USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 790 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 66 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 SER OG : rot -91:sc= -0.958! USER MOD Set 2.2: A 41 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 25:sc= 0.763 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.06 F(o=-1.9!,f=-1.1) USER MOD Single : A 7 GLN :FLIP amide:sc= -2.86! C(o=-5.9!,f=-2.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 160:sc= -0.493 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 23:sc= 0.16 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -108:sc= -0.242! USER MOD Single : A 25 HIS :FLIP no HD1:sc= -8.76! C(o=-9.3!,f=-8.8!) USER MOD Single : A 33 MET CE :methyl -148:sc= -10.2! (180deg=-14.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.3 F(o=-2.9!,f=-1.3) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= -0.0517 (180deg=-0.372) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.08! C(o=-3.1!,f=-2.8!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.23) USER MOD Single : A 55 THR OG1 : rot 28:sc= -1.9! USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0225) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc=-0.000679 F(o=-2!,f=-0.00068) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -6.43! C(o=-11!,f=-6.4!) USER MOD Single : A 92 ASN : amide:sc= -5.66 X(o=-5.7,f=-5.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.881 20.704 20.069 1.00 0.00 N ATOM 2 CA MET A 1 -13.294 19.494 20.758 1.00 0.00 C ATOM 3 C MET A 1 -13.836 18.458 19.769 1.00 0.00 C ATOM 4 O MET A 1 -14.831 18.705 19.091 1.00 0.00 O ATOM 5 CB MET A 1 -14.375 19.832 21.786 1.00 0.00 C ATOM 6 CG MET A 1 -13.777 19.949 23.190 1.00 0.00 C ATOM 7 SD MET A 1 -14.538 21.306 24.066 1.00 0.00 S ATOM 8 CE MET A 1 -14.843 20.525 25.642 1.00 0.00 C ATOM 0 H1 MET A 1 -12.518 21.390 20.761 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.134 20.475 19.383 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.696 21.114 19.569 1.00 0.00 H new ATOM 0 HA MET A 1 -12.424 19.071 21.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.861 20.769 21.514 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.145 19.060 21.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.931 19.020 23.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.700 20.106 23.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.319 21.238 26.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.498 19.665 25.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.898 20.194 26.073 1.00 0.00 H new ATOM 18 N SER A 2 -13.157 17.321 19.720 1.00 0.00 N ATOM 19 CA SER A 2 -13.558 16.249 18.825 1.00 0.00 C ATOM 20 C SER A 2 -12.940 14.927 19.285 1.00 0.00 C ATOM 21 O SER A 2 -11.935 14.919 19.994 1.00 0.00 O ATOM 22 CB SER A 2 -13.149 16.553 17.382 1.00 0.00 C ATOM 23 OG SER A 2 -14.279 16.770 16.542 1.00 0.00 O ATOM 0 H SER A 2 -12.332 17.119 20.285 1.00 0.00 H new ATOM 0 HA SER A 2 -14.644 16.166 18.855 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.509 17.435 17.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.559 15.724 16.990 1.00 0.00 H new ATOM 0 HG SER A 2 -13.976 16.963 15.630 1.00 0.00 H new ATOM 29 N ARG A 3 -13.568 13.839 18.862 1.00 0.00 N ATOM 30 CA ARG A 3 -13.092 12.514 19.221 1.00 0.00 C ATOM 31 C ARG A 3 -11.564 12.470 19.187 1.00 0.00 C ATOM 32 O ARG A 3 -10.932 13.271 18.501 1.00 0.00 O ATOM 33 CB ARG A 3 -13.648 11.453 18.268 1.00 0.00 C ATOM 34 CG ARG A 3 -13.128 11.669 16.845 1.00 0.00 C ATOM 35 CD ARG A 3 -14.070 12.573 16.048 1.00 0.00 C ATOM 36 NE ARG A 3 -14.376 11.956 14.739 1.00 0.00 N ATOM 37 CZ ARG A 3 -15.034 12.577 13.750 1.00 0.00 C ATOM 38 NH1 ARG A 3 -15.461 13.836 13.919 1.00 0.00 N ATOM 39 NH2 ARG A 3 -15.266 11.940 12.596 1.00 0.00 N ATOM 0 H ARG A 3 -14.402 13.848 18.274 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.441 12.299 20.231 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.363 10.460 18.617 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.737 11.491 18.271 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.134 12.115 16.881 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.028 10.708 16.341 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.991 12.735 16.607 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.611 13.550 15.900 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.067 10.997 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.285 14.320 14.799 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.962 14.310 13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -14.942 10.981 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.767 12.413 11.844 1.00 0.00 H new ATOM 53 N SER A 4 -11.013 11.527 19.938 1.00 0.00 N ATOM 54 CA SER A 4 -9.570 11.369 20.002 1.00 0.00 C ATOM 55 C SER A 4 -9.123 10.254 19.055 1.00 0.00 C ATOM 56 O SER A 4 -9.452 9.087 19.265 1.00 0.00 O ATOM 57 CB SER A 4 -9.113 11.067 21.431 1.00 0.00 C ATOM 58 OG SER A 4 -9.589 9.805 21.889 1.00 0.00 O ATOM 0 H SER A 4 -11.540 10.865 20.507 1.00 0.00 H new ATOM 0 HA SER A 4 -9.109 12.307 19.692 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.024 11.081 21.474 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.468 11.852 22.099 1.00 0.00 H new ATOM 0 HG SER A 4 -9.758 9.221 21.121 1.00 0.00 H new ATOM 64 N ASN A 5 -8.381 10.652 18.032 1.00 0.00 N ATOM 65 CA ASN A 5 -7.885 9.701 17.053 1.00 0.00 C ATOM 66 C ASN A 5 -6.356 9.679 17.096 1.00 0.00 C ATOM 67 O ASN A 5 -5.717 10.731 17.098 1.00 0.00 O ATOM 68 CB ASN A 5 -8.311 10.094 15.637 1.00 0.00 C ATOM 69 CG ASN A 5 -7.797 11.489 15.277 1.00 0.00 C ATOM 70 OD1 ASN A 5 -6.534 11.508 14.859 1.00 0.00 O flip ATOM 71 ND2 ASN A 5 -8.498 12.482 15.374 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.111 11.621 17.860 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.299 8.722 17.296 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.927 9.366 14.923 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.398 10.072 15.561 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.460 12.397 15.702 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.122 13.398 15.127 1.00 0.00 H new ATOM 78 N ARG A 6 -5.812 8.471 17.129 1.00 0.00 N ATOM 79 CA ARG A 6 -4.370 8.299 17.174 1.00 0.00 C ATOM 80 C ARG A 6 -3.718 8.981 15.969 1.00 0.00 C ATOM 81 O ARG A 6 -4.396 9.643 15.183 1.00 0.00 O ATOM 82 CB ARG A 6 -3.992 6.818 17.178 1.00 0.00 C ATOM 83 CG ARG A 6 -4.924 6.011 16.272 1.00 0.00 C ATOM 84 CD ARG A 6 -6.026 5.330 17.086 1.00 0.00 C ATOM 85 NE ARG A 6 -7.279 5.285 16.301 1.00 0.00 N ATOM 86 CZ ARG A 6 -7.469 4.501 15.231 1.00 0.00 C ATOM 87 NH1 ARG A 6 -6.486 3.692 14.812 1.00 0.00 N ATOM 88 NH2 ARG A 6 -8.640 4.526 14.581 1.00 0.00 N ATOM 0 H ARG A 6 -6.345 7.601 17.125 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.009 8.756 18.095 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.962 6.701 16.842 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.042 6.429 18.195 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.371 6.668 15.526 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.350 5.259 15.731 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.719 4.319 17.355 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.190 5.872 18.017 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.047 5.889 16.593 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.595 3.674 15.307 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.629 3.095 13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.388 5.142 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.784 3.929 13.767 1.00 0.00 H new ATOM 102 N GLN A 7 -2.411 8.798 15.861 1.00 0.00 N ATOM 103 CA GLN A 7 -1.659 9.387 14.766 1.00 0.00 C ATOM 104 C GLN A 7 -1.057 8.290 13.885 1.00 0.00 C ATOM 105 O GLN A 7 -1.092 8.383 12.660 1.00 0.00 O ATOM 106 CB GLN A 7 -0.574 10.328 15.289 1.00 0.00 C ATOM 107 CG GLN A 7 0.128 9.731 16.510 1.00 0.00 C ATOM 108 CD GLN A 7 -0.813 9.683 17.715 1.00 0.00 C ATOM 109 OE1 GLN A 7 -1.079 8.452 18.144 1.00 0.00 O flip ATOM 110 NE2 GLN A 7 -1.265 10.696 18.222 1.00 0.00 N flip ATOM 0 H GLN A 7 -1.852 8.249 16.515 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.343 9.979 14.158 1.00 0.00 H new ATOM 0 HB2 GLN A 7 0.156 10.519 14.503 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -1.017 11.288 15.553 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.478 8.725 16.277 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.008 10.326 16.755 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.019 11.610 17.842 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -1.889 10.629 19.026 1.00 0.00 H new ATOM 119 N LYS A 8 -0.517 7.276 14.546 1.00 0.00 N ATOM 120 CA LYS A 8 0.093 6.161 13.838 1.00 0.00 C ATOM 121 C LYS A 8 -0.968 5.460 12.988 1.00 0.00 C ATOM 122 O LYS A 8 -0.642 4.614 12.157 1.00 0.00 O ATOM 123 CB LYS A 8 0.809 5.231 14.821 1.00 0.00 C ATOM 124 CG LYS A 8 -0.089 4.058 15.217 1.00 0.00 C ATOM 125 CD LYS A 8 -1.436 4.552 15.747 1.00 0.00 C ATOM 126 CE LYS A 8 -1.599 4.214 17.231 1.00 0.00 C ATOM 127 NZ LYS A 8 -1.940 2.783 17.400 1.00 0.00 N ATOM 0 H LYS A 8 -0.489 7.203 15.563 1.00 0.00 H new ATOM 0 HA LYS A 8 0.863 6.518 13.154 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.727 4.855 14.369 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.098 5.790 15.711 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.249 3.411 14.355 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.407 3.457 15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.513 5.630 15.605 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.245 4.097 15.176 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.676 4.440 17.765 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.381 4.835 17.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.047 2.569 18.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.832 2.578 16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.180 2.196 17.001 1.00 0.00 H new ATOM 141 N GLU A 9 -2.215 5.838 13.226 1.00 0.00 N ATOM 142 CA GLU A 9 -3.327 5.256 12.492 1.00 0.00 C ATOM 143 C GLU A 9 -3.093 5.387 10.986 1.00 0.00 C ATOM 144 O GLU A 9 -2.016 5.793 10.554 1.00 0.00 O ATOM 145 CB GLU A 9 -4.651 5.901 12.900 1.00 0.00 C ATOM 146 CG GLU A 9 -4.575 7.425 12.795 1.00 0.00 C ATOM 147 CD GLU A 9 -4.429 7.867 11.337 1.00 0.00 C ATOM 148 OE1 GLU A 9 -5.480 7.989 10.672 1.00 0.00 O ATOM 149 OE2 GLU A 9 -3.268 8.073 10.921 1.00 0.00 O ATOM 0 H GLU A 9 -2.481 6.540 13.917 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.387 4.196 12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.453 5.529 12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.899 5.615 13.922 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.473 7.868 13.225 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.729 7.792 13.376 1.00 0.00 H new ATOM 156 N TYR A 10 -4.122 5.036 10.227 1.00 0.00 N ATOM 157 CA TYR A 10 -4.043 5.109 8.780 1.00 0.00 C ATOM 158 C TYR A 10 -5.406 5.448 8.172 1.00 0.00 C ATOM 159 O TYR A 10 -6.437 4.979 8.652 1.00 0.00 O ATOM 160 CB TYR A 10 -3.621 3.716 8.308 1.00 0.00 C ATOM 161 CG TYR A 10 -4.609 2.607 8.682 1.00 0.00 C ATOM 162 CD1 TYR A 10 -4.762 2.235 10.001 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.346 1.980 7.697 1.00 0.00 C ATOM 164 CE1 TYR A 10 -5.691 1.192 10.351 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.274 0.938 8.048 1.00 0.00 C ATOM 166 CZ TYR A 10 -6.401 0.596 9.358 1.00 0.00 C ATOM 167 OH TYR A 10 -7.279 -0.390 9.689 1.00 0.00 O ATOM 0 H TYR A 10 -5.015 4.700 10.589 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.341 5.885 8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.501 3.731 7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.646 3.479 8.734 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.185 2.726 10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.226 2.271 6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.820 0.890 11.380 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.857 0.439 7.288 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.931 -0.504 8.966 1.00 0.00 H new ATOM 177 N LYS A 11 -5.367 6.260 7.126 1.00 0.00 N ATOM 178 CA LYS A 11 -6.586 6.669 6.449 1.00 0.00 C ATOM 179 C LYS A 11 -6.338 6.710 4.940 1.00 0.00 C ATOM 180 O LYS A 11 -5.234 6.418 4.481 1.00 0.00 O ATOM 181 CB LYS A 11 -7.102 7.989 7.023 1.00 0.00 C ATOM 182 CG LYS A 11 -8.118 7.743 8.140 1.00 0.00 C ATOM 183 CD LYS A 11 -9.294 8.715 8.036 1.00 0.00 C ATOM 184 CE LYS A 11 -10.240 8.312 6.904 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.192 7.277 7.366 1.00 0.00 N ATOM 0 H LYS A 11 -4.510 6.646 6.730 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.379 5.942 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.266 8.573 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.563 8.578 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.483 6.718 8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.633 7.856 9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.839 8.735 8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.922 9.724 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.787 9.186 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.665 7.934 6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.827 7.015 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.666 6.437 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.754 7.650 8.158 1.00 0.00 H new ATOM 199 N CYS A 12 -7.380 7.074 4.210 1.00 0.00 N ATOM 200 CA CYS A 12 -7.288 7.158 2.762 1.00 0.00 C ATOM 201 C CYS A 12 -6.031 7.953 2.406 1.00 0.00 C ATOM 202 O CYS A 12 -5.674 8.901 3.102 1.00 0.00 O ATOM 203 CB CYS A 12 -8.548 7.776 2.150 1.00 0.00 C ATOM 204 SG CYS A 12 -8.732 9.507 2.714 1.00 0.00 S ATOM 0 H CYS A 12 -8.294 7.315 4.594 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.213 6.155 2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.488 7.744 1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.425 7.196 2.438 1.00 0.00 H new ATOM 0 HG CYS A 12 -7.574 9.970 3.080 1.00 0.00 H new ATOM 210 N GLY A 13 -5.395 7.536 1.319 1.00 0.00 N ATOM 211 CA GLY A 13 -4.184 8.197 0.863 1.00 0.00 C ATOM 212 C GLY A 13 -2.966 7.725 1.659 1.00 0.00 C ATOM 213 O GLY A 13 -1.847 8.170 1.410 1.00 0.00 O ATOM 0 H GLY A 13 -5.696 6.750 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.031 7.992 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.294 9.276 0.967 1.00 0.00 H new ATOM 217 N ASP A 14 -3.226 6.830 2.601 1.00 0.00 N ATOM 218 CA ASP A 14 -2.165 6.293 3.436 1.00 0.00 C ATOM 219 C ASP A 14 -1.380 5.245 2.642 1.00 0.00 C ATOM 220 O ASP A 14 -1.923 4.606 1.743 1.00 0.00 O ATOM 221 CB ASP A 14 -2.736 5.611 4.682 1.00 0.00 C ATOM 222 CG ASP A 14 -1.717 4.838 5.519 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.008 5.502 6.307 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.668 3.600 5.354 1.00 0.00 O ATOM 0 H ASP A 14 -4.156 6.463 2.804 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.523 7.120 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.201 6.369 5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.525 4.925 4.373 1.00 0.00 H new ATOM 229 N LEU A 15 -0.114 5.103 3.006 1.00 0.00 N ATOM 230 CA LEU A 15 0.752 4.145 2.340 1.00 0.00 C ATOM 231 C LEU A 15 1.204 3.084 3.348 1.00 0.00 C ATOM 232 O LEU A 15 1.720 3.417 4.413 1.00 0.00 O ATOM 233 CB LEU A 15 1.909 4.862 1.643 1.00 0.00 C ATOM 234 CG LEU A 15 2.129 4.508 0.170 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.854 3.024 -0.084 1.00 0.00 C ATOM 236 CD2 LEU A 15 1.293 5.410 -0.740 1.00 0.00 C ATOM 0 H LEU A 15 0.333 5.635 3.753 1.00 0.00 H new ATOM 0 HA LEU A 15 0.208 3.625 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.741 5.937 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.827 4.644 2.189 1.00 0.00 H new ATOM 0 HG LEU A 15 3.176 4.687 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.018 2.799 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.527 2.420 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.822 2.795 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.467 5.138 -1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.236 5.285 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.579 6.450 -0.584 1.00 0.00 H new ATOM 248 N VAL A 16 0.990 1.831 2.974 1.00 0.00 N ATOM 249 CA VAL A 16 1.369 0.721 3.832 1.00 0.00 C ATOM 250 C VAL A 16 1.804 -0.463 2.965 1.00 0.00 C ATOM 251 O VAL A 16 1.739 -0.395 1.738 1.00 0.00 O ATOM 252 CB VAL A 16 0.218 0.376 4.780 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.288 1.218 6.056 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.133 0.545 4.084 1.00 0.00 C ATOM 0 H VAL A 16 0.560 1.560 2.090 1.00 0.00 H new ATOM 0 HA VAL A 16 2.218 0.995 4.458 1.00 0.00 H new ATOM 0 HB VAL A 16 0.319 -0.671 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.541 0.953 6.712 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.231 1.026 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.224 2.275 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.934 0.294 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.247 1.579 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.182 -0.117 3.219 1.00 0.00 H new ATOM 264 N PHE A 17 2.238 -1.519 3.637 1.00 0.00 N ATOM 265 CA PHE A 17 2.684 -2.715 2.943 1.00 0.00 C ATOM 266 C PHE A 17 1.541 -3.721 2.795 1.00 0.00 C ATOM 267 O PHE A 17 1.103 -4.318 3.778 1.00 0.00 O ATOM 268 CB PHE A 17 3.791 -3.341 3.796 1.00 0.00 C ATOM 269 CG PHE A 17 5.182 -3.261 3.165 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.394 -3.766 1.921 1.00 0.00 C ATOM 271 CD2 PHE A 17 6.207 -2.686 3.850 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.686 -3.692 1.336 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.498 -2.611 3.264 1.00 0.00 C ATOM 274 CZ PHE A 17 7.711 -3.117 2.019 1.00 0.00 C ATOM 0 H PHE A 17 2.290 -1.571 4.654 1.00 0.00 H new ATOM 0 HA PHE A 17 3.037 -2.456 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.814 -2.844 4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.546 -4.387 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.580 -4.223 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.039 -2.287 4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.854 -4.093 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.311 -2.152 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.693 -3.062 1.574 1.00 0.00 H new ATOM 284 N ALA A 18 1.089 -3.878 1.560 1.00 0.00 N ATOM 285 CA ALA A 18 0.006 -4.801 1.270 1.00 0.00 C ATOM 286 C ALA A 18 0.590 -6.156 0.869 1.00 0.00 C ATOM 287 O ALA A 18 1.472 -6.229 0.015 1.00 0.00 O ATOM 288 CB ALA A 18 -0.892 -4.208 0.183 1.00 0.00 C ATOM 0 H ALA A 18 1.454 -3.381 0.748 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.612 -4.958 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.705 -4.900 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.305 -3.261 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.307 -4.040 -0.721 1.00 0.00 H new ATOM 294 N LYS A 19 0.074 -7.199 1.505 1.00 0.00 N ATOM 295 CA LYS A 19 0.534 -8.548 1.225 1.00 0.00 C ATOM 296 C LYS A 19 -0.611 -9.356 0.613 1.00 0.00 C ATOM 297 O LYS A 19 -1.764 -9.218 1.024 1.00 0.00 O ATOM 298 CB LYS A 19 1.129 -9.183 2.483 1.00 0.00 C ATOM 299 CG LYS A 19 2.238 -10.176 2.125 1.00 0.00 C ATOM 300 CD LYS A 19 3.287 -10.250 3.236 1.00 0.00 C ATOM 301 CE LYS A 19 4.177 -11.484 3.068 1.00 0.00 C ATOM 302 NZ LYS A 19 4.016 -12.400 4.219 1.00 0.00 N ATOM 0 H LYS A 19 -0.658 -7.136 2.213 1.00 0.00 H new ATOM 0 HA LYS A 19 1.340 -8.530 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.529 -8.405 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.345 -9.694 3.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.807 -11.164 1.960 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.713 -9.875 1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.901 -9.350 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.792 -10.283 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.919 -12.002 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.220 -11.179 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.627 -13.232 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.284 -11.907 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.024 -12.706 4.283 1.00 0.00 H new ATOM 316 N MET A 20 -0.257 -10.182 -0.361 1.00 0.00 N ATOM 317 CA MET A 20 -1.242 -11.012 -1.034 1.00 0.00 C ATOM 318 C MET A 20 -0.782 -12.470 -1.092 1.00 0.00 C ATOM 319 O MET A 20 0.416 -12.749 -1.069 1.00 0.00 O ATOM 320 CB MET A 20 -1.463 -10.490 -2.455 1.00 0.00 C ATOM 321 CG MET A 20 -2.690 -11.144 -3.094 1.00 0.00 C ATOM 322 SD MET A 20 -3.675 -9.910 -3.927 1.00 0.00 S ATOM 323 CE MET A 20 -3.216 -10.240 -5.620 1.00 0.00 C ATOM 0 H MET A 20 0.698 -10.294 -0.700 1.00 0.00 H new ATOM 0 HA MET A 20 -2.174 -10.967 -0.471 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.593 -9.408 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.581 -10.693 -3.062 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.376 -11.910 -3.803 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.286 -11.642 -2.330 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.744 -9.553 -6.281 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.141 -10.103 -5.739 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.482 -11.266 -5.876 1.00 0.00 H new ATOM 333 N LYS A 21 -1.759 -13.363 -1.165 1.00 0.00 N ATOM 334 CA LYS A 21 -1.470 -14.785 -1.227 1.00 0.00 C ATOM 335 C LYS A 21 -0.545 -15.063 -2.414 1.00 0.00 C ATOM 336 O LYS A 21 -0.861 -14.706 -3.548 1.00 0.00 O ATOM 337 CB LYS A 21 -2.768 -15.595 -1.255 1.00 0.00 C ATOM 338 CG LYS A 21 -2.641 -16.864 -0.410 1.00 0.00 C ATOM 339 CD LYS A 21 -3.477 -16.758 0.867 1.00 0.00 C ATOM 340 CE LYS A 21 -4.972 -16.754 0.544 1.00 0.00 C ATOM 341 NZ LYS A 21 -5.771 -16.861 1.786 1.00 0.00 N ATOM 0 H LYS A 21 -2.752 -13.128 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.941 -15.105 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.590 -14.985 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.012 -15.862 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.967 -17.727 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.595 -17.030 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.246 -17.594 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.215 -15.846 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.233 -15.838 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.209 -17.585 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.784 -16.857 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.534 -17.747 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.558 -16.054 2.407 1.00 0.00 H new ATOM 355 N GLY A 22 0.579 -15.697 -2.112 1.00 0.00 N ATOM 356 CA GLY A 22 1.551 -16.027 -3.140 1.00 0.00 C ATOM 357 C GLY A 22 2.534 -14.874 -3.356 1.00 0.00 C ATOM 358 O GLY A 22 3.630 -15.076 -3.876 1.00 0.00 O ATOM 0 H GLY A 22 0.838 -15.991 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.097 -16.926 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.036 -16.250 -4.074 1.00 0.00 H new ATOM 362 N TYR A 23 2.105 -13.687 -2.944 1.00 0.00 N ATOM 363 CA TYR A 23 2.933 -12.503 -3.087 1.00 0.00 C ATOM 364 C TYR A 23 3.355 -11.962 -1.718 1.00 0.00 C ATOM 365 O TYR A 23 2.532 -11.844 -0.813 1.00 0.00 O ATOM 366 CB TYR A 23 2.061 -11.459 -3.787 1.00 0.00 C ATOM 367 CG TYR A 23 2.842 -10.493 -4.678 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.638 -10.979 -5.694 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.748 -9.132 -4.466 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.373 -10.069 -6.533 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.483 -8.221 -5.306 1.00 0.00 C ATOM 372 CZ TYR A 23 4.259 -8.734 -6.297 1.00 0.00 C ATOM 373 OH TYR A 23 4.953 -7.874 -7.090 1.00 0.00 O ATOM 0 H TYR A 23 1.196 -13.522 -2.512 1.00 0.00 H new ATOM 0 HA TYR A 23 3.839 -12.734 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.314 -11.972 -4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.522 -10.886 -3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.710 -12.044 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.124 -8.751 -3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.000 -10.437 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.419 -7.154 -5.152 1.00 0.00 H new ATOM 0 HH TYR A 23 5.692 -7.482 -6.580 1.00 0.00 H new ATOM 383 N PRO A 24 4.672 -11.640 -1.609 1.00 0.00 N ATOM 384 CA PRO A 24 5.213 -11.115 -0.367 1.00 0.00 C ATOM 385 C PRO A 24 4.803 -9.655 -0.164 1.00 0.00 C ATOM 386 O PRO A 24 4.259 -9.028 -1.072 1.00 0.00 O ATOM 387 CB PRO A 24 6.718 -11.299 -0.485 1.00 0.00 C ATOM 388 CG PRO A 24 7.000 -11.489 -1.966 1.00 0.00 C ATOM 389 CD PRO A 24 5.677 -11.766 -2.661 1.00 0.00 C ATOM 0 HA PRO A 24 4.829 -11.633 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.249 -10.431 -0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.052 -12.163 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.471 -10.598 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.692 -12.317 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.497 -11.055 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.663 -12.762 -3.104 1.00 0.00 H new ATOM 397 N HIS A 25 5.079 -9.156 1.032 1.00 0.00 N ATOM 398 CA HIS A 25 4.748 -7.782 1.365 1.00 0.00 C ATOM 399 C HIS A 25 5.159 -6.861 0.215 1.00 0.00 C ATOM 400 O HIS A 25 6.317 -6.857 -0.196 1.00 0.00 O ATOM 401 CB HIS A 25 5.374 -7.380 2.701 1.00 0.00 C ATOM 402 CG HIS A 25 4.368 -7.043 3.776 1.00 0.00 C ATOM 403 ND1 HIS A 25 3.072 -6.628 3.684 1.00 0.00 N flip ATOM 404 CD2 HIS A 25 4.661 -7.115 5.127 1.00 0.00 C flip ATOM 405 CE1 HIS A 25 2.597 -6.460 4.913 1.00 0.00 C flip ATOM 406 NE2 HIS A 25 3.582 -6.760 5.808 1.00 0.00 N flip ATOM 0 H HIS A 25 5.529 -9.680 1.783 1.00 0.00 H new ATOM 0 HA HIS A 25 3.670 -7.685 1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 25 6.007 -8.194 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.022 -6.518 2.542 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.608 -7.410 5.553 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.596 -6.139 5.163 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.502 -6.718 6.824 1.00 0.00 H new ATOM 414 N TRP A 26 4.186 -6.103 -0.270 1.00 0.00 N ATOM 415 CA TRP A 26 4.433 -5.179 -1.364 1.00 0.00 C ATOM 416 C TRP A 26 3.888 -3.808 -0.958 1.00 0.00 C ATOM 417 O TRP A 26 2.863 -3.718 -0.284 1.00 0.00 O ATOM 418 CB TRP A 26 3.826 -5.701 -2.668 1.00 0.00 C ATOM 419 CG TRP A 26 4.792 -5.682 -3.854 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.025 -4.680 -4.713 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.650 -6.762 -4.282 1.00 0.00 C ATOM 422 NE1 TRP A 26 5.968 -5.034 -5.658 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.359 -6.339 -5.387 1.00 0.00 C ATOM 424 CE3 TRP A 26 5.820 -8.053 -3.750 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.287 -7.147 -6.057 1.00 0.00 C ATOM 426 CZ3 TRP A 26 6.751 -8.847 -4.431 1.00 0.00 C ATOM 427 CH2 TRP A 26 7.474 -8.436 -5.545 1.00 0.00 C ATOM 0 H TRP A 26 3.226 -6.110 0.074 1.00 0.00 H new ATOM 0 HA TRP A 26 5.502 -5.085 -1.556 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.478 -6.722 -2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.951 -5.100 -2.916 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.537 -3.717 -4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.314 -4.445 -6.416 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.276 -8.404 -2.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.829 -6.794 -6.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.919 -9.849 -4.065 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.177 -9.109 -6.013 1.00 0.00 H new ATOM 438 N PRO A 27 4.619 -2.747 -1.395 1.00 0.00 N ATOM 439 CA PRO A 27 4.219 -1.385 -1.084 1.00 0.00 C ATOM 440 C PRO A 27 3.023 -0.957 -1.934 1.00 0.00 C ATOM 441 O PRO A 27 3.155 -0.751 -3.140 1.00 0.00 O ATOM 442 CB PRO A 27 5.460 -0.544 -1.337 1.00 0.00 C ATOM 443 CG PRO A 27 6.363 -1.390 -2.219 1.00 0.00 C ATOM 444 CD PRO A 27 5.838 -2.817 -2.194 1.00 0.00 C ATOM 0 HA PRO A 27 3.879 -1.271 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.203 0.395 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.956 -0.288 -0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.371 -1.004 -3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.391 -1.355 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.632 -3.181 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.564 -3.499 -1.751 1.00 0.00 H new ATOM 452 N ALA A 28 1.881 -0.833 -1.273 1.00 0.00 N ATOM 453 CA ALA A 28 0.663 -0.433 -1.954 1.00 0.00 C ATOM 454 C ALA A 28 0.006 0.715 -1.182 1.00 0.00 C ATOM 455 O ALA A 28 0.315 0.937 -0.013 1.00 0.00 O ATOM 456 CB ALA A 28 -0.264 -1.643 -2.098 1.00 0.00 C ATOM 0 H ALA A 28 1.775 -1.003 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 28 0.886 -0.072 -2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.178 -1.342 -2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.237 -2.418 -2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.512 -2.031 -1.110 1.00 0.00 H new ATOM 462 N ARG A 29 -0.887 1.413 -1.870 1.00 0.00 N ATOM 463 CA ARG A 29 -1.590 2.531 -1.263 1.00 0.00 C ATOM 464 C ARG A 29 -3.008 2.117 -0.869 1.00 0.00 C ATOM 465 O ARG A 29 -3.573 1.192 -1.452 1.00 0.00 O ATOM 466 CB ARG A 29 -1.661 3.721 -2.222 1.00 0.00 C ATOM 467 CG ARG A 29 -2.179 4.971 -1.507 1.00 0.00 C ATOM 468 CD ARG A 29 -1.869 6.233 -2.316 1.00 0.00 C ATOM 469 NE ARG A 29 -3.045 7.131 -2.323 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.092 8.300 -2.973 1.00 0.00 C ATOM 471 NH1 ARG A 29 -2.030 8.723 -3.673 1.00 0.00 N ATOM 472 NH2 ARG A 29 -4.202 9.051 -2.924 1.00 0.00 N ATOM 0 H ARG A 29 -1.139 1.226 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.035 2.828 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.672 3.918 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.315 3.479 -3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.255 4.888 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.722 5.046 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.010 6.748 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.601 5.963 -3.338 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.871 6.841 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.184 8.154 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.067 9.614 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.011 8.731 -2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.237 9.942 -3.420 1.00 0.00 H new ATOM 486 N ILE A 30 -3.543 2.820 0.118 1.00 0.00 N ATOM 487 CA ILE A 30 -4.885 2.536 0.597 1.00 0.00 C ATOM 488 C ILE A 30 -5.904 3.225 -0.313 1.00 0.00 C ATOM 489 O ILE A 30 -5.620 4.280 -0.883 1.00 0.00 O ATOM 490 CB ILE A 30 -5.020 2.921 2.072 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.732 1.821 2.862 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.714 4.277 2.223 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.251 1.961 2.751 1.00 0.00 C ATOM 0 H ILE A 30 -3.071 3.586 0.599 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.087 1.466 0.550 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.019 3.023 2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.425 0.844 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.434 1.870 3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.797 4.527 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.130 5.043 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.710 4.227 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.732 1.167 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.557 2.929 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.548 1.887 1.705 1.00 0.00 H new ATOM 505 N ASP A 31 -7.069 2.603 -0.424 1.00 0.00 N ATOM 506 CA ASP A 31 -8.130 3.144 -1.255 1.00 0.00 C ATOM 507 C ASP A 31 -9.470 2.561 -0.806 1.00 0.00 C ATOM 508 O ASP A 31 -9.521 1.459 -0.261 1.00 0.00 O ATOM 509 CB ASP A 31 -7.921 2.772 -2.725 1.00 0.00 C ATOM 510 CG ASP A 31 -6.993 3.707 -3.503 1.00 0.00 C ATOM 511 OD1 ASP A 31 -7.132 4.933 -3.311 1.00 0.00 O ATOM 512 OD2 ASP A 31 -6.166 3.172 -4.274 1.00 0.00 O ATOM 0 H ASP A 31 -7.301 1.729 0.048 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.120 4.229 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.518 1.761 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.892 2.753 -3.221 1.00 0.00 H new ATOM 517 N GLU A 32 -10.525 3.326 -1.051 1.00 0.00 N ATOM 518 CA GLU A 32 -11.862 2.898 -0.678 1.00 0.00 C ATOM 519 C GLU A 32 -12.710 2.654 -1.929 1.00 0.00 C ATOM 520 O GLU A 32 -12.438 3.217 -2.988 1.00 0.00 O ATOM 521 CB GLU A 32 -12.528 3.923 0.243 1.00 0.00 C ATOM 522 CG GLU A 32 -13.565 3.255 1.147 1.00 0.00 C ATOM 523 CD GLU A 32 -14.206 4.274 2.093 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.071 5.034 1.607 1.00 0.00 O ATOM 525 OE2 GLU A 32 -13.816 4.269 3.280 1.00 0.00 O ATOM 0 H GLU A 32 -10.480 4.239 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.782 1.960 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.771 4.415 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.007 4.698 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.336 2.785 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.091 2.463 1.727 1.00 0.00 H new ATOM 532 N MET A 33 -13.720 1.814 -1.765 1.00 0.00 N ATOM 533 CA MET A 33 -14.608 1.487 -2.866 1.00 0.00 C ATOM 534 C MET A 33 -15.541 2.658 -3.185 1.00 0.00 C ATOM 535 O MET A 33 -16.328 3.078 -2.339 1.00 0.00 O ATOM 536 CB MET A 33 -15.443 0.256 -2.503 1.00 0.00 C ATOM 537 CG MET A 33 -14.787 -1.023 -3.026 1.00 0.00 C ATOM 538 SD MET A 33 -14.314 -2.070 -1.659 1.00 0.00 S ATOM 539 CE MET A 33 -13.233 -0.955 -0.777 1.00 0.00 C ATOM 0 H MET A 33 -13.943 1.349 -0.885 1.00 0.00 H new ATOM 0 HA MET A 33 -14.000 1.279 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.556 0.195 -1.421 1.00 0.00 H new ATOM 0 HB3 MET A 33 -16.444 0.354 -2.923 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.478 -1.555 -3.680 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.910 -0.774 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 33 -12.446 -1.525 -0.283 1.00 0.00 H new ATOM 0 HE2 MET A 33 -12.785 -0.251 -1.479 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.807 -0.407 -0.030 1.00 0.00 H new ATOM 549 N PRO A 34 -15.416 3.166 -4.440 1.00 0.00 N ATOM 550 CA PRO A 34 -16.237 4.281 -4.881 1.00 0.00 C ATOM 551 C PRO A 34 -17.670 3.827 -5.170 1.00 0.00 C ATOM 552 O PRO A 34 -17.977 2.639 -5.083 1.00 0.00 O ATOM 553 CB PRO A 34 -15.529 4.830 -6.110 1.00 0.00 C ATOM 554 CG PRO A 34 -14.599 3.725 -6.584 1.00 0.00 C ATOM 555 CD PRO A 34 -14.494 2.694 -5.469 1.00 0.00 C ATOM 0 HA PRO A 34 -16.341 5.053 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -16.246 5.097 -6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.970 5.734 -5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.985 3.265 -7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.616 4.130 -6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.769 1.700 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.475 2.626 -5.087 1.00 0.00 H new ATOM 563 N GLU A 35 -18.507 4.796 -5.508 1.00 0.00 N ATOM 564 CA GLU A 35 -19.899 4.511 -5.809 1.00 0.00 C ATOM 565 C GLU A 35 -20.047 4.070 -7.268 1.00 0.00 C ATOM 566 O GLU A 35 -20.930 4.549 -7.978 1.00 0.00 O ATOM 567 CB GLU A 35 -20.785 5.722 -5.511 1.00 0.00 C ATOM 568 CG GLU A 35 -20.402 6.911 -6.393 1.00 0.00 C ATOM 569 CD GLU A 35 -21.368 8.081 -6.187 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.562 7.894 -6.508 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.890 9.134 -5.712 1.00 0.00 O ATOM 0 H GLU A 35 -18.248 5.780 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.229 3.695 -5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.830 5.462 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.689 5.998 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.386 7.229 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.409 6.609 -7.440 1.00 0.00 H new ATOM 578 N ALA A 36 -19.170 3.163 -7.669 1.00 0.00 N ATOM 579 CA ALA A 36 -19.191 2.652 -9.029 1.00 0.00 C ATOM 580 C ALA A 36 -19.469 1.147 -9.000 1.00 0.00 C ATOM 581 O ALA A 36 -20.393 0.670 -9.657 1.00 0.00 O ATOM 582 CB ALA A 36 -17.868 2.988 -9.721 1.00 0.00 C ATOM 0 H ALA A 36 -18.440 2.768 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.988 3.123 -9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.883 2.605 -10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -17.733 4.069 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.044 2.530 -9.174 1.00 0.00 H new ATOM 588 N ALA A 37 -18.651 0.442 -8.234 1.00 0.00 N ATOM 589 CA ALA A 37 -18.797 -0.999 -8.110 1.00 0.00 C ATOM 590 C ALA A 37 -19.875 -1.311 -7.069 1.00 0.00 C ATOM 591 O ALA A 37 -20.542 -2.340 -7.152 1.00 0.00 O ATOM 592 CB ALA A 37 -17.446 -1.620 -7.753 1.00 0.00 C ATOM 0 H ALA A 37 -17.884 0.841 -7.692 1.00 0.00 H new ATOM 0 HA ALA A 37 -19.117 -1.435 -9.057 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.555 -2.700 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.723 -1.395 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.095 -1.208 -6.807 1.00 0.00 H new ATOM 598 N VAL A 38 -20.011 -0.401 -6.115 1.00 0.00 N ATOM 599 CA VAL A 38 -20.996 -0.567 -5.061 1.00 0.00 C ATOM 600 C VAL A 38 -21.623 0.791 -4.737 1.00 0.00 C ATOM 601 O VAL A 38 -21.243 1.807 -5.314 1.00 0.00 O ATOM 602 CB VAL A 38 -20.353 -1.235 -3.844 1.00 0.00 C ATOM 603 CG1 VAL A 38 -19.827 -2.628 -4.195 1.00 0.00 C ATOM 604 CG2 VAL A 38 -19.241 -0.359 -3.262 1.00 0.00 C ATOM 0 H VAL A 38 -19.456 0.452 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 38 -21.800 -1.226 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 38 -21.123 -1.351 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -19.375 -3.080 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -20.651 -3.252 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -19.079 -2.546 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -18.800 -0.857 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -18.473 -0.196 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -19.657 0.601 -2.955 1.00 0.00 H new ATOM 614 N LYS A 39 -22.572 0.763 -3.813 1.00 0.00 N ATOM 615 CA LYS A 39 -23.256 1.978 -3.406 1.00 0.00 C ATOM 616 C LYS A 39 -22.222 3.069 -3.122 1.00 0.00 C ATOM 617 O LYS A 39 -21.994 3.945 -3.955 1.00 0.00 O ATOM 618 CB LYS A 39 -24.193 1.698 -2.228 1.00 0.00 C ATOM 619 CG LYS A 39 -23.565 0.697 -1.256 1.00 0.00 C ATOM 620 CD LYS A 39 -24.350 -0.618 -1.241 1.00 0.00 C ATOM 621 CE LYS A 39 -23.823 -1.558 -0.155 1.00 0.00 C ATOM 622 NZ LYS A 39 -23.246 -2.778 -0.762 1.00 0.00 N ATOM 0 H LYS A 39 -22.883 -0.082 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 39 -23.894 2.343 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -24.414 2.628 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -25.141 1.307 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -22.531 0.505 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.543 1.123 -0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -25.407 -0.413 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -24.274 -1.102 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -23.066 -1.048 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -24.632 -1.830 0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -22.893 -3.405 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.978 -3.272 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -22.461 -2.515 -1.391 1.00 0.00 H new ATOM 636 N SER A 40 -21.621 2.979 -1.945 1.00 0.00 N ATOM 637 CA SER A 40 -20.616 3.948 -1.542 1.00 0.00 C ATOM 638 C SER A 40 -19.547 3.267 -0.686 1.00 0.00 C ATOM 639 O SER A 40 -18.379 3.218 -1.068 1.00 0.00 O ATOM 640 CB SER A 40 -21.248 5.110 -0.773 1.00 0.00 C ATOM 641 OG SER A 40 -21.146 4.937 0.637 1.00 0.00 O ATOM 0 H SER A 40 -21.811 2.250 -1.257 1.00 0.00 H new ATOM 0 HA SER A 40 -20.151 4.352 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.761 6.042 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 40 -22.298 5.200 -1.052 1.00 0.00 H new ATOM 0 HG SER A 40 -21.941 4.469 0.968 1.00 0.00 H new ATOM 647 N THR A 41 -19.984 2.755 0.456 1.00 0.00 N ATOM 648 CA THR A 41 -19.079 2.079 1.369 1.00 0.00 C ATOM 649 C THR A 41 -19.256 0.562 1.268 1.00 0.00 C ATOM 650 O THR A 41 -20.374 0.056 1.355 1.00 0.00 O ATOM 651 CB THR A 41 -19.327 2.626 2.776 1.00 0.00 C ATOM 652 OG1 THR A 41 -20.746 2.736 2.860 1.00 0.00 O ATOM 653 CG2 THR A 41 -18.833 4.065 2.940 1.00 0.00 C ATOM 0 H THR A 41 -20.954 2.795 0.769 1.00 0.00 H new ATOM 0 HA THR A 41 -18.038 2.273 1.109 1.00 0.00 H new ATOM 0 HB THR A 41 -18.832 1.986 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 41 -20.996 3.082 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.033 4.405 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 41 -17.761 4.106 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.353 4.711 2.232 1.00 0.00 H new ATOM 661 N ALA A 42 -18.134 -0.121 1.086 1.00 0.00 N ATOM 662 CA ALA A 42 -18.151 -1.569 0.972 1.00 0.00 C ATOM 663 C ALA A 42 -17.658 -2.185 2.283 1.00 0.00 C ATOM 664 O ALA A 42 -17.280 -1.467 3.208 1.00 0.00 O ATOM 665 CB ALA A 42 -17.305 -1.997 -0.228 1.00 0.00 C ATOM 0 H ALA A 42 -17.209 0.302 1.015 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.165 -1.929 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.318 -3.084 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.714 -1.557 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.279 -1.656 -0.090 1.00 0.00 H new ATOM 671 N ASN A 43 -17.676 -3.510 2.320 1.00 0.00 N ATOM 672 CA ASN A 43 -17.235 -4.231 3.503 1.00 0.00 C ATOM 673 C ASN A 43 -15.723 -4.456 3.423 1.00 0.00 C ATOM 674 O ASN A 43 -15.031 -4.414 4.439 1.00 0.00 O ATOM 675 CB ASN A 43 -17.912 -5.599 3.597 1.00 0.00 C ATOM 676 CG ASN A 43 -17.848 -6.337 2.259 1.00 0.00 C ATOM 677 OD1 ASN A 43 -16.694 -6.958 2.036 1.00 0.00 O flip ATOM 678 ND2 ASN A 43 -18.786 -6.341 1.478 1.00 0.00 N flip ATOM 0 H ASN A 43 -17.989 -4.102 1.551 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.498 -3.637 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.427 -6.196 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -18.952 -5.474 3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -19.645 -5.843 1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -18.710 -6.842 0.593 1.00 0.00 H new ATOM 685 N LYS A 44 -15.255 -4.688 2.205 1.00 0.00 N ATOM 686 CA LYS A 44 -13.839 -4.919 1.980 1.00 0.00 C ATOM 687 C LYS A 44 -13.157 -3.591 1.643 1.00 0.00 C ATOM 688 O LYS A 44 -13.804 -2.658 1.172 1.00 0.00 O ATOM 689 CB LYS A 44 -13.635 -6.001 0.917 1.00 0.00 C ATOM 690 CG LYS A 44 -13.715 -5.409 -0.491 1.00 0.00 C ATOM 691 CD LYS A 44 -15.157 -5.039 -0.849 1.00 0.00 C ATOM 692 CE LYS A 44 -15.345 -4.975 -2.366 1.00 0.00 C ATOM 693 NZ LYS A 44 -15.284 -6.331 -2.954 1.00 0.00 N ATOM 0 H LYS A 44 -15.832 -4.721 1.364 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.367 -5.300 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.665 -6.478 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.392 -6.777 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.082 -4.524 -0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.330 -6.128 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.841 -5.774 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.410 -4.075 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.304 -4.514 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.572 -4.346 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.795 -6.340 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.291 -6.596 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.723 -7.012 -2.302 1.00 0.00 H new ATOM 707 N TYR A 45 -11.858 -3.549 1.899 1.00 0.00 N ATOM 708 CA TYR A 45 -11.080 -2.351 1.631 1.00 0.00 C ATOM 709 C TYR A 45 -10.336 -2.468 0.299 1.00 0.00 C ATOM 710 O TYR A 45 -9.933 -3.560 -0.098 1.00 0.00 O ATOM 711 CB TYR A 45 -10.059 -2.248 2.765 1.00 0.00 C ATOM 712 CG TYR A 45 -10.170 -0.962 3.587 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.405 -0.383 3.800 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.035 -0.381 4.116 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.509 0.827 4.573 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.140 0.829 4.889 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.371 1.373 5.079 1.00 0.00 C ATOM 718 OH TYR A 45 -10.470 2.517 5.809 1.00 0.00 O ATOM 0 H TYR A 45 -11.324 -4.326 2.289 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.729 -1.477 1.573 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.181 -3.103 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.056 -2.313 2.344 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.293 -0.838 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.069 -0.834 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.469 1.290 4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.260 1.294 5.309 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.578 2.793 6.108 1.00 0.00 H new ATOM 728 N GLN A 46 -10.175 -1.327 -0.354 1.00 0.00 N ATOM 729 CA GLN A 46 -9.486 -1.288 -1.633 1.00 0.00 C ATOM 730 C GLN A 46 -8.019 -0.902 -1.435 1.00 0.00 C ATOM 731 O GLN A 46 -7.709 -0.015 -0.640 1.00 0.00 O ATOM 732 CB GLN A 46 -10.180 -0.325 -2.601 1.00 0.00 C ATOM 733 CG GLN A 46 -9.449 -0.277 -3.944 1.00 0.00 C ATOM 734 CD GLN A 46 -10.398 0.145 -5.068 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.101 -0.659 -5.657 1.00 0.00 O ATOM 736 NE2 GLN A 46 -10.376 1.449 -5.332 1.00 0.00 N ATOM 0 H GLN A 46 -10.510 -0.423 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.523 -2.284 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.212 -0.640 -2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.213 0.673 -2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.616 0.423 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.027 -1.257 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.763 2.067 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.972 1.831 -6.066 1.00 0.00 H new ATOM 745 N VAL A 47 -7.156 -1.588 -2.168 1.00 0.00 N ATOM 746 CA VAL A 47 -5.728 -1.330 -2.082 1.00 0.00 C ATOM 747 C VAL A 47 -5.144 -1.248 -3.494 1.00 0.00 C ATOM 748 O VAL A 47 -5.534 -2.010 -4.376 1.00 0.00 O ATOM 749 CB VAL A 47 -5.055 -2.395 -1.216 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.557 -2.480 -1.519 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.299 -2.129 0.271 1.00 0.00 C ATOM 0 H VAL A 47 -7.417 -2.323 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.541 -0.372 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.503 -3.358 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.101 -3.245 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.412 -2.739 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.089 -1.517 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.809 -2.901 0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.892 -1.154 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.370 -2.142 0.472 1.00 0.00 H new ATOM 761 N PHE A 48 -4.217 -0.316 -3.662 1.00 0.00 N ATOM 762 CA PHE A 48 -3.574 -0.124 -4.952 1.00 0.00 C ATOM 763 C PHE A 48 -2.091 -0.492 -4.884 1.00 0.00 C ATOM 764 O PHE A 48 -1.280 0.275 -4.366 1.00 0.00 O ATOM 765 CB PHE A 48 -3.705 1.359 -5.301 1.00 0.00 C ATOM 766 CG PHE A 48 -4.216 1.622 -6.718 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.992 0.710 -7.703 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.896 2.767 -6.997 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.466 0.954 -9.018 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.371 3.011 -8.312 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.145 2.099 -9.295 1.00 0.00 C ATOM 0 H PHE A 48 -3.896 0.314 -2.927 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.045 -0.760 -5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.382 1.831 -4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.733 1.837 -5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.453 -0.200 -7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.075 3.492 -6.216 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.287 0.230 -9.799 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.911 3.920 -8.532 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.505 2.284 -10.296 1.00 0.00 H new ATOM 781 N PHE A 49 -1.778 -1.664 -5.417 1.00 0.00 N ATOM 782 CA PHE A 49 -0.407 -2.142 -5.423 1.00 0.00 C ATOM 783 C PHE A 49 0.441 -1.359 -6.428 1.00 0.00 C ATOM 784 O PHE A 49 0.174 -1.387 -7.627 1.00 0.00 O ATOM 785 CB PHE A 49 -0.446 -3.612 -5.845 1.00 0.00 C ATOM 786 CG PHE A 49 -0.633 -4.589 -4.682 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.673 -4.428 -3.820 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.240 -5.617 -4.510 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.847 -5.334 -2.740 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.066 -6.522 -3.430 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.973 -6.362 -2.568 1.00 0.00 C ATOM 0 H PHE A 49 -2.452 -2.297 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 49 0.035 -2.014 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.258 -3.753 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.481 -3.855 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.366 -3.611 -3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.065 -5.745 -5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.673 -5.207 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.760 -7.338 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.104 -7.051 -1.747 1.00 0.00 H new ATOM 801 N PHE A 50 1.448 -0.678 -5.898 1.00 0.00 N ATOM 802 CA PHE A 50 2.338 0.112 -6.734 1.00 0.00 C ATOM 803 C PHE A 50 3.275 -0.789 -7.541 1.00 0.00 C ATOM 804 O PHE A 50 3.659 -0.447 -8.658 1.00 0.00 O ATOM 805 CB PHE A 50 3.172 0.987 -5.796 1.00 0.00 C ATOM 806 CG PHE A 50 2.443 2.238 -5.301 1.00 0.00 C ATOM 807 CD1 PHE A 50 1.984 3.156 -6.194 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.255 2.434 -3.968 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.309 4.317 -5.734 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.579 3.594 -3.509 1.00 0.00 C ATOM 811 CZ PHE A 50 1.120 4.512 -4.402 1.00 0.00 C ATOM 0 H PHE A 50 1.667 -0.657 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 50 1.757 0.709 -7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.476 0.392 -4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.083 1.290 -6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.133 3.002 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.621 1.706 -3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.945 5.046 -6.443 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.429 3.748 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.606 5.395 -4.053 1.00 0.00 H new ATOM 821 N GLY A 51 3.618 -1.920 -6.942 1.00 0.00 N ATOM 822 CA GLY A 51 4.504 -2.872 -7.591 1.00 0.00 C ATOM 823 C GLY A 51 3.943 -3.303 -8.948 1.00 0.00 C ATOM 824 O GLY A 51 4.609 -3.157 -9.974 1.00 0.00 O ATOM 0 H GLY A 51 3.298 -2.199 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.489 -2.425 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.635 -3.746 -6.953 1.00 0.00 H new ATOM 828 N THR A 52 2.727 -3.828 -8.912 1.00 0.00 N ATOM 829 CA THR A 52 2.071 -4.282 -10.126 1.00 0.00 C ATOM 830 C THR A 52 1.251 -3.148 -10.745 1.00 0.00 C ATOM 831 O THR A 52 0.965 -3.166 -11.941 1.00 0.00 O ATOM 832 CB THR A 52 1.237 -5.517 -9.780 1.00 0.00 C ATOM 833 OG1 THR A 52 0.086 -4.987 -9.127 1.00 0.00 O ATOM 834 CG2 THR A 52 1.900 -6.391 -8.713 1.00 0.00 C ATOM 0 H THR A 52 2.179 -3.949 -8.060 1.00 0.00 H new ATOM 0 HA THR A 52 2.799 -4.567 -10.886 1.00 0.00 H new ATOM 0 HB THR A 52 1.071 -6.107 -10.681 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.511 -5.720 -8.870 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.267 -7.254 -8.504 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.871 -6.732 -9.073 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.035 -5.811 -7.800 1.00 0.00 H new ATOM 842 N HIS A 53 0.894 -2.190 -9.902 1.00 0.00 N ATOM 843 CA HIS A 53 0.111 -1.051 -10.351 1.00 0.00 C ATOM 844 C HIS A 53 -1.336 -1.486 -10.591 1.00 0.00 C ATOM 845 O HIS A 53 -1.972 -1.038 -11.544 1.00 0.00 O ATOM 846 CB HIS A 53 0.750 -0.407 -11.584 1.00 0.00 C ATOM 847 CG HIS A 53 1.081 1.055 -11.409 1.00 0.00 C ATOM 848 ND1 HIS A 53 1.916 1.744 -12.271 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.680 1.954 -10.463 1.00 0.00 C ATOM 850 CE1 HIS A 53 2.008 2.997 -11.854 1.00 0.00 C ATOM 851 NE2 HIS A 53 1.242 3.126 -10.733 1.00 0.00 N ATOM 0 H HIS A 53 1.133 -2.179 -8.910 1.00 0.00 H new ATOM 0 HA HIS A 53 0.099 -0.284 -9.577 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.663 -0.949 -11.833 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.073 -0.517 -12.431 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.018 1.747 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.588 3.780 -12.320 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.121 3.982 -10.191 1.00 0.00 H new ATOM 859 N GLU A 54 -1.814 -2.352 -9.710 1.00 0.00 N ATOM 860 CA GLU A 54 -3.175 -2.851 -9.814 1.00 0.00 C ATOM 861 C GLU A 54 -3.899 -2.697 -8.476 1.00 0.00 C ATOM 862 O GLU A 54 -3.272 -2.715 -7.419 1.00 0.00 O ATOM 863 CB GLU A 54 -3.189 -4.307 -10.281 1.00 0.00 C ATOM 864 CG GLU A 54 -2.665 -4.430 -11.714 1.00 0.00 C ATOM 865 CD GLU A 54 -3.549 -5.362 -12.544 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.642 -6.548 -12.160 1.00 0.00 O ATOM 867 OE2 GLU A 54 -4.112 -4.868 -13.544 1.00 0.00 O ATOM 0 H GLU A 54 -1.283 -2.721 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.704 -2.259 -10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.576 -4.913 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.204 -4.700 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.633 -3.445 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.643 -4.809 -11.700 1.00 0.00 H new ATOM 874 N THR A 55 -5.214 -2.550 -8.565 1.00 0.00 N ATOM 875 CA THR A 55 -6.032 -2.393 -7.375 1.00 0.00 C ATOM 876 C THR A 55 -6.610 -3.742 -6.942 1.00 0.00 C ATOM 877 O THR A 55 -7.447 -4.315 -7.637 1.00 0.00 O ATOM 878 CB THR A 55 -7.102 -1.342 -7.671 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.397 -0.105 -7.624 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.137 -1.224 -6.550 1.00 0.00 C ATOM 0 H THR A 55 -5.732 -2.536 -9.443 1.00 0.00 H new ATOM 0 HA THR A 55 -5.437 -2.044 -6.531 1.00 0.00 H new ATOM 0 HB THR A 55 -7.606 -1.593 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.458 -0.255 -7.861 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.873 -0.464 -6.813 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.638 -2.183 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.638 -0.942 -5.623 1.00 0.00 H new ATOM 888 N ALA A 56 -6.138 -4.213 -5.796 1.00 0.00 N ATOM 889 CA ALA A 56 -6.596 -5.483 -5.263 1.00 0.00 C ATOM 890 C ALA A 56 -7.344 -5.241 -3.950 1.00 0.00 C ATOM 891 O ALA A 56 -6.903 -4.450 -3.118 1.00 0.00 O ATOM 892 CB ALA A 56 -5.403 -6.425 -5.090 1.00 0.00 C ATOM 0 H ALA A 56 -5.442 -3.736 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.290 -5.961 -5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.747 -7.379 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.925 -6.588 -6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.685 -5.980 -4.401 1.00 0.00 H new ATOM 898 N PHE A 57 -8.462 -5.937 -3.806 1.00 0.00 N ATOM 899 CA PHE A 57 -9.275 -5.807 -2.609 1.00 0.00 C ATOM 900 C PHE A 57 -8.602 -6.487 -1.414 1.00 0.00 C ATOM 901 O PHE A 57 -8.326 -7.684 -1.451 1.00 0.00 O ATOM 902 CB PHE A 57 -10.606 -6.503 -2.893 1.00 0.00 C ATOM 903 CG PHE A 57 -10.579 -8.017 -2.667 1.00 0.00 C ATOM 904 CD1 PHE A 57 -9.969 -8.828 -3.571 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.165 -8.549 -1.561 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.943 -10.232 -3.360 1.00 0.00 C ATOM 907 CE2 PHE A 57 -11.139 -9.953 -1.350 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.529 -10.765 -2.254 1.00 0.00 C ATOM 0 H PHE A 57 -8.824 -6.593 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.412 -4.754 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.376 -6.065 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.894 -6.305 -3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.504 -8.405 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.650 -7.904 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.458 -10.877 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.604 -10.376 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.510 -11.833 -2.094 1.00 0.00 H new ATOM 918 N LEU A 58 -8.360 -5.693 -0.381 1.00 0.00 N ATOM 919 CA LEU A 58 -7.726 -6.204 0.823 1.00 0.00 C ATOM 920 C LEU A 58 -8.306 -5.485 2.042 1.00 0.00 C ATOM 921 O LEU A 58 -9.139 -4.590 1.904 1.00 0.00 O ATOM 922 CB LEU A 58 -6.204 -6.098 0.711 1.00 0.00 C ATOM 923 CG LEU A 58 -5.520 -7.149 -0.165 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.005 -6.938 -0.194 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.894 -8.563 0.284 1.00 0.00 C ATOM 0 H LEU A 58 -8.591 -4.700 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.940 -7.266 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.956 -5.111 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.781 -6.159 1.714 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.880 -7.029 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.544 -7.699 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.783 -5.950 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.607 -7.015 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.395 -9.292 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.581 -8.711 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.973 -8.695 0.210 1.00 0.00 H new ATOM 937 N GLY A 59 -7.840 -5.901 3.212 1.00 0.00 N ATOM 938 CA GLY A 59 -8.302 -5.308 4.455 1.00 0.00 C ATOM 939 C GLY A 59 -7.127 -4.778 5.279 1.00 0.00 C ATOM 940 O GLY A 59 -6.042 -4.553 4.746 1.00 0.00 O ATOM 0 H GLY A 59 -7.147 -6.641 3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.995 -4.495 4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.852 -6.050 5.034 1.00 0.00 H new ATOM 944 N PRO A 60 -7.390 -4.587 6.600 1.00 0.00 N ATOM 945 CA PRO A 60 -6.367 -4.087 7.502 1.00 0.00 C ATOM 946 C PRO A 60 -5.344 -5.176 7.827 1.00 0.00 C ATOM 947 O PRO A 60 -4.189 -4.878 8.125 1.00 0.00 O ATOM 948 CB PRO A 60 -7.126 -3.600 8.725 1.00 0.00 C ATOM 949 CG PRO A 60 -8.492 -4.265 8.662 1.00 0.00 C ATOM 950 CD PRO A 60 -8.664 -4.841 7.265 1.00 0.00 C ATOM 0 HA PRO A 60 -5.780 -3.279 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.603 -3.870 9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.220 -2.514 8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.569 -5.052 9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.279 -3.542 8.877 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.886 -5.908 7.301 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.489 -4.361 6.738 1.00 0.00 H new ATOM 958 N LYS A 61 -5.806 -6.416 7.763 1.00 0.00 N ATOM 959 CA LYS A 61 -4.945 -7.552 8.047 1.00 0.00 C ATOM 960 C LYS A 61 -3.936 -7.720 6.909 1.00 0.00 C ATOM 961 O LYS A 61 -2.800 -8.131 7.138 1.00 0.00 O ATOM 962 CB LYS A 61 -5.781 -8.803 8.317 1.00 0.00 C ATOM 963 CG LYS A 61 -4.885 -10.022 8.550 1.00 0.00 C ATOM 964 CD LYS A 61 -5.111 -10.610 9.945 1.00 0.00 C ATOM 965 CE LYS A 61 -4.005 -10.177 10.908 1.00 0.00 C ATOM 966 NZ LYS A 61 -2.761 -10.934 10.644 1.00 0.00 N ATOM 0 H LYS A 61 -6.766 -6.659 7.519 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.372 -7.377 8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.414 -8.640 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.444 -8.991 7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.092 -10.780 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.839 -9.736 8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.079 -10.286 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.140 -11.698 9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.818 -9.109 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.326 -10.341 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.071 -10.741 11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.972 -11.952 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.364 -10.642 9.728 1.00 0.00 H new ATOM 980 N ASP A 62 -4.387 -7.391 5.707 1.00 0.00 N ATOM 981 CA ASP A 62 -3.540 -7.500 4.533 1.00 0.00 C ATOM 982 C ASP A 62 -2.666 -6.249 4.421 1.00 0.00 C ATOM 983 O ASP A 62 -1.779 -6.180 3.573 1.00 0.00 O ATOM 984 CB ASP A 62 -4.376 -7.609 3.257 1.00 0.00 C ATOM 985 CG ASP A 62 -4.710 -9.038 2.822 1.00 0.00 C ATOM 986 OD1 ASP A 62 -3.817 -9.668 2.215 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.849 -9.466 3.105 1.00 0.00 O ATOM 0 H ASP A 62 -5.330 -7.048 5.522 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.930 -8.397 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.308 -7.063 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.841 -7.114 2.447 1.00 0.00 H new ATOM 992 N LEU A 63 -2.949 -5.289 5.290 1.00 0.00 N ATOM 993 CA LEU A 63 -2.201 -4.044 5.300 1.00 0.00 C ATOM 994 C LEU A 63 -1.474 -3.902 6.637 1.00 0.00 C ATOM 995 O LEU A 63 -2.107 -3.808 7.687 1.00 0.00 O ATOM 996 CB LEU A 63 -3.120 -2.865 4.972 1.00 0.00 C ATOM 997 CG LEU A 63 -3.267 -2.524 3.487 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.062 -1.229 3.299 1.00 0.00 C ATOM 999 CD2 LEU A 63 -1.903 -2.463 2.800 1.00 0.00 C ATOM 0 H LEU A 63 -3.686 -5.349 5.992 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.438 -4.051 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.110 -3.078 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.747 -1.983 5.492 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.833 -3.323 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.152 -1.009 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.056 -1.346 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.544 -0.409 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.037 -2.219 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.290 -1.697 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.408 -3.430 2.888 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.151 -3.890 6.557 1.00 0.00 N ATOM 1012 CA PHE A 64 0.670 -3.761 7.748 1.00 0.00 C ATOM 1013 C PHE A 64 1.424 -2.429 7.754 1.00 0.00 C ATOM 1014 O PHE A 64 1.973 -2.019 6.734 1.00 0.00 O ATOM 1015 CB PHE A 64 1.685 -4.906 7.719 1.00 0.00 C ATOM 1016 CG PHE A 64 1.311 -6.091 8.613 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.231 -6.857 8.310 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.061 -6.377 9.710 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.117 -7.957 9.140 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.716 -7.477 10.540 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.634 -8.244 10.237 1.00 0.00 C ATOM 0 H PHE A 64 0.372 -3.968 5.685 1.00 0.00 H new ATOM 0 HA PHE A 64 0.041 -3.796 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.792 -5.258 6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.658 -4.524 8.028 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.364 -6.630 7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.920 -5.768 9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.977 -8.564 8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.312 -7.704 11.411 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.371 -9.081 10.867 1.00 0.00 H new ATOM 1031 N PRO A 65 1.424 -1.774 8.945 1.00 0.00 N ATOM 1032 CA PRO A 65 2.100 -0.497 9.098 1.00 0.00 C ATOM 1033 C PRO A 65 3.617 -0.684 9.160 1.00 0.00 C ATOM 1034 O PRO A 65 4.099 -1.750 9.540 1.00 0.00 O ATOM 1035 CB PRO A 65 1.522 0.106 10.367 1.00 0.00 C ATOM 1036 CG PRO A 65 0.891 -1.049 11.128 1.00 0.00 C ATOM 1037 CD PRO A 65 0.783 -2.230 10.176 1.00 0.00 C ATOM 0 HA PRO A 65 1.939 0.168 8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.300 0.586 10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.781 0.871 10.134 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.497 -1.312 11.995 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.094 -0.768 11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.282 -3.111 10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.257 -2.505 10.002 1.00 0.00 H new ATOM 1045 N TYR A 66 4.327 0.370 8.783 1.00 0.00 N ATOM 1046 CA TYR A 66 5.780 0.335 8.792 1.00 0.00 C ATOM 1047 C TYR A 66 6.310 -0.014 10.183 1.00 0.00 C ATOM 1048 O TYR A 66 7.297 -0.738 10.312 1.00 0.00 O ATOM 1049 CB TYR A 66 6.238 1.746 8.423 1.00 0.00 C ATOM 1050 CG TYR A 66 7.657 2.082 8.885 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.740 1.709 8.115 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.855 2.756 10.073 1.00 0.00 C ATOM 1053 CE1 TYR A 66 10.076 2.023 8.549 1.00 0.00 C ATOM 1054 CE2 TYR A 66 9.192 3.070 10.508 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.236 2.689 9.725 1.00 0.00 C ATOM 1056 OH TYR A 66 11.497 2.986 10.136 1.00 0.00 O ATOM 0 H TYR A 66 3.923 1.253 8.470 1.00 0.00 H new ATOM 0 HA TYR A 66 6.151 -0.419 8.097 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.182 1.863 7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.545 2.467 8.858 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.585 1.181 7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 66 7.008 3.048 10.676 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.932 1.737 7.955 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.361 3.596 11.436 1.00 0.00 H new ATOM 0 HH TYR A 66 11.458 3.463 10.991 1.00 0.00 H new ATOM 1066 N GLU A 67 5.634 0.517 11.190 1.00 0.00 N ATOM 1067 CA GLU A 67 6.027 0.271 12.568 1.00 0.00 C ATOM 1068 C GLU A 67 6.018 -1.229 12.863 1.00 0.00 C ATOM 1069 O GLU A 67 6.986 -1.767 13.400 1.00 0.00 O ATOM 1070 CB GLU A 67 5.117 1.026 13.539 1.00 0.00 C ATOM 1071 CG GLU A 67 5.931 1.946 14.452 1.00 0.00 C ATOM 1072 CD GLU A 67 6.116 1.319 15.836 1.00 0.00 C ATOM 1073 OE1 GLU A 67 6.748 0.241 15.893 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.623 1.932 16.807 1.00 0.00 O ATOM 0 H GLU A 67 4.816 1.117 11.080 1.00 0.00 H new ATOM 0 HA GLU A 67 7.042 0.642 12.708 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.390 1.614 12.979 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.554 0.314 14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.905 2.140 14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.427 2.908 14.549 1.00 0.00 H new ATOM 1081 N GLU A 68 4.913 -1.865 12.499 1.00 0.00 N ATOM 1082 CA GLU A 68 4.766 -3.295 12.717 1.00 0.00 C ATOM 1083 C GLU A 68 5.649 -4.074 11.741 1.00 0.00 C ATOM 1084 O GLU A 68 6.346 -5.007 12.138 1.00 0.00 O ATOM 1085 CB GLU A 68 3.302 -3.719 12.591 1.00 0.00 C ATOM 1086 CG GLU A 68 2.943 -4.763 13.652 1.00 0.00 C ATOM 1087 CD GLU A 68 1.732 -4.314 14.474 1.00 0.00 C ATOM 1088 OE1 GLU A 68 0.785 -3.790 13.849 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.782 -4.506 15.709 1.00 0.00 O ATOM 0 H GLU A 68 4.112 -1.417 12.055 1.00 0.00 H new ATOM 0 HA GLU A 68 5.091 -3.525 13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.656 -2.848 12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.122 -4.128 11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.727 -5.717 13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.795 -4.925 14.312 1.00 0.00 H new ATOM 1096 N SER A 69 5.591 -3.664 10.482 1.00 0.00 N ATOM 1097 CA SER A 69 6.377 -4.313 9.447 1.00 0.00 C ATOM 1098 C SER A 69 7.854 -4.333 9.846 1.00 0.00 C ATOM 1099 O SER A 69 8.498 -5.380 9.802 1.00 0.00 O ATOM 1100 CB SER A 69 6.201 -3.607 8.101 1.00 0.00 C ATOM 1101 OG SER A 69 5.746 -4.500 7.086 1.00 0.00 O ATOM 0 H SER A 69 5.012 -2.890 10.156 1.00 0.00 H new ATOM 0 HA SER A 69 6.023 -5.338 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.489 -2.789 8.211 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.150 -3.165 7.797 1.00 0.00 H new ATOM 0 HG SER A 69 5.644 -4.012 6.242 1.00 0.00 H new ATOM 1107 N LYS A 70 8.347 -3.164 10.227 1.00 0.00 N ATOM 1108 CA LYS A 70 9.736 -3.034 10.633 1.00 0.00 C ATOM 1109 C LYS A 70 9.967 -3.842 11.912 1.00 0.00 C ATOM 1110 O LYS A 70 11.078 -4.297 12.171 1.00 0.00 O ATOM 1111 CB LYS A 70 10.123 -1.559 10.759 1.00 0.00 C ATOM 1112 CG LYS A 70 10.013 -1.085 12.209 1.00 0.00 C ATOM 1113 CD LYS A 70 10.021 0.442 12.289 1.00 0.00 C ATOM 1114 CE LYS A 70 10.773 0.922 13.533 1.00 0.00 C ATOM 1115 NZ LYS A 70 12.172 1.268 13.192 1.00 0.00 N ATOM 0 H LYS A 70 7.809 -2.298 10.263 1.00 0.00 H new ATOM 0 HA LYS A 70 10.395 -3.448 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.143 -1.415 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.475 -0.954 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.095 -1.471 12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.842 -1.487 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.489 0.854 11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.997 0.814 12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.270 1.791 13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.760 0.144 14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.668 1.592 14.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.654 0.430 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.178 2.026 12.480 1.00 0.00 H new ATOM 1129 N GLU A 71 8.896 -3.995 12.677 1.00 0.00 N ATOM 1130 CA GLU A 71 8.967 -4.739 13.923 1.00 0.00 C ATOM 1131 C GLU A 71 9.418 -6.176 13.658 1.00 0.00 C ATOM 1132 O GLU A 71 10.205 -6.735 14.421 1.00 0.00 O ATOM 1133 CB GLU A 71 7.623 -4.713 14.655 1.00 0.00 C ATOM 1134 CG GLU A 71 7.814 -4.389 16.138 1.00 0.00 C ATOM 1135 CD GLU A 71 6.506 -4.570 16.912 1.00 0.00 C ATOM 1136 OE1 GLU A 71 5.446 -4.291 16.307 1.00 0.00 O ATOM 1137 OE2 GLU A 71 6.593 -4.981 18.088 1.00 0.00 O ATOM 0 H GLU A 71 7.975 -3.616 12.458 1.00 0.00 H new ATOM 0 HA GLU A 71 9.704 -4.260 14.568 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.970 -3.970 14.198 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.129 -5.679 14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.583 -5.037 16.559 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.166 -3.363 16.247 1.00 0.00 H new ATOM 1144 N LYS A 72 8.900 -6.735 12.574 1.00 0.00 N ATOM 1145 CA LYS A 72 9.239 -8.097 12.200 1.00 0.00 C ATOM 1146 C LYS A 72 10.324 -8.069 11.121 1.00 0.00 C ATOM 1147 O LYS A 72 11.458 -8.477 11.364 1.00 0.00 O ATOM 1148 CB LYS A 72 7.984 -8.869 11.788 1.00 0.00 C ATOM 1149 CG LYS A 72 8.348 -10.138 11.016 1.00 0.00 C ATOM 1150 CD LYS A 72 7.164 -10.631 10.181 1.00 0.00 C ATOM 1151 CE LYS A 72 7.262 -10.126 8.740 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.135 -10.643 7.933 1.00 0.00 N ATOM 0 H LYS A 72 8.248 -6.269 11.943 1.00 0.00 H new ATOM 0 HA LYS A 72 9.650 -8.635 13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.407 -9.132 12.675 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.348 -8.234 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.199 -9.940 10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.655 -10.917 11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.138 -11.721 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.231 -10.288 10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.255 -9.036 8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.208 -10.443 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.216 -10.291 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.159 -11.683 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.236 -10.319 8.344 1.00 0.00 H new ATOM 1166 N PHE A 73 9.936 -7.581 9.950 1.00 0.00 N ATOM 1167 CA PHE A 73 10.862 -7.496 8.832 1.00 0.00 C ATOM 1168 C PHE A 73 10.795 -6.117 8.172 1.00 0.00 C ATOM 1169 O PHE A 73 11.773 -5.372 8.179 1.00 0.00 O ATOM 1170 CB PHE A 73 10.437 -8.557 7.817 1.00 0.00 C ATOM 1171 CG PHE A 73 11.363 -9.775 7.766 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.556 -9.695 7.117 1.00 0.00 C ATOM 1173 CD2 PHE A 73 10.992 -10.936 8.367 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.414 -10.825 7.070 1.00 0.00 C ATOM 1175 CE2 PHE A 73 11.851 -12.065 8.321 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.044 -11.986 7.672 1.00 0.00 C ATOM 0 H PHE A 73 8.995 -7.241 9.752 1.00 0.00 H new ATOM 0 HA PHE A 73 11.883 -7.654 9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.427 -8.891 8.057 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.396 -8.103 6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.850 -8.773 6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.044 -11.000 8.880 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.361 -10.762 6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.558 -12.987 8.801 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.697 -12.846 7.635 1.00 0.00 H new ATOM 1186 N GLY A 74 9.629 -5.819 7.614 1.00 0.00 N ATOM 1187 CA GLY A 74 9.422 -4.545 6.950 1.00 0.00 C ATOM 1188 C GLY A 74 10.159 -4.498 5.610 1.00 0.00 C ATOM 1189 O GLY A 74 10.112 -3.491 4.905 1.00 0.00 O ATOM 0 H GLY A 74 8.819 -6.439 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.356 -4.384 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.773 -3.736 7.591 1.00 0.00 H new ATOM 1193 N LYS A 75 10.826 -5.600 5.300 1.00 0.00 N ATOM 1194 CA LYS A 75 11.573 -5.697 4.057 1.00 0.00 C ATOM 1195 C LYS A 75 11.247 -7.026 3.372 1.00 0.00 C ATOM 1196 O LYS A 75 11.822 -8.060 3.709 1.00 0.00 O ATOM 1197 CB LYS A 75 13.067 -5.487 4.312 1.00 0.00 C ATOM 1198 CG LYS A 75 13.603 -6.519 5.307 1.00 0.00 C ATOM 1199 CD LYS A 75 14.674 -5.904 6.210 1.00 0.00 C ATOM 1200 CE LYS A 75 15.687 -6.961 6.658 1.00 0.00 C ATOM 1201 NZ LYS A 75 17.069 -6.467 6.469 1.00 0.00 N ATOM 0 H LYS A 75 10.865 -6.433 5.887 1.00 0.00 H new ATOM 0 HA LYS A 75 11.275 -4.904 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.614 -5.564 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.236 -4.482 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.784 -6.902 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.022 -7.368 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.189 -5.105 5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.203 -5.453 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.523 -7.209 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.541 -7.878 6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.743 -7.196 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.227 -6.253 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.209 -5.604 7.033 1.00 0.00 H new ATOM 1215 N PRO A 76 10.299 -6.954 2.400 1.00 0.00 N ATOM 1216 CA PRO A 76 9.889 -8.138 1.666 1.00 0.00 C ATOM 1217 C PRO A 76 10.954 -8.548 0.646 1.00 0.00 C ATOM 1218 O PRO A 76 11.949 -7.848 0.467 1.00 0.00 O ATOM 1219 CB PRO A 76 8.563 -7.764 1.022 1.00 0.00 C ATOM 1220 CG PRO A 76 8.509 -6.244 1.036 1.00 0.00 C ATOM 1221 CD PRO A 76 9.595 -5.748 1.975 1.00 0.00 C ATOM 0 HA PRO A 76 9.772 -9.011 2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.501 -8.148 0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.726 -8.190 1.575 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.662 -5.847 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.530 -5.900 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.268 -5.054 1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.170 -5.217 2.827 1.00 0.00 H new ATOM 1229 N ASN A 77 10.708 -9.681 0.005 1.00 0.00 N ATOM 1230 CA ASN A 77 11.633 -10.193 -0.992 1.00 0.00 C ATOM 1231 C ASN A 77 11.991 -9.074 -1.971 1.00 0.00 C ATOM 1232 O ASN A 77 11.114 -8.512 -2.625 1.00 0.00 O ATOM 1233 CB ASN A 77 11.006 -11.336 -1.791 1.00 0.00 C ATOM 1234 CG ASN A 77 11.161 -12.669 -1.054 1.00 0.00 C ATOM 1235 OD1 ASN A 77 11.128 -12.561 0.272 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 11.298 -13.724 -1.650 1.00 0.00 N flip ATOM 0 H ASN A 77 9.881 -10.259 0.157 1.00 0.00 H new ATOM 0 HA ASN A 77 12.518 -10.560 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.949 -11.130 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.478 -11.401 -2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.315 -13.735 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.396 -14.595 -1.129 1.00 0.00 H new ATOM 1243 N LYS A 78 13.281 -8.781 -2.040 1.00 0.00 N ATOM 1244 CA LYS A 78 13.766 -7.738 -2.929 1.00 0.00 C ATOM 1245 C LYS A 78 13.687 -8.228 -4.375 1.00 0.00 C ATOM 1246 O LYS A 78 14.704 -8.569 -4.977 1.00 0.00 O ATOM 1247 CB LYS A 78 15.167 -7.286 -2.509 1.00 0.00 C ATOM 1248 CG LYS A 78 15.532 -5.953 -3.167 1.00 0.00 C ATOM 1249 CD LYS A 78 16.465 -6.169 -4.361 1.00 0.00 C ATOM 1250 CE LYS A 78 17.915 -5.847 -3.989 1.00 0.00 C ATOM 1251 NZ LYS A 78 18.832 -6.858 -4.558 1.00 0.00 N ATOM 0 H LYS A 78 14.006 -9.248 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 78 13.134 -6.853 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.211 -7.185 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.897 -8.046 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.625 -5.445 -3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.014 -5.303 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.394 -7.202 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.150 -5.538 -5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.181 -4.857 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.021 -5.820 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.811 -6.625 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.588 -7.797 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.743 -6.864 -5.594 1.00 0.00 H new ATOM 1265 N ARG A 79 12.467 -8.251 -4.892 1.00 0.00 N ATOM 1266 CA ARG A 79 12.240 -8.693 -6.257 1.00 0.00 C ATOM 1267 C ARG A 79 12.372 -7.516 -7.226 1.00 0.00 C ATOM 1268 O ARG A 79 12.708 -6.406 -6.819 1.00 0.00 O ATOM 1269 CB ARG A 79 10.851 -9.318 -6.410 1.00 0.00 C ATOM 1270 CG ARG A 79 10.802 -10.706 -5.770 1.00 0.00 C ATOM 1271 CD ARG A 79 11.283 -11.780 -6.750 1.00 0.00 C ATOM 1272 NE ARG A 79 11.611 -13.024 -6.017 1.00 0.00 N ATOM 1273 CZ ARG A 79 11.971 -14.170 -6.608 1.00 0.00 C ATOM 1274 NH1 ARG A 79 12.052 -14.239 -7.944 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.250 -15.250 -5.863 1.00 0.00 N ATOM 0 H ARG A 79 11.625 -7.970 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 79 12.993 -9.446 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.105 -8.673 -5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.596 -9.392 -7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.425 -10.720 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.783 -10.928 -5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.510 -11.979 -7.493 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.160 -11.424 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 79 11.559 -13.007 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.839 -13.418 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.326 -15.112 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.188 -15.198 -4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.524 -16.123 -6.313 1.00 0.00 H new ATOM 1289 N LYS A 80 12.100 -7.801 -8.492 1.00 0.00 N ATOM 1290 CA LYS A 80 12.185 -6.779 -9.523 1.00 0.00 C ATOM 1291 C LYS A 80 11.132 -5.702 -9.254 1.00 0.00 C ATOM 1292 O LYS A 80 11.468 -4.583 -8.872 1.00 0.00 O ATOM 1293 CB LYS A 80 12.078 -7.411 -10.912 1.00 0.00 C ATOM 1294 CG LYS A 80 13.460 -7.588 -11.542 1.00 0.00 C ATOM 1295 CD LYS A 80 13.973 -9.015 -11.348 1.00 0.00 C ATOM 1296 CE LYS A 80 14.758 -9.144 -10.041 1.00 0.00 C ATOM 1297 NZ LYS A 80 14.814 -10.558 -9.607 1.00 0.00 N ATOM 0 H LYS A 80 11.821 -8.723 -8.827 1.00 0.00 H new ATOM 0 HA LYS A 80 13.158 -6.288 -9.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.582 -8.379 -10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.459 -6.784 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.411 -7.357 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.160 -6.882 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.133 -9.709 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.610 -9.293 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.769 -8.759 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.288 -8.538 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.350 -10.627 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.848 -10.914 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.283 -11.128 -10.340 1.00 0.00 H new ATOM 1311 N GLY A 81 9.878 -6.079 -9.465 1.00 0.00 N ATOM 1312 CA GLY A 81 8.775 -5.158 -9.251 1.00 0.00 C ATOM 1313 C GLY A 81 8.775 -4.627 -7.816 1.00 0.00 C ATOM 1314 O GLY A 81 8.086 -3.655 -7.510 1.00 0.00 O ATOM 0 H GLY A 81 9.603 -7.009 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.851 -4.326 -9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.831 -5.662 -9.456 1.00 0.00 H new ATOM 1318 N PHE A 82 9.555 -5.289 -6.974 1.00 0.00 N ATOM 1319 CA PHE A 82 9.653 -4.897 -5.578 1.00 0.00 C ATOM 1320 C PHE A 82 10.557 -3.672 -5.416 1.00 0.00 C ATOM 1321 O PHE A 82 10.328 -2.839 -4.540 1.00 0.00 O ATOM 1322 CB PHE A 82 10.270 -6.075 -4.823 1.00 0.00 C ATOM 1323 CG PHE A 82 10.936 -5.689 -3.502 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.054 -4.915 -3.504 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.409 -6.118 -2.323 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.671 -4.555 -2.277 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.028 -5.760 -1.097 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.146 -4.986 -1.099 1.00 0.00 C ATOM 0 H PHE A 82 10.125 -6.095 -7.232 1.00 0.00 H new ATOM 0 HA PHE A 82 8.666 -4.641 -5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.492 -6.812 -4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.009 -6.556 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.473 -4.574 -4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.520 -6.731 -2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.558 -3.939 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.611 -6.103 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.617 -4.714 -0.166 1.00 0.00 H new ATOM 1338 N SER A 83 11.565 -3.603 -6.273 1.00 0.00 N ATOM 1339 CA SER A 83 12.504 -2.495 -6.235 1.00 0.00 C ATOM 1340 C SER A 83 11.880 -1.258 -6.883 1.00 0.00 C ATOM 1341 O SER A 83 11.751 -0.216 -6.242 1.00 0.00 O ATOM 1342 CB SER A 83 13.814 -2.860 -6.938 1.00 0.00 C ATOM 1343 OG SER A 83 14.775 -1.812 -6.854 1.00 0.00 O ATOM 0 H SER A 83 11.752 -4.296 -6.998 1.00 0.00 H new ATOM 0 HA SER A 83 12.732 -2.274 -5.192 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.225 -3.765 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.613 -3.084 -7.986 1.00 0.00 H new ATOM 0 HG SER A 83 15.597 -2.084 -7.313 1.00 0.00 H new ATOM 1349 N GLU A 84 11.511 -1.414 -8.146 1.00 0.00 N ATOM 1350 CA GLU A 84 10.902 -0.321 -8.887 1.00 0.00 C ATOM 1351 C GLU A 84 9.669 0.201 -8.149 1.00 0.00 C ATOM 1352 O GLU A 84 9.420 1.405 -8.122 1.00 0.00 O ATOM 1353 CB GLU A 84 10.546 -0.756 -10.309 1.00 0.00 C ATOM 1354 CG GLU A 84 9.682 -2.018 -10.298 1.00 0.00 C ATOM 1355 CD GLU A 84 9.991 -2.907 -11.503 1.00 0.00 C ATOM 1356 OE1 GLU A 84 11.196 -3.109 -11.766 1.00 0.00 O ATOM 1357 OE2 GLU A 84 9.014 -3.366 -12.136 1.00 0.00 O ATOM 0 H GLU A 84 11.622 -2.279 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 84 11.627 0.490 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.014 0.049 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.459 -0.941 -10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.857 -2.574 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.628 -1.741 -10.307 1.00 0.00 H new ATOM 1364 N GLY A 85 8.929 -0.731 -7.566 1.00 0.00 N ATOM 1365 CA GLY A 85 7.727 -0.380 -6.828 1.00 0.00 C ATOM 1366 C GLY A 85 8.067 0.455 -5.593 1.00 0.00 C ATOM 1367 O GLY A 85 7.639 1.603 -5.477 1.00 0.00 O ATOM 0 H GLY A 85 9.139 -1.729 -7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.049 0.179 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.204 -1.287 -6.525 1.00 0.00 H new ATOM 1371 N LEU A 86 8.832 -0.154 -4.697 1.00 0.00 N ATOM 1372 CA LEU A 86 9.233 0.519 -3.475 1.00 0.00 C ATOM 1373 C LEU A 86 9.819 1.890 -3.821 1.00 0.00 C ATOM 1374 O LEU A 86 9.704 2.833 -3.040 1.00 0.00 O ATOM 1375 CB LEU A 86 10.180 -0.365 -2.662 1.00 0.00 C ATOM 1376 CG LEU A 86 11.228 0.367 -1.823 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.246 1.081 -2.715 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.566 1.325 -0.831 1.00 0.00 C ATOM 0 H LEU A 86 9.184 -1.106 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 86 8.368 0.693 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.582 -0.988 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.697 -1.036 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 86 11.775 -0.374 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.979 1.593 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.753 0.351 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.732 1.809 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.334 1.832 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.977 2.063 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.914 0.763 -0.162 1.00 0.00 H new ATOM 1390 N TRP A 87 10.432 1.957 -4.993 1.00 0.00 N ATOM 1391 CA TRP A 87 11.036 3.198 -5.453 1.00 0.00 C ATOM 1392 C TRP A 87 9.960 4.005 -6.180 1.00 0.00 C ATOM 1393 O TRP A 87 10.026 5.233 -6.228 1.00 0.00 O ATOM 1394 CB TRP A 87 12.265 2.921 -6.320 1.00 0.00 C ATOM 1395 CG TRP A 87 13.551 3.568 -5.802 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.967 4.830 -5.976 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.577 2.929 -5.014 1.00 0.00 C ATOM 1398 NE1 TRP A 87 15.182 5.051 -5.359 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.564 3.859 -4.755 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.668 1.611 -4.534 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.715 3.569 -4.011 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.824 1.337 -3.792 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.827 2.261 -3.524 1.00 0.00 C ATOM 0 H TRP A 87 10.524 1.173 -5.639 1.00 0.00 H new ATOM 0 HA TRP A 87 11.402 3.785 -4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.414 1.843 -6.387 1.00 0.00 H new ATOM 0 HB3 TRP A 87 12.072 3.280 -7.331 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.421 5.580 -6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.703 5.928 -5.348 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.907 0.868 -4.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.474 4.314 -3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.944 0.338 -3.401 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.690 1.971 -2.942 1.00 0.00 H new ATOM 1414 N GLU A 88 8.992 3.284 -6.729 1.00 0.00 N ATOM 1415 CA GLU A 88 7.904 3.919 -7.452 1.00 0.00 C ATOM 1416 C GLU A 88 6.945 4.603 -6.476 1.00 0.00 C ATOM 1417 O GLU A 88 6.178 5.480 -6.866 1.00 0.00 O ATOM 1418 CB GLU A 88 7.164 2.906 -8.329 1.00 0.00 C ATOM 1419 CG GLU A 88 6.009 3.571 -9.079 1.00 0.00 C ATOM 1420 CD GLU A 88 4.666 2.971 -8.658 1.00 0.00 C ATOM 1421 OE1 GLU A 88 4.651 1.753 -8.376 1.00 0.00 O ATOM 1422 OE2 GLU A 88 3.682 3.742 -8.629 1.00 0.00 O ATOM 0 H GLU A 88 8.939 2.266 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 88 8.326 4.680 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.858 2.462 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.781 2.095 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.011 4.643 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.147 3.445 -10.153 1.00 0.00 H new ATOM 1429 N ILE A 89 7.021 4.173 -5.224 1.00 0.00 N ATOM 1430 CA ILE A 89 6.169 4.733 -4.189 1.00 0.00 C ATOM 1431 C ILE A 89 6.976 5.729 -3.354 1.00 0.00 C ATOM 1432 O ILE A 89 6.466 6.781 -2.972 1.00 0.00 O ATOM 1433 CB ILE A 89 5.526 3.617 -3.363 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.856 4.180 -2.108 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.545 2.527 -3.027 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.897 4.564 -1.055 1.00 0.00 C ATOM 0 H ILE A 89 7.659 3.444 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 89 5.342 5.286 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 89 4.745 3.154 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.260 5.054 -2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.171 3.440 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.062 1.746 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.936 2.098 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.364 2.959 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.394 4.961 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.475 3.683 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.565 5.322 -1.464 1.00 0.00 H new ATOM 1448 N GLU A 90 8.221 5.362 -3.095 1.00 0.00 N ATOM 1449 CA GLU A 90 9.105 6.211 -2.312 1.00 0.00 C ATOM 1450 C GLU A 90 9.729 7.289 -3.200 1.00 0.00 C ATOM 1451 O GLU A 90 10.103 8.356 -2.717 1.00 0.00 O ATOM 1452 CB GLU A 90 10.185 5.382 -1.614 1.00 0.00 C ATOM 1453 CG GLU A 90 9.607 4.627 -0.414 1.00 0.00 C ATOM 1454 CD GLU A 90 10.685 4.361 0.637 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.748 3.836 0.240 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.423 4.688 1.814 1.00 0.00 O ATOM 0 H GLU A 90 8.640 4.488 -3.413 1.00 0.00 H new ATOM 0 HA GLU A 90 8.514 6.702 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.618 4.673 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.992 6.035 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.797 5.207 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.178 3.682 -0.747 1.00 0.00 H new ATOM 1463 N ASN A 91 9.823 6.972 -4.484 1.00 0.00 N ATOM 1464 CA ASN A 91 10.396 7.900 -5.443 1.00 0.00 C ATOM 1465 C ASN A 91 9.500 7.964 -6.681 1.00 0.00 C ATOM 1466 O ASN A 91 9.904 7.551 -7.767 1.00 0.00 O ATOM 1467 CB ASN A 91 11.786 7.444 -5.889 1.00 0.00 C ATOM 1468 CG ASN A 91 12.638 7.025 -4.688 1.00 0.00 C ATOM 1469 OD1 ASN A 91 12.110 6.039 -3.969 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.702 7.563 -4.433 1.00 0.00 N flip ATOM 0 H ASN A 91 9.512 6.086 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 91 10.474 8.875 -4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.693 6.608 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.282 8.252 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 91 14.049 8.315 -5.028 1.00 0.00 H new ATOM 0 HD22 ASN A 91 14.245 7.261 -3.624 1.00 0.00 H new ATOM 1477 N ASN A 92 8.299 8.487 -6.477 1.00 0.00 N ATOM 1478 CA ASN A 92 7.343 8.611 -7.564 1.00 0.00 C ATOM 1479 C ASN A 92 7.886 9.588 -8.607 1.00 0.00 C ATOM 1480 O ASN A 92 8.602 10.529 -8.269 1.00 0.00 O ATOM 1481 CB ASN A 92 6.004 9.153 -7.059 1.00 0.00 C ATOM 1482 CG ASN A 92 6.212 10.357 -6.138 1.00 0.00 C ATOM 1483 OD1 ASN A 92 7.263 10.976 -6.111 1.00 0.00 O ATOM 1484 ND2 ASN A 92 5.155 10.652 -5.386 1.00 0.00 N ATOM 0 H ASN A 92 7.967 8.829 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 92 7.192 7.621 -7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.382 9.442 -7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.469 8.369 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.194 11.438 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.305 10.092 -5.458 1.00 0.00 H new ATOM 1491 N PRO A 93 7.515 9.325 -9.890 1.00 0.00 N ATOM 1492 CA PRO A 93 7.957 10.170 -10.984 1.00 0.00 C ATOM 1493 C PRO A 93 7.192 11.495 -10.999 1.00 0.00 C ATOM 1494 O PRO A 93 7.725 12.521 -11.423 1.00 0.00 O ATOM 1495 CB PRO A 93 7.733 9.342 -12.237 1.00 0.00 C ATOM 1496 CG PRO A 93 6.747 8.252 -11.845 1.00 0.00 C ATOM 1497 CD PRO A 93 6.668 8.220 -10.328 1.00 0.00 C ATOM 0 HA PRO A 93 9.005 10.458 -10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 93 7.336 9.956 -13.045 1.00 0.00 H new ATOM 0 HB3 PRO A 93 8.669 8.912 -12.594 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.765 8.453 -12.274 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.072 7.286 -12.231 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.642 8.346 -9.982 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.023 7.268 -9.933 1.00 0.00 H new ATOM 1505 N THR A 94 5.953 11.432 -10.530 1.00 0.00 N ATOM 1506 CA THR A 94 5.111 12.614 -10.483 1.00 0.00 C ATOM 1507 C THR A 94 4.339 12.665 -9.162 1.00 0.00 C ATOM 1508 O THR A 94 3.189 12.235 -9.093 1.00 0.00 O ATOM 1509 CB THR A 94 4.204 12.596 -11.716 1.00 0.00 C ATOM 1510 OG1 THR A 94 5.101 12.769 -12.809 1.00 0.00 O ATOM 1511 CG2 THR A 94 3.288 13.820 -11.787 1.00 0.00 C ATOM 0 H THR A 94 5.514 10.581 -10.180 1.00 0.00 H new ATOM 0 HA THR A 94 5.706 13.527 -10.512 1.00 0.00 H new ATOM 0 HB THR A 94 3.598 11.690 -11.708 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.597 12.768 -13.649 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.666 13.758 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.651 13.850 -10.903 1.00 0.00 H new ATOM 0 HG23 THR A 94 3.893 14.725 -11.829 1.00 0.00 H new ATOM 1519 N VAL A 95 5.004 13.200 -8.147 1.00 0.00 N ATOM 1520 CA VAL A 95 4.395 13.314 -6.833 1.00 0.00 C ATOM 1521 C VAL A 95 3.252 14.330 -6.891 1.00 0.00 C ATOM 1522 O VAL A 95 3.489 15.530 -7.022 1.00 0.00 O ATOM 1523 CB VAL A 95 5.459 13.671 -5.794 1.00 0.00 C ATOM 1524 CG1 VAL A 95 6.269 14.893 -6.234 1.00 0.00 C ATOM 1525 CG2 VAL A 95 4.828 13.898 -4.418 1.00 0.00 C ATOM 0 H VAL A 95 5.957 13.558 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 95 3.966 12.360 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 95 6.144 12.827 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.018 15.125 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.764 14.679 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.602 15.746 -6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.606 14.150 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.110 14.716 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.318 12.990 -4.097 1.00 0.00 H new ATOM 1535 N LYS A 96 2.037 13.811 -6.793 1.00 0.00 N ATOM 1536 CA LYS A 96 0.857 14.658 -6.832 1.00 0.00 C ATOM 1537 C LYS A 96 0.689 15.356 -5.481 1.00 0.00 C ATOM 1538 O LYS A 96 0.204 16.484 -5.418 1.00 0.00 O ATOM 1539 CB LYS A 96 -0.368 13.850 -7.264 1.00 0.00 C ATOM 1540 CG LYS A 96 -0.705 12.771 -6.232 1.00 0.00 C ATOM 1541 CD LYS A 96 -2.207 12.735 -5.947 1.00 0.00 C ATOM 1542 CE LYS A 96 -2.913 11.727 -6.856 1.00 0.00 C ATOM 1543 NZ LYS A 96 -4.118 11.183 -6.190 1.00 0.00 N ATOM 0 H LYS A 96 1.844 12.815 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 96 0.975 15.440 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.221 14.516 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.179 13.386 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.377 11.798 -6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.160 12.964 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.377 12.470 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.633 13.727 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.194 12.208 -7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.231 10.915 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.585 10.501 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.842 10.706 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.775 11.959 -5.973 1.00 0.00 H new ATOM 1557 N ALA A 97 1.098 14.655 -4.435 1.00 0.00 N ATOM 1558 CA ALA A 97 1.000 15.193 -3.088 1.00 0.00 C ATOM 1559 C ALA A 97 2.114 14.599 -2.224 1.00 0.00 C ATOM 1560 O ALA A 97 2.596 13.501 -2.494 1.00 0.00 O ATOM 1561 CB ALA A 97 -0.392 14.904 -2.524 1.00 0.00 C ATOM 0 H ALA A 97 1.498 13.719 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 97 1.131 16.275 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.466 15.307 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.146 15.372 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.558 13.827 -2.498 1.00 0.00 H new ATOM 1567 N SER A 98 2.490 15.353 -1.201 1.00 0.00 N ATOM 1568 CA SER A 98 3.538 14.915 -0.294 1.00 0.00 C ATOM 1569 C SER A 98 3.047 13.729 0.539 1.00 0.00 C ATOM 1570 O SER A 98 3.704 12.690 0.593 1.00 0.00 O ATOM 1571 CB SER A 98 3.988 16.056 0.620 1.00 0.00 C ATOM 1572 OG SER A 98 5.272 16.556 0.258 1.00 0.00 O ATOM 0 H SER A 98 2.088 16.264 -0.980 1.00 0.00 H new ATOM 0 HA SER A 98 4.396 14.602 -0.889 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.259 16.865 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.013 15.705 1.652 1.00 0.00 H new ATOM 0 HG SER A 98 5.522 17.284 0.864 1.00 0.00 H new ATOM 1578 N GLY A 99 1.898 13.924 1.168 1.00 0.00 N ATOM 1579 CA GLY A 99 1.312 12.884 1.997 1.00 0.00 C ATOM 1580 C GLY A 99 1.043 13.397 3.413 1.00 0.00 C ATOM 1581 O GLY A 99 -0.009 13.977 3.677 1.00 0.00 O ATOM 0 H GLY A 99 1.356 14.787 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.380 12.539 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.983 12.026 2.039 1.00 0.00 H new ATOM 1585 N TYR A 100 2.012 13.165 4.287 1.00 0.00 N ATOM 1586 CA TYR A 100 1.892 13.596 5.669 1.00 0.00 C ATOM 1587 C TYR A 100 1.185 14.950 5.762 1.00 0.00 C ATOM 1588 O TYR A 100 -0.011 15.012 6.039 1.00 0.00 O ATOM 1589 CB TYR A 100 3.324 13.744 6.190 1.00 0.00 C ATOM 1590 CG TYR A 100 3.656 15.145 6.705 1.00 0.00 C ATOM 1591 CD1 TYR A 100 2.918 15.695 7.734 1.00 0.00 C ATOM 1592 CD2 TYR A 100 4.693 15.860 6.141 1.00 0.00 C ATOM 1593 CE1 TYR A 100 3.231 17.015 8.220 1.00 0.00 C ATOM 1594 CE2 TYR A 100 5.006 17.180 6.627 1.00 0.00 C ATOM 1595 CZ TYR A 100 4.259 17.692 7.641 1.00 0.00 C ATOM 1596 OH TYR A 100 4.555 18.937 8.099 1.00 0.00 O ATOM 0 H TYR A 100 2.884 12.684 4.064 1.00 0.00 H new ATOM 0 HA TYR A 100 1.309 12.878 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.484 13.025 6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.019 13.488 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.106 15.136 8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.270 15.430 5.335 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.663 17.457 9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.816 17.750 6.195 1.00 0.00 H new ATOM 0 HH TYR A 100 5.312 19.300 7.594 1.00 0.00 H new TER 1606 TYR A 100