USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 866 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 78 THR OG1 : rot 178:sc= -4.56! USER MOD Set 1.2: A 80 GLN : amide:sc= -0.891 K(o=-9.3,f=-3.5) USER MOD Set 1.3: A 81 GLN : amide:sc= -3.81! C(o=-9.3!,f=-3.5!) USER MOD Set 2.1: A 35 SER OG : rot -129:sc= 0.0571 USER MOD Set 2.2: A 47 SER OG : rot 177:sc= 0.058 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 1.13 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 27:sc= 0.525 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 94:sc= 0.406 USER MOD Single : A 22 HIS : no HD1:sc= -6.72! C(o=-6.7!,f=-8.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc=-0.00948 X(o=-0.0095,f=-0.083) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0.502 (180deg=0.265) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -4.44! K(o=-4.4!,f=-3.7) USER MOD Single : A 57 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 62 TYR OH : rot -62:sc= 0.688 USER MOD Single : A 65 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.0055) USER MOD Single : A 70 ASN : amide:sc= -5.34! C(o=-5.3!,f=-7.5!) USER MOD Single : A 73 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.097) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.268 K(o=-0.27,f=-2.8!) USER MOD Single : A 89 GLN : amide:sc= -3.21! C(o=-3.2!,f=-2.5!) USER MOD Single : A 90 CYS SG : rot 71:sc= -0.887! USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -2.46! C(o=-2.5!,f=-3.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.06 K(o=-1.1,f=-5.8!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.04) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot 30:sc= 0.0982 USER MOD Single : A 108 SER OG : rot 40:sc= 0.108 USER MOD Single : A 109 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.31) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 25:sc= 0.0921 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.415 -14.779 -8.929 1.00 0.00 N ATOM 2 CA GLY A 1 -16.664 -15.975 -8.588 1.00 0.00 C ATOM 3 C GLY A 1 -16.343 -16.013 -7.092 1.00 0.00 C ATOM 4 O GLY A 1 -15.495 -15.261 -6.616 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.620 -14.777 -9.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.308 -14.766 -8.396 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.855 -13.937 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.238 -16.860 -8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.738 -16.004 -9.163 1.00 0.00 H new ATOM 8 N SER A 2 -17.040 -16.897 -6.393 1.00 0.00 N ATOM 9 CA SER A 2 -16.840 -17.043 -4.961 1.00 0.00 C ATOM 10 C SER A 2 -16.893 -18.522 -4.573 1.00 0.00 C ATOM 11 O SER A 2 -17.973 -19.099 -4.459 1.00 0.00 O ATOM 12 CB SER A 2 -17.886 -16.250 -4.175 1.00 0.00 C ATOM 13 OG SER A 2 -19.196 -16.786 -4.340 1.00 0.00 O ATOM 0 H SER A 2 -17.743 -17.519 -6.791 1.00 0.00 H new ATOM 0 HA SER A 2 -15.857 -16.644 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.624 -16.253 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.875 -15.211 -4.503 1.00 0.00 H new ATOM 0 HG SER A 2 -19.168 -17.759 -4.224 1.00 0.00 H new ATOM 19 N SER A 3 -15.713 -19.094 -4.382 1.00 0.00 N ATOM 20 CA SER A 3 -15.612 -20.494 -4.009 1.00 0.00 C ATOM 21 C SER A 3 -14.565 -20.668 -2.907 1.00 0.00 C ATOM 22 O SER A 3 -13.664 -19.843 -2.766 1.00 0.00 O ATOM 23 CB SER A 3 -15.258 -21.362 -5.219 1.00 0.00 C ATOM 24 OG SER A 3 -13.905 -21.180 -5.629 1.00 0.00 O ATOM 0 H SER A 3 -14.819 -18.613 -4.479 1.00 0.00 H new ATOM 0 HA SER A 3 -16.582 -20.819 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.425 -22.411 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.924 -21.119 -6.047 1.00 0.00 H new ATOM 0 HG SER A 3 -13.718 -21.752 -6.402 1.00 0.00 H new ATOM 30 N GLY A 4 -14.718 -21.748 -2.154 1.00 0.00 N ATOM 31 CA GLY A 4 -13.797 -22.041 -1.069 1.00 0.00 C ATOM 32 C GLY A 4 -14.430 -22.997 -0.056 1.00 0.00 C ATOM 33 O GLY A 4 -15.551 -23.462 -0.253 1.00 0.00 O ATOM 0 H GLY A 4 -15.466 -22.431 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.885 -22.483 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.510 -21.115 -0.571 1.00 0.00 H new ATOM 37 N SER A 5 -13.683 -23.261 1.006 1.00 0.00 N ATOM 38 CA SER A 5 -14.157 -24.153 2.050 1.00 0.00 C ATOM 39 C SER A 5 -13.437 -23.848 3.366 1.00 0.00 C ATOM 40 O SER A 5 -12.308 -23.359 3.361 1.00 0.00 O ATOM 41 CB SER A 5 -13.950 -25.618 1.659 1.00 0.00 C ATOM 42 OG SER A 5 -15.006 -26.105 0.836 1.00 0.00 O ATOM 0 H SER A 5 -12.753 -22.873 1.166 1.00 0.00 H new ATOM 0 HA SER A 5 -15.226 -23.988 2.181 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.002 -25.722 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.882 -26.228 2.560 1.00 0.00 H new ATOM 0 HG SER A 5 -15.403 -25.360 0.338 1.00 0.00 H new ATOM 48 N SER A 6 -14.119 -24.150 4.461 1.00 0.00 N ATOM 49 CA SER A 6 -13.558 -23.915 5.780 1.00 0.00 C ATOM 50 C SER A 6 -13.251 -22.427 5.960 1.00 0.00 C ATOM 51 O SER A 6 -12.325 -21.901 5.344 1.00 0.00 O ATOM 52 CB SER A 6 -12.294 -24.748 5.999 1.00 0.00 C ATOM 53 OG SER A 6 -12.578 -26.143 6.060 1.00 0.00 O ATOM 0 H SER A 6 -15.055 -24.555 4.462 1.00 0.00 H new ATOM 0 HA SER A 6 -14.294 -24.221 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.589 -24.557 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.810 -24.436 6.924 1.00 0.00 H new ATOM 0 HG SER A 6 -11.745 -26.641 6.199 1.00 0.00 H new ATOM 59 N GLY A 7 -14.046 -21.789 6.807 1.00 0.00 N ATOM 60 CA GLY A 7 -13.871 -20.372 7.076 1.00 0.00 C ATOM 61 C GLY A 7 -13.199 -20.150 8.433 1.00 0.00 C ATOM 62 O GLY A 7 -12.796 -21.106 9.093 1.00 0.00 O ATOM 0 H GLY A 7 -14.813 -22.228 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.267 -19.921 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.840 -19.873 7.060 1.00 0.00 H new ATOM 66 N GLY A 8 -13.100 -18.883 8.808 1.00 0.00 N ATOM 67 CA GLY A 8 -12.484 -18.524 10.074 1.00 0.00 C ATOM 68 C GLY A 8 -11.223 -17.687 9.852 1.00 0.00 C ATOM 69 O GLY A 8 -11.305 -16.482 9.619 1.00 0.00 O ATOM 0 H GLY A 8 -13.436 -18.093 8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.194 -17.964 10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.232 -19.428 10.629 1.00 0.00 H new ATOM 73 N GLU A 9 -10.084 -18.360 9.933 1.00 0.00 N ATOM 74 CA GLU A 9 -8.807 -17.694 9.744 1.00 0.00 C ATOM 75 C GLU A 9 -8.426 -17.685 8.262 1.00 0.00 C ATOM 76 O GLU A 9 -8.741 -18.624 7.532 1.00 0.00 O ATOM 77 CB GLU A 9 -7.714 -18.354 10.587 1.00 0.00 C ATOM 78 CG GLU A 9 -7.453 -19.788 10.121 1.00 0.00 C ATOM 79 CD GLU A 9 -7.364 -20.744 11.312 1.00 0.00 C ATOM 80 OE1 GLU A 9 -8.191 -20.579 12.235 1.00 0.00 O ATOM 81 OE2 GLU A 9 -6.471 -21.618 11.274 1.00 0.00 O ATOM 0 H GLU A 9 -10.019 -19.359 10.127 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.905 -16.662 10.080 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.795 -17.772 10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.011 -18.357 11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.252 -20.108 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.525 -19.825 9.550 1.00 0.00 H new ATOM 88 N ARG A 10 -7.755 -16.615 7.862 1.00 0.00 N ATOM 89 CA ARG A 10 -7.328 -16.473 6.481 1.00 0.00 C ATOM 90 C ARG A 10 -6.438 -17.649 6.076 1.00 0.00 C ATOM 91 O ARG A 10 -5.246 -17.662 6.379 1.00 0.00 O ATOM 92 CB ARG A 10 -6.561 -15.165 6.273 1.00 0.00 C ATOM 93 CG ARG A 10 -7.501 -13.961 6.342 1.00 0.00 C ATOM 94 CD ARG A 10 -7.353 -13.078 5.101 1.00 0.00 C ATOM 95 NE ARG A 10 -8.682 -12.593 4.664 1.00 0.00 N ATOM 96 CZ ARG A 10 -9.394 -11.664 5.317 1.00 0.00 C ATOM 97 NH1 ARG A 10 -8.911 -11.116 6.440 1.00 0.00 N ATOM 98 NH2 ARG A 10 -10.590 -11.285 4.847 1.00 0.00 N ATOM 0 H ARG A 10 -7.497 -15.838 8.470 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.222 -16.459 5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.786 -15.069 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.059 -15.184 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.532 -14.304 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.284 -13.377 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.702 -12.232 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.880 -13.642 4.297 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.080 -12.991 3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.001 -11.406 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.453 -10.409 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.958 -11.703 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.132 -10.578 5.343 1.00 0.00 H new ATOM 112 N ARG A 11 -7.050 -18.608 5.397 1.00 0.00 N ATOM 113 CA ARG A 11 -6.328 -19.786 4.948 1.00 0.00 C ATOM 114 C ARG A 11 -6.766 -20.170 3.533 1.00 0.00 C ATOM 115 O ARG A 11 -7.828 -19.752 3.074 1.00 0.00 O ATOM 116 CB ARG A 11 -6.566 -20.970 5.888 1.00 0.00 C ATOM 117 CG ARG A 11 -5.257 -21.705 6.185 1.00 0.00 C ATOM 118 CD ARG A 11 -5.479 -23.218 6.239 1.00 0.00 C ATOM 119 NE ARG A 11 -5.722 -23.644 7.635 1.00 0.00 N ATOM 120 CZ ARG A 11 -4.804 -23.585 8.609 1.00 0.00 C ATOM 121 NH1 ARG A 11 -3.576 -23.117 8.346 1.00 0.00 N ATOM 122 NH2 ARG A 11 -5.113 -23.994 9.847 1.00 0.00 N ATOM 0 H ARG A 11 -8.039 -18.593 5.147 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.265 -19.544 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.008 -20.616 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.280 -21.659 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.521 -21.469 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.849 -21.359 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.329 -23.492 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.608 -23.736 5.838 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.646 -24.005 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.340 -22.805 7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.878 -23.072 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.047 -24.350 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.414 -23.949 10.588 1.00 0.00 H new ATOM 136 N LYS A 12 -5.927 -20.962 2.883 1.00 0.00 N ATOM 137 CA LYS A 12 -6.215 -21.407 1.530 1.00 0.00 C ATOM 138 C LYS A 12 -6.118 -20.217 0.574 1.00 0.00 C ATOM 139 O LYS A 12 -5.215 -20.157 -0.259 1.00 0.00 O ATOM 140 CB LYS A 12 -7.563 -22.129 1.479 1.00 0.00 C ATOM 141 CG LYS A 12 -7.372 -23.646 1.430 1.00 0.00 C ATOM 142 CD LYS A 12 -8.272 -24.345 2.451 1.00 0.00 C ATOM 143 CE LYS A 12 -8.720 -25.715 1.939 1.00 0.00 C ATOM 144 NZ LYS A 12 -10.004 -25.603 1.211 1.00 0.00 N ATOM 0 H LYS A 12 -5.048 -21.307 3.268 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.475 -22.138 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.156 -21.862 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.122 -21.801 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.599 -24.013 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.329 -23.892 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.737 -24.462 3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.145 -23.726 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.957 -26.131 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.829 -26.405 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.293 -26.542 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.733 -25.227 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.889 -24.961 0.401 1.00 0.00 H new ATOM 158 N ASP A 13 -7.061 -19.298 0.726 1.00 0.00 N ATOM 159 CA ASP A 13 -7.093 -18.112 -0.113 1.00 0.00 C ATOM 160 C ASP A 13 -6.211 -17.028 0.509 1.00 0.00 C ATOM 161 O ASP A 13 -6.529 -16.499 1.573 1.00 0.00 O ATOM 162 CB ASP A 13 -8.514 -17.557 -0.227 1.00 0.00 C ATOM 163 CG ASP A 13 -9.002 -17.320 -1.658 1.00 0.00 C ATOM 164 OD1 ASP A 13 -8.273 -16.625 -2.398 1.00 0.00 O ATOM 165 OD2 ASP A 13 -10.093 -17.838 -1.978 1.00 0.00 O ATOM 0 H ASP A 13 -7.809 -19.351 1.418 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.733 -18.390 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.199 -18.248 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.565 -16.615 0.319 1.00 0.00 H new ATOM 170 N ARG A 14 -5.119 -16.731 -0.180 1.00 0.00 N ATOM 171 CA ARG A 14 -4.189 -15.719 0.291 1.00 0.00 C ATOM 172 C ARG A 14 -4.640 -14.330 -0.162 1.00 0.00 C ATOM 173 O ARG A 14 -5.193 -14.177 -1.250 1.00 0.00 O ATOM 174 CB ARG A 14 -2.775 -15.985 -0.231 1.00 0.00 C ATOM 175 CG ARG A 14 -1.826 -16.343 0.914 1.00 0.00 C ATOM 176 CD ARG A 14 -0.775 -17.357 0.458 1.00 0.00 C ATOM 177 NE ARG A 14 0.570 -16.926 0.901 1.00 0.00 N ATOM 178 CZ ARG A 14 1.701 -17.586 0.618 1.00 0.00 C ATOM 179 NH1 ARG A 14 1.657 -18.711 -0.109 1.00 0.00 N ATOM 180 NH2 ARG A 14 2.877 -17.122 1.062 1.00 0.00 N ATOM 0 H ARG A 14 -4.857 -17.174 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.176 -15.762 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.798 -16.798 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.404 -15.103 -0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.333 -15.442 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.395 -16.754 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.004 -18.340 0.869 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.796 -17.452 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 14 0.640 -16.073 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.762 -19.065 -0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.518 -19.213 -0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.911 -16.266 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.738 -17.625 0.846 1.00 0.00 H new ATOM 194 N PRO A 15 -4.380 -13.325 0.717 1.00 0.00 N ATOM 195 CA PRO A 15 -4.754 -11.953 0.418 1.00 0.00 C ATOM 196 C PRO A 15 -3.807 -11.340 -0.615 1.00 0.00 C ATOM 197 O PRO A 15 -4.128 -10.326 -1.232 1.00 0.00 O ATOM 198 CB PRO A 15 -4.718 -11.235 1.757 1.00 0.00 C ATOM 199 CG PRO A 15 -3.881 -12.109 2.676 1.00 0.00 C ATOM 200 CD PRO A 15 -3.727 -13.469 2.015 1.00 0.00 C ATOM 0 HA PRO A 15 -5.743 -11.875 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.280 -10.242 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.724 -11.100 2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.905 -11.656 2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.362 -12.210 3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.677 -13.738 1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.195 -14.254 2.609 1.00 0.00 H new ATOM 208 N TYR A 16 -2.658 -11.981 -0.772 1.00 0.00 N ATOM 209 CA TYR A 16 -1.662 -11.512 -1.720 1.00 0.00 C ATOM 210 C TYR A 16 -1.053 -10.184 -1.263 1.00 0.00 C ATOM 211 O TYR A 16 0.148 -10.102 -1.013 1.00 0.00 O ATOM 212 CB TYR A 16 -2.405 -11.291 -3.038 1.00 0.00 C ATOM 213 CG TYR A 16 -3.491 -12.331 -3.322 1.00 0.00 C ATOM 214 CD1 TYR A 16 -3.165 -13.671 -3.379 1.00 0.00 C ATOM 215 CD2 TYR A 16 -4.796 -11.930 -3.521 1.00 0.00 C ATOM 216 CE1 TYR A 16 -4.187 -14.650 -3.646 1.00 0.00 C ATOM 217 CE2 TYR A 16 -5.818 -12.908 -3.788 1.00 0.00 C ATOM 218 CZ TYR A 16 -5.463 -14.220 -3.838 1.00 0.00 C ATOM 219 OH TYR A 16 -6.428 -15.145 -4.090 1.00 0.00 O ATOM 0 H TYR A 16 -2.395 -12.822 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.851 -12.234 -1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.859 -10.300 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.684 -11.301 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.144 -13.985 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.051 -10.881 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.946 -15.702 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.843 -12.607 -3.945 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.867 -15.397 -3.251 1.00 0.00 H new ATOM 229 N VAL A 17 -1.910 -9.179 -1.168 1.00 0.00 N ATOM 230 CA VAL A 17 -1.472 -7.859 -0.745 1.00 0.00 C ATOM 231 C VAL A 17 -2.571 -7.207 0.097 1.00 0.00 C ATOM 232 O VAL A 17 -3.744 -7.241 -0.272 1.00 0.00 O ATOM 233 CB VAL A 17 -1.079 -7.023 -1.965 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.288 -6.770 -2.869 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.427 -5.706 -1.540 1.00 0.00 C ATOM 0 H VAL A 17 -2.906 -9.251 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.583 -7.934 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.345 -7.590 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.981 -6.174 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.691 -7.723 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.054 -6.233 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.157 -5.131 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.128 -5.132 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.470 -5.916 -0.957 1.00 0.00 H new ATOM 245 N GLU A 18 -2.151 -6.629 1.213 1.00 0.00 N ATOM 246 CA GLU A 18 -3.085 -5.971 2.111 1.00 0.00 C ATOM 247 C GLU A 18 -4.119 -5.176 1.312 1.00 0.00 C ATOM 248 O GLU A 18 -3.801 -4.134 0.741 1.00 0.00 O ATOM 249 CB GLU A 18 -2.347 -5.069 3.103 1.00 0.00 C ATOM 250 CG GLU A 18 -1.143 -5.791 3.710 1.00 0.00 C ATOM 251 CD GLU A 18 -0.922 -5.363 5.163 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.838 -4.136 5.386 1.00 0.00 O ATOM 253 OE2 GLU A 18 -0.842 -6.272 6.017 1.00 0.00 O ATOM 0 H GLU A 18 -1.177 -6.603 1.516 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.608 -6.736 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.015 -4.162 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.028 -4.761 3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.300 -6.869 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.250 -5.574 3.123 1.00 0.00 H new ATOM 260 N GLU A 19 -5.337 -5.699 1.297 1.00 0.00 N ATOM 261 CA GLU A 19 -6.420 -5.051 0.577 1.00 0.00 C ATOM 262 C GLU A 19 -6.311 -3.530 0.709 1.00 0.00 C ATOM 263 O GLU A 19 -5.714 -3.028 1.659 1.00 0.00 O ATOM 264 CB GLU A 19 -7.780 -5.547 1.070 1.00 0.00 C ATOM 265 CG GLU A 19 -7.967 -7.034 0.760 1.00 0.00 C ATOM 266 CD GLU A 19 -8.328 -7.817 2.024 1.00 0.00 C ATOM 267 OE1 GLU A 19 -9.309 -7.409 2.683 1.00 0.00 O ATOM 268 OE2 GLU A 19 -7.616 -8.806 2.302 1.00 0.00 O ATOM 0 H GLU A 19 -5.597 -6.563 1.772 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.335 -5.312 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.863 -5.383 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.575 -4.970 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.753 -7.158 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.051 -7.437 0.328 1.00 0.00 H new ATOM 275 N PRO A 20 -6.912 -2.822 -0.285 1.00 0.00 N ATOM 276 CA PRO A 20 -6.888 -1.370 -0.288 1.00 0.00 C ATOM 277 C PRO A 20 -7.858 -0.802 0.750 1.00 0.00 C ATOM 278 O PRO A 20 -9.017 -1.210 0.810 1.00 0.00 O ATOM 279 CB PRO A 20 -7.244 -0.974 -1.712 1.00 0.00 C ATOM 280 CG PRO A 20 -7.906 -2.195 -2.331 1.00 0.00 C ATOM 281 CD PRO A 20 -7.628 -3.384 -1.426 1.00 0.00 C ATOM 0 HA PRO A 20 -5.916 -0.965 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.918 -0.117 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.354 -0.686 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.979 -2.036 -2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.513 -2.376 -3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.553 -3.868 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.030 -4.139 -1.936 1.00 0.00 H new ATOM 289 N ARG A 21 -7.347 0.129 1.543 1.00 0.00 N ATOM 290 CA ARG A 21 -8.154 0.756 2.576 1.00 0.00 C ATOM 291 C ARG A 21 -8.537 2.178 2.160 1.00 0.00 C ATOM 292 O ARG A 21 -8.011 2.705 1.181 1.00 0.00 O ATOM 293 CB ARG A 21 -7.402 0.807 3.907 1.00 0.00 C ATOM 294 CG ARG A 21 -6.345 1.914 3.898 1.00 0.00 C ATOM 295 CD ARG A 21 -5.339 1.720 5.034 1.00 0.00 C ATOM 296 NE ARG A 21 -5.693 2.591 6.178 1.00 0.00 N ATOM 297 CZ ARG A 21 -4.969 2.687 7.301 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.847 1.967 7.439 1.00 0.00 N ATOM 299 NH2 ARG A 21 -5.367 3.503 8.287 1.00 0.00 N ATOM 0 H ARG A 21 -6.385 0.464 1.491 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.055 0.156 2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.107 0.979 4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.925 -0.155 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.823 1.915 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.829 2.885 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.331 0.677 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.334 1.955 4.685 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.541 3.153 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.544 1.346 6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.296 2.040 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.221 4.051 8.182 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.816 3.576 9.142 1.00 0.00 H new ATOM 313 N HIS A 22 -9.450 2.758 2.925 1.00 0.00 N ATOM 314 CA HIS A 22 -9.910 4.108 2.648 1.00 0.00 C ATOM 315 C HIS A 22 -9.581 5.016 3.835 1.00 0.00 C ATOM 316 O HIS A 22 -10.208 4.919 4.888 1.00 0.00 O ATOM 317 CB HIS A 22 -11.398 4.113 2.293 1.00 0.00 C ATOM 318 CG HIS A 22 -11.755 3.220 1.129 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.303 1.917 1.017 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.525 3.456 0.028 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.784 1.402 -0.104 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.541 2.357 -0.717 1.00 0.00 N ATOM 0 H HIS A 22 -9.884 2.318 3.737 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.387 4.502 1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.970 3.800 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.702 5.134 2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.035 4.380 -0.199 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.608 0.401 -0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.037 2.245 -1.601 1.00 0.00 H new ATOM 330 N VAL A 23 -8.596 5.878 3.624 1.00 0.00 N ATOM 331 CA VAL A 23 -8.176 6.802 4.663 1.00 0.00 C ATOM 332 C VAL A 23 -8.904 8.135 4.480 1.00 0.00 C ATOM 333 O VAL A 23 -8.776 8.778 3.439 1.00 0.00 O ATOM 334 CB VAL A 23 -6.653 6.946 4.651 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.198 8.051 5.607 1.00 0.00 C ATOM 336 CG2 VAL A 23 -5.973 5.617 4.986 1.00 0.00 C ATOM 0 H VAL A 23 -8.077 5.955 2.749 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.445 6.418 5.647 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.353 7.231 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.111 8.132 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.641 9.000 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.518 7.809 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.891 5.748 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.285 5.289 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.258 4.866 4.249 1.00 0.00 H new ATOM 346 N LYS A 24 -9.653 8.510 5.506 1.00 0.00 N ATOM 347 CA LYS A 24 -10.401 9.755 5.471 1.00 0.00 C ATOM 348 C LYS A 24 -9.476 10.913 5.851 1.00 0.00 C ATOM 349 O LYS A 24 -8.490 10.717 6.560 1.00 0.00 O ATOM 350 CB LYS A 24 -11.651 9.653 6.347 1.00 0.00 C ATOM 351 CG LYS A 24 -12.922 9.668 5.494 1.00 0.00 C ATOM 352 CD LYS A 24 -13.620 11.028 5.574 1.00 0.00 C ATOM 353 CE LYS A 24 -15.126 10.884 5.346 1.00 0.00 C ATOM 354 NZ LYS A 24 -15.536 11.609 4.123 1.00 0.00 N ATOM 0 H LYS A 24 -9.758 7.973 6.367 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.762 9.954 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.614 8.736 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.673 10.483 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.671 9.444 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.601 8.886 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.437 11.478 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.198 11.702 4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.387 9.830 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.669 11.274 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.561 11.501 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.304 12.618 4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.031 11.218 3.302 1.00 0.00 H new ATOM 368 N VAL A 25 -9.827 12.093 5.363 1.00 0.00 N ATOM 369 CA VAL A 25 -9.040 13.283 5.643 1.00 0.00 C ATOM 370 C VAL A 25 -9.976 14.428 6.035 1.00 0.00 C ATOM 371 O VAL A 25 -11.009 14.634 5.399 1.00 0.00 O ATOM 372 CB VAL A 25 -8.154 13.619 4.442 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.202 14.771 4.768 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.382 12.386 3.968 1.00 0.00 C ATOM 0 H VAL A 25 -10.646 12.251 4.775 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.370 13.108 6.485 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.802 13.941 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.584 14.990 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.780 15.656 5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.563 14.489 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.760 12.652 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.750 12.019 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.085 11.606 3.676 1.00 0.00 H new ATOM 384 N GLN A 26 -9.581 15.142 7.079 1.00 0.00 N ATOM 385 CA GLN A 26 -10.372 16.261 7.562 1.00 0.00 C ATOM 386 C GLN A 26 -9.628 17.577 7.328 1.00 0.00 C ATOM 387 O GLN A 26 -9.126 18.187 8.270 1.00 0.00 O ATOM 388 CB GLN A 26 -10.723 16.085 9.041 1.00 0.00 C ATOM 389 CG GLN A 26 -12.207 15.757 9.217 1.00 0.00 C ATOM 390 CD GLN A 26 -12.751 16.358 10.515 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.702 17.555 10.743 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.271 15.462 11.349 1.00 0.00 N ATOM 0 H GLN A 26 -8.724 14.967 7.604 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.306 16.290 7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.117 15.287 9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.481 16.997 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.772 16.143 8.368 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.346 14.676 9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.280 14.474 11.095 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.661 15.763 12.242 1.00 0.00 H new ATOM 401 N LYS A 27 -9.582 17.977 6.065 1.00 0.00 N ATOM 402 CA LYS A 27 -8.908 19.209 5.695 1.00 0.00 C ATOM 403 C LYS A 27 -9.631 20.394 6.339 1.00 0.00 C ATOM 404 O LYS A 27 -9.446 20.669 7.524 1.00 0.00 O ATOM 405 CB LYS A 27 -8.786 19.317 4.173 1.00 0.00 C ATOM 406 CG LYS A 27 -7.481 18.688 3.682 1.00 0.00 C ATOM 407 CD LYS A 27 -7.672 18.025 2.316 1.00 0.00 C ATOM 408 CE LYS A 27 -6.388 18.099 1.487 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.534 17.323 0.235 1.00 0.00 N ATOM 0 H LYS A 27 -10.001 17.469 5.286 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.886 19.213 6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.634 18.821 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.824 20.365 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.707 19.453 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.135 17.948 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.963 16.983 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.484 18.516 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.159 19.139 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.551 17.711 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.793 17.607 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.443 16.308 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.469 17.508 -0.181 1.00 0.00 H new ATOM 423 N GLY A 28 -10.440 21.063 5.531 1.00 0.00 N ATOM 424 CA GLY A 28 -11.191 22.212 6.007 1.00 0.00 C ATOM 425 C GLY A 28 -10.736 23.494 5.307 1.00 0.00 C ATOM 426 O GLY A 28 -11.470 24.056 4.496 1.00 0.00 O ATOM 0 H GLY A 28 -10.592 20.831 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.255 22.054 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.060 22.316 7.084 1.00 0.00 H new ATOM 430 N SER A 29 -9.528 23.918 5.646 1.00 0.00 N ATOM 431 CA SER A 29 -8.966 25.123 5.059 1.00 0.00 C ATOM 432 C SER A 29 -7.444 25.001 4.969 1.00 0.00 C ATOM 433 O SER A 29 -6.730 25.996 5.087 1.00 0.00 O ATOM 434 CB SER A 29 -9.352 26.362 5.870 1.00 0.00 C ATOM 435 OG SER A 29 -10.409 27.095 5.255 1.00 0.00 O ATOM 0 H SER A 29 -8.922 23.449 6.320 1.00 0.00 H new ATOM 0 HA SER A 29 -9.375 25.237 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.656 26.059 6.872 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.481 27.007 5.983 1.00 0.00 H new ATOM 0 HG SER A 29 -10.627 27.877 5.804 1.00 0.00 H new ATOM 441 N GLU A 30 -6.992 23.773 4.761 1.00 0.00 N ATOM 442 CA GLU A 30 -5.567 23.508 4.654 1.00 0.00 C ATOM 443 C GLU A 30 -5.311 22.380 3.653 1.00 0.00 C ATOM 444 O GLU A 30 -6.200 21.574 3.380 1.00 0.00 O ATOM 445 CB GLU A 30 -4.967 23.175 6.021 1.00 0.00 C ATOM 446 CG GLU A 30 -4.540 24.447 6.757 1.00 0.00 C ATOM 447 CD GLU A 30 -3.033 24.676 6.626 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.282 23.835 7.166 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.666 25.687 5.988 1.00 0.00 O ATOM 0 H GLU A 30 -7.587 22.950 4.664 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.076 24.410 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.698 22.632 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.107 22.518 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.078 25.304 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.810 24.370 7.810 1.00 0.00 H new ATOM 456 N PRO A 31 -4.061 22.357 3.119 1.00 0.00 N ATOM 457 CA PRO A 31 -3.676 21.341 2.155 1.00 0.00 C ATOM 458 C PRO A 31 -3.445 19.993 2.841 1.00 0.00 C ATOM 459 O PRO A 31 -3.509 19.897 4.066 1.00 0.00 O ATOM 460 CB PRO A 31 -2.427 21.887 1.484 1.00 0.00 C ATOM 461 CG PRO A 31 -1.893 22.966 2.412 1.00 0.00 C ATOM 462 CD PRO A 31 -2.983 23.295 3.419 1.00 0.00 C ATOM 0 HA PRO A 31 -4.455 21.145 1.418 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.688 21.100 1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.659 22.297 0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.994 22.620 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.616 23.855 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.626 23.174 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.317 24.328 3.318 1.00 0.00 H new ATOM 470 N LEU A 32 -3.182 18.985 2.022 1.00 0.00 N ATOM 471 CA LEU A 32 -2.941 17.647 2.535 1.00 0.00 C ATOM 472 C LEU A 32 -1.539 17.584 3.144 1.00 0.00 C ATOM 473 O LEU A 32 -1.377 17.194 4.300 1.00 0.00 O ATOM 474 CB LEU A 32 -3.185 16.603 1.444 1.00 0.00 C ATOM 475 CG LEU A 32 -3.383 15.164 1.925 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.448 15.094 3.021 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.704 14.234 0.753 1.00 0.00 C ATOM 0 H LEU A 32 -3.131 19.068 1.007 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.646 17.412 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.066 16.900 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.340 16.622 0.755 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.447 14.818 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.569 14.060 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.139 15.706 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.396 15.466 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.840 13.217 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.619 14.568 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.882 14.253 0.037 1.00 0.00 H new ATOM 489 N GLY A 33 -0.561 17.974 2.340 1.00 0.00 N ATOM 490 CA GLY A 33 0.822 17.967 2.786 1.00 0.00 C ATOM 491 C GLY A 33 1.438 16.574 2.638 1.00 0.00 C ATOM 492 O GLY A 33 1.796 15.941 3.630 1.00 0.00 O ATOM 0 H GLY A 33 -0.699 18.297 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.399 18.687 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.874 18.283 3.828 1.00 0.00 H new ATOM 496 N ILE A 34 1.543 16.137 1.391 1.00 0.00 N ATOM 497 CA ILE A 34 2.110 14.831 1.101 1.00 0.00 C ATOM 498 C ILE A 34 2.836 14.883 -0.245 1.00 0.00 C ATOM 499 O ILE A 34 2.411 15.591 -1.156 1.00 0.00 O ATOM 500 CB ILE A 34 1.030 13.750 1.176 1.00 0.00 C ATOM 501 CG1 ILE A 34 -0.204 14.150 0.365 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.680 13.425 2.630 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.693 12.986 -0.500 1.00 0.00 C ATOM 0 H ILE A 34 1.245 16.664 0.570 1.00 0.00 H new ATOM 0 HA ILE A 34 2.851 14.561 1.853 1.00 0.00 H new ATOM 0 HB ILE A 34 1.427 12.839 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.000 14.466 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.034 15.004 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.090 12.654 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.570 13.066 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.310 14.323 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.571 13.297 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.097 12.688 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.954 12.142 0.139 1.00 0.00 H new ATOM 515 N SER A 35 3.919 14.124 -0.326 1.00 0.00 N ATOM 516 CA SER A 35 4.708 14.074 -1.545 1.00 0.00 C ATOM 517 C SER A 35 4.335 12.834 -2.360 1.00 0.00 C ATOM 518 O SER A 35 4.068 11.773 -1.796 1.00 0.00 O ATOM 519 CB SER A 35 6.205 14.073 -1.233 1.00 0.00 C ATOM 520 OG SER A 35 6.987 14.446 -2.364 1.00 0.00 O ATOM 0 H SER A 35 4.269 13.539 0.433 1.00 0.00 H new ATOM 0 HA SER A 35 4.487 14.966 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.404 14.761 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.504 13.080 -0.897 1.00 0.00 H new ATOM 0 HG SER A 35 7.689 13.779 -2.511 1.00 0.00 H new ATOM 526 N ILE A 36 4.328 13.007 -3.673 1.00 0.00 N ATOM 527 CA ILE A 36 3.992 11.915 -4.571 1.00 0.00 C ATOM 528 C ILE A 36 5.036 11.839 -5.687 1.00 0.00 C ATOM 529 O ILE A 36 5.748 12.809 -5.943 1.00 0.00 O ATOM 530 CB ILE A 36 2.557 12.062 -5.080 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.393 13.346 -5.896 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.555 11.984 -3.926 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.636 13.085 -7.384 1.00 0.00 C ATOM 0 H ILE A 36 4.550 13.888 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 36 4.021 10.963 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 36 2.345 11.227 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.389 13.747 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.092 14.101 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.543 12.091 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.651 11.021 -3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.757 12.784 -3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.513 14.014 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.649 12.708 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.920 12.347 -7.746 1.00 0.00 H new ATOM 545 N VAL A 37 5.093 10.677 -6.322 1.00 0.00 N ATOM 546 CA VAL A 37 6.038 10.462 -7.404 1.00 0.00 C ATOM 547 C VAL A 37 5.457 9.443 -8.387 1.00 0.00 C ATOM 548 O VAL A 37 4.716 8.545 -7.990 1.00 0.00 O ATOM 549 CB VAL A 37 7.395 10.040 -6.838 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.784 10.909 -5.641 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.396 8.557 -6.463 1.00 0.00 C ATOM 0 H VAL A 37 4.500 9.875 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 37 6.205 11.388 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 37 8.143 10.188 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.753 10.588 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.845 11.952 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.032 10.808 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.372 8.283 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.631 8.372 -5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.186 7.958 -7.349 1.00 0.00 H new ATOM 561 N SER A 38 5.815 9.617 -9.651 1.00 0.00 N ATOM 562 CA SER A 38 5.338 8.724 -10.693 1.00 0.00 C ATOM 563 C SER A 38 6.419 7.695 -11.035 1.00 0.00 C ATOM 564 O SER A 38 7.610 7.987 -10.942 1.00 0.00 O ATOM 565 CB SER A 38 4.934 9.505 -11.945 1.00 0.00 C ATOM 566 OG SER A 38 4.528 8.642 -13.004 1.00 0.00 O ATOM 0 H SER A 38 6.430 10.363 -9.977 1.00 0.00 H new ATOM 0 HA SER A 38 4.455 8.205 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.119 10.187 -11.700 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.773 10.117 -12.277 1.00 0.00 H new ATOM 0 HG SER A 38 4.276 9.178 -13.785 1.00 0.00 H new ATOM 572 N GLY A 39 5.963 6.513 -11.423 1.00 0.00 N ATOM 573 CA GLY A 39 6.876 5.440 -11.780 1.00 0.00 C ATOM 574 C GLY A 39 6.590 4.924 -13.191 1.00 0.00 C ATOM 575 O GLY A 39 5.453 4.975 -13.657 1.00 0.00 O ATOM 0 H GLY A 39 4.974 6.275 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.904 5.798 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.781 4.624 -11.064 1.00 0.00 H new ATOM 579 N GLU A 40 7.643 4.438 -13.833 1.00 0.00 N ATOM 580 CA GLU A 40 7.520 3.912 -15.182 1.00 0.00 C ATOM 581 C GLU A 40 6.536 2.740 -15.208 1.00 0.00 C ATOM 582 O GLU A 40 6.034 2.370 -16.268 1.00 0.00 O ATOM 583 CB GLU A 40 8.884 3.495 -15.735 1.00 0.00 C ATOM 584 CG GLU A 40 9.458 2.316 -14.947 1.00 0.00 C ATOM 585 CD GLU A 40 10.759 1.816 -15.577 1.00 0.00 C ATOM 586 OE1 GLU A 40 11.817 2.373 -15.212 1.00 0.00 O ATOM 587 OE2 GLU A 40 10.667 0.889 -16.410 1.00 0.00 O ATOM 0 H GLU A 40 8.585 4.398 -13.444 1.00 0.00 H new ATOM 0 HA GLU A 40 7.131 4.702 -15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.786 3.222 -16.786 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.573 4.338 -15.688 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.642 2.618 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.730 1.506 -14.916 1.00 0.00 H new ATOM 594 N LYS A 41 6.291 2.189 -14.028 1.00 0.00 N ATOM 595 CA LYS A 41 5.377 1.067 -13.902 1.00 0.00 C ATOM 596 C LYS A 41 3.940 1.564 -14.069 1.00 0.00 C ATOM 597 O LYS A 41 3.120 0.904 -14.705 1.00 0.00 O ATOM 598 CB LYS A 41 5.621 0.322 -12.588 1.00 0.00 C ATOM 599 CG LYS A 41 5.564 -1.193 -12.798 1.00 0.00 C ATOM 600 CD LYS A 41 4.218 -1.759 -12.344 1.00 0.00 C ATOM 601 CE LYS A 41 4.404 -2.787 -11.226 1.00 0.00 C ATOM 602 NZ LYS A 41 3.225 -3.677 -11.138 1.00 0.00 N ATOM 0 H LYS A 41 6.710 2.499 -13.151 1.00 0.00 H new ATOM 0 HA LYS A 41 5.557 0.339 -14.693 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.594 0.600 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.873 0.619 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.723 -1.424 -13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.370 -1.671 -12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.578 -0.949 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.711 -2.224 -13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.300 -3.378 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.553 -2.276 -10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.368 -4.368 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.376 -3.110 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.101 -4.179 -12.040 1.00 0.00 H new ATOM 616 N GLY A 42 3.678 2.725 -13.486 1.00 0.00 N ATOM 617 CA GLY A 42 2.353 3.318 -13.562 1.00 0.00 C ATOM 618 C GLY A 42 1.731 3.449 -12.170 1.00 0.00 C ATOM 619 O GLY A 42 1.800 2.522 -11.365 1.00 0.00 O ATOM 0 H GLY A 42 4.360 3.271 -12.959 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.417 4.300 -14.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.712 2.704 -14.195 1.00 0.00 H new ATOM 623 N GLY A 43 1.136 4.608 -11.930 1.00 0.00 N ATOM 624 CA GLY A 43 0.501 4.873 -10.650 1.00 0.00 C ATOM 625 C GLY A 43 1.212 6.007 -9.909 1.00 0.00 C ATOM 626 O GLY A 43 2.142 6.613 -10.439 1.00 0.00 O ATOM 0 H GLY A 43 1.080 5.375 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.545 5.136 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.515 3.970 -10.039 1.00 0.00 H new ATOM 630 N ILE A 44 0.748 6.259 -8.694 1.00 0.00 N ATOM 631 CA ILE A 44 1.329 7.309 -7.875 1.00 0.00 C ATOM 632 C ILE A 44 1.714 6.732 -6.511 1.00 0.00 C ATOM 633 O ILE A 44 0.924 6.026 -5.886 1.00 0.00 O ATOM 634 CB ILE A 44 0.381 8.508 -7.789 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.109 9.091 -9.177 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.917 9.562 -6.819 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.318 9.876 -9.689 1.00 0.00 C ATOM 0 H ILE A 44 -0.023 5.754 -8.257 1.00 0.00 H new ATOM 0 HA ILE A 44 2.244 7.686 -8.332 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.573 8.162 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.128 8.286 -9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.763 9.744 -9.136 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.225 10.403 -6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.018 9.125 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.891 9.911 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.098 10.280 -10.677 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.537 10.695 -9.003 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.182 9.214 -9.752 1.00 0.00 H new ATOM 649 N TYR A 45 2.928 7.054 -6.090 1.00 0.00 N ATOM 650 CA TYR A 45 3.428 6.577 -4.812 1.00 0.00 C ATOM 651 C TYR A 45 3.768 7.746 -3.885 1.00 0.00 C ATOM 652 O TYR A 45 4.198 8.803 -4.344 1.00 0.00 O ATOM 653 CB TYR A 45 4.709 5.800 -5.124 1.00 0.00 C ATOM 654 CG TYR A 45 4.498 4.600 -6.050 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.191 3.364 -5.519 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.616 4.754 -7.416 1.00 0.00 C ATOM 657 CE1 TYR A 45 3.993 2.235 -6.390 1.00 0.00 C ATOM 658 CE2 TYR A 45 4.418 3.625 -8.288 1.00 0.00 C ATOM 659 CZ TYR A 45 4.116 2.421 -7.732 1.00 0.00 C ATOM 660 OH TYR A 45 3.929 1.355 -8.555 1.00 0.00 O ATOM 0 H TYR A 45 3.580 7.640 -6.611 1.00 0.00 H new ATOM 0 HA TYR A 45 2.678 5.964 -4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.430 6.477 -5.582 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.148 5.452 -4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.099 3.244 -4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.857 5.721 -7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.752 1.262 -5.987 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.507 3.732 -9.359 1.00 0.00 H new ATOM 0 HH TYR A 45 4.047 1.636 -9.486 1.00 0.00 H new ATOM 670 N VAL A 46 3.564 7.516 -2.596 1.00 0.00 N ATOM 671 CA VAL A 46 3.843 8.537 -1.600 1.00 0.00 C ATOM 672 C VAL A 46 5.354 8.626 -1.379 1.00 0.00 C ATOM 673 O VAL A 46 5.992 7.639 -1.015 1.00 0.00 O ATOM 674 CB VAL A 46 3.067 8.241 -0.316 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.497 9.179 0.814 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.558 8.326 -0.554 1.00 0.00 C ATOM 0 H VAL A 46 3.209 6.638 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 46 3.507 9.514 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 46 3.301 7.221 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.930 8.947 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.561 9.047 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.307 10.212 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.030 8.111 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.299 9.329 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.268 7.599 -1.312 1.00 0.00 H new ATOM 686 N SER A 47 5.884 9.819 -1.607 1.00 0.00 N ATOM 687 CA SER A 47 7.308 10.050 -1.436 1.00 0.00 C ATOM 688 C SER A 47 7.586 10.597 -0.035 1.00 0.00 C ATOM 689 O SER A 47 8.715 10.532 0.448 1.00 0.00 O ATOM 690 CB SER A 47 7.840 11.016 -2.497 1.00 0.00 C ATOM 691 OG SER A 47 8.836 11.890 -1.972 1.00 0.00 O ATOM 0 H SER A 47 5.353 10.636 -1.909 1.00 0.00 H new ATOM 0 HA SER A 47 7.825 9.098 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.258 10.448 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.015 11.605 -2.897 1.00 0.00 H new ATOM 0 HG SER A 47 9.185 12.457 -2.691 1.00 0.00 H new ATOM 697 N LYS A 48 6.536 11.122 0.580 1.00 0.00 N ATOM 698 CA LYS A 48 6.653 11.679 1.916 1.00 0.00 C ATOM 699 C LYS A 48 5.284 12.188 2.374 1.00 0.00 C ATOM 700 O LYS A 48 4.349 12.265 1.578 1.00 0.00 O ATOM 701 CB LYS A 48 7.750 12.745 1.959 1.00 0.00 C ATOM 702 CG LYS A 48 8.508 12.698 3.287 1.00 0.00 C ATOM 703 CD LYS A 48 8.128 13.882 4.178 1.00 0.00 C ATOM 704 CE LYS A 48 9.238 14.935 4.195 1.00 0.00 C ATOM 705 NZ LYS A 48 8.686 16.274 3.892 1.00 0.00 N ATOM 0 H LYS A 48 5.600 11.173 0.177 1.00 0.00 H new ATOM 0 HA LYS A 48 6.961 10.909 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.445 12.590 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.308 13.732 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.286 11.764 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.581 12.711 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.202 14.330 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.939 13.532 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.721 14.947 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.004 14.677 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.452 16.977 3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.245 16.263 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.972 16.525 4.605 1.00 0.00 H new ATOM 719 N VAL A 49 5.209 12.521 3.654 1.00 0.00 N ATOM 720 CA VAL A 49 3.970 13.019 4.226 1.00 0.00 C ATOM 721 C VAL A 49 4.293 13.991 5.363 1.00 0.00 C ATOM 722 O VAL A 49 4.650 13.569 6.462 1.00 0.00 O ATOM 723 CB VAL A 49 3.091 11.849 4.672 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.887 10.860 5.526 1.00 0.00 C ATOM 725 CG2 VAL A 49 1.853 12.347 5.420 1.00 0.00 C ATOM 0 H VAL A 49 5.986 12.456 4.311 1.00 0.00 H new ATOM 0 HA VAL A 49 3.399 13.570 3.479 1.00 0.00 H new ATOM 0 HB VAL A 49 2.753 11.324 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.239 10.038 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.722 10.468 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.268 11.368 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.246 11.495 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.162 12.908 6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.268 12.993 4.766 1.00 0.00 H new ATOM 735 N THR A 50 4.157 15.273 5.059 1.00 0.00 N ATOM 736 CA THR A 50 4.431 16.308 6.042 1.00 0.00 C ATOM 737 C THR A 50 3.939 15.874 7.425 1.00 0.00 C ATOM 738 O THR A 50 2.890 15.243 7.545 1.00 0.00 O ATOM 739 CB THR A 50 3.790 17.608 5.551 1.00 0.00 C ATOM 740 OG1 THR A 50 4.423 17.855 4.298 1.00 0.00 O ATOM 741 CG2 THR A 50 4.179 18.813 6.409 1.00 0.00 C ATOM 0 H THR A 50 3.861 15.619 4.146 1.00 0.00 H new ATOM 0 HA THR A 50 5.502 16.477 6.150 1.00 0.00 H new ATOM 0 HB THR A 50 2.705 17.500 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.065 18.680 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.697 19.709 6.017 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.856 18.647 7.437 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.261 18.943 6.385 1.00 0.00 H new ATOM 749 N VAL A 51 4.722 16.229 8.434 1.00 0.00 N ATOM 750 CA VAL A 51 4.379 15.883 9.803 1.00 0.00 C ATOM 751 C VAL A 51 3.595 17.036 10.434 1.00 0.00 C ATOM 752 O VAL A 51 4.046 18.180 10.418 1.00 0.00 O ATOM 753 CB VAL A 51 5.645 15.523 10.583 1.00 0.00 C ATOM 754 CG1 VAL A 51 5.340 15.352 12.073 1.00 0.00 C ATOM 755 CG2 VAL A 51 6.304 14.267 10.010 1.00 0.00 C ATOM 0 H VAL A 51 5.592 16.752 8.331 1.00 0.00 H new ATOM 0 HA VAL A 51 3.737 15.002 9.826 1.00 0.00 H new ATOM 0 HB VAL A 51 6.350 16.348 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.256 15.096 12.605 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.937 16.283 12.471 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.609 14.554 12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.201 14.033 10.583 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.607 13.431 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.573 14.441 8.968 1.00 0.00 H new ATOM 765 N GLY A 52 2.436 16.693 10.976 1.00 0.00 N ATOM 766 CA GLY A 52 1.585 17.685 11.611 1.00 0.00 C ATOM 767 C GLY A 52 0.572 18.256 10.617 1.00 0.00 C ATOM 768 O GLY A 52 -0.299 19.040 10.993 1.00 0.00 O ATOM 0 H GLY A 52 2.066 15.742 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.059 17.233 12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.198 18.491 12.014 1.00 0.00 H new ATOM 772 N SER A 53 0.719 17.842 9.367 1.00 0.00 N ATOM 773 CA SER A 53 -0.172 18.303 8.316 1.00 0.00 C ATOM 774 C SER A 53 -1.414 17.411 8.255 1.00 0.00 C ATOM 775 O SER A 53 -1.445 16.341 8.861 1.00 0.00 O ATOM 776 CB SER A 53 0.537 18.319 6.960 1.00 0.00 C ATOM 777 OG SER A 53 0.782 19.645 6.502 1.00 0.00 O ATOM 0 H SER A 53 1.442 17.192 9.058 1.00 0.00 H new ATOM 0 HA SER A 53 -0.476 19.324 8.548 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.482 17.782 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.071 17.789 6.227 1.00 0.00 H new ATOM 0 HG SER A 53 1.237 19.613 5.635 1.00 0.00 H new ATOM 783 N ILE A 54 -2.408 17.885 7.518 1.00 0.00 N ATOM 784 CA ILE A 54 -3.649 17.144 7.370 1.00 0.00 C ATOM 785 C ILE A 54 -3.336 15.651 7.250 1.00 0.00 C ATOM 786 O ILE A 54 -3.710 14.864 8.118 1.00 0.00 O ATOM 787 CB ILE A 54 -4.466 17.696 6.200 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.858 19.155 6.445 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.685 16.815 5.918 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.725 19.287 7.698 1.00 0.00 C ATOM 0 H ILE A 54 -2.379 18.773 7.017 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.275 17.269 8.254 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.841 17.676 5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.960 19.763 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.400 19.540 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.248 17.230 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.355 15.807 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.321 16.780 6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.989 20.334 7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.633 18.697 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.171 18.924 8.564 1.00 0.00 H new ATOM 802 N ALA A 55 -2.653 15.307 6.169 1.00 0.00 N ATOM 803 CA ALA A 55 -2.285 13.923 5.925 1.00 0.00 C ATOM 804 C ALA A 55 -1.907 13.259 7.251 1.00 0.00 C ATOM 805 O ALA A 55 -2.587 12.341 7.705 1.00 0.00 O ATOM 806 CB ALA A 55 -1.149 13.869 4.901 1.00 0.00 C ATOM 0 H ALA A 55 -2.344 15.963 5.452 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.126 13.370 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.873 12.830 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.478 14.327 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.286 14.411 5.286 1.00 0.00 H new ATOM 812 N HIS A 56 -0.823 13.750 7.833 1.00 0.00 N ATOM 813 CA HIS A 56 -0.346 13.216 9.098 1.00 0.00 C ATOM 814 C HIS A 56 -1.538 12.885 9.997 1.00 0.00 C ATOM 815 O HIS A 56 -1.643 11.772 10.511 1.00 0.00 O ATOM 816 CB HIS A 56 0.644 14.179 9.756 1.00 0.00 C ATOM 817 CG HIS A 56 1.726 13.496 10.557 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.790 13.560 11.938 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.784 12.733 10.158 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.843 12.865 12.341 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.458 12.353 11.236 1.00 0.00 N ATOM 0 H HIS A 56 -0.261 14.512 7.452 1.00 0.00 H new ATOM 0 HA HIS A 56 0.201 12.289 8.923 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.110 14.790 8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.095 14.857 10.410 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.031 12.481 9.137 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.159 12.728 13.364 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.297 11.774 11.238 1.00 0.00 H new ATOM 829 N GLN A 57 -2.407 13.871 10.160 1.00 0.00 N ATOM 830 CA GLN A 57 -3.589 13.699 10.989 1.00 0.00 C ATOM 831 C GLN A 57 -4.406 12.500 10.505 1.00 0.00 C ATOM 832 O GLN A 57 -4.840 11.675 11.307 1.00 0.00 O ATOM 833 CB GLN A 57 -4.438 14.971 11.004 1.00 0.00 C ATOM 834 CG GLN A 57 -3.566 16.210 11.221 1.00 0.00 C ATOM 835 CD GLN A 57 -4.394 17.375 11.766 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.408 17.764 11.209 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.908 17.909 12.883 1.00 0.00 N ATOM 0 H GLN A 57 -2.317 14.793 9.732 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.267 13.505 12.012 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.979 15.063 10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.185 14.905 11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.761 15.975 11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.099 16.500 10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.054 17.535 13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.389 18.692 13.325 1.00 0.00 H new ATOM 846 N ALA A 58 -4.592 12.441 9.194 1.00 0.00 N ATOM 847 CA ALA A 58 -5.349 11.356 8.593 1.00 0.00 C ATOM 848 C ALA A 58 -4.668 10.025 8.914 1.00 0.00 C ATOM 849 O ALA A 58 -5.331 9.058 9.286 1.00 0.00 O ATOM 850 CB ALA A 58 -5.480 11.597 7.088 1.00 0.00 C ATOM 0 H ALA A 58 -4.231 13.127 8.531 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.357 11.317 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.048 10.783 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.998 12.540 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.488 11.640 6.639 1.00 0.00 H new ATOM 856 N GLY A 59 -3.352 10.017 8.759 1.00 0.00 N ATOM 857 CA GLY A 59 -2.573 8.820 9.028 1.00 0.00 C ATOM 858 C GLY A 59 -2.010 8.231 7.733 1.00 0.00 C ATOM 859 O GLY A 59 -2.135 7.032 7.487 1.00 0.00 O ATOM 0 H GLY A 59 -2.805 10.821 8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.756 9.059 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.198 8.079 9.527 1.00 0.00 H new ATOM 863 N LEU A 60 -1.403 9.100 6.939 1.00 0.00 N ATOM 864 CA LEU A 60 -0.820 8.681 5.676 1.00 0.00 C ATOM 865 C LEU A 60 0.646 8.304 5.896 1.00 0.00 C ATOM 866 O LEU A 60 1.291 8.812 6.812 1.00 0.00 O ATOM 867 CB LEU A 60 -1.025 9.756 4.608 1.00 0.00 C ATOM 868 CG LEU A 60 -2.361 9.716 3.862 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.450 10.845 2.834 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.593 8.343 3.228 1.00 0.00 C ATOM 0 H LEU A 60 -1.302 10.094 7.146 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.325 7.791 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.925 10.733 5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.221 9.672 3.877 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.161 9.877 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.409 10.793 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.362 11.806 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.643 10.742 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.549 8.341 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.791 8.128 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.604 7.580 4.006 1.00 0.00 H new ATOM 882 N GLU A 61 1.130 7.416 5.040 1.00 0.00 N ATOM 883 CA GLU A 61 2.509 6.965 5.130 1.00 0.00 C ATOM 884 C GLU A 61 3.116 6.832 3.731 1.00 0.00 C ATOM 885 O GLU A 61 2.413 6.966 2.730 1.00 0.00 O ATOM 886 CB GLU A 61 2.605 5.645 5.897 1.00 0.00 C ATOM 887 CG GLU A 61 1.797 4.547 5.202 1.00 0.00 C ATOM 888 CD GLU A 61 0.466 4.309 5.919 1.00 0.00 C ATOM 889 OE1 GLU A 61 -0.450 5.131 5.701 1.00 0.00 O ATOM 890 OE2 GLU A 61 0.396 3.312 6.669 1.00 0.00 O ATOM 0 H GLU A 61 0.593 6.997 4.281 1.00 0.00 H new ATOM 0 HA GLU A 61 3.080 7.711 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.649 5.340 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.238 5.784 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.611 4.828 4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.374 3.623 5.183 1.00 0.00 H new ATOM 897 N TYR A 62 4.414 6.572 3.707 1.00 0.00 N ATOM 898 CA TYR A 62 5.124 6.420 2.448 1.00 0.00 C ATOM 899 C TYR A 62 5.038 4.978 1.941 1.00 0.00 C ATOM 900 O TYR A 62 4.862 4.049 2.728 1.00 0.00 O ATOM 901 CB TYR A 62 6.586 6.758 2.744 1.00 0.00 C ATOM 902 CG TYR A 62 7.525 6.554 1.554 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.794 5.279 1.097 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.104 7.644 0.936 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.678 5.087 -0.023 1.00 0.00 C ATOM 906 CE2 TYR A 62 8.988 7.452 -0.184 1.00 0.00 C ATOM 907 CZ TYR A 62 9.231 6.183 -0.608 1.00 0.00 C ATOM 908 OH TYR A 62 10.067 6.001 -1.666 1.00 0.00 O ATOM 0 H TYR A 62 4.993 6.463 4.539 1.00 0.00 H new ATOM 0 HA TYR A 62 4.693 7.066 1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.649 7.796 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.930 6.142 3.575 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.341 4.426 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.894 8.641 1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.897 4.095 -0.390 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.448 8.296 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 62 10.843 5.474 -1.383 1.00 0.00 H new ATOM 918 N GLY A 63 5.168 4.837 0.630 1.00 0.00 N ATOM 919 CA GLY A 63 5.109 3.525 0.009 1.00 0.00 C ATOM 920 C GLY A 63 3.659 3.092 -0.220 1.00 0.00 C ATOM 921 O GLY A 63 3.404 2.089 -0.885 1.00 0.00 O ATOM 0 H GLY A 63 5.314 5.610 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.641 3.545 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.614 2.796 0.642 1.00 0.00 H new ATOM 925 N ASP A 64 2.747 3.870 0.345 1.00 0.00 N ATOM 926 CA ASP A 64 1.329 3.580 0.211 1.00 0.00 C ATOM 927 C ASP A 64 0.833 4.095 -1.142 1.00 0.00 C ATOM 928 O ASP A 64 0.442 5.255 -1.262 1.00 0.00 O ATOM 929 CB ASP A 64 0.519 4.274 1.307 1.00 0.00 C ATOM 930 CG ASP A 64 -0.300 3.337 2.197 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.361 2.137 1.853 1.00 0.00 O ATOM 932 OD2 ASP A 64 -0.847 3.842 3.201 1.00 0.00 O ATOM 0 H ASP A 64 2.962 4.701 0.896 1.00 0.00 H new ATOM 0 HA ASP A 64 1.196 2.501 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.202 4.844 1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.157 4.990 0.840 1.00 0.00 H new ATOM 937 N GLN A 65 0.866 3.208 -2.125 1.00 0.00 N ATOM 938 CA GLN A 65 0.424 3.559 -3.464 1.00 0.00 C ATOM 939 C GLN A 65 -1.038 4.010 -3.440 1.00 0.00 C ATOM 940 O GLN A 65 -1.882 3.358 -2.828 1.00 0.00 O ATOM 941 CB GLN A 65 0.621 2.389 -4.431 1.00 0.00 C ATOM 942 CG GLN A 65 0.730 2.883 -5.875 1.00 0.00 C ATOM 943 CD GLN A 65 0.022 1.927 -6.836 1.00 0.00 C ATOM 944 OE1 GLN A 65 0.197 0.720 -6.793 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.786 2.530 -7.703 1.00 0.00 N ATOM 0 H GLN A 65 1.192 2.247 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 65 1.034 4.389 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.523 1.838 -4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.215 1.695 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.292 3.878 -5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.780 2.973 -6.154 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.887 3.545 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.305 1.978 -8.386 1.00 0.00 H new ATOM 954 N LEU A 66 -1.292 5.122 -4.114 1.00 0.00 N ATOM 955 CA LEU A 66 -2.637 5.668 -4.177 1.00 0.00 C ATOM 956 C LEU A 66 -3.354 5.104 -5.405 1.00 0.00 C ATOM 957 O LEU A 66 -2.877 5.252 -6.529 1.00 0.00 O ATOM 958 CB LEU A 66 -2.597 7.197 -4.136 1.00 0.00 C ATOM 959 CG LEU A 66 -1.608 7.816 -3.147 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.327 9.279 -3.496 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.098 7.654 -1.707 1.00 0.00 C ATOM 0 H LEU A 66 -0.589 5.660 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.213 5.364 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.357 7.561 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.596 7.560 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.663 7.279 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.621 9.695 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.903 9.339 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.257 9.846 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.376 8.103 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.062 8.149 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.205 6.594 -1.476 1.00 0.00 H new ATOM 973 N LEU A 67 -4.488 4.469 -5.149 1.00 0.00 N ATOM 974 CA LEU A 67 -5.276 3.882 -6.219 1.00 0.00 C ATOM 975 C LEU A 67 -6.405 4.841 -6.601 1.00 0.00 C ATOM 976 O LEU A 67 -6.706 5.014 -7.781 1.00 0.00 O ATOM 977 CB LEU A 67 -5.762 2.486 -5.824 1.00 0.00 C ATOM 978 CG LEU A 67 -4.731 1.586 -5.141 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.411 0.412 -4.433 1.00 0.00 C ATOM 980 CD2 LEU A 67 -3.667 1.117 -6.136 1.00 0.00 C ATOM 0 H LEU A 67 -4.880 4.348 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.663 3.740 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.618 2.596 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.119 1.980 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.221 2.171 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.655 -0.212 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.098 0.792 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.964 -0.181 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.947 0.479 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.143 0.555 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.153 1.983 -6.554 1.00 0.00 H new ATOM 992 N GLU A 68 -7.000 5.441 -5.580 1.00 0.00 N ATOM 993 CA GLU A 68 -8.090 6.378 -5.793 1.00 0.00 C ATOM 994 C GLU A 68 -8.089 7.450 -4.701 1.00 0.00 C ATOM 995 O GLU A 68 -7.866 7.148 -3.530 1.00 0.00 O ATOM 996 CB GLU A 68 -9.435 5.651 -5.848 1.00 0.00 C ATOM 997 CG GLU A 68 -9.585 4.873 -7.156 1.00 0.00 C ATOM 998 CD GLU A 68 -10.963 4.215 -7.248 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.924 4.838 -6.745 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -11.026 3.105 -7.818 1.00 0.00 O ATOM 0 H GLU A 68 -6.747 5.296 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.940 6.868 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.518 4.968 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.247 6.373 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.442 5.546 -8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.809 4.110 -7.221 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.342 8.680 -5.124 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.374 9.798 -4.197 1.00 0.00 C ATOM 1009 C PHE A 69 -9.772 10.415 -4.129 1.00 0.00 C ATOM 1010 O PHE A 69 -10.189 11.120 -5.047 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.393 10.846 -4.727 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.330 12.122 -3.885 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.266 13.095 -4.054 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.340 12.283 -2.967 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.208 14.279 -3.272 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.282 13.468 -2.185 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.217 14.440 -2.354 1.00 0.00 C ATOM 0 H PHE A 69 -8.527 8.927 -6.096 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.107 9.459 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.397 10.405 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.674 11.109 -5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.053 12.967 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.598 11.510 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.951 15.052 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.495 13.596 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.173 15.340 -1.759 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.459 10.126 -3.033 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.802 10.643 -2.833 1.00 0.00 C ATOM 1029 C ASN A 70 -12.700 10.173 -3.979 1.00 0.00 C ATOM 1030 O ASN A 70 -13.784 10.717 -4.186 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.807 12.173 -2.826 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.752 12.713 -1.750 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.445 11.975 -1.069 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.742 14.038 -1.637 1.00 0.00 N ATOM 0 H ASN A 70 -10.110 9.540 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.166 10.276 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.797 12.543 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.114 12.544 -3.804 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.339 14.496 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.137 14.597 -2.239 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.217 9.167 -4.692 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.963 8.617 -5.811 1.00 0.00 C ATOM 1043 C GLY A 71 -12.142 8.679 -7.101 1.00 0.00 C ATOM 1044 O GLY A 71 -12.274 7.815 -7.967 1.00 0.00 O ATOM 0 H GLY A 71 -11.318 8.718 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.235 7.583 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.893 9.171 -5.940 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.314 9.709 -7.188 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.472 9.896 -8.358 1.00 0.00 C ATOM 1050 C ILE A 72 -9.732 8.591 -8.661 1.00 0.00 C ATOM 1051 O ILE A 72 -9.633 7.716 -7.803 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.546 11.098 -8.165 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.280 12.408 -8.455 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.277 10.953 -9.008 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.045 13.427 -7.339 1.00 0.00 C ATOM 0 H ILE A 72 -11.208 10.423 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.080 10.129 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.237 11.127 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.937 12.818 -9.405 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.348 12.216 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.636 11.821 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.744 10.050 -8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.546 10.885 -10.062 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.578 14.349 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.411 13.023 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.978 13.636 -7.255 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.231 8.503 -9.885 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.503 7.321 -10.312 1.00 0.00 C ATOM 1069 C ASN A 73 -7.014 7.656 -10.422 1.00 0.00 C ATOM 1070 O ASN A 73 -6.593 8.323 -11.365 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.983 6.844 -11.684 1.00 0.00 C ATOM 1072 CG ASN A 73 -9.139 5.322 -11.712 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -9.827 4.728 -10.898 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -8.464 4.727 -12.692 1.00 0.00 N ATOM 0 H ASN A 73 -9.315 9.231 -10.594 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.675 6.535 -9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.936 7.315 -11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.272 7.154 -12.450 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.504 3.713 -12.796 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.907 5.285 -13.339 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.259 7.176 -9.445 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.826 7.417 -9.420 1.00 0.00 C ATOM 1083 C LEU A 74 -4.134 6.447 -10.380 1.00 0.00 C ATOM 1084 O LEU A 74 -3.218 6.833 -11.105 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.295 7.347 -7.987 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.283 8.666 -7.211 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.448 9.722 -7.938 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.707 9.152 -6.934 1.00 0.00 C ATOM 0 H LEU A 74 -6.612 6.622 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.603 8.426 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.897 6.627 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.278 6.956 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.809 8.490 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.456 10.650 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.422 9.368 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.870 9.902 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.670 10.091 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.229 9.307 -7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.238 8.405 -6.344 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.598 5.206 -10.353 1.00 0.00 N ATOM 1101 CA ARG A 75 -4.035 4.178 -11.212 1.00 0.00 C ATOM 1102 C ARG A 75 -3.773 4.740 -12.611 1.00 0.00 C ATOM 1103 O ARG A 75 -2.859 4.294 -13.302 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.975 2.976 -11.320 1.00 0.00 C ATOM 1105 CG ARG A 75 -5.495 2.560 -9.943 1.00 0.00 C ATOM 1106 CD ARG A 75 -6.983 2.884 -9.798 1.00 0.00 C ATOM 1107 NE ARG A 75 -7.548 2.161 -8.637 1.00 0.00 N ATOM 1108 CZ ARG A 75 -7.952 0.884 -8.671 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -7.856 0.181 -9.808 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -8.452 0.309 -7.569 1.00 0.00 N ATOM 0 H ARG A 75 -5.357 4.889 -9.750 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.095 3.851 -10.767 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.814 3.224 -11.970 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.450 2.140 -11.782 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.336 1.491 -9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.930 3.075 -9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.119 3.958 -9.669 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.515 2.602 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.635 2.667 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.475 0.618 -10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.164 -0.791 -9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.525 0.843 -6.703 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.759 -0.663 -7.596 1.00 0.00 H new ATOM 1124 N SER A 76 -4.593 5.710 -12.987 1.00 0.00 N ATOM 1125 CA SER A 76 -4.462 6.338 -14.291 1.00 0.00 C ATOM 1126 C SER A 76 -4.201 7.836 -14.127 1.00 0.00 C ATOM 1127 O SER A 76 -4.813 8.655 -14.811 1.00 0.00 O ATOM 1128 CB SER A 76 -5.712 6.107 -15.142 1.00 0.00 C ATOM 1129 OG SER A 76 -5.387 5.719 -16.474 1.00 0.00 O ATOM 0 H SER A 76 -5.351 6.077 -12.411 1.00 0.00 H new ATOM 0 HA SER A 76 -3.616 5.883 -14.806 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.328 5.335 -14.680 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.308 7.019 -15.165 1.00 0.00 H new ATOM 0 HG SER A 76 -6.212 5.579 -16.985 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.290 8.150 -13.217 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.941 9.535 -12.955 1.00 0.00 C ATOM 1137 C ALA A 77 -1.430 9.714 -13.113 1.00 0.00 C ATOM 1138 O ALA A 77 -0.725 8.776 -13.483 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.432 9.931 -11.560 1.00 0.00 C ATOM 0 H ALA A 77 -2.783 7.468 -12.652 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.429 10.196 -13.672 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.170 10.971 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.514 9.814 -11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.962 9.291 -10.813 1.00 0.00 H new ATOM 1145 N THR A 78 -0.976 10.926 -12.826 1.00 0.00 N ATOM 1146 CA THR A 78 0.439 11.240 -12.932 1.00 0.00 C ATOM 1147 C THR A 78 0.902 12.033 -11.708 1.00 0.00 C ATOM 1148 O THR A 78 0.119 12.284 -10.794 1.00 0.00 O ATOM 1149 CB THR A 78 0.661 11.977 -14.254 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.246 13.074 -14.197 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.191 11.166 -15.463 1.00 0.00 C ATOM 0 H THR A 78 -1.563 11.702 -12.520 1.00 0.00 H new ATOM 0 HA THR A 78 1.046 10.335 -12.942 1.00 0.00 H new ATOM 0 HB THR A 78 1.720 12.212 -14.365 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.145 13.624 -15.002 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.371 11.735 -16.375 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.741 10.226 -15.507 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.875 10.959 -15.370 1.00 0.00 H new ATOM 1159 N GLU A 79 2.173 12.406 -11.731 1.00 0.00 N ATOM 1160 CA GLU A 79 2.750 13.165 -10.635 1.00 0.00 C ATOM 1161 C GLU A 79 2.172 14.582 -10.609 1.00 0.00 C ATOM 1162 O GLU A 79 1.970 15.154 -9.539 1.00 0.00 O ATOM 1163 CB GLU A 79 4.277 13.198 -10.734 1.00 0.00 C ATOM 1164 CG GLU A 79 4.727 13.426 -12.179 1.00 0.00 C ATOM 1165 CD GLU A 79 6.135 14.024 -12.225 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.994 13.513 -11.475 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.320 14.979 -13.011 1.00 0.00 O ATOM 0 H GLU A 79 2.820 12.197 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 79 2.490 12.670 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.669 13.991 -10.097 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.690 12.259 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.711 12.481 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.027 14.094 -12.681 1.00 0.00 H new ATOM 1174 N GLN A 80 1.922 15.107 -11.799 1.00 0.00 N ATOM 1175 CA GLN A 80 1.372 16.445 -11.926 1.00 0.00 C ATOM 1176 C GLN A 80 -0.083 16.468 -11.452 1.00 0.00 C ATOM 1177 O GLN A 80 -0.456 17.294 -10.620 1.00 0.00 O ATOM 1178 CB GLN A 80 1.487 16.952 -13.365 1.00 0.00 C ATOM 1179 CG GLN A 80 0.671 16.078 -14.321 1.00 0.00 C ATOM 1180 CD GLN A 80 1.101 16.304 -15.772 1.00 0.00 C ATOM 1181 OE1 GLN A 80 1.822 17.234 -16.095 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.619 15.405 -16.625 1.00 0.00 N ATOM 0 H GLN A 80 2.090 14.629 -12.684 1.00 0.00 H new ATOM 0 HA GLN A 80 1.952 17.116 -11.292 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.137 17.983 -13.420 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.533 16.954 -13.671 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.800 15.028 -14.059 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.389 16.306 -14.212 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.021 14.651 -16.287 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.848 15.469 -17.617 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.865 15.551 -12.001 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.271 15.455 -11.645 1.00 0.00 C ATOM 1193 C GLN A 81 -2.424 15.270 -10.134 1.00 0.00 C ATOM 1194 O GLN A 81 -3.059 16.084 -9.466 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.954 14.320 -12.409 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.539 14.822 -13.731 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.588 14.535 -14.895 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.969 15.423 -15.458 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.507 13.248 -15.223 1.00 0.00 N ATOM 0 H GLN A 81 -0.552 14.867 -12.690 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.762 16.386 -11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.235 13.524 -12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.747 13.890 -11.797 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.499 14.340 -13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.727 15.894 -13.666 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.053 12.556 -14.710 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.899 12.954 -15.987 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.831 14.193 -9.640 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.893 13.890 -8.220 1.00 0.00 C ATOM 1210 C ALA A 82 -1.680 15.175 -7.418 1.00 0.00 C ATOM 1211 O ALA A 82 -2.572 15.616 -6.695 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.860 12.813 -7.882 1.00 0.00 C ATOM 0 H ALA A 82 -1.305 13.520 -10.197 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.874 13.496 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.906 12.586 -6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.074 11.911 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.137 13.174 -8.133 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.492 15.741 -7.574 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.150 16.968 -6.873 1.00 0.00 C ATOM 1220 C ARG A 83 -1.336 17.935 -6.886 1.00 0.00 C ATOM 1221 O ARG A 83 -1.555 18.666 -5.922 1.00 0.00 O ATOM 1222 CB ARG A 83 1.061 17.648 -7.514 1.00 0.00 C ATOM 1223 CG ARG A 83 2.366 16.998 -7.048 1.00 0.00 C ATOM 1224 CD ARG A 83 3.544 17.962 -7.199 1.00 0.00 C ATOM 1225 NE ARG A 83 4.342 17.985 -5.953 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.344 18.843 -5.719 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.677 19.753 -6.644 1.00 0.00 N ATOM 1228 NH2 ARG A 83 6.013 18.791 -4.559 1.00 0.00 N ATOM 0 H ARG A 83 0.245 15.373 -8.175 1.00 0.00 H new ATOM 0 HA ARG A 83 0.097 16.705 -5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.986 17.584 -8.600 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.066 18.707 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.272 16.693 -6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.554 16.095 -7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.171 17.655 -8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.178 18.964 -7.425 1.00 0.00 H new ATOM 0 HE ARG A 83 4.115 17.305 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.168 19.793 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.440 20.406 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.759 18.098 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.776 19.444 -4.381 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.069 17.907 -7.990 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.226 18.772 -8.141 1.00 0.00 C ATOM 1244 C LEU A 84 -4.421 18.150 -7.414 1.00 0.00 C ATOM 1245 O LEU A 84 -5.156 18.844 -6.713 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.490 19.061 -9.620 1.00 0.00 C ATOM 1247 CG LEU A 84 -2.515 20.027 -10.298 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -2.295 19.644 -11.763 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -2.985 21.475 -10.148 1.00 0.00 C ATOM 0 H LEU A 84 -1.884 17.299 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.039 19.741 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.472 18.116 -10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.498 19.465 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.551 19.948 -9.796 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.599 20.346 -12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.884 18.636 -11.818 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.246 19.677 -12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.275 22.141 -10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.966 21.589 -10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.049 21.729 -9.090 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.577 16.848 -7.606 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.670 16.125 -6.977 1.00 0.00 C ATOM 1263 C ILE A 85 -5.579 16.291 -5.459 1.00 0.00 C ATOM 1264 O ILE A 85 -6.519 16.769 -4.826 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.681 14.666 -7.437 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -5.771 14.572 -8.961 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -6.799 13.882 -6.747 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.387 13.173 -9.448 1.00 0.00 C ATOM 0 H ILE A 85 -3.965 16.275 -8.188 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.629 16.540 -7.286 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.737 14.208 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.785 14.808 -9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.112 15.312 -9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.785 12.848 -7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.648 13.907 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.762 14.332 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.460 13.133 -10.535 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.364 12.950 -9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.063 12.438 -9.012 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.438 15.888 -4.919 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.212 15.986 -3.487 1.00 0.00 C ATOM 1282 C ILE A 86 -4.205 17.460 -3.076 1.00 0.00 C ATOM 1283 O ILE A 86 -4.590 17.798 -1.958 1.00 0.00 O ATOM 1284 CB ILE A 86 -2.941 15.231 -3.092 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.695 15.937 -3.629 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.010 13.770 -3.540 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.434 15.118 -3.343 1.00 0.00 C ATOM 0 H ILE A 86 -3.660 15.493 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.023 15.506 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.867 15.231 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.796 16.093 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.605 16.922 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.095 13.256 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.865 13.285 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.120 13.726 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.437 15.643 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.323 14.984 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.517 14.143 -3.823 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.762 18.297 -4.003 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.699 19.727 -3.751 1.00 0.00 C ATOM 1301 C GLY A 87 -5.014 20.409 -4.135 1.00 0.00 C ATOM 1302 O GLY A 87 -5.010 21.529 -4.643 1.00 0.00 O ATOM 0 H GLY A 87 -3.443 18.012 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.487 19.905 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.878 20.164 -4.320 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.106 19.706 -3.877 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.425 20.230 -4.189 1.00 0.00 C ATOM 1308 C GLN A 88 -8.077 20.810 -2.932 1.00 0.00 C ATOM 1309 O GLN A 88 -7.446 20.884 -1.879 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.309 19.151 -4.817 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.050 19.036 -6.321 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.352 18.786 -7.084 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.444 18.869 -6.545 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.177 18.475 -8.365 1.00 0.00 N ATOM 0 H GLN A 88 -6.105 18.777 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.313 21.032 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.115 18.192 -4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.358 19.388 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.582 19.951 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.350 18.222 -6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.235 18.423 -8.753 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.985 18.289 -8.960 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.332 21.206 -3.085 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.076 21.777 -1.975 1.00 0.00 C ATOM 1325 C GLN A 89 -11.216 20.843 -1.564 1.00 0.00 C ATOM 1326 O GLN A 89 -11.853 20.223 -2.414 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.607 23.168 -2.329 1.00 0.00 C ATOM 1328 CG GLN A 89 -10.898 23.279 -3.827 1.00 0.00 C ATOM 1329 CD GLN A 89 -9.601 23.397 -4.630 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -8.759 24.242 -4.377 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.489 22.504 -5.610 1.00 0.00 N ATOM 0 H GLN A 89 -9.852 21.143 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.399 21.887 -1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.516 23.369 -1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.877 23.924 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.457 22.404 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.527 24.149 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.232 21.823 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.660 22.500 -6.204 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.439 20.772 -0.260 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.491 19.924 0.274 1.00 0.00 C ATOM 1342 C CYS A 90 -12.279 19.789 1.784 1.00 0.00 C ATOM 1343 O CYS A 90 -11.218 19.356 2.229 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.527 18.562 -0.421 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.908 18.508 -1.621 1.00 0.00 S ATOM 0 H CYS A 90 -10.909 21.288 0.442 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.462 20.381 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.582 18.381 -0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.646 17.770 0.319 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.637 19.282 -2.630 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.307 20.169 2.529 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.247 20.096 3.979 1.00 0.00 C ATOM 1353 C ASP A 91 -12.840 18.682 4.398 1.00 0.00 C ATOM 1354 O ASP A 91 -11.942 18.508 5.221 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.610 20.400 4.603 1.00 0.00 C ATOM 1356 CG ASP A 91 -15.071 21.853 4.475 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.259 22.664 3.978 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.224 22.120 4.876 1.00 0.00 O ATOM 0 H ASP A 91 -14.186 20.528 2.156 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.521 20.832 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.357 19.756 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.575 20.138 5.660 1.00 0.00 H new ATOM 1363 N THR A 92 -13.519 17.707 3.812 1.00 0.00 N ATOM 1364 CA THR A 92 -13.240 16.313 4.114 1.00 0.00 C ATOM 1365 C THR A 92 -13.128 15.500 2.822 1.00 0.00 C ATOM 1366 O THR A 92 -14.057 15.479 2.016 1.00 0.00 O ATOM 1367 CB THR A 92 -14.330 15.806 5.059 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.408 16.809 6.069 1.00 0.00 O ATOM 1369 CG2 THR A 92 -13.908 14.546 5.818 1.00 0.00 C ATOM 0 H THR A 92 -14.262 17.855 3.129 1.00 0.00 H new ATOM 0 HA THR A 92 -12.279 16.202 4.616 1.00 0.00 H new ATOM 0 HB THR A 92 -15.237 15.600 4.490 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.093 16.561 6.724 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.718 14.228 6.475 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.684 13.751 5.107 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.021 14.760 6.414 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.984 14.850 2.667 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.740 14.037 1.488 1.00 0.00 C ATOM 1379 C ILE A 93 -11.165 12.686 1.915 1.00 0.00 C ATOM 1380 O ILE A 93 -10.519 12.583 2.958 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.859 14.792 0.490 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -10.015 13.822 -0.339 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.999 15.839 1.200 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.836 13.287 0.476 1.00 0.00 C ATOM 0 H ILE A 93 -11.216 14.870 3.338 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.675 13.835 0.965 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.509 15.327 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.635 12.992 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.645 14.327 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.383 16.361 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.644 16.556 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.357 15.347 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.252 12.600 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.205 14.118 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.210 12.762 1.355 1.00 0.00 H new ATOM 1396 N THR A 94 -11.419 11.682 1.089 1.00 0.00 N ATOM 1397 CA THR A 94 -10.935 10.341 1.369 1.00 0.00 C ATOM 1398 C THR A 94 -9.803 9.971 0.408 1.00 0.00 C ATOM 1399 O THR A 94 -9.633 10.608 -0.631 1.00 0.00 O ATOM 1400 CB THR A 94 -12.126 9.384 1.301 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.181 10.096 1.942 1.00 0.00 O ATOM 1402 CG2 THR A 94 -11.931 8.142 2.173 1.00 0.00 C ATOM 0 H THR A 94 -11.954 11.770 0.225 1.00 0.00 H new ATOM 0 HA THR A 94 -10.505 10.277 2.369 1.00 0.00 H new ATOM 0 HB THR A 94 -12.287 9.079 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.993 9.548 1.941 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.805 7.497 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.046 7.599 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.803 8.444 3.213 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.058 8.944 0.789 1.00 0.00 N ATOM 1411 CA ILE A 95 -7.947 8.482 -0.026 1.00 0.00 C ATOM 1412 C ILE A 95 -7.913 6.953 -0.014 1.00 0.00 C ATOM 1413 O ILE A 95 -8.164 6.331 1.017 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.640 9.131 0.433 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.546 10.579 -0.051 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.432 8.301 -0.007 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.496 11.357 0.745 1.00 0.00 C ATOM 0 H ILE A 95 -9.202 8.419 1.651 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.081 8.790 -1.063 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.636 9.155 1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.290 10.596 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.517 11.064 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.516 8.784 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.498 7.304 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.421 8.223 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.450 12.383 0.380 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.767 11.359 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.522 10.884 0.622 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.599 6.390 -1.172 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.528 4.945 -1.308 1.00 0.00 C ATOM 1431 C LEU A 96 -6.071 4.528 -1.512 1.00 0.00 C ATOM 1432 O LEU A 96 -5.466 4.851 -2.534 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.468 4.465 -2.415 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.575 2.949 -2.592 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -7.191 2.297 -2.596 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.494 2.337 -1.532 1.00 0.00 C ATOM 0 H LEU A 96 -7.391 6.909 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.874 4.458 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.464 4.859 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.138 4.899 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.026 2.750 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.297 1.220 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.600 2.703 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.689 2.503 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.553 1.259 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -9.094 2.546 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.490 2.770 -1.620 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.548 3.815 -0.525 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.173 3.349 -0.584 1.00 0.00 C ATOM 1450 C ALA A 97 -4.148 1.827 -0.440 1.00 0.00 C ATOM 1451 O ALA A 97 -5.189 1.201 -0.241 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.350 4.051 0.497 1.00 0.00 C ATOM 0 H ALA A 97 -6.052 3.549 0.321 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.725 3.596 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.318 3.702 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.376 5.128 0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.768 3.824 1.478 1.00 0.00 H new ATOM 1458 N GLN A 98 -2.949 1.274 -0.545 1.00 0.00 N ATOM 1459 CA GLN A 98 -2.775 -0.164 -0.429 1.00 0.00 C ATOM 1460 C GLN A 98 -1.287 -0.517 -0.385 1.00 0.00 C ATOM 1461 O GLN A 98 -0.654 -0.685 -1.426 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.478 -0.896 -1.573 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.668 -2.378 -1.242 1.00 0.00 C ATOM 1464 CD GLN A 98 -3.958 -3.190 -2.506 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.870 -2.703 -3.621 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.307 -4.451 -2.271 1.00 0.00 N ATOM 0 H GLN A 98 -2.088 1.796 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.234 -0.491 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.447 -0.435 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.893 -0.796 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.772 -2.763 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.489 -2.494 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.361 -4.795 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.520 -5.075 -3.049 1.00 0.00 H new ATOM 1475 N TYR A 99 -0.771 -0.618 0.831 1.00 0.00 N ATOM 1476 CA TYR A 99 0.631 -0.948 1.025 1.00 0.00 C ATOM 1477 C TYR A 99 1.064 -2.074 0.084 1.00 0.00 C ATOM 1478 O TYR A 99 0.331 -3.042 -0.110 1.00 0.00 O ATOM 1479 CB TYR A 99 0.755 -1.431 2.471 1.00 0.00 C ATOM 1480 CG TYR A 99 2.134 -1.991 2.824 1.00 0.00 C ATOM 1481 CD1 TYR A 99 3.130 -1.145 3.268 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.383 -3.343 2.697 1.00 0.00 C ATOM 1483 CE1 TYR A 99 4.428 -1.672 3.600 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.682 -3.870 3.029 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.640 -3.008 3.465 1.00 0.00 C ATOM 1486 OH TYR A 99 5.866 -3.506 3.778 1.00 0.00 O ATOM 0 H TYR A 99 -1.299 -0.477 1.692 1.00 0.00 H new ATOM 0 HA TYR A 99 1.261 -0.083 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.529 -0.601 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.005 -2.201 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.936 -0.087 3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.604 -4.005 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.216 -1.020 3.949 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.891 -4.925 2.934 1.00 0.00 H new ATOM 0 HH TYR A 99 5.872 -4.475 3.634 1.00 0.00 H new ATOM 1496 N ASN A 100 2.254 -1.910 -0.475 1.00 0.00 N ATOM 1497 CA ASN A 100 2.794 -2.901 -1.391 1.00 0.00 C ATOM 1498 C ASN A 100 4.187 -3.320 -0.918 1.00 0.00 C ATOM 1499 O ASN A 100 5.119 -2.517 -0.931 1.00 0.00 O ATOM 1500 CB ASN A 100 2.926 -2.330 -2.804 1.00 0.00 C ATOM 1501 CG ASN A 100 3.490 -3.377 -3.767 1.00 0.00 C ATOM 1502 OD1 ASN A 100 3.555 -4.559 -3.472 1.00 0.00 O ATOM 1503 ND2 ASN A 100 3.894 -2.878 -4.932 1.00 0.00 N ATOM 0 H ASN A 100 2.860 -1.106 -0.311 1.00 0.00 H new ATOM 0 HA ASN A 100 2.113 -3.752 -1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.951 -1.994 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.578 -1.457 -2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.287 -3.495 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.811 -1.878 -5.115 1.00 0.00 H new ATOM 1510 N PRO A 101 4.288 -4.611 -0.501 1.00 0.00 N ATOM 1511 CA PRO A 101 5.552 -5.146 -0.025 1.00 0.00 C ATOM 1512 C PRO A 101 6.509 -5.411 -1.190 1.00 0.00 C ATOM 1513 O PRO A 101 7.055 -6.507 -1.312 1.00 0.00 O ATOM 1514 CB PRO A 101 5.182 -6.408 0.738 1.00 0.00 C ATOM 1515 CG PRO A 101 3.785 -6.783 0.271 1.00 0.00 C ATOM 1516 CD PRO A 101 3.206 -5.590 -0.472 1.00 0.00 C ATOM 0 HA PRO A 101 6.088 -4.449 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.891 -7.210 0.533 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.200 -6.234 1.814 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.822 -7.657 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.156 -7.045 1.122 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.893 -5.865 -1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.327 -5.194 0.038 1.00 0.00 H new ATOM 1524 N HIS A 102 6.682 -4.390 -2.015 1.00 0.00 N ATOM 1525 CA HIS A 102 7.563 -4.499 -3.166 1.00 0.00 C ATOM 1526 C HIS A 102 8.446 -3.252 -3.256 1.00 0.00 C ATOM 1527 O HIS A 102 9.655 -3.357 -3.457 1.00 0.00 O ATOM 1528 CB HIS A 102 6.760 -4.749 -4.444 1.00 0.00 C ATOM 1529 CG HIS A 102 7.608 -4.889 -5.685 1.00 0.00 C ATOM 1530 ND1 HIS A 102 7.286 -4.281 -6.886 1.00 0.00 N ATOM 1531 CD2 HIS A 102 8.769 -5.573 -5.899 1.00 0.00 C ATOM 1532 CE1 HIS A 102 8.217 -4.592 -7.775 1.00 0.00 C ATOM 1533 NE2 HIS A 102 9.135 -5.393 -7.162 1.00 0.00 N ATOM 0 H HIS A 102 6.227 -3.483 -1.910 1.00 0.00 H new ATOM 0 HA HIS A 102 8.220 -5.360 -3.045 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.168 -5.655 -4.317 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.059 -3.927 -4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.300 -6.161 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.244 -4.268 -8.805 1.00 0.00 H new ATOM 0 HE2 HIS A 102 9.966 -5.789 -7.602 1.00 0.00 H new ATOM 1541 N VAL A 103 7.807 -2.102 -3.102 1.00 0.00 N ATOM 1542 CA VAL A 103 8.520 -0.837 -3.164 1.00 0.00 C ATOM 1543 C VAL A 103 9.509 -0.757 -2.000 1.00 0.00 C ATOM 1544 O VAL A 103 9.313 -1.398 -0.968 1.00 0.00 O ATOM 1545 CB VAL A 103 7.523 0.324 -3.182 1.00 0.00 C ATOM 1546 CG1 VAL A 103 6.911 0.543 -1.797 1.00 0.00 C ATOM 1547 CG2 VAL A 103 8.183 1.605 -3.698 1.00 0.00 C ATOM 0 H VAL A 103 6.804 -2.019 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 103 9.097 -0.768 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 103 6.717 0.062 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.206 1.374 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.389 -0.361 -1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.701 0.772 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.453 2.415 -3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.018 1.871 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.549 1.443 -4.712 1.00 0.00 H new ATOM 1557 N HIS A 104 10.551 0.036 -2.204 1.00 0.00 N ATOM 1558 CA HIS A 104 11.572 0.208 -1.184 1.00 0.00 C ATOM 1559 C HIS A 104 12.471 1.390 -1.553 1.00 0.00 C ATOM 1560 O HIS A 104 12.368 1.934 -2.651 1.00 0.00 O ATOM 1561 CB HIS A 104 12.355 -1.090 -0.975 1.00 0.00 C ATOM 1562 CG HIS A 104 13.102 -1.561 -2.199 1.00 0.00 C ATOM 1563 ND1 HIS A 104 14.075 -2.544 -2.152 1.00 0.00 N ATOM 1564 CD2 HIS A 104 13.009 -1.175 -3.504 1.00 0.00 C ATOM 1565 CE1 HIS A 104 14.539 -2.733 -3.378 1.00 0.00 C ATOM 1566 NE2 HIS A 104 13.878 -1.882 -4.214 1.00 0.00 N ATOM 0 H HIS A 104 10.710 0.567 -3.061 1.00 0.00 H new ATOM 0 HA HIS A 104 11.102 0.438 -0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.066 -0.946 -0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 104 11.664 -1.872 -0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.341 -0.421 -3.893 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.306 -3.437 -3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.027 -1.802 -5.220 1.00 0.00 H new ATOM 1574 N GLN A 105 13.333 1.752 -0.614 1.00 0.00 N ATOM 1575 CA GLN A 105 14.250 2.859 -0.826 1.00 0.00 C ATOM 1576 C GLN A 105 13.547 4.190 -0.550 1.00 0.00 C ATOM 1577 O GLN A 105 12.413 4.398 -0.978 1.00 0.00 O ATOM 1578 CB GLN A 105 14.829 2.827 -2.241 1.00 0.00 C ATOM 1579 CG GLN A 105 16.340 3.069 -2.221 1.00 0.00 C ATOM 1580 CD GLN A 105 16.805 3.744 -3.513 1.00 0.00 C ATOM 1581 OE1 GLN A 105 17.093 3.102 -4.510 1.00 0.00 O ATOM 1582 NE2 GLN A 105 16.861 5.071 -3.441 1.00 0.00 N ATOM 0 H GLN A 105 13.416 1.298 0.296 1.00 0.00 H new ATOM 0 HA GLN A 105 15.080 2.758 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.618 1.862 -2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 105 14.344 3.587 -2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 105 16.600 3.693 -1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 105 16.862 2.121 -2.094 1.00 0.00 H new ATOM 0 HE21 GLN A 105 16.606 5.546 -2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.159 5.614 -4.252 1.00 0.00 H new ATOM 1591 N LEU A 106 14.251 5.057 0.163 1.00 0.00 N ATOM 1592 CA LEU A 106 13.709 6.362 0.501 1.00 0.00 C ATOM 1593 C LEU A 106 14.726 7.444 0.129 1.00 0.00 C ATOM 1594 O LEU A 106 15.530 7.857 0.963 1.00 0.00 O ATOM 1595 CB LEU A 106 13.279 6.401 1.968 1.00 0.00 C ATOM 1596 CG LEU A 106 11.771 6.415 2.226 1.00 0.00 C ATOM 1597 CD1 LEU A 106 11.392 5.411 3.317 1.00 0.00 C ATOM 1598 CD2 LEU A 106 11.284 7.828 2.553 1.00 0.00 C ATOM 0 H LEU A 106 15.192 4.881 0.516 1.00 0.00 H new ATOM 0 HA LEU A 106 12.806 6.560 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.706 5.535 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.715 7.287 2.430 1.00 0.00 H new ATOM 0 HG LEU A 106 11.265 6.104 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.315 5.441 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.684 4.408 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.907 5.668 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.209 7.810 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.794 8.191 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.501 8.491 1.715 1.00 0.00 H new ATOM 1610 N SER A 107 14.657 7.871 -1.123 1.00 0.00 N ATOM 1611 CA SER A 107 15.561 8.896 -1.616 1.00 0.00 C ATOM 1612 C SER A 107 15.724 9.998 -0.567 1.00 0.00 C ATOM 1613 O SER A 107 14.737 10.553 -0.087 1.00 0.00 O ATOM 1614 CB SER A 107 15.058 9.488 -2.934 1.00 0.00 C ATOM 1615 OG SER A 107 13.731 9.996 -2.819 1.00 0.00 O ATOM 0 H SER A 107 13.988 7.525 -1.811 1.00 0.00 H new ATOM 0 HA SER A 107 16.531 8.435 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 107 15.727 10.289 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.087 8.723 -3.710 1.00 0.00 H new ATOM 0 HG SER A 107 13.576 10.302 -1.901 1.00 0.00 H new ATOM 1621 N SER A 108 16.976 10.281 -0.241 1.00 0.00 N ATOM 1622 CA SER A 108 17.281 11.306 0.742 1.00 0.00 C ATOM 1623 C SER A 108 18.709 11.816 0.541 1.00 0.00 C ATOM 1624 O SER A 108 19.570 11.086 0.053 1.00 0.00 O ATOM 1625 CB SER A 108 17.102 10.775 2.165 1.00 0.00 C ATOM 1626 OG SER A 108 15.842 11.146 2.719 1.00 0.00 O ATOM 0 H SER A 108 17.792 9.818 -0.641 1.00 0.00 H new ATOM 0 HA SER A 108 16.584 12.132 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 108 17.190 9.689 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.903 11.157 2.798 1.00 0.00 H new ATOM 0 HG SER A 108 15.148 11.075 2.030 1.00 0.00 H new ATOM 1632 N HIS A 109 18.917 13.066 0.928 1.00 0.00 N ATOM 1633 CA HIS A 109 20.227 13.682 0.797 1.00 0.00 C ATOM 1634 C HIS A 109 20.805 13.959 2.186 1.00 0.00 C ATOM 1635 O HIS A 109 20.746 15.087 2.673 1.00 0.00 O ATOM 1636 CB HIS A 109 20.152 14.937 -0.075 1.00 0.00 C ATOM 1637 CG HIS A 109 21.357 15.840 0.043 1.00 0.00 C ATOM 1638 ND1 HIS A 109 21.265 17.164 0.433 1.00 0.00 N ATOM 1639 CD2 HIS A 109 22.680 15.595 -0.180 1.00 0.00 C ATOM 1640 CE1 HIS A 109 22.484 17.684 0.440 1.00 0.00 C ATOM 1641 NE2 HIS A 109 23.359 16.709 0.059 1.00 0.00 N ATOM 0 H HIS A 109 18.201 13.669 1.332 1.00 0.00 H new ATOM 0 HA HIS A 109 20.906 12.997 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 109 20.036 14.637 -1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.260 15.502 0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 109 23.103 14.653 -0.497 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.740 18.700 0.701 1.00 0.00 H new ATOM 0 HE2 HIS A 109 24.369 16.819 -0.028 1.00 0.00 H new ATOM 1649 N SER A 110 21.351 12.911 2.785 1.00 0.00 N ATOM 1650 CA SER A 110 21.940 13.028 4.108 1.00 0.00 C ATOM 1651 C SER A 110 23.196 13.898 4.047 1.00 0.00 C ATOM 1652 O SER A 110 23.715 14.172 2.966 1.00 0.00 O ATOM 1653 CB SER A 110 22.275 11.651 4.685 1.00 0.00 C ATOM 1654 OG SER A 110 23.550 11.186 4.250 1.00 0.00 O ATOM 0 H SER A 110 21.398 11.977 2.378 1.00 0.00 H new ATOM 0 HA SER A 110 21.211 13.500 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 110 22.259 11.700 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 110 21.508 10.937 4.387 1.00 0.00 H new ATOM 0 HG SER A 110 23.728 10.305 4.641 1.00 0.00 H new ATOM 1660 N ARG A 111 23.650 14.310 5.222 1.00 0.00 N ATOM 1661 CA ARG A 111 24.836 15.143 5.316 1.00 0.00 C ATOM 1662 C ARG A 111 25.244 15.324 6.780 1.00 0.00 C ATOM 1663 O ARG A 111 24.398 15.289 7.672 1.00 0.00 O ATOM 1664 CB ARG A 111 24.594 16.518 4.688 1.00 0.00 C ATOM 1665 CG ARG A 111 25.907 17.138 4.205 1.00 0.00 C ATOM 1666 CD ARG A 111 25.903 18.655 4.406 1.00 0.00 C ATOM 1667 NE ARG A 111 27.292 19.155 4.509 1.00 0.00 N ATOM 1668 CZ ARG A 111 27.619 20.452 4.594 1.00 0.00 C ATOM 1669 NH1 ARG A 111 26.659 21.387 4.589 1.00 0.00 N ATOM 1670 NH2 ARG A 111 28.906 20.814 4.683 1.00 0.00 N ATOM 0 H ARG A 111 23.217 14.082 6.117 1.00 0.00 H new ATOM 0 HA ARG A 111 25.637 14.642 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 111 23.903 16.423 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 111 24.123 17.177 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 111 26.743 16.698 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 111 26.056 16.908 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 111 25.394 19.139 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 111 25.348 18.909 5.309 1.00 0.00 H new ATOM 0 HE ARG A 111 28.048 18.470 4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 111 25.679 21.112 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 111 26.908 22.374 4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 111 29.637 20.103 4.686 1.00 0.00 H new ATOM 0 HH22 ARG A 111 29.155 21.801 4.748 1.00 0.00 H new ATOM 1684 N SER A 112 26.540 15.513 6.981 1.00 0.00 N ATOM 1685 CA SER A 112 27.069 15.699 8.321 1.00 0.00 C ATOM 1686 C SER A 112 28.285 16.627 8.279 1.00 0.00 C ATOM 1687 O SER A 112 28.974 16.708 7.263 1.00 0.00 O ATOM 1688 CB SER A 112 27.446 14.358 8.955 1.00 0.00 C ATOM 1689 OG SER A 112 26.331 13.733 9.585 1.00 0.00 O ATOM 0 H SER A 112 27.239 15.541 6.238 1.00 0.00 H new ATOM 0 HA SER A 112 26.293 16.155 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 112 27.848 13.695 8.189 1.00 0.00 H new ATOM 0 HB3 SER A 112 28.237 14.514 9.689 1.00 0.00 H new ATOM 0 HG SER A 112 25.501 14.048 9.169 1.00 0.00 H new ATOM 1695 N GLY A 113 28.512 17.303 9.395 1.00 0.00 N ATOM 1696 CA GLY A 113 29.633 18.222 9.499 1.00 0.00 C ATOM 1697 C GLY A 113 30.595 17.791 10.608 1.00 0.00 C ATOM 1698 O GLY A 113 30.517 16.667 11.100 1.00 0.00 O ATOM 0 H GLY A 113 27.939 17.233 10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 113 30.164 18.263 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 113 29.265 19.228 9.702 1.00 0.00 H new ATOM 1702 N PRO A 114 31.504 18.732 10.978 1.00 0.00 N ATOM 1703 CA PRO A 114 32.480 18.461 12.019 1.00 0.00 C ATOM 1704 C PRO A 114 31.829 18.496 13.404 1.00 0.00 C ATOM 1705 O PRO A 114 30.652 18.829 13.532 1.00 0.00 O ATOM 1706 CB PRO A 114 33.552 19.524 11.840 1.00 0.00 C ATOM 1707 CG PRO A 114 32.912 20.626 11.011 1.00 0.00 C ATOM 1708 CD PRO A 114 31.627 20.075 10.417 1.00 0.00 C ATOM 0 HA PRO A 114 32.911 17.463 11.942 1.00 0.00 H new ATOM 0 HB2 PRO A 114 33.888 19.906 12.804 1.00 0.00 H new ATOM 0 HB3 PRO A 114 34.428 19.115 11.336 1.00 0.00 H new ATOM 0 HG2 PRO A 114 32.703 21.498 11.631 1.00 0.00 H new ATOM 0 HG3 PRO A 114 33.589 20.952 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 114 30.771 20.695 10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 114 31.675 20.046 9.328 1.00 0.00 H new ATOM 1716 N SER A 115 32.624 18.147 14.405 1.00 0.00 N ATOM 1717 CA SER A 115 32.139 18.134 15.775 1.00 0.00 C ATOM 1718 C SER A 115 33.313 17.974 16.743 1.00 0.00 C ATOM 1719 O SER A 115 34.433 17.683 16.324 1.00 0.00 O ATOM 1720 CB SER A 115 31.119 17.015 15.988 1.00 0.00 C ATOM 1721 OG SER A 115 31.647 15.738 15.641 1.00 0.00 O ATOM 0 H SER A 115 33.600 17.871 14.295 1.00 0.00 H new ATOM 0 HA SER A 115 31.641 19.084 15.971 1.00 0.00 H new ATOM 0 HB2 SER A 115 30.804 17.006 17.031 1.00 0.00 H new ATOM 0 HB3 SER A 115 30.231 17.215 15.389 1.00 0.00 H new ATOM 0 HG SER A 115 30.966 15.050 15.793 1.00 0.00 H new ATOM 1727 N SER A 116 33.017 18.170 18.020 1.00 0.00 N ATOM 1728 CA SER A 116 34.033 18.050 19.051 1.00 0.00 C ATOM 1729 C SER A 116 34.461 16.589 19.197 1.00 0.00 C ATOM 1730 O SER A 116 33.799 15.690 18.681 1.00 0.00 O ATOM 1731 CB SER A 116 33.526 18.592 20.389 1.00 0.00 C ATOM 1732 OG SER A 116 34.595 18.890 21.283 1.00 0.00 O ATOM 0 H SER A 116 32.087 18.411 18.364 1.00 0.00 H new ATOM 0 HA SER A 116 34.896 18.646 18.752 1.00 0.00 H new ATOM 0 HB2 SER A 116 32.937 19.492 20.216 1.00 0.00 H new ATOM 0 HB3 SER A 116 32.862 17.860 20.849 1.00 0.00 H new ATOM 0 HG SER A 116 34.231 19.235 22.125 1.00 0.00 H new ATOM 1738 N GLY A 117 35.566 16.397 19.903 1.00 0.00 N ATOM 1739 CA GLY A 117 36.090 15.059 20.123 1.00 0.00 C ATOM 1740 C GLY A 117 35.220 14.286 21.116 1.00 0.00 C ATOM 1741 O GLY A 117 35.735 13.547 21.954 1.00 0.00 O ATOM 0 H GLY A 117 36.113 17.145 20.330 1.00 0.00 H new ATOM 0 HA2 GLY A 117 36.133 14.521 19.176 1.00 0.00 H new ATOM 0 HA3 GLY A 117 37.111 15.122 20.500 1.00 0.00 H new TER 1745 GLY A 117