 -9.494 1.00 0.00 C ATOM 543 CD PRO A 35 16.281 19.178 -9.279 1.00 0.00 C ATOM 0 HA PRO A 35 13.723 17.554 -10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.436 20.321 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.354 19.439 -9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.631 21.009 -10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.119 20.869 -8.574 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.282 19.475 -9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.345 18.895 -8.228 1.00 0.00 H new ATOM 551 N ASP A 36 15.612 18.891 -12.713 1.00 0.00 N ATOM 552 CA ASP A 36 15.715 19.126 -14.181 1.00 0.00 C ATOM 553 C ASP A 36 15.952 17.794 -14.895 1.00 0.00 C ATOM 554 O ASP A 36 16.211 17.753 -16.082 1.00 0.00 O ATOM 555 CB ASP A 36 16.885 20.071 -14.464 1.00 0.00 C ATOM 556 CG ASP A 36 16.429 21.520 -14.284 1.00 0.00 C ATOM 557 OD1 ASP A 36 15.281 21.801 -14.587 1.00 0.00 O ATOM 558 OD2 ASP A 36 17.235 22.323 -13.845 1.00 0.00 O ATOM 0 H ASP A 36 16.489 18.967 -12.199 1.00 0.00 H new ATOM 0 HA ASP A 36 14.790 19.573 -14.544 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.713 19.853 -13.789 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.252 19.918 -15.479 1.00 0.00 H new ATOM 563 N ALA A 37 15.869 16.704 -14.182 1.00 0.00 N ATOM 564 CA ALA A 37 16.094 15.377 -14.822 1.00 0.00 C ATOM 565 C ALA A 37 14.765 14.822 -15.338 1.00 0.00 C ATOM 566 O ALA A 37 14.728 13.846 -16.061 1.00 0.00 O ATOM 567 CB ALA A 37 16.684 14.410 -13.793 1.00 0.00 C ATOM 0 H ALA A 37 15.655 16.675 -13.185 1.00 0.00 H new ATOM 0 HA ALA A 37 16.786 15.491 -15.656 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.849 13.439 -14.259 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.633 14.803 -13.427 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.991 14.299 -12.959 1.00 0.00 H new ATOM 573 N LEU A 38 13.672 15.435 -14.974 1.00 0.00 N ATOM 574 CA LEU A 38 12.349 14.939 -15.448 1.00 0.00 C ATOM 575 C LEU A 38 12.090 13.546 -14.869 1.00 0.00 C ATOM 576 O LEU A 38 12.976 12.717 -14.802 1.00 0.00 O ATOM 577 CB LEU A 38 12.351 14.865 -16.976 1.00 0.00 C ATOM 578 CG LEU A 38 10.926 15.049 -17.500 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.497 16.507 -17.319 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.880 14.688 -18.987 1.00 0.00 C ATOM 0 H LEU A 38 13.638 16.256 -14.370 1.00 0.00 H new ATOM 0 HA LEU A 38 11.565 15.621 -15.118 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.003 15.636 -17.387 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.748 13.904 -17.303 1.00 0.00 H new ATOM 0 HG LEU A 38 10.250 14.400 -16.944 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.481 16.637 -17.693 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.530 16.767 -16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.174 17.157 -17.874 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.865 14.819 -19.362 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.558 15.338 -19.540 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.185 13.650 -19.119 1.00 0.00 H new ATOM 592 N TYR A 39 10.882 13.283 -14.450 1.00 0.00 N ATOM 593 CA TYR A 39 10.566 11.945 -13.876 1.00 0.00 C ATOM 594 C TYR A 39 9.262 11.424 -14.486 1.00 0.00 C ATOM 595 O TYR A 39 8.361 12.182 -14.786 1.00 0.00 O ATOM 596 CB TYR A 39 10.406 12.068 -12.359 1.00 0.00 C ATOM 597 CG TYR A 39 11.713 11.723 -11.687 1.00 0.00 C ATOM 598 CD1 TYR A 39 11.995 10.394 -11.343 1.00 0.00 C ATOM 599 CD2 TYR A 39 12.645 12.730 -11.409 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.207 10.075 -10.721 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.858 12.410 -10.786 1.00 0.00 C ATOM 602 CZ TYR A 39 14.138 11.082 -10.443 1.00 0.00 C ATOM 603 OH TYR A 39 15.333 10.767 -9.830 1.00 0.00 O ATOM 0 H TYR A 39 10.100 13.938 -14.481 1.00 0.00 H new ATOM 0 HA TYR A 39 11.375 11.251 -14.102 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.105 13.082 -12.095 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.618 11.401 -12.010 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.277 9.616 -11.558 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.429 13.754 -11.675 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.424 9.051 -10.455 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.577 13.187 -10.570 1.00 0.00 H new ATOM 0 HH TYR A 39 15.982 11.483 -9.992 1.00 0.00 H new ATOM 613 N GLU A 40 9.153 10.137 -14.672 1.00 0.00 N ATOM 614 CA GLU A 40 7.906 9.571 -15.263 1.00 0.00 C ATOM 615 C GLU A 40 7.065 8.932 -14.157 1.00 0.00 C ATOM 616 O GLU A 40 7.511 8.043 -13.459 1.00 0.00 O ATOM 617 CB GLU A 40 8.269 8.515 -16.309 1.00 0.00 C ATOM 618 CG GLU A 40 8.685 9.206 -17.609 1.00 0.00 C ATOM 619 CD GLU A 40 9.813 8.414 -18.272 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.524 7.380 -18.852 1.00 0.00 O ATOM 621 OE2 GLU A 40 10.948 8.855 -18.189 1.00 0.00 O ATOM 0 H GLU A 40 9.873 9.453 -14.441 1.00 0.00 H new ATOM 0 HA GLU A 40 7.334 10.367 -15.739 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.082 7.888 -15.942 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.417 7.859 -16.490 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.832 9.278 -18.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.015 10.224 -17.402 1.00 0.00 H new ATOM 628 N ILE A 41 5.850 9.379 -13.990 1.00 0.00 N ATOM 629 CA ILE A 41 4.981 8.799 -12.927 1.00 0.00 C ATOM 630 C ILE A 41 4.170 7.637 -13.504 1.00 0.00 C ATOM 631 O ILE A 41 3.482 7.779 -14.496 1.00 0.00 O ATOM 632 CB ILE A 41 4.027 9.875 -12.400 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.685 11.254 -12.515 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.696 9.590 -10.934 1.00 0.00 C ATOM 635 CD1 ILE A 41 5.881 11.338 -11.564 1.00 0.00 C ATOM 0 H ILE A 41 5.422 10.121 -14.544 1.00 0.00 H new ATOM 0 HA ILE A 41 5.605 8.435 -12.110 1.00 0.00 H new ATOM 0 HB ILE A 41 3.111 9.863 -12.991 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.011 11.427 -13.541 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.962 12.033 -12.275 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.017 10.356 -10.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.221 8.612 -10.852 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.613 9.599 -10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.346 12.320 -11.649 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.543 11.185 -10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.608 10.569 -11.825 1.00 0.00 H new ATOM 647 N GLU A 42 4.243 6.488 -12.888 1.00 0.00 N ATOM 648 CA GLU A 42 3.477 5.316 -13.396 1.00 0.00 C ATOM 649 C GLU A 42 2.286 5.051 -12.473 1.00 0.00 C ATOM 650 O GLU A 42 2.447 4.736 -11.311 1.00 0.00 O ATOM 651 CB GLU A 42 4.384 4.084 -13.419 1.00 0.00 C ATOM 652 CG GLU A 42 3.649 2.917 -14.086 1.00 0.00 C ATOM 653 CD GLU A 42 4.417 2.473 -15.333 1.00 0.00 C ATOM 654 OE1 GLU A 42 4.730 3.328 -16.146 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.679 1.288 -15.453 1.00 0.00 O ATOM 0 H GLU A 42 4.802 6.311 -12.053 1.00 0.00 H new ATOM 0 HA GLU A 42 3.120 5.524 -14.405 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.303 4.306 -13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.672 3.813 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.557 2.085 -13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.637 3.219 -14.358 1.00 0.00 H new ATOM 662 N HIS A 43 1.090 5.176 -12.979 1.00 0.00 N ATOM 663 CA HIS A 43 -0.108 4.931 -12.129 1.00 0.00 C ATOM 664 C HIS A 43 -0.806 3.650 -12.589 1.00 0.00 C ATOM 665 O HIS A 43 -0.960 3.404 -13.769 1.00 0.00 O ATOM 666 CB HIS A 43 -1.071 6.114 -12.253 1.00 0.00 C ATOM 667 CG HIS A 43 -0.490 7.309 -11.550 1.00 0.00 C ATOM 668 ND1 HIS A 43 -1.208 8.038 -10.612 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.740 7.916 -11.635 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.413 9.032 -10.175 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.783 8.999 -10.766 1.00 0.00 N ATOM 0 H HIS A 43 0.891 5.437 -13.945 1.00 0.00 H new ATOM 0 HA HIS A 43 0.199 4.822 -11.089 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.245 6.346 -13.304 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.037 5.857 -11.819 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.164 7.854 -10.309 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.548 7.600 -12.278 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.706 9.765 -9.438 1.00 0.00 H new ATOM 679 N HIS A 44 -1.231 2.832 -11.665 1.00 0.00 N ATOM 680 CA HIS A 44 -1.921 1.567 -12.047 1.00 0.00 C ATOM 681 C HIS A 44 -3.393 1.647 -11.638 1.00 0.00 C ATOM 682 O HIS A 44 -3.723 2.082 -10.552 1.00 0.00 O ATOM 683 CB HIS A 44 -1.256 0.389 -11.331 1.00 0.00 C ATOM 684 CG HIS A 44 0.085 0.113 -11.953 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.826 -1.019 -11.642 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.834 0.811 -12.869 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.966 -0.970 -12.358 1.00 0.00 C ATOM 688 NE2 HIS A 44 2.018 0.125 -13.120 1.00 0.00 N ATOM 0 H HIS A 44 -1.130 2.985 -10.662 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.850 1.424 -13.125 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.137 0.615 -10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.889 -0.496 -11.400 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.548 1.748 -13.324 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.740 -1.722 -12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.768 0.401 -13.753 1.00 0.00 H new ATOM 696 N LEU A 45 -4.283 1.232 -12.499 1.00 0.00 N ATOM 697 CA LEU A 45 -5.732 1.286 -12.155 1.00 0.00 C ATOM 698 C LEU A 45 -6.431 0.028 -12.677 1.00 0.00 C ATOM 699 O LEU A 45 -6.099 -0.489 -13.726 1.00 0.00 O ATOM 700 CB LEU A 45 -6.366 2.521 -12.798 1.00 0.00 C ATOM 701 CG LEU A 45 -5.542 3.762 -12.448 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.529 4.031 -13.562 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.474 4.966 -12.308 1.00 0.00 C ATOM 0 H LEU A 45 -4.069 0.859 -13.424 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.843 1.341 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.413 2.397 -13.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.391 2.641 -12.446 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.015 3.597 -11.508 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.941 4.915 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.866 3.172 -13.666 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.057 4.198 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.889 5.852 -12.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.999 5.131 -13.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.199 4.775 -11.517 1.00 0.00 H new ATOM 715 N PHE A 46 -7.399 -0.465 -11.955 1.00 0.00 N ATOM 716 CA PHE A 46 -8.122 -1.687 -12.409 1.00 0.00 C ATOM 717 C PHE A 46 -9.629 -1.437 -12.357 1.00 0.00 C ATOM 718 O PHE A 46 -10.107 -0.619 -11.596 1.00 0.00 O ATOM 719 CB PHE A 46 -7.765 -2.862 -11.496 1.00 0.00 C ATOM 720 CG PHE A 46 -6.817 -2.392 -10.420 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.508 -2.025 -10.752 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.248 -2.323 -9.091 1.00 0.00 C ATOM 723 CE1 PHE A 46 -4.630 -1.588 -9.753 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.371 -1.885 -8.092 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.062 -1.518 -8.423 1.00 0.00 C ATOM 0 H PHE A 46 -7.721 -0.074 -11.070 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.829 -1.923 -13.432 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.668 -3.274 -11.046 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.305 -3.661 -12.077 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.175 -2.079 -11.778 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.258 -2.608 -8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.619 -1.305 -10.008 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.704 -1.830 -7.066 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.385 -1.181 -7.652 1.00 0.00 H new ATOM 735 N ALA A 47 -10.384 -2.137 -13.159 1.00 0.00 N ATOM 736 CA ALA A 47 -11.860 -1.939 -13.155 1.00 0.00 C ATOM 737 C ALA A 47 -12.555 -3.302 -13.175 1.00 0.00 C ATOM 738 O ALA A 47 -11.928 -4.327 -13.349 1.00 0.00 O ATOM 739 CB ALA A 47 -12.271 -1.138 -14.392 1.00 0.00 C ATOM 0 H ALA A 47 -10.042 -2.837 -13.817 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.152 -1.394 -12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.351 -0.993 -14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.775 -0.168 -14.379 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.980 -1.682 -15.291 1.00 0.00 H new ATOM 745 N GLU A 48 -13.849 -3.320 -12.997 1.00 0.00 N ATOM 746 CA GLU A 48 -14.582 -4.617 -13.005 1.00 0.00 C ATOM 747 C GLU A 48 -15.416 -4.724 -14.283 1.00 0.00 C ATOM 748 O GLU A 48 -15.924 -5.776 -14.618 1.00 0.00 O ATOM 749 CB GLU A 48 -15.503 -4.690 -11.784 1.00 0.00 C ATOM 750 CG GLU A 48 -14.661 -4.836 -10.515 1.00 0.00 C ATOM 751 CD GLU A 48 -13.758 -3.610 -10.356 1.00 0.00 C ATOM 752 OE1 GLU A 48 -14.243 -2.602 -9.868 1.00 0.00 O ATOM 753 OE2 GLU A 48 -12.598 -3.700 -10.723 1.00 0.00 O ATOM 0 H GLU A 48 -14.428 -2.494 -12.847 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.867 -5.439 -12.969 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.117 -3.791 -11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.185 -5.535 -11.880 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.310 -4.938 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.056 -5.741 -10.569 1.00 0.00 H new ATOM 760 N ASP A 49 -15.562 -3.642 -14.999 1.00 0.00 N ATOM 761 CA ASP A 49 -16.364 -3.683 -16.256 1.00 0.00 C ATOM 762 C ASP A 49 -15.623 -2.928 -17.361 1.00 0.00 C ATOM 763 O ASP A 49 -15.228 -1.792 -17.192 1.00 0.00 O ATOM 764 CB ASP A 49 -17.723 -3.023 -16.013 1.00 0.00 C ATOM 765 CG ASP A 49 -18.674 -4.033 -15.369 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.363 -5.212 -15.399 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.697 -3.610 -14.856 1.00 0.00 O ATOM 0 H ASP A 49 -15.161 -2.733 -14.769 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.510 -4.720 -16.560 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.606 -2.154 -15.366 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.139 -2.665 -16.955 1.00 0.00 H new ATOM 772 N PHE A 50 -15.432 -3.551 -18.493 1.00 0.00 N ATOM 773 CA PHE A 50 -14.718 -2.866 -19.607 1.00 0.00 C ATOM 774 C PHE A 50 -15.468 -1.588 -19.982 1.00 0.00 C ATOM 775 O PHE A 50 -14.932 -0.708 -20.627 1.00 0.00 O ATOM 776 CB PHE A 50 -14.656 -3.793 -20.823 1.00 0.00 C ATOM 777 CG PHE A 50 -15.691 -4.884 -20.680 1.00 0.00 C ATOM 778 CD1 PHE A 50 -17.052 -4.581 -20.816 1.00 0.00 C ATOM 779 CD2 PHE A 50 -15.290 -6.198 -20.412 1.00 0.00 C ATOM 780 CE1 PHE A 50 -18.011 -5.592 -20.684 1.00 0.00 C ATOM 781 CE2 PHE A 50 -16.249 -7.209 -20.280 1.00 0.00 C ATOM 782 CZ PHE A 50 -17.609 -6.906 -20.416 1.00 0.00 C ATOM 0 H PHE A 50 -15.739 -4.503 -18.693 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.706 -2.616 -19.289 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.835 -3.225 -21.736 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.661 -4.230 -20.910 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -17.361 -3.567 -21.023 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.241 -6.432 -20.307 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -19.060 -5.359 -20.789 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.940 -8.223 -20.073 1.00 0.00 H new ATOM 0 HZ PHE A 50 -18.349 -7.686 -20.314 1.00 0.00 H new ATOM 792 N ASP A 51 -16.706 -1.478 -19.584 1.00 0.00 N ATOM 793 CA ASP A 51 -17.490 -0.257 -19.918 1.00 0.00 C ATOM 794 C ASP A 51 -16.852 0.959 -19.242 1.00 0.00 C ATOM 795 O ASP A 51 -16.300 1.824 -19.892 1.00 0.00 O ATOM 796 CB ASP A 51 -18.928 -0.423 -19.421 1.00 0.00 C ATOM 797 CG ASP A 51 -19.780 0.744 -19.921 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.794 1.768 -19.259 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.404 0.593 -20.959 1.00 0.00 O ATOM 0 H ASP A 51 -17.208 -2.181 -19.042 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.494 -0.111 -20.998 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.340 -1.367 -19.778 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.945 -0.459 -18.332 1.00 0.00 H new ATOM 804 N LYS A 52 -16.921 1.031 -17.941 1.00 0.00 N ATOM 805 CA LYS A 52 -16.318 2.189 -17.226 1.00 0.00 C ATOM 806 C LYS A 52 -14.814 2.232 -17.504 1.00 0.00 C ATOM 807 O LYS A 52 -14.199 3.279 -17.481 1.00 0.00 O ATOM 808 CB LYS A 52 -16.554 2.041 -15.721 1.00 0.00 C ATOM 809 CG LYS A 52 -15.687 0.903 -15.177 1.00 0.00 C ATOM 810 CD LYS A 52 -16.033 0.657 -13.707 1.00 0.00 C ATOM 811 CE LYS A 52 -15.614 -0.761 -13.314 1.00 0.00 C ATOM 812 NZ LYS A 52 -14.802 -0.712 -12.065 1.00 0.00 N ATOM 0 H LYS A 52 -17.369 0.337 -17.343 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.780 3.112 -17.576 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.311 2.973 -15.211 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.607 1.836 -15.526 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.853 -0.004 -15.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.631 1.156 -15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.524 1.386 -13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.103 0.789 -13.547 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.496 -1.383 -13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.036 -1.217 -14.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.844 -1.635 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.814 -0.489 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.181 0.022 -11.433 1.00 0.00 H new ATOM 826 N LEU A 53 -14.218 1.102 -17.769 1.00 0.00 N ATOM 827 CA LEU A 53 -12.755 1.079 -18.049 1.00 0.00 C ATOM 828 C LEU A 53 -12.458 1.919 -19.292 1.00 0.00 C ATOM 829 O LEU A 53 -11.670 2.843 -19.256 1.00 0.00 O ATOM 830 CB LEU A 53 -12.303 -0.363 -18.290 1.00 0.00 C ATOM 831 CG LEU A 53 -10.802 -0.481 -18.019 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.407 -1.956 -17.956 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.025 0.207 -19.145 1.00 0.00 C ATOM 0 H LEU A 53 -14.681 0.194 -17.804 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.217 1.491 -17.195 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.855 -1.042 -17.640 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.522 -0.657 -19.317 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.567 -0.002 -17.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.337 -2.038 -17.763 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.959 -2.447 -17.155 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.642 -2.437 -18.906 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.955 0.123 -18.953 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.261 -0.272 -20.095 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.304 1.260 -19.190 1.00 0.00 H new ATOM 845 N GLU A 54 -13.081 1.604 -20.394 1.00 0.00 N ATOM 846 CA GLU A 54 -12.831 2.384 -21.639 1.00 0.00 C ATOM 847 C GLU A 54 -13.156 3.860 -21.392 1.00 0.00 C ATOM 848 O GLU A 54 -12.434 4.741 -21.812 1.00 0.00 O ATOM 849 CB GLU A 54 -13.719 1.845 -22.765 1.00 0.00 C ATOM 850 CG GLU A 54 -13.089 2.180 -24.120 1.00 0.00 C ATOM 851 CD GLU A 54 -14.145 2.801 -25.035 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.887 2.049 -25.645 1.00 0.00 O ATOM 853 OE2 GLU A 54 -14.193 4.017 -25.111 1.00 0.00 O ATOM 0 H GLU A 54 -13.752 0.841 -20.486 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.784 2.287 -21.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.837 0.766 -22.664 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.715 2.282 -22.697 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.257 2.872 -23.985 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.682 1.278 -24.577 1.00 0.00 H new ATOM 860 N LYS A 55 -14.237 4.136 -20.714 1.00 0.00 N ATOM 861 CA LYS A 55 -14.602 5.555 -20.444 1.00 0.00 C ATOM 862 C LYS A 55 -13.488 6.225 -19.635 1.00 0.00 C ATOM 863 O LYS A 55 -12.884 7.185 -20.070 1.00 0.00 O ATOM 864 CB LYS A 55 -15.911 5.604 -19.650 1.00 0.00 C ATOM 865 CG LYS A 55 -17.080 5.259 -20.573 1.00 0.00 C ATOM 866 CD LYS A 55 -18.402 5.476 -19.832 1.00 0.00 C ATOM 867 CE LYS A 55 -19.543 4.844 -20.631 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.566 5.419 -22.006 1.00 0.00 N ATOM 0 H LYS A 55 -14.882 3.441 -20.336 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.731 6.082 -21.389 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.871 4.901 -18.818 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.052 6.596 -19.222 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.046 5.882 -21.467 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.002 4.223 -20.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.351 5.033 -18.837 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.585 6.542 -19.697 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.412 3.763 -20.680 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.495 5.027 -20.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.479 5.206 -22.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.438 6.450 -21.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.797 5.003 -22.569 1.00 0.00 H new ATOM 882 N ALA A 56 -13.213 5.727 -18.460 1.00 0.00 N ATOM 883 CA ALA A 56 -12.139 6.334 -17.624 1.00 0.00 C ATOM 884 C ALA A 56 -10.836 6.399 -18.422 1.00 0.00 C ATOM 885 O ALA A 56 -10.258 7.453 -18.602 1.00 0.00 O ATOM 886 CB ALA A 56 -11.928 5.481 -16.371 1.00 0.00 C ATOM 0 H ALA A 56 -13.686 4.925 -18.043 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.434 7.343 -17.335 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.143 5.923 -15.758 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.855 5.439 -15.799 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.636 4.472 -16.663 1.00 0.00 H new ATOM 892 N ALA A 57 -10.363 5.280 -18.898 1.00 0.00 N ATOM 893 CA ALA A 57 -9.094 5.277 -19.680 1.00 0.00 C ATOM 894 C ALA A 57 -9.111 6.423 -20.695 1.00 0.00 C ATOM 895 O ALA A 57 -8.296 7.323 -20.642 1.00 0.00 O ATOM 896 CB ALA A 57 -8.952 3.944 -20.418 1.00 0.00 C ATOM 0 H ALA A 57 -10.801 4.367 -18.779 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.252 5.409 -19.001 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.024 3.942 -20.990 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.935 3.128 -19.695 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.796 3.811 -21.095 1.00 0.00 H new ATOM 902 N VAL A 58 -10.030 6.395 -21.620 1.00 0.00 N ATOM 903 CA VAL A 58 -10.095 7.482 -22.639 1.00 0.00 C ATOM 904 C VAL A 58 -9.781 8.826 -21.976 1.00 0.00 C ATOM 905 O VAL A 58 -8.943 9.575 -22.436 1.00 0.00 O ATOM 906 CB VAL A 58 -11.501 7.519 -23.252 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.873 8.957 -23.624 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.526 6.649 -24.509 1.00 0.00 C ATOM 0 H VAL A 58 -10.739 5.667 -21.715 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.363 7.292 -23.424 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.219 7.141 -22.525 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.873 8.973 -24.058 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.856 9.580 -22.730 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.156 9.342 -24.349 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.523 6.672 -24.948 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.803 7.031 -25.230 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.269 5.623 -24.246 1.00 0.00 H new ATOM 918 N GLU A 59 -10.452 9.138 -20.902 1.00 0.00 N ATOM 919 CA GLU A 59 -10.199 10.436 -20.214 1.00 0.00 C ATOM 920 C GLU A 59 -8.713 10.553 -19.863 1.00 0.00 C ATOM 921 O GLU A 59 -8.045 11.489 -20.259 1.00 0.00 O ATOM 922 CB GLU A 59 -11.034 10.503 -18.933 1.00 0.00 C ATOM 923 CG GLU A 59 -12.127 11.561 -19.091 1.00 0.00 C ATOM 924 CD GLU A 59 -12.968 11.247 -20.330 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.724 10.291 -20.281 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.841 11.968 -21.306 1.00 0.00 O ATOM 0 H GLU A 59 -11.165 8.550 -20.470 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.478 11.257 -20.875 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.481 9.531 -18.727 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.397 10.747 -18.083 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.760 11.580 -18.204 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.679 12.550 -19.184 1.00 0.00 H new ATOM 933 N ALA A 60 -8.191 9.617 -19.121 1.00 0.00 N ATOM 934 CA ALA A 60 -6.750 9.681 -18.744 1.00 0.00 C ATOM 935 C ALA A 60 -5.928 10.165 -19.940 1.00 0.00 C ATOM 936 O ALA A 60 -5.089 11.036 -19.818 1.00 0.00 O ATOM 937 CB ALA A 60 -6.270 8.289 -18.321 1.00 0.00 C ATOM 0 H ALA A 60 -8.699 8.810 -18.759 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.623 10.376 -17.914 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.216 8.336 -18.045 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.854 7.947 -17.467 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.398 7.593 -19.150 1.00 0.00 H new ATOM 943 N PHE A 61 -6.160 9.606 -21.097 1.00 0.00 N ATOM 944 CA PHE A 61 -5.390 10.032 -22.300 1.00 0.00 C ATOM 945 C PHE A 61 -5.689 11.501 -22.610 1.00 0.00 C ATOM 946 O PHE A 61 -4.811 12.261 -22.964 1.00 0.00 O ATOM 947 CB PHE A 61 -5.794 9.166 -23.495 1.00 0.00 C ATOM 948 CG PHE A 61 -4.992 9.572 -24.709 1.00 0.00 C ATOM 949 CD1 PHE A 61 -5.465 10.582 -25.554 1.00 0.00 C ATOM 950 CD2 PHE A 61 -3.776 8.936 -24.988 1.00 0.00 C ATOM 951 CE1 PHE A 61 -4.721 10.958 -26.680 1.00 0.00 C ATOM 952 CE2 PHE A 61 -3.032 9.313 -26.113 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.504 10.322 -26.959 1.00 0.00 C ATOM 0 H PHE A 61 -6.850 8.873 -21.261 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.324 9.914 -22.107 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.623 8.114 -23.269 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.859 9.280 -23.696 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.403 11.072 -25.338 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.412 8.155 -24.336 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.085 11.738 -27.333 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.093 8.824 -26.328 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.930 10.611 -27.827 1.00 0.00 H new ATOM 963 N LYS A 62 -6.923 11.906 -22.480 1.00 0.00 N ATOM 964 CA LYS A 62 -7.276 13.325 -22.769 1.00 0.00 C ATOM 965 C LYS A 62 -6.492 14.249 -21.834 1.00 0.00 C ATOM 966 O LYS A 62 -6.002 15.286 -22.237 1.00 0.00 O ATOM 967 CB LYS A 62 -8.778 13.531 -22.550 1.00 0.00 C ATOM 968 CG LYS A 62 -9.439 13.939 -23.869 1.00 0.00 C ATOM 969 CD LYS A 62 -9.188 15.426 -24.127 1.00 0.00 C ATOM 970 CE LYS A 62 -8.913 15.647 -25.615 1.00 0.00 C ATOM 971 NZ LYS A 62 -8.751 17.105 -25.881 1.00 0.00 N ATOM 0 H LYS A 62 -7.701 11.316 -22.186 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.023 13.558 -23.803 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.230 12.613 -22.174 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.943 14.300 -21.796 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.037 13.344 -24.689 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.510 13.742 -23.827 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.053 16.011 -23.816 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.340 15.771 -23.535 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.012 15.110 -25.913 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.734 15.247 -26.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.564 17.255 -26.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.622 17.606 -25.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.954 17.473 -25.324 1.00 0.00 H new ATOM 985 N MET A 63 -6.370 13.883 -20.588 1.00 0.00 N ATOM 986 CA MET A 63 -5.619 14.742 -19.630 1.00 0.00 C ATOM 987 C MET A 63 -4.131 14.718 -19.982 1.00 0.00 C ATOM 988 O MET A 63 -3.488 15.745 -20.076 1.00 0.00 O ATOM 989 CB MET A 63 -5.815 14.211 -18.207 1.00 0.00 C ATOM 990 CG MET A 63 -7.266 14.434 -17.774 1.00 0.00 C ATOM 991 SD MET A 63 -7.387 14.298 -15.974 1.00 0.00 S ATOM 992 CE MET A 63 -8.045 12.614 -15.920 1.00 0.00 C ATOM 0 H MET A 63 -6.758 13.027 -20.192 1.00 0.00 H new ATOM 0 HA MET A 63 -5.990 15.765 -19.691 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.571 13.149 -18.167 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.137 14.720 -17.521 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.606 15.417 -18.099 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.915 13.699 -18.249 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.316 12.362 -14.895 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.928 12.548 -16.556 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.288 11.916 -16.277 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.577 13.554 -20.180 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.131 13.465 -20.527 1.00 0.00 C ATOM 1004 C GLY A 64 -1.525 12.221 -19.879 1.00 0.00 C ATOM 1005 O GLY A 64 -0.370 12.204 -19.502 1.00 0.00 O ATOM 0 H GLY A 64 -4.064 12.660 -20.116 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.008 13.420 -21.609 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.608 14.358 -20.184 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.296 11.177 -19.746 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.765 9.932 -19.125 1.00 0.00 C ATOM 1011 C PHE A 65 -1.603 8.856 -20.199 1.00 0.00 C ATOM 1012 O PHE A 65 -2.557 8.444 -20.829 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.742 9.441 -18.054 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.502 10.197 -16.770 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.539 9.742 -15.861 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -3.241 11.352 -16.488 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.314 10.443 -14.671 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -3.016 12.053 -15.297 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.054 11.598 -14.388 1.00 0.00 C ATOM 0 H PHE A 65 -3.271 11.133 -20.041 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.797 10.137 -18.668 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.769 9.588 -18.389 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.610 8.372 -17.889 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.970 8.850 -16.078 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.984 11.702 -17.189 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.570 10.093 -13.971 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.585 12.945 -15.080 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.882 12.138 -13.468 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.401 8.397 -20.415 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.179 7.347 -21.450 1.00 0.00 C ATOM 1031 C GLU A 66 -0.799 6.031 -20.980 1.00 0.00 C ATOM 1032 O GLU A 66 -0.142 5.203 -20.380 1.00 0.00 O ATOM 1033 CB GLU A 66 1.324 7.157 -21.668 1.00 0.00 C ATOM 1034 CG GLU A 66 1.552 6.207 -22.846 1.00 0.00 C ATOM 1035 CD GLU A 66 2.977 5.652 -22.787 1.00 0.00 C ATOM 1036 OE1 GLU A 66 3.833 6.331 -22.246 1.00 0.00 O ATOM 1037 OE2 GLU A 66 3.185 4.557 -23.282 1.00 0.00 O ATOM 0 H GLU A 66 0.437 8.703 -19.920 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.645 7.653 -22.387 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.798 8.118 -21.865 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.785 6.753 -20.767 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.831 5.390 -22.813 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.394 6.734 -23.787 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.061 5.831 -21.246 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.724 4.570 -20.814 1.00 0.00 C ATOM 1046 C VAL A 67 -2.057 3.380 -21.511 1.00 0.00 C ATOM 1047 O VAL A 67 -1.841 3.392 -22.706 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.207 4.622 -21.187 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.357 4.500 -22.705 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.943 3.465 -20.506 1.00 0.00 C ATOM 0 H VAL A 67 -2.661 6.488 -21.744 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.627 4.456 -19.734 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.633 5.569 -20.856 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.414 4.537 -22.970 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.832 5.323 -23.190 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.932 3.553 -23.038 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.000 3.500 -20.770 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.517 2.518 -20.837 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.836 3.552 -19.425 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.726 2.355 -20.772 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.069 1.170 -21.392 1.00 0.00 C ATOM 1062 C LEU A 68 -2.043 -0.011 -21.403 1.00 0.00 C ATOM 1063 O LEU A 68 -2.896 -0.133 -20.545 1.00 0.00 O ATOM 1064 CB LEU A 68 0.177 0.798 -20.583 1.00 0.00 C ATOM 1065 CG LEU A 68 1.406 0.819 -21.495 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.673 0.709 -20.646 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.340 -0.363 -22.465 1.00 0.00 C ATOM 0 H LEU A 68 -1.882 2.288 -19.766 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.781 1.409 -22.416 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.311 1.499 -19.759 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.055 -0.192 -20.143 1.00 0.00 H new ATOM 0 HG LEU A 68 1.425 1.752 -22.058 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.548 0.724 -21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.721 1.549 -19.953 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.654 -0.225 -20.084 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.215 -0.349 -23.115 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.321 -1.296 -21.901 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.437 -0.287 -23.070 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.919 -0.881 -22.368 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.834 -2.055 -22.442 1.00 0.00 C ATOM 1081 C GLU A 69 -2.902 -2.742 -21.076 1.00 0.00 C ATOM 1082 O GLU A 69 -1.977 -2.680 -20.292 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.310 -3.041 -23.492 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.723 -4.467 -23.117 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.481 -5.398 -24.307 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.156 -4.896 -25.370 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -2.623 -6.598 -24.134 1.00 0.00 O ATOM 0 H GLU A 69 -1.221 -0.829 -23.110 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.833 -1.721 -22.724 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.706 -2.784 -24.475 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.224 -2.973 -23.558 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.152 -4.807 -22.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.775 -4.489 -22.832 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.992 -3.398 -20.792 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.125 -4.096 -19.483 1.00 0.00 C ATOM 1096 C ALA A 70 -3.871 -5.591 -19.682 1.00 0.00 C ATOM 1097 O ALA A 70 -3.827 -6.079 -20.794 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.539 -3.887 -18.936 1.00 0.00 C ATOM 0 H ALA A 70 -4.798 -3.481 -21.411 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.400 -3.692 -18.776 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.638 -4.397 -17.978 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.723 -2.821 -18.800 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.265 -4.293 -19.640 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.703 -6.323 -18.617 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.453 -7.785 -18.754 1.00 0.00 C ATOM 1106 C GLU A 71 -4.291 -8.546 -17.725 1.00 0.00 C ATOM 1107 O GLU A 71 -4.062 -8.456 -16.536 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.968 -8.074 -18.519 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.705 -9.568 -18.709 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.304 -9.910 -18.196 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.373 -9.007 -17.733 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.068 -11.069 -18.275 1.00 0.00 O ATOM 0 H GLU A 71 -3.728 -5.973 -17.659 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.731 -8.108 -19.757 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.359 -7.495 -19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.681 -7.768 -17.513 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.453 -10.151 -18.171 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.792 -9.832 -19.763 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.260 -9.295 -18.175 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.114 -10.059 -17.223 1.00 0.00 C ATOM 1121 C GLU A 72 -5.250 -10.586 -16.077 1.00 0.00 C ATOM 1122 O GLU A 72 -4.558 -11.576 -16.211 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.767 -11.236 -17.951 1.00 0.00 C ATOM 1124 CG GLU A 72 -5.767 -11.852 -18.932 1.00 0.00 C ATOM 1125 CD GLU A 72 -5.748 -11.033 -20.225 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -6.660 -10.245 -20.417 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -4.824 -11.207 -21.000 1.00 0.00 O ATOM 0 H GLU A 72 -5.497 -9.411 -19.160 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.889 -9.404 -16.825 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.094 -11.986 -17.231 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.655 -10.899 -18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.772 -11.873 -18.488 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.042 -12.885 -19.147 1.00 0.00 H new ATOM 1134 N THR A 73 -5.286 -9.932 -14.949 1.00 0.00 N ATOM 1135 CA THR A 73 -4.468 -10.394 -13.794 1.00 0.00 C ATOM 1136 C THR A 73 -5.367 -11.136 -12.802 1.00 0.00 C ATOM 1137 O THR A 73 -6.411 -11.646 -13.158 1.00 0.00 O ATOM 1138 CB THR A 73 -3.832 -9.186 -13.104 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.856 -9.632 -12.174 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.912 -8.388 -12.371 1.00 0.00 C ATOM 0 H THR A 73 -5.847 -9.097 -14.778 1.00 0.00 H new ATOM 0 HA THR A 73 -3.683 -11.064 -14.146 1.00 0.00 H new ATOM 0 HB THR A 73 -3.357 -8.550 -13.851 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.447 -8.858 -11.733 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.458 -7.527 -11.880 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.659 -8.045 -13.086 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.389 -9.022 -11.624 1.00 0.00 H new ATOM 1148 N GLU A 74 -4.972 -11.199 -11.561 1.00 0.00 N ATOM 1149 CA GLU A 74 -5.805 -11.907 -10.550 1.00 0.00 C ATOM 1150 C GLU A 74 -5.589 -11.273 -9.175 1.00 0.00 C ATOM 1151 O GLU A 74 -4.478 -10.971 -8.789 1.00 0.00 O ATOM 1152 CB GLU A 74 -5.406 -13.383 -10.501 1.00 0.00 C ATOM 1153 CG GLU A 74 -3.949 -13.534 -10.940 1.00 0.00 C ATOM 1154 CD GLU A 74 -3.388 -14.852 -10.401 1.00 0.00 C ATOM 1155 OE1 GLU A 74 -3.740 -15.213 -9.290 1.00 0.00 O ATOM 1156 OE2 GLU A 74 -2.617 -15.479 -11.109 1.00 0.00 O ATOM 0 H GLU A 74 -4.108 -10.791 -11.203 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.856 -11.825 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.534 -13.772 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.055 -13.968 -11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.882 -13.516 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.358 -12.696 -10.570 1.00 0.00 H new ATOM 1163 N ASP A 75 -6.643 -11.071 -8.433 1.00 0.00 N ATOM 1164 CA ASP A 75 -6.496 -10.458 -7.082 1.00 0.00 C ATOM 1165 C ASP A 75 -5.792 -11.446 -6.149 1.00 0.00 C ATOM 1166 O ASP A 75 -6.232 -11.692 -5.043 1.00 0.00 O ATOM 1167 CB ASP A 75 -7.879 -10.124 -6.521 1.00 0.00 C ATOM 1168 CG ASP A 75 -7.732 -9.557 -5.107 1.00 0.00 C ATOM 1169 OD1 ASP A 75 -6.615 -9.513 -4.621 1.00 0.00 O ATOM 1170 OD2 ASP A 75 -8.741 -9.176 -4.536 1.00 0.00 O ATOM 0 H ASP A 75 -7.599 -11.303 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.905 -9.545 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.379 -9.400 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.502 -11.018 -6.503 1.00 0.00 H new ATOM 1175 N GLU A 76 -4.702 -12.014 -6.586 1.00 0.00 N ATOM 1176 CA GLU A 76 -3.971 -12.985 -5.725 1.00 0.00 C ATOM 1177 C GLU A 76 -4.978 -13.850 -4.963 1.00 0.00 C ATOM 1178 O GLU A 76 -4.665 -14.428 -3.942 1.00 0.00 O ATOM 1179 CB GLU A 76 -3.094 -12.225 -4.728 1.00 0.00 C ATOM 1180 CG GLU A 76 -1.632 -12.296 -5.174 1.00 0.00 C ATOM 1181 CD GLU A 76 -0.821 -11.220 -4.449 1.00 0.00 C ATOM 1182 OE1 GLU A 76 -1.155 -10.920 -3.315 1.00 0.00 O ATOM 1183 OE2 GLU A 76 0.118 -10.714 -5.040 1.00 0.00 O ATOM 0 H GLU A 76 -4.286 -11.847 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.343 -13.622 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.415 -11.185 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.202 -12.654 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.223 -13.282 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.563 -12.153 -6.252 1.00 0.00 H new ATOM 1190 N ASP A 77 -6.185 -13.944 -5.451 1.00 0.00 N ATOM 1191 CA ASP A 77 -7.209 -14.772 -4.753 1.00 0.00 C ATOM 1192 C ASP A 77 -7.877 -15.716 -5.756 1.00 0.00 C ATOM 1193 O ASP A 77 -8.280 -16.811 -5.417 1.00 0.00 O ATOM 1194 CB ASP A 77 -8.267 -13.859 -4.131 1.00 0.00 C ATOM 1195 CG ASP A 77 -9.404 -14.708 -3.557 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -9.272 -15.154 -2.429 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -10.386 -14.898 -4.255 1.00 0.00 O ATOM 0 H ASP A 77 -6.506 -13.483 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.727 -15.357 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.820 -13.251 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.656 -13.172 -4.882 1.00 0.00 H new ATOM 1202 N GLY A 78 -7.998 -15.303 -6.988 1.00 0.00 N ATOM 1203 CA GLY A 78 -8.639 -16.181 -8.009 1.00 0.00 C ATOM 1204 C GLY A 78 -9.769 -15.419 -8.705 1.00 0.00 C ATOM 1205 O GLY A 78 -10.786 -15.983 -9.059 1.00 0.00 O ATOM 0 H GLY A 78 -7.681 -14.397 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.899 -16.504 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.032 -17.081 -7.535 1.00 0.00 H new ATOM 1209 N ASN A 79 -9.599 -14.141 -8.909 1.00 0.00 N ATOM 1210 CA ASN A 79 -10.661 -13.344 -9.584 1.00 0.00 C ATOM 1211 C ASN A 79 -10.219 -13.017 -11.013 1.00 0.00 C ATOM 1212 O ASN A 79 -9.371 -13.679 -11.575 1.00 0.00 O ATOM 1213 CB ASN A 79 -10.895 -12.045 -8.809 1.00 0.00 C ATOM 1214 CG ASN A 79 -12.088 -12.219 -7.868 1.00 0.00 C ATOM 1215 OD1 ASN A 79 -13.120 -12.724 -8.263 1.00 0.00 O ATOM 1216 ND2 ASN A 79 -11.991 -11.819 -6.630 1.00 0.00 N ATOM 0 H ASN A 79 -8.769 -13.614 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.587 -13.919 -9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.004 -11.784 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.082 -11.224 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.781 -11.930 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.125 -11.395 -6.297 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.788 -12.001 -11.605 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.396 -11.639 -12.995 1.00 0.00 C ATOM 1225 C LYS A 80 -10.794 -10.188 -13.281 1.00 0.00 C ATOM 1226 O LYS A 80 -11.915 -9.904 -13.652 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.109 -12.567 -13.981 1.00 0.00 C ATOM 1228 CG LYS A 80 -12.414 -13.066 -13.360 1.00 0.00 C ATOM 1229 CD LYS A 80 -13.335 -13.594 -14.462 1.00 0.00 C ATOM 1230 CE LYS A 80 -13.992 -12.417 -15.184 1.00 0.00 C ATOM 1231 NZ LYS A 80 -15.206 -12.892 -15.906 1.00 0.00 N ATOM 0 H LYS A 80 -11.505 -11.409 -11.186 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.317 -11.746 -13.107 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.316 -12.037 -14.911 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.467 -13.411 -14.231 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.207 -13.854 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.904 -12.257 -12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.765 -14.196 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.098 -14.243 -14.033 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.262 -11.642 -14.467 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.289 -11.970 -15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.653 -12.092 -16.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.935 -13.617 -16.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.878 -13.299 -15.225 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.882 -9.269 -13.115 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.207 -7.839 -13.383 1.00 0.00 C ATOM 1247 C LEU A 81 -9.171 -7.257 -14.348 1.00 0.00 C ATOM 1248 O LEU A 81 -8.007 -7.603 -14.304 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.180 -7.048 -12.071 1.00 0.00 C ATOM 1250 CG LEU A 81 -10.162 -8.017 -10.888 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.734 -8.514 -10.657 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -10.659 -7.295 -9.632 1.00 0.00 C ATOM 0 H LEU A 81 -8.926 -9.446 -12.806 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.201 -7.771 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.301 -6.405 -12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.053 -6.398 -12.008 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.812 -8.865 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.721 -9.205 -9.814 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.378 -9.026 -11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.084 -7.666 -10.441 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.647 -7.984 -8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.008 -6.447 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.676 -6.939 -9.795 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.582 -6.380 -15.220 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.617 -5.783 -16.186 1.00 0.00 C ATOM 1266 C LEU A 82 -7.782 -4.714 -15.477 1.00 0.00 C ATOM 1267 O LEU A 82 -8.304 -3.872 -14.774 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.382 -5.141 -17.347 1.00 0.00 C ATOM 1269 CG LEU A 82 -10.420 -6.126 -17.890 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.744 -5.395 -18.120 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.923 -6.710 -19.215 1.00 0.00 C ATOM 0 H LEU A 82 -10.543 -6.050 -15.306 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.962 -6.564 -16.571 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.874 -4.229 -17.010 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.689 -4.856 -18.138 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.569 -6.931 -17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.484 -6.096 -18.507 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.098 -4.977 -17.177 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.595 -4.590 -18.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.661 -7.412 -19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.774 -5.905 -19.935 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.979 -7.230 -19.052 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.490 -4.738 -15.657 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.627 -3.720 -14.996 1.00 0.00 C ATOM 1285 C CYS A 83 -4.804 -2.985 -16.054 1.00 0.00 C ATOM 1286 O CYS A 83 -3.868 -3.525 -16.611 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.686 -4.409 -14.006 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.890 -5.820 -14.811 1.00 0.00 S ATOM 0 H CYS A 83 -5.995 -5.419 -16.233 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.254 -3.006 -14.462 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.932 -3.705 -13.654 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.243 -4.743 -13.131 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.332 -5.430 -15.918 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.141 -1.756 -16.339 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.372 -0.994 -17.362 1.00 0.00 C ATOM 1296 C PHE A 84 -3.368 -0.077 -16.663 1.00 0.00 C ATOM 1297 O PHE A 84 -3.489 0.211 -15.489 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.334 -0.155 -18.209 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.278 0.605 -17.308 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.365 -0.052 -16.716 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.068 1.968 -17.067 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.241 0.656 -15.885 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -6.944 2.674 -16.235 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.030 2.020 -15.644 1.00 0.00 C ATOM 0 H PHE A 84 -5.914 -1.248 -15.908 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.838 -1.690 -18.009 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.772 0.541 -18.832 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.899 -0.801 -18.881 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.527 -1.104 -16.901 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.230 2.474 -17.523 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.080 0.151 -15.429 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.781 3.725 -16.049 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.706 2.566 -15.002 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.372 0.379 -17.373 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.359 1.271 -16.741 1.00 0.00 C ATOM 1316 C ASP A 85 -1.518 2.694 -17.278 1.00 0.00 C ATOM 1317 O ASP A 85 -2.265 2.938 -18.204 1.00 0.00 O ATOM 1318 CB ASP A 85 0.046 0.760 -17.067 1.00 0.00 C ATOM 1319 CG ASP A 85 0.670 0.147 -15.811 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.058 -0.474 -15.053 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.865 0.310 -15.627 1.00 0.00 O ATOM 0 H ASP A 85 -2.216 0.173 -18.360 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.506 1.273 -15.661 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.001 0.016 -17.863 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.667 1.578 -17.432 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.820 3.634 -16.701 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.925 5.044 -17.173 1.00 0.00 C ATOM 1328 C ALA A 86 0.355 5.796 -16.806 1.00 0.00 C ATOM 1329 O ALA A 86 0.765 5.817 -15.663 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.124 5.717 -16.503 1.00 0.00 C ATOM 0 H ALA A 86 -0.180 3.486 -15.921 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.059 5.059 -18.255 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.202 6.748 -16.847 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.035 5.178 -16.762 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.990 5.705 -15.421 1.00 0.00 H new ATOM 1336 N THR A 87 0.996 6.409 -17.763 1.00 0.00 N ATOM 1337 CA THR A 87 2.252 7.151 -17.460 1.00 0.00 C ATOM 1338 C THR A 87 2.041 8.649 -17.700 1.00 0.00 C ATOM 1339 O THR A 87 1.261 9.049 -18.541 1.00 0.00 O ATOM 1340 CB THR A 87 3.373 6.644 -18.370 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.935 5.479 -19.055 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.606 6.310 -17.529 1.00 0.00 C ATOM 0 H THR A 87 0.705 6.428 -18.740 1.00 0.00 H new ATOM 0 HA THR A 87 2.523 6.989 -16.417 1.00 0.00 H new ATOM 0 HB THR A 87 3.630 7.417 -19.094 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.652 5.154 -19.639 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.403 5.949 -18.179 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.942 7.205 -17.005 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.353 5.538 -16.803 1.00 0.00 H new ATOM 1350 N MET A 88 2.734 9.477 -16.968 1.00 0.00 N ATOM 1351 CA MET A 88 2.583 10.949 -17.151 1.00 0.00 C ATOM 1352 C MET A 88 3.882 11.647 -16.743 1.00 0.00 C ATOM 1353 O MET A 88 4.241 11.681 -15.583 1.00 0.00 O ATOM 1354 CB MET A 88 1.435 11.463 -16.278 1.00 0.00 C ATOM 1355 CG MET A 88 1.170 12.934 -16.601 1.00 0.00 C ATOM 1356 SD MET A 88 -0.566 13.324 -16.267 1.00 0.00 S ATOM 1357 CE MET A 88 -0.557 14.999 -16.953 1.00 0.00 C ATOM 0 H MET A 88 3.401 9.197 -16.249 1.00 0.00 H new ATOM 0 HA MET A 88 2.364 11.162 -18.197 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.536 10.873 -16.456 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.687 11.351 -15.224 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.819 13.572 -16.000 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.404 13.135 -17.646 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.549 15.439 -16.851 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.168 15.609 -16.414 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.285 14.959 -18.008 1.00 0.00 H new ATOM 1367 N GLN A 89 4.590 12.202 -17.688 1.00 0.00 N ATOM 1368 CA GLN A 89 5.867 12.894 -17.355 1.00 0.00 C ATOM 1369 C GLN A 89 5.597 14.018 -16.351 1.00 0.00 C ATOM 1370 O GLN A 89 4.574 14.672 -16.396 1.00 0.00 O ATOM 1371 CB GLN A 89 6.471 13.485 -18.630 1.00 0.00 C ATOM 1372 CG GLN A 89 6.654 12.375 -19.669 1.00 0.00 C ATOM 1373 CD GLN A 89 8.092 11.852 -19.616 1.00 0.00 C ATOM 1374 OE1 GLN A 89 8.912 12.365 -18.881 1.00 0.00 O ATOM 1375 NE2 GLN A 89 8.435 10.845 -20.372 1.00 0.00 N ATOM 0 H GLN A 89 4.339 12.206 -18.677 1.00 0.00 H new ATOM 0 HA GLN A 89 6.563 12.179 -16.917 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.821 14.265 -19.026 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.430 13.952 -18.408 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.954 11.563 -19.475 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.432 12.756 -20.666 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.747 10.413 -20.990 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.391 10.490 -20.345 1.00 0.00 H new ATOM 1384 N SER A 90 6.508 14.246 -15.444 1.00 0.00 N ATOM 1385 CA SER A 90 6.307 15.327 -14.438 1.00 0.00 C ATOM 1386 C SER A 90 7.636 15.627 -13.741 1.00 0.00 C ATOM 1387 O SER A 90 8.608 14.918 -13.905 1.00 0.00 O ATOM 1388 CB SER A 90 5.278 14.876 -13.400 1.00 0.00 C ATOM 1389 OG SER A 90 5.945 14.544 -12.189 1.00 0.00 O ATOM 0 H SER A 90 7.383 13.730 -15.357 1.00 0.00 H new ATOM 0 HA SER A 90 5.947 16.226 -14.939 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.552 15.669 -13.223 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.724 14.014 -13.771 1.00 0.00 H new ATOM 0 HG SER A 90 5.288 14.256 -11.522 1.00 0.00 H new ATOM 1395 N ALA A 91 7.686 16.675 -12.963 1.00 0.00 N ATOM 1396 CA ALA A 91 8.954 17.018 -12.260 1.00 0.00 C ATOM 1397 C ALA A 91 8.861 16.585 -10.795 1.00 0.00 C ATOM 1398 O ALA A 91 7.981 17.004 -10.069 1.00 0.00 O ATOM 1399 CB ALA A 91 9.183 18.530 -12.332 1.00 0.00 C ATOM 0 H ALA A 91 6.905 17.307 -12.785 1.00 0.00 H new ATOM 0 HA ALA A 91 9.786 16.500 -12.738 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.110 18.782 -11.818 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.251 18.838 -13.375 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.351 19.047 -11.854 1.00 0.00 H new ATOM 1405 N LEU A 92 9.761 15.750 -10.355 1.00 0.00 N ATOM 1406 CA LEU A 92 9.723 15.294 -8.937 1.00 0.00 C ATOM 1407 C LEU A 92 9.263 16.447 -8.043 1.00 0.00 C ATOM 1408 O LEU A 92 10.020 17.346 -7.736 1.00 0.00 O ATOM 1409 CB LEU A 92 11.121 14.843 -8.507 1.00 0.00 C ATOM 1410 CG LEU A 92 11.015 13.952 -7.267 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.818 12.498 -7.699 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.303 14.068 -6.446 1.00 0.00 C ATOM 0 H LEU A 92 10.521 15.364 -10.915 1.00 0.00 H new ATOM 0 HA LEU A 92 9.027 14.460 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.604 14.298 -9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.744 15.711 -8.291 1.00 0.00 H new ATOM 0 HG LEU A 92 10.166 14.270 -6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.742 11.863 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.903 12.414 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.668 12.180 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.230 13.434 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.151 13.749 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.446 15.104 -6.139 1.00 0.00 H new ATOM 1424 N ASP A 93 8.028 16.431 -7.624 1.00 0.00 N ATOM 1425 CA ASP A 93 7.525 17.529 -6.752 1.00 0.00 C ATOM 1426 C ASP A 93 6.278 17.057 -6.002 1.00 0.00 C ATOM 1427 O ASP A 93 5.180 17.087 -6.522 1.00 0.00 O ATOM 1428 CB ASP A 93 7.176 18.744 -7.614 1.00 0.00 C ATOM 1429 CG ASP A 93 8.418 19.618 -7.793 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.660 20.452 -6.937 1.00 0.00 O ATOM 1431 OD2 ASP A 93 9.108 19.437 -8.784 1.00 0.00 O ATOM 0 H ASP A 93 7.346 15.706 -7.847 1.00 0.00 H new ATOM 0 HA ASP A 93 8.296 17.804 -6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.804 18.419 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.378 19.319 -7.144 1.00 0.00 H new ATOM 1436 N ALA A 94 6.438 16.621 -4.782 1.00 0.00 N ATOM 1437 CA ALA A 94 5.262 16.148 -4.000 1.00 0.00 C ATOM 1438 C ALA A 94 4.052 17.029 -4.318 1.00 0.00 C ATOM 1439 O ALA A 94 2.967 16.544 -4.570 1.00 0.00 O ATOM 1440 CB ALA A 94 5.575 16.231 -2.504 1.00 0.00 C ATOM 0 H ALA A 94 7.332 16.572 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 94 5.040 15.115 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.714 15.885 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.437 15.604 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.797 17.264 -2.236 1.00 0.00 H new ATOM 1446 N LYS A 95 4.229 18.322 -4.307 1.00 0.00 N ATOM 1447 CA LYS A 95 3.090 19.232 -4.609 1.00 0.00 C ATOM 1448 C LYS A 95 2.447 18.819 -5.935 1.00 0.00 C ATOM 1449 O LYS A 95 1.260 18.569 -6.010 1.00 0.00 O ATOM 1450 CB LYS A 95 3.600 20.671 -4.719 1.00 0.00 C ATOM 1451 CG LYS A 95 3.942 21.200 -3.326 1.00 0.00 C ATOM 1452 CD LYS A 95 3.720 22.714 -3.285 1.00 0.00 C ATOM 1453 CE LYS A 95 2.275 23.007 -2.877 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.348 22.199 -3.720 1.00 0.00 N ATOM 0 H LYS A 95 5.113 18.787 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 95 2.352 19.168 -3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.481 20.708 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.842 21.302 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.320 20.710 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.978 20.967 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.409 23.174 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.929 23.149 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.128 22.768 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.060 24.069 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.367 22.495 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.575 22.346 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.454 21.191 -3.485 1.00 0.00 H new ATOM 1468 N LEU A 96 3.222 18.744 -6.982 1.00 0.00 N ATOM 1469 CA LEU A 96 2.655 18.345 -8.300 1.00 0.00 C ATOM 1470 C LEU A 96 2.153 16.903 -8.213 1.00 0.00 C ATOM 1471 O LEU A 96 0.982 16.631 -8.382 1.00 0.00 O ATOM 1472 CB LEU A 96 3.744 18.443 -9.375 1.00 0.00 C ATOM 1473 CG LEU A 96 3.162 19.021 -10.669 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.507 20.509 -10.762 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.766 18.286 -11.868 1.00 0.00 C ATOM 0 H LEU A 96 4.223 18.942 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 96 1.829 19.007 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.559 19.074 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.166 17.456 -9.567 1.00 0.00 H new ATOM 0 HG LEU A 96 2.079 18.897 -10.670 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.094 20.922 -11.682 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.084 21.035 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.590 20.632 -10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.354 18.695 -12.791 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.848 18.414 -11.866 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.526 17.225 -11.803 1.00 0.00 H new ATOM 1487 N ILE A 97 3.033 15.979 -7.945 1.00 0.00 N ATOM 1488 CA ILE A 97 2.610 14.554 -7.842 1.00 0.00 C ATOM 1489 C ILE A 97 1.250 14.477 -7.148 1.00 0.00 C ATOM 1490 O ILE A 97 0.405 13.680 -7.502 1.00 0.00 O ATOM 1491 CB ILE A 97 3.645 13.775 -7.029 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.992 13.809 -7.756 1.00 0.00 C ATOM 1493 CG2 ILE A 97 3.188 12.324 -6.875 1.00 0.00 C ATOM 1494 CD1 ILE A 97 6.123 13.636 -6.741 1.00 0.00 C ATOM 0 H ILE A 97 4.027 16.149 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 97 2.533 14.122 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 97 3.749 14.229 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.035 13.016 -8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.107 14.754 -8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.926 11.770 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.228 12.298 -6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.084 11.869 -7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.082 13.660 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.084 14.445 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.010 12.680 -6.230 1.00 0.00 H new ATOM 1506 N ASP A 98 1.029 15.304 -6.160 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.279 15.279 -5.448 1.00 0.00 C ATOM 1508 C ASP A 98 -1.380 15.754 -6.396 1.00 0.00 C ATOM 1509 O ASP A 98 -2.462 15.203 -6.433 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.222 16.207 -4.231 1.00 0.00 C ATOM 1511 CG ASP A 98 0.735 15.626 -3.189 1.00 0.00 C ATOM 1512 OD1 ASP A 98 1.141 14.488 -3.355 1.00 0.00 O ATOM 1513 OD2 ASP A 98 1.046 16.330 -2.242 1.00 0.00 O ATOM 0 H ASP A 98 1.697 15.994 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.492 14.262 -5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.112 17.200 -4.533 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.217 16.322 -3.802 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.111 16.773 -7.166 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.142 17.284 -8.114 1.00 0.00 C ATOM 1520 C GLU A 99 -2.503 16.183 -9.113 1.00 0.00 C ATOM 1521 O GLU A 99 -3.658 15.970 -9.426 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.589 18.496 -8.867 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.248 19.605 -7.870 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.262 20.742 -8.004 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -3.366 20.476 -8.452 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -1.919 21.860 -7.657 1.00 0.00 O ATOM 0 H GLU A 99 -0.222 17.274 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.033 17.579 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.700 18.213 -9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.323 18.855 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.260 19.211 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.241 19.978 -8.056 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.525 15.481 -9.615 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.813 14.392 -10.592 1.00 0.00 C ATOM 1535 C GLN A 100 -2.652 13.310 -9.910 1.00 0.00 C ATOM 1536 O GLN A 100 -3.613 12.814 -10.463 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.497 13.784 -11.081 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.076 14.458 -12.389 1.00 0.00 C ATOM 1539 CD GLN A 100 1.194 13.793 -12.922 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.518 12.602 -12.500 1.00 0.00 O flip ATOM 1541 NE2 GLN A 100 1.900 14.363 -13.730 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.539 15.614 -9.391 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.362 14.799 -11.441 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.279 13.915 -10.326 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.615 12.711 -11.234 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.876 14.379 -13.125 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.100 15.521 -12.222 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.647 15.294 -14.061 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.745 13.910 -14.078 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.296 12.942 -8.709 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.070 11.893 -7.988 1.00 0.00 C ATOM 1552 C VAL A 101 -4.486 12.404 -7.709 1.00 0.00 C ATOM 1553 O VAL A 101 -5.459 11.860 -8.193 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.375 11.570 -6.666 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.247 10.617 -5.847 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.024 10.910 -6.949 1.00 0.00 C ATOM 0 H VAL A 101 -1.501 13.324 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.124 10.993 -8.601 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.220 12.491 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.750 10.388 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.209 11.087 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.405 9.696 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.527 10.679 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.179 9.990 -7.512 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.401 11.590 -7.530 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.608 13.444 -6.931 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.960 13.988 -6.620 1.00 0.00 C ATOM 1568 C GLU A 102 -6.862 13.852 -7.849 1.00 0.00 C ATOM 1569 O GLU A 102 -7.985 13.397 -7.758 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.842 15.465 -6.236 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.175 15.952 -5.666 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.915 16.864 -4.466 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -5.972 16.599 -3.740 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.664 17.813 -4.295 1.00 0.00 O ATOM 0 H GLU A 102 -3.830 13.941 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.391 13.430 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.049 15.598 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.569 16.058 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.734 16.491 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.786 15.101 -5.364 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.381 14.243 -8.998 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.215 14.134 -10.228 1.00 0.00 C ATOM 1583 C LYS A 103 -7.584 12.668 -10.466 1.00 0.00 C ATOM 1584 O LYS A 103 -8.707 12.348 -10.804 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.426 14.660 -11.428 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.407 16.190 -11.400 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.745 16.712 -12.676 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.893 18.232 -12.745 1.00 0.00 C ATOM 1589 NZ LYS A 103 -5.587 18.823 -11.412 1.00 0.00 N ATOM 0 H LYS A 103 -5.449 14.632 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.124 14.723 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.407 14.273 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.878 14.309 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.423 16.576 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.862 16.542 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.690 16.438 -12.689 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.204 16.252 -13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.219 18.640 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.906 18.496 -13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.322 19.822 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.426 18.756 -10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.799 18.304 -10.975 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.648 11.776 -10.294 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.943 10.331 -10.512 1.00 0.00 C ATOM 1605 C LEU A 104 -7.841 9.813 -9.388 1.00 0.00 C ATOM 1606 O LEU A 104 -8.464 8.776 -9.506 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.634 9.539 -10.517 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.825 9.892 -11.766 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.408 9.330 -11.630 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.496 9.284 -12.999 1.00 0.00 C ATOM 0 H LEU A 104 -5.690 11.985 -10.012 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.451 10.208 -11.469 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.056 9.766 -9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.844 8.470 -10.498 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.780 10.976 -11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.830 9.581 -12.520 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.928 9.762 -10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.455 8.246 -11.522 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.919 9.536 -13.889 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.542 8.200 -12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.506 9.682 -13.097 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.909 10.522 -8.295 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.762 10.064 -7.161 1.00 0.00 C ATOM 1624 C VAL A 105 -10.214 10.479 -7.406 1.00 0.00 C ATOM 1625 O VAL A 105 -11.122 9.676 -7.316 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.263 10.701 -5.864 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.376 10.665 -4.815 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.050 9.922 -5.348 1.00 0.00 C ATOM 0 H VAL A 105 -7.411 11.398 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.707 8.978 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.978 11.736 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.020 11.119 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.240 11.219 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.663 9.631 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.693 10.375 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.336 8.887 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.256 9.948 -6.095 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.443 11.727 -7.707 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.839 12.192 -7.950 1.00 0.00 C ATOM 1640 C ASN A 106 -12.397 11.529 -9.212 1.00 0.00 C ATOM 1641 O ASN A 106 -13.529 11.090 -9.244 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.842 13.712 -8.131 1.00 0.00 C ATOM 1643 CG ASN A 106 -10.603 14.309 -7.461 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -10.111 13.780 -6.484 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.073 15.397 -7.950 1.00 0.00 N ATOM 0 H ASN A 106 -9.725 12.446 -7.795 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.462 11.921 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.851 13.962 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.745 14.139 -7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.246 15.803 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.486 15.841 -8.770 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.613 11.457 -10.252 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.101 10.827 -11.512 1.00 0.00 C ATOM 1654 C LEU A 107 -12.319 9.327 -11.288 1.00 0.00 C ATOM 1655 O LEU A 107 -13.361 8.788 -11.604 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.061 11.033 -12.617 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.434 10.191 -13.838 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.445 11.075 -15.086 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.405 9.070 -14.018 1.00 0.00 C ATOM 0 H LEU A 107 -10.655 11.807 -10.284 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.044 11.287 -11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.011 12.087 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.072 10.750 -12.256 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.424 9.758 -13.691 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.711 10.474 -15.955 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.176 11.874 -14.960 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.456 11.509 -15.234 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.670 8.469 -14.888 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.416 9.504 -14.164 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.396 8.438 -13.130 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.344 8.651 -10.748 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.493 7.189 -10.507 1.00 0.00 C ATOM 1673 C ALA A 108 -12.813 6.917 -9.780 1.00 0.00 C ATOM 1674 O ALA A 108 -13.615 6.112 -10.210 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.329 6.689 -9.648 1.00 0.00 C ATOM 0 H ALA A 108 -10.449 9.048 -10.463 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.491 6.667 -11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.440 5.619 -9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.388 6.877 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.329 7.215 -8.693 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.042 7.578 -8.680 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.306 7.352 -7.926 1.00 0.00 C ATOM 1683 C GLU A 109 -15.487 7.907 -8.724 1.00 0.00 C ATOM 1684 O GLU A 109 -16.624 7.544 -8.500 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.226 8.061 -6.573 1.00 0.00 C ATOM 1686 CG GLU A 109 -12.941 7.647 -5.854 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.012 6.163 -5.494 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -14.106 5.691 -5.228 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -11.974 5.522 -5.489 1.00 0.00 O ATOM 0 H GLU A 109 -12.409 8.265 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.447 6.283 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.243 9.142 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.094 7.806 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.078 7.836 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.808 8.245 -4.952 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.229 8.784 -9.655 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.343 9.357 -10.460 1.00 0.00 C ATOM 1698 C LYS A 110 -16.944 8.269 -11.352 1.00 0.00 C ATOM 1699 O LYS A 110 -18.125 8.271 -11.637 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.811 10.493 -11.335 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.987 11.246 -11.961 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.519 11.960 -13.231 1.00 0.00 C ATOM 1703 CE LYS A 110 -16.267 10.930 -14.333 1.00 0.00 C ATOM 1704 NZ LYS A 110 -14.831 10.533 -14.323 1.00 0.00 N ATOM 0 H LYS A 110 -14.298 9.127 -9.892 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.111 9.743 -9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.206 11.174 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.164 10.093 -12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.793 10.551 -12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.388 11.969 -11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.272 12.678 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.608 12.523 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.898 10.055 -14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.533 11.348 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -14.749 9.520 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.313 11.084 -15.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -14.426 10.717 -13.383 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.143 7.341 -11.798 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.677 6.259 -12.674 1.00 0.00 C ATOM 1720 C PHE A 111 -16.965 5.011 -11.835 1.00 0.00 C ATOM 1721 O PHE A 111 -18.099 4.720 -11.512 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.648 5.925 -13.757 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.851 6.844 -14.939 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -17.078 6.854 -15.613 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.814 7.686 -15.358 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.267 7.706 -16.708 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.004 8.538 -16.452 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.230 8.549 -17.127 1.00 0.00 C ATOM 0 H PHE A 111 -15.145 7.285 -11.595 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.601 6.596 -13.144 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.638 6.038 -13.363 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.754 4.886 -14.067 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.878 6.205 -15.289 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.868 7.678 -14.837 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -18.213 7.713 -17.230 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.204 9.187 -16.776 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.376 9.207 -17.971 1.00 0.00 H new ATOM 1738 N ASP A 112 -15.950 4.272 -11.479 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.176 3.047 -10.660 1.00 0.00 C ATOM 1740 C ASP A 112 -14.880 2.235 -10.578 1.00 0.00 C ATOM 1741 O ASP A 112 -14.901 1.025 -10.473 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.272 2.196 -11.307 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.522 2.215 -10.425 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -19.345 3.094 -10.616 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -18.636 1.347 -9.573 1.00 0.00 O ATOM 0 H ASP A 112 -14.977 4.462 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.484 3.336 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.508 2.581 -12.299 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.922 1.172 -11.438 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.752 2.891 -10.622 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.457 2.156 -10.542 1.00 0.00 C ATOM 1752 C ILE A 113 -11.742 2.537 -9.245 1.00 0.00 C ATOM 1753 O ILE A 113 -12.177 3.408 -8.519 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.582 2.534 -11.738 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.258 4.028 -11.677 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.329 2.229 -13.037 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.437 4.426 -12.907 1.00 0.00 C ATOM 0 H ILE A 113 -13.671 3.904 -10.710 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.643 1.082 -10.556 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.658 1.957 -11.708 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.179 4.609 -11.639 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.701 4.253 -10.767 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.704 2.499 -13.888 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.563 1.165 -13.081 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.254 2.805 -13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.207 5.491 -12.862 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.509 3.855 -12.925 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.010 4.216 -13.810 1.00 0.00 H new ATOM 1769 N ILE A 114 -10.646 1.893 -8.943 1.00 0.00 N ATOM 1770 CA ILE A 114 -9.914 2.228 -7.689 1.00 0.00 C ATOM 1771 C ILE A 114 -8.467 2.602 -8.017 1.00 0.00 C ATOM 1772 O ILE A 114 -7.782 1.902 -8.735 1.00 0.00 O ATOM 1773 CB ILE A 114 -9.920 1.021 -6.751 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -8.804 1.185 -5.714 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -9.683 -0.257 -7.557 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.004 0.181 -4.578 1.00 0.00 C ATOM 0 H ILE A 114 -10.228 1.153 -9.508 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.407 3.071 -7.205 1.00 0.00 H new ATOM 0 HB ILE A 114 -10.884 0.955 -6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.833 1.029 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.808 2.201 -5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.688 -1.116 -6.886 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.474 -0.371 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.719 -0.196 -8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.208 0.301 -3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.968 0.358 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -8.978 -0.832 -4.979 1.00 0.00 H new ATOM 1788 N TYR A 115 -7.998 3.698 -7.489 1.00 0.00 N ATOM 1789 CA TYR A 115 -6.594 4.117 -7.759 1.00 0.00 C ATOM 1790 C TYR A 115 -5.729 3.766 -6.546 1.00 0.00 C ATOM 1791 O TYR A 115 -5.658 4.509 -5.587 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.553 5.629 -8.010 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.231 6.195 -7.543 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.101 6.108 -8.365 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.137 6.807 -6.288 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -2.877 6.632 -7.932 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.913 7.332 -5.854 1.00 0.00 C ATOM 1798 CZ TYR A 115 -2.783 7.244 -6.676 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.577 7.761 -6.249 1.00 0.00 O ATOM 0 H TYR A 115 -8.527 4.323 -6.881 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.213 3.600 -8.640 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.691 5.834 -9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.373 6.116 -7.482 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.174 5.636 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.009 6.875 -5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.006 6.564 -8.566 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.841 7.805 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 115 -0.999 7.926 -7.023 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.078 2.637 -6.576 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.225 2.239 -5.421 1.00 0.00 C ATOM 1811 C ASP A 116 -2.957 1.550 -5.930 1.00 0.00 C ATOM 1812 O ASP A 116 -2.858 0.340 -5.936 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.004 1.276 -4.523 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.271 1.114 -3.190 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.052 1.163 -3.196 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.941 0.945 -2.185 1.00 0.00 O ATOM 0 H ASP A 116 -5.099 1.973 -7.350 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.949 3.127 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.011 1.656 -4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.107 0.308 -5.013 1.00 0.00 H new ATOM 1821 N GLY A 117 -1.984 2.310 -6.356 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.725 1.690 -6.857 1.00 0.00 C ATOM 1823 C GLY A 117 0.026 2.681 -7.749 1.00 0.00 C ATOM 1824 O GLY A 117 0.012 2.578 -8.960 1.00 0.00 O ATOM 0 H GLY A 117 -2.007 3.329 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.096 1.395 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -0.954 0.784 -7.418 1.00 0.00 H new ATOM 1828 N TRP A 118 0.692 3.639 -7.162 1.00 0.00 N ATOM 1829 CA TRP A 118 1.450 4.629 -7.977 1.00 0.00 C ATOM 1830 C TRP A 118 2.943 4.502 -7.661 1.00 0.00 C ATOM 1831 O TRP A 118 3.324 4.129 -6.569 1.00 0.00 O ATOM 1832 CB TRP A 118 0.964 6.046 -7.648 1.00 0.00 C ATOM 1833 CG TRP A 118 1.775 6.617 -6.527 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.567 6.372 -5.213 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.914 7.523 -6.600 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.507 7.069 -4.474 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.359 7.794 -5.284 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.598 8.131 -7.669 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.444 8.638 -5.038 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.690 8.980 -7.425 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.111 9.233 -6.112 1.00 0.00 C ATOM 0 H TRP A 118 0.743 3.778 -6.153 1.00 0.00 H new ATOM 0 HA TRP A 118 1.287 4.436 -9.037 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.048 6.682 -8.529 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.090 6.023 -7.371 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.794 5.736 -4.807 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.564 7.050 -3.456 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.281 7.943 -8.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.765 8.829 -4.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.208 9.440 -8.253 1.00 0.00 H new ATOM 0 HH2 TRP A 118 5.951 9.888 -5.931 1.00 0.00 H new ATOM 1852 N GLY A 119 3.793 4.805 -8.604 1.00 0.00 N ATOM 1853 CA GLY A 119 5.257 4.695 -8.344 1.00 0.00 C ATOM 1854 C GLY A 119 6.029 5.520 -9.375 1.00 0.00 C ATOM 1855 O GLY A 119 5.484 5.959 -10.369 1.00 0.00 O ATOM 0 H GLY A 119 3.539 5.123 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.485 5.048 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.567 3.651 -8.394 1.00 0.00 H new ATOM 1859 N THR A 120 7.295 5.731 -9.145 1.00 0.00 N ATOM 1860 CA THR A 120 8.108 6.525 -10.110 1.00 0.00 C ATOM 1861 C THR A 120 9.355 5.729 -10.499 1.00 0.00 C ATOM 1862 O THR A 120 9.682 4.733 -9.885 1.00 0.00 O ATOM 1863 CB THR A 120 8.527 7.846 -9.459 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.402 8.546 -10.330 1.00 0.00 O ATOM 1865 CG2 THR A 120 9.240 7.559 -8.137 1.00 0.00 C ATOM 0 H THR A 120 7.803 5.388 -8.330 1.00 0.00 H new ATOM 0 HA THR A 120 7.516 6.732 -11.001 1.00 0.00 H new ATOM 0 HB THR A 120 7.643 8.455 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.669 9.392 -9.914 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.539 8.499 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.566 7.023 -7.469 1.00 0.00 H new ATOM 0 HG23 THR A 120 10.124 6.950 -8.325 1.00 0.00 H new ATOM 1873 N TYR A 121 10.054 6.158 -11.515 1.00 0.00 N ATOM 1874 CA TYR A 121 11.278 5.420 -11.939 1.00 0.00 C ATOM 1875 C TYR A 121 12.483 5.924 -11.141 1.00 0.00 C ATOM 1876 O TYR A 121 13.011 6.988 -11.400 1.00 0.00 O ATOM 1877 CB TYR A 121 11.522 5.653 -13.432 1.00 0.00 C ATOM 1878 CG TYR A 121 11.672 4.324 -14.135 1.00 0.00 C ATOM 1879 CD1 TYR A 121 12.872 3.611 -14.034 1.00 0.00 C ATOM 1880 CD2 TYR A 121 10.610 3.806 -14.884 1.00 0.00 C ATOM 1881 CE1 TYR A 121 13.011 2.379 -14.684 1.00 0.00 C ATOM 1882 CE2 TYR A 121 10.748 2.573 -15.534 1.00 0.00 C ATOM 1883 CZ TYR A 121 11.948 1.859 -15.434 1.00 0.00 C ATOM 1884 OH TYR A 121 12.085 0.644 -16.075 1.00 0.00 O ATOM 0 H TYR A 121 9.831 6.985 -12.068 1.00 0.00 H new ATOM 0 HA TYR A 121 11.141 4.355 -11.754 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.692 6.212 -13.863 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.420 6.254 -13.574 1.00 0.00 H new ATOM 0 HD1 TYR A 121 13.691 4.011 -13.455 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.684 4.357 -14.961 1.00 0.00 H new ATOM 0 HE1 TYR A 121 13.938 1.829 -14.607 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.928 2.173 -16.113 1.00 0.00 H new ATOM 0 HH TYR A 121 11.255 0.429 -16.549 1.00 0.00 H new ATOM 1894 N TYR A 122 12.926 5.167 -10.174 1.00 0.00 N ATOM 1895 CA TYR A 122 14.099 5.602 -9.365 1.00 0.00 C ATOM 1896 C TYR A 122 15.327 5.700 -10.271 1.00 0.00 C ATOM 1897 O TYR A 122 15.466 4.962 -11.225 1.00 0.00 O ATOM 1898 CB TYR A 122 14.361 4.580 -8.258 1.00 0.00 C ATOM 1899 CG TYR A 122 15.126 5.236 -7.134 1.00 0.00 C ATOM 1900 CD1 TYR A 122 16.481 5.549 -7.299 1.00 0.00 C ATOM 1901 CD2 TYR A 122 14.481 5.532 -5.927 1.00 0.00 C ATOM 1902 CE1 TYR A 122 17.191 6.158 -6.257 1.00 0.00 C ATOM 1903 CE2 TYR A 122 15.191 6.140 -4.884 1.00 0.00 C ATOM 1904 CZ TYR A 122 16.546 6.453 -5.049 1.00 0.00 C ATOM 1905 OH TYR A 122 17.245 7.053 -4.022 1.00 0.00 O ATOM 0 H TYR A 122 12.526 4.267 -9.910 1.00 0.00 H new ATOM 0 HA TYR A 122 13.896 6.575 -8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 122 13.417 4.182 -7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 122 14.928 3.737 -8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 122 16.978 5.321 -8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 122 13.436 5.291 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 122 18.236 6.400 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 122 14.694 6.367 -3.953 1.00 0.00 H new ATOM 0 HH TYR A 122 18.171 7.206 -4.303 1.00 0.00 H new ATOM 1915 N GLU A 123 16.220 6.607 -9.982 1.00 0.00 N ATOM 1916 CA GLU A 123 17.437 6.749 -10.830 1.00 0.00 C ATOM 1917 C GLU A 123 18.611 6.028 -10.162 1.00 0.00 C ATOM 1918 O GLU A 123 19.420 6.633 -9.485 1.00 0.00 O ATOM 1919 CB GLU A 123 17.773 8.235 -10.996 1.00 0.00 C ATOM 1920 CG GLU A 123 18.642 8.435 -12.243 1.00 0.00 C ATOM 1921 CD GLU A 123 19.959 9.106 -11.848 1.00 0.00 C ATOM 1922 OE1 GLU A 123 19.909 10.072 -11.104 1.00 0.00 O ATOM 1923 OE2 GLU A 123 20.995 8.643 -12.296 1.00 0.00 O ATOM 0 H GLU A 123 16.159 7.255 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 123 17.252 6.308 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.856 8.817 -11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 123 18.298 8.599 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.840 7.474 -12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.114 9.049 -12.972 1.00 0.00 H new ATOM 1930 N GLY A 124 18.709 4.740 -10.346 1.00 0.00 N ATOM 1931 CA GLY A 124 19.828 3.979 -9.722 1.00 0.00 C ATOM 1932 C GLY A 124 19.849 2.554 -10.278 1.00 0.00 C ATOM 1933 O GLY A 124 19.932 2.345 -11.472 1.00 0.00 O ATOM 0 H GLY A 124 18.062 4.181 -10.902 1.00 0.00 H new ATOM 0 HA2 GLY A 124 20.777 4.474 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 124 19.707 3.956 -8.639 1.00 0.00 H new ATOM 1937 N LEU A 125 19.772 1.570 -9.423 1.00 0.00 N ATOM 1938 CA LEU A 125 19.787 0.160 -9.905 1.00 0.00 C ATOM 1939 C LEU A 125 21.035 -0.071 -10.760 1.00 0.00 C ATOM 1940 O LEU A 125 21.017 0.106 -11.962 1.00 0.00 O ATOM 1941 CB LEU A 125 18.535 -0.102 -10.747 1.00 0.00 C ATOM 1942 CG LEU A 125 17.863 -1.395 -10.277 1.00 0.00 C ATOM 1943 CD1 LEU A 125 17.116 -1.139 -8.967 1.00 0.00 C ATOM 1944 CD2 LEU A 125 16.872 -1.870 -11.342 1.00 0.00 C ATOM 0 H LEU A 125 19.699 1.682 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 125 19.800 -0.518 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 125 17.842 0.734 -10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 125 18.803 -0.181 -11.801 1.00 0.00 H new ATOM 0 HG LEU A 125 18.623 -2.160 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 125 16.638 -2.061 -8.634 1.00 0.00 H new ATOM 0 HD12 LEU A 125 17.820 -0.800 -8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 125 16.356 -0.373 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 125 16.393 -2.791 -11.008 1.00 0.00 H new ATOM 0 HD22 LEU A 125 16.114 -1.103 -11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 125 17.403 -2.055 -12.276 1.00 0.00 H new ATOM 1956 N GLU A 126 22.119 -0.463 -10.149 1.00 0.00 N ATOM 1957 CA GLU A 126 23.368 -0.703 -10.927 1.00 0.00 C ATOM 1958 C GLU A 126 23.572 -2.206 -11.123 1.00 0.00 C ATOM 1959 O GLU A 126 23.266 -3.002 -10.257 1.00 0.00 O ATOM 1960 CB GLU A 126 24.564 -0.126 -10.165 1.00 0.00 C ATOM 1961 CG GLU A 126 24.218 1.276 -9.657 1.00 0.00 C ATOM 1962 CD GLU A 126 25.504 2.083 -9.474 1.00 0.00 C ATOM 1963 OE1 GLU A 126 26.473 1.517 -8.994 1.00 0.00 O ATOM 1964 OE2 GLU A 126 25.499 3.254 -9.818 1.00 0.00 O ATOM 0 H GLU A 126 22.194 -0.628 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 126 23.284 -0.218 -11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 126 24.822 -0.774 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 126 25.437 -0.083 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 126 23.558 1.778 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 126 23.680 1.209 -8.711 1.00 0.00 H new ATOM 1971 N HIS A 127 24.089 -2.601 -12.254 1.00 0.00 N ATOM 1972 CA HIS A 127 24.315 -4.052 -12.504 1.00 0.00 C ATOM 1973 C HIS A 127 22.988 -4.804 -12.390 1.00 0.00 C ATOM 1974 O HIS A 127 22.637 -5.306 -11.341 1.00 0.00 O ATOM 1975 CB HIS A 127 25.298 -4.599 -11.467 1.00 0.00 C ATOM 1976 CG HIS A 127 26.696 -4.541 -12.019 1.00 0.00 C ATOM 1977 ND1 HIS A 127 27.228 -3.383 -12.567 1.00 0.00 N ATOM 1978 CD2 HIS A 127 27.685 -5.489 -12.113 1.00 0.00 C ATOM 1979 CE1 HIS A 127 28.485 -3.661 -12.962 1.00 0.00 C ATOM 1980 NE2 HIS A 127 28.810 -4.929 -12.708 1.00 0.00 N ATOM 0 H HIS A 127 24.365 -1.981 -13.016 1.00 0.00 H new ATOM 0 HA HIS A 127 24.725 -4.188 -13.505 1.00 0.00 H new ATOM 0 HB2 HIS A 127 25.234 -4.017 -10.548 1.00 0.00 H new ATOM 0 HB3 HIS A 127 25.039 -5.627 -11.212 1.00 0.00 H new ATOM 0 HD2 HIS A 127 27.602 -6.512 -11.777 1.00 0.00 H new ATOM 0 HE1 HIS A 127 29.148 -2.946 -13.427 1.00 0.00 H new ATOM 0 HE2 HIS A 127 29.697 -5.391 -12.908 1.00 0.00 H new ATOM 1988 N HIS A 128 22.248 -4.892 -13.461 1.00 0.00 N ATOM 1989 CA HIS A 128 20.948 -5.618 -13.407 1.00 0.00 C ATOM 1990 C HIS A 128 21.143 -6.938 -12.657 1.00 0.00 C ATOM 1991 O HIS A 128 22.001 -7.729 -12.991 1.00 0.00 O ATOM 1992 CB HIS A 128 20.463 -5.908 -14.829 1.00 0.00 C ATOM 1993 CG HIS A 128 19.916 -4.648 -15.440 1.00 0.00 C ATOM 1994 ND1 HIS A 128 20.586 -3.960 -16.442 1.00 0.00 N ATOM 1995 CD2 HIS A 128 18.763 -3.939 -15.204 1.00 0.00 C ATOM 1996 CE1 HIS A 128 19.838 -2.890 -16.771 1.00 0.00 C ATOM 1997 NE2 HIS A 128 18.720 -2.833 -16.045 1.00 0.00 N ATOM 0 H HIS A 128 22.487 -4.494 -14.369 1.00 0.00 H new ATOM 0 HA HIS A 128 20.208 -5.006 -12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 128 21.285 -6.291 -15.434 1.00 0.00 H new ATOM 0 HB3 HIS A 128 19.694 -6.680 -14.812 1.00 0.00 H new ATOM 0 HD2 HIS A 128 18.007 -4.200 -14.478 1.00 0.00 H new ATOM 0 HE1 HIS A 128 20.109 -2.168 -17.528 1.00 0.00 H new ATOM 0 HE2 HIS A 128 17.987 -2.126 -16.096 1.00 0.00 H new ATOM 2005 N HIS A 129 20.358 -7.183 -11.643 1.00 0.00 N ATOM 2006 CA HIS A 129 20.515 -8.453 -10.881 1.00 0.00 C ATOM 2007 C HIS A 129 19.430 -8.554 -9.805 1.00 0.00 C ATOM 2008 O HIS A 129 18.754 -7.593 -9.496 1.00 0.00 O ATOM 2009 CB HIS A 129 21.891 -8.478 -10.216 1.00 0.00 C ATOM 2010 CG HIS A 129 22.441 -9.877 -10.252 1.00 0.00 C ATOM 2011 ND1 HIS A 129 23.057 -10.401 -11.380 1.00 0.00 N ATOM 2012 CD2 HIS A 129 22.475 -10.872 -9.308 1.00 0.00 C ATOM 2013 CE1 HIS A 129 23.434 -11.659 -11.087 1.00 0.00 C ATOM 2014 NE2 HIS A 129 23.102 -11.993 -9.839 1.00 0.00 N ATOM 0 H HIS A 129 19.619 -6.563 -11.311 1.00 0.00 H new ATOM 0 HA HIS A 129 20.421 -9.296 -11.566 1.00 0.00 H new ATOM 0 HB2 HIS A 129 22.568 -7.797 -10.731 1.00 0.00 H new ATOM 0 HB3 HIS A 129 21.815 -8.132 -9.185 1.00 0.00 H new ATOM 0 HD2 HIS A 129 22.076 -10.796 -8.307 1.00 0.00 H new ATOM 0 HE1 HIS A 129 23.942 -12.317 -11.777 1.00 0.00 H new ATOM 0 HE2 HIS A 129 23.272 -12.884 -9.372 1.00 0.00 H new ATOM 2022 N HIS A 130 19.265 -9.715 -9.231 1.00 0.00 N ATOM 2023 CA HIS A 130 18.231 -9.889 -8.173 1.00 0.00 C ATOM 2024 C HIS A 130 18.848 -10.626 -6.982 1.00 0.00 C ATOM 2025 O HIS A 130 19.940 -10.318 -6.549 1.00 0.00 O ATOM 2026 CB HIS A 130 17.063 -10.704 -8.733 1.00 0.00 C ATOM 2027 CG HIS A 130 16.927 -10.437 -10.206 1.00 0.00 C ATOM 2028 ND1 HIS A 130 17.993 -10.575 -11.085 1.00 0.00 N ATOM 2029 CD2 HIS A 130 15.859 -10.038 -10.972 1.00 0.00 C ATOM 2030 CE1 HIS A 130 17.547 -10.264 -12.317 1.00 0.00 C ATOM 2031 NE2 HIS A 130 16.255 -9.930 -12.301 1.00 0.00 N ATOM 0 H HIS A 130 19.804 -10.553 -9.451 1.00 0.00 H new ATOM 0 HA HIS A 130 17.868 -8.914 -7.849 1.00 0.00 H new ATOM 0 HB2 HIS A 130 17.231 -11.767 -8.559 1.00 0.00 H new ATOM 0 HB3 HIS A 130 16.140 -10.438 -8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 130 14.865 -9.839 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 130 18.159 -10.283 -13.207 1.00 0.00 H new ATOM 0 HE2 HIS A 130 15.679 -9.654 -13.096 1.00 0.00 H new ATOM 2039 N HIS A 131 18.160 -11.601 -6.451 1.00 0.00 N ATOM 2040 CA HIS A 131 18.714 -12.356 -5.290 1.00 0.00 C ATOM 2041 C HIS A 131 18.456 -13.853 -5.483 1.00 0.00 C ATOM 2042 O HIS A 131 18.272 -14.324 -6.588 1.00 0.00 O ATOM 2043 CB HIS A 131 18.040 -11.883 -4.001 1.00 0.00 C ATOM 2044 CG HIS A 131 19.010 -11.995 -2.857 1.00 0.00 C ATOM 2045 ND1 HIS A 131 20.370 -11.759 -3.013 1.00 0.00 N ATOM 2046 CD2 HIS A 131 18.835 -12.316 -1.532 1.00 0.00 C ATOM 2047 CE1 HIS A 131 20.954 -11.940 -1.813 1.00 0.00 C ATOM 2048 NE2 HIS A 131 20.063 -12.280 -0.881 1.00 0.00 N ATOM 0 H HIS A 131 17.241 -11.907 -6.770 1.00 0.00 H new ATOM 0 HA HIS A 131 19.787 -12.178 -5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 131 17.707 -10.851 -4.110 1.00 0.00 H new ATOM 0 HB3 HIS A 131 17.153 -12.484 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 131 17.890 -12.559 -1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 131 22.012 -11.824 -1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 131 20.244 -12.473 0.104 1.00 0.00 H new ATOM 2056 N HIS A 132 18.441 -14.605 -4.415 1.00 0.00 N ATOM 2057 CA HIS A 132 18.196 -16.070 -4.537 1.00 0.00 C ATOM 2058 C HIS A 132 19.248 -16.689 -5.460 1.00 0.00 C ATOM 2059 O HIS A 132 19.541 -17.861 -5.289 1.00 0.00 O ATOM 2060 CB HIS A 132 16.802 -16.309 -5.123 1.00 0.00 C ATOM 2061 CG HIS A 132 16.536 -17.788 -5.203 1.00 0.00 C ATOM 2062 ND1 HIS A 132 17.095 -18.860 -4.551 1.00 0.00 N flip ATOM 2063 CD2 HIS A 132 15.574 -18.320 -6.049 1.00 0.00 C flip ATOM 2064 CE1 HIS A 132 16.490 -20.034 -4.985 1.00 0.00 C flip ATOM 2065 NE2 HIS A 132 15.582 -19.656 -5.886 1.00 0.00 N flip ATOM 2066 OXT HIS A 132 19.741 -15.981 -6.322 1.00 0.00 O ATOM 0 H HIS A 132 18.588 -14.267 -3.464 1.00 0.00 H new ATOM 0 HA HIS A 132 18.260 -16.531 -3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 132 16.047 -15.826 -4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 132 16.732 -15.862 -6.115 1.00 0.00 H new ATOM 0 HD2 HIS A 132 14.934 -17.763 -6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 132 16.709 -21.041 -4.661 1.00 0.00 H new ATOM 0 HE2 HIS A 132 14.970 -20.299 -6.389 1.00 0.00 H new TER 2074 HIS A 132