USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 771 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 -10 ASN : amide:sc= -1.24 K(o=0.057,f=-6.8) USER MOD Set 1.2: A -13 THR OG1 : rot 102:sc= 1.3 USER MOD Set 2.1: A 69 ASN : amide:sc= -2.58! C(o=-1.3!,f=-6.9!) USER MOD Set 2.2: A 72 SER OG : rot 134:sc= 1.24 USER MOD Set 3.1: A 26 TYR OH : rot 5:sc= -0.0655 USER MOD Set 3.2: A 40 GLN : amide:sc= 1.49 K(o=1.4,f=-2.8!) USER MOD Set 4.1: A 23 GLN : amide:sc= -2.39! C(o=-4.6!,f=-9.5!) USER MOD Set 4.2: A 45 GLN : amide:sc= -2.19 K(o=-4.6,f=-14!) USER MOD Set 5.1: A 6 HIS : no HD1:sc= -1.22! C(o=0.083!,f=-8.6!) USER MOD Set 5.2: A 36 TYR OH : rot -7:sc= 1.3 USER MOD Single : A 9 SER OG : rot 100:sc= 1.26 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 MET CE :methyl -127:sc= -0.0223 (180deg=-0.716) USER MOD Single : A -6 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.12) USER MOD Single : A -8 TYR OH : rot 180:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 13 GLN : amide:sc= 0.73 K(o=0.73,f=-1.4) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -17:sc= 1.25 USER MOD Single : A 24 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 29 ASN : amide:sc= -2.5! C(o=-2.5!,f=-9.2!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0262 K(o=-0.026,f=-0.67) USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 1.8 (180deg=1.8) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 69:sc= -0.0263 USER MOD Single : A 47 GLN : amide:sc= 1.03 K(o=1,f=-0.16) USER MOD Single : A 58 MET CE :methyl 155:sc= -2.01 (180deg=-3.58!) USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= 0.981 (180deg=0.333) USER MOD Single : A 61 SER OG : rot 180:sc= 0.149 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 73 SER OG : rot 132:sc= -0.138 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 78 SER OG : rot 120:sc= 0.424 USER MOD Single : A 79 SER OG : rot -101:sc= 0.0934 USER MOD Single : A -12 THR OG1 : rot 180:sc= 0 USER MOD Single : A -17 TYR OH : rot 180:sc= 0 USER MOD Single : A -19 HIS : no HE2:sc= -0.24 K(o=-0.24,f=-0.89) USER MOD Single : A -20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -21 HIS : no HE2:sc= -0.108 K(o=-0.11,f=-2.9!) USER MOD Single : A -22 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.054) USER MOD Single : A -23 HIS : no HD1:sc=-0.00252 X(o=-0.0025,f=-0.0025) USER MOD Single : A -24 HIS : no HE2:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A -25 TYR OH : rot 180:sc= 0 USER MOD Single : A -26 TYR OH : rot 180:sc= 0 USER MOD Single : A -27 SER N :NH3+ -107:sc= 0.799 (180deg=0.0277) USER MOD Single : A -27 SER OG : rot 180:sc= 0.248 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -27 -22.405 13.665 45.007 1.00 0.00 N ATOM 2 CA SER A -27 -20.990 13.785 45.464 1.00 0.00 C ATOM 3 C SER A -27 -20.718 15.209 45.950 1.00 0.00 C ATOM 4 O SER A -27 -21.543 16.089 45.786 1.00 0.00 O ATOM 5 CB SER A -27 -20.127 13.455 44.237 1.00 0.00 C ATOM 6 OG SER A -27 -20.932 12.841 43.227 1.00 0.00 O ATOM 0 H1 SER A -27 -22.949 13.115 45.702 1.00 0.00 H new ATOM 0 H2 SER A -27 -22.821 14.613 44.913 1.00 0.00 H new ATOM 0 H3 SER A -27 -22.433 13.182 44.086 1.00 0.00 H new ATOM 0 HA SER A -27 -20.770 13.114 46.294 1.00 0.00 H new ATOM 0 HB2 SER A -27 -19.670 14.365 43.847 1.00 0.00 H new ATOM 0 HB3 SER A -27 -19.314 12.787 44.522 1.00 0.00 H new ATOM 0 HG SER A -27 -20.376 12.635 42.447 1.00 0.00 H new ATOM 14 N TYR A -26 -19.580 15.442 46.550 1.00 0.00 N ATOM 15 CA TYR A -26 -19.260 16.813 47.059 1.00 0.00 C ATOM 16 C TYR A -26 -19.546 17.862 45.982 1.00 0.00 C ATOM 17 O TYR A -26 -19.161 17.712 44.836 1.00 0.00 O ATOM 18 CB TYR A -26 -17.773 16.792 47.419 1.00 0.00 C ATOM 19 CG TYR A -26 -17.639 16.757 48.923 1.00 0.00 C ATOM 20 CD1 TYR A -26 -17.785 15.547 49.611 1.00 0.00 C ATOM 21 CD2 TYR A -26 -17.380 17.936 49.629 1.00 0.00 C ATOM 22 CE1 TYR A -26 -17.673 15.518 51.005 1.00 0.00 C ATOM 23 CE2 TYR A -26 -17.267 17.907 51.024 1.00 0.00 C ATOM 24 CZ TYR A -26 -17.414 16.698 51.713 1.00 0.00 C ATOM 25 OH TYR A -26 -17.306 16.675 53.091 1.00 0.00 O ATOM 0 H TYR A -26 -18.856 14.742 46.711 1.00 0.00 H new ATOM 0 HA TYR A -26 -19.871 17.074 47.923 1.00 0.00 H new ATOM 0 HB2 TYR A -26 -17.289 15.921 46.976 1.00 0.00 H new ATOM 0 HB3 TYR A -26 -17.274 17.673 47.016 1.00 0.00 H new ATOM 0 HD1 TYR A -26 -17.984 14.636 49.066 1.00 0.00 H new ATOM 0 HD2 TYR A -26 -17.267 18.869 49.098 1.00 0.00 H new ATOM 0 HE1 TYR A -26 -17.786 14.584 51.536 1.00 0.00 H new ATOM 0 HE2 TYR A -26 -17.066 18.818 51.569 1.00 0.00 H new ATOM 0 HH TYR A -26 -17.124 17.580 53.420 1.00 0.00 H new ATOM 35 N TYR A -25 -20.237 18.911 46.344 1.00 0.00 N ATOM 36 CA TYR A -25 -20.581 19.979 45.345 1.00 0.00 C ATOM 37 C TYR A -25 -19.346 20.818 44.985 1.00 0.00 C ATOM 38 O TYR A -25 -19.278 21.996 45.276 1.00 0.00 O ATOM 39 CB TYR A -25 -21.677 20.875 45.978 1.00 0.00 C ATOM 40 CG TYR A -25 -21.500 21.023 47.479 1.00 0.00 C ATOM 41 CD1 TYR A -25 -20.480 21.832 48.000 1.00 0.00 C ATOM 42 CD2 TYR A -25 -22.363 20.345 48.349 1.00 0.00 C ATOM 43 CE1 TYR A -25 -20.326 21.959 49.387 1.00 0.00 C ATOM 44 CE2 TYR A -25 -22.210 20.473 49.733 1.00 0.00 C ATOM 45 CZ TYR A -25 -21.192 21.277 50.254 1.00 0.00 C ATOM 46 OH TYR A -25 -21.040 21.397 51.619 1.00 0.00 O ATOM 0 H TYR A -25 -20.581 19.079 47.289 1.00 0.00 H new ATOM 0 HA TYR A -25 -20.940 19.524 44.422 1.00 0.00 H new ATOM 0 HB2 TYR A -25 -21.653 21.860 45.512 1.00 0.00 H new ATOM 0 HB3 TYR A -25 -22.658 20.448 45.770 1.00 0.00 H new ATOM 0 HD1 TYR A -25 -19.813 22.357 47.332 1.00 0.00 H new ATOM 0 HD2 TYR A -25 -23.149 19.721 47.950 1.00 0.00 H new ATOM 0 HE1 TYR A -25 -19.540 22.582 49.788 1.00 0.00 H new ATOM 0 HE2 TYR A -25 -22.879 19.950 50.400 1.00 0.00 H new ATOM 0 HH TYR A -25 -21.723 20.860 52.073 1.00 0.00 H new ATOM 56 N HIS A -24 -18.377 20.226 44.337 1.00 0.00 N ATOM 57 CA HIS A -24 -17.156 20.995 43.939 1.00 0.00 C ATOM 58 C HIS A -24 -17.144 21.165 42.417 1.00 0.00 C ATOM 59 O HIS A -24 -17.643 20.321 41.694 1.00 0.00 O ATOM 60 CB HIS A -24 -15.967 20.150 44.409 1.00 0.00 C ATOM 61 CG HIS A -24 -15.781 20.334 45.893 1.00 0.00 C ATOM 62 ND1 HIS A -24 -14.569 20.720 46.451 1.00 0.00 N ATOM 63 CD2 HIS A -24 -16.654 20.212 46.945 1.00 0.00 C ATOM 64 CE1 HIS A -24 -14.749 20.816 47.781 1.00 0.00 C ATOM 65 NE2 HIS A -24 -16.002 20.517 48.135 1.00 0.00 N ATOM 0 H HIS A -24 -18.376 19.243 44.065 1.00 0.00 H new ATOM 0 HA HIS A -24 -17.123 21.992 44.379 1.00 0.00 H new ATOM 0 HB2 HIS A -24 -16.140 19.098 44.180 1.00 0.00 H new ATOM 0 HB3 HIS A -24 -15.063 20.447 43.878 1.00 0.00 H new ATOM 0 HD1 HIS A -24 -13.701 20.898 45.945 1.00 0.00 H new ATOM 0 HD2 HIS A -24 -17.691 19.923 46.861 1.00 0.00 H new ATOM 0 HE1 HIS A -24 -13.974 21.100 48.478 1.00 0.00 H new ATOM 73 N HIS A -23 -16.591 22.252 41.925 1.00 0.00 N ATOM 74 CA HIS A -23 -16.551 22.505 40.443 1.00 0.00 C ATOM 75 C HIS A -23 -17.980 22.621 39.901 1.00 0.00 C ATOM 76 O HIS A -23 -18.504 21.704 39.293 1.00 0.00 O ATOM 77 CB HIS A -23 -15.829 21.306 39.805 1.00 0.00 C ATOM 78 CG HIS A -23 -14.477 21.119 40.437 1.00 0.00 C ATOM 79 ND1 HIS A -23 -14.154 19.987 41.168 1.00 0.00 N ATOM 80 CD2 HIS A -23 -13.351 21.904 40.447 1.00 0.00 C ATOM 81 CE1 HIS A -23 -12.881 20.121 41.582 1.00 0.00 C ATOM 82 NE2 HIS A -23 -12.345 21.273 41.170 1.00 0.00 N ATOM 0 H HIS A -23 -16.161 22.983 42.492 1.00 0.00 H new ATOM 0 HA HIS A -23 -16.030 23.434 40.212 1.00 0.00 H new ATOM 0 HB2 HIS A -23 -16.426 20.403 39.932 1.00 0.00 H new ATOM 0 HB3 HIS A -23 -15.718 21.467 38.733 1.00 0.00 H new ATOM 0 HD2 HIS A -23 -13.260 22.867 39.966 1.00 0.00 H new ATOM 0 HE1 HIS A -23 -12.356 19.387 42.175 1.00 0.00 H new ATOM 0 HE2 HIS A -23 -11.401 21.616 41.348 1.00 0.00 H new ATOM 90 N HIS A -22 -18.617 23.737 40.122 1.00 0.00 N ATOM 91 CA HIS A -22 -20.018 23.913 39.629 1.00 0.00 C ATOM 92 C HIS A -22 -20.035 24.020 38.101 1.00 0.00 C ATOM 93 O HIS A -22 -20.869 23.430 37.441 1.00 0.00 O ATOM 94 CB HIS A -22 -20.522 25.216 40.261 1.00 0.00 C ATOM 95 CG HIS A -22 -22.023 25.158 40.422 1.00 0.00 C ATOM 96 ND1 HIS A -22 -22.730 26.133 41.108 1.00 0.00 N ATOM 97 CD2 HIS A -22 -22.959 24.245 40.000 1.00 0.00 C ATOM 98 CE1 HIS A -22 -24.032 25.786 41.076 1.00 0.00 C ATOM 99 NE2 HIS A -22 -24.225 24.644 40.417 1.00 0.00 N ATOM 0 H HIS A -22 -18.230 24.537 40.623 1.00 0.00 H new ATOM 0 HA HIS A -22 -20.649 23.066 39.899 1.00 0.00 H new ATOM 0 HB2 HIS A -22 -20.048 25.368 41.231 1.00 0.00 H new ATOM 0 HB3 HIS A -22 -20.246 26.065 39.635 1.00 0.00 H new ATOM 0 HD2 HIS A -22 -22.744 23.353 39.431 1.00 0.00 H new ATOM 0 HE1 HIS A -22 -24.824 26.364 41.530 1.00 0.00 H new ATOM 0 HE2 HIS A -22 -25.111 24.165 40.253 1.00 0.00 H new ATOM 107 N HIS A -21 -19.121 24.767 37.536 1.00 0.00 N ATOM 108 CA HIS A -21 -19.087 24.905 36.051 1.00 0.00 C ATOM 109 C HIS A -21 -18.465 23.653 35.431 1.00 0.00 C ATOM 110 O HIS A -21 -17.272 23.578 35.213 1.00 0.00 O ATOM 111 CB HIS A -21 -18.226 26.139 35.771 1.00 0.00 C ATOM 112 CG HIS A -21 -18.578 26.682 34.415 1.00 0.00 C ATOM 113 ND1 HIS A -21 -18.051 26.159 33.245 1.00 0.00 N ATOM 114 CD2 HIS A -21 -19.414 27.700 34.028 1.00 0.00 C ATOM 115 CE1 HIS A -21 -18.572 26.855 32.219 1.00 0.00 C ATOM 116 NE2 HIS A -21 -19.410 27.805 32.642 1.00 0.00 N ATOM 0 H HIS A -21 -18.400 25.285 38.038 1.00 0.00 H new ATOM 0 HA HIS A -21 -20.083 25.015 35.623 1.00 0.00 H new ATOM 0 HB2 HIS A -21 -18.394 26.897 36.536 1.00 0.00 H new ATOM 0 HB3 HIS A -21 -17.169 25.877 35.809 1.00 0.00 H new ATOM 0 HD1 HIS A -21 -17.388 25.387 33.175 1.00 0.00 H new ATOM 0 HD2 HIS A -21 -19.987 28.324 34.698 1.00 0.00 H new ATOM 0 HE1 HIS A -21 -18.341 26.669 31.181 1.00 0.00 H new ATOM 124 N HIS A -20 -19.268 22.665 35.154 1.00 0.00 N ATOM 125 CA HIS A -20 -18.726 21.405 34.556 1.00 0.00 C ATOM 126 C HIS A -20 -18.199 21.650 33.136 1.00 0.00 C ATOM 127 O HIS A -20 -17.272 20.995 32.698 1.00 0.00 O ATOM 128 CB HIS A -20 -19.906 20.429 34.521 1.00 0.00 C ATOM 129 CG HIS A -20 -19.699 19.349 35.546 1.00 0.00 C ATOM 130 ND1 HIS A -20 -19.173 18.115 35.206 1.00 0.00 N ATOM 131 CD2 HIS A -20 -19.931 19.299 36.899 1.00 0.00 C ATOM 132 CE1 HIS A -20 -19.103 17.378 36.326 1.00 0.00 C ATOM 133 NE2 HIS A -20 -19.555 18.049 37.389 1.00 0.00 N ATOM 0 H HIS A -20 -20.275 22.671 35.314 1.00 0.00 H new ATOM 0 HA HIS A -20 -17.889 21.018 35.138 1.00 0.00 H new ATOM 0 HB2 HIS A -20 -20.836 20.960 34.721 1.00 0.00 H new ATOM 0 HB3 HIS A -20 -19.997 19.989 33.528 1.00 0.00 H new ATOM 0 HD2 HIS A -20 -20.341 20.103 37.491 1.00 0.00 H new ATOM 0 HE1 HIS A -20 -18.727 16.366 36.363 1.00 0.00 H new ATOM 0 HE2 HIS A -20 -19.613 17.718 38.352 1.00 0.00 H new ATOM 141 N HIS A -19 -18.774 22.576 32.408 1.00 0.00 N ATOM 142 CA HIS A -19 -18.287 22.837 31.016 1.00 0.00 C ATOM 143 C HIS A -19 -16.881 23.454 31.042 1.00 0.00 C ATOM 144 O HIS A -19 -16.555 24.249 31.909 1.00 0.00 O ATOM 145 CB HIS A -19 -19.289 23.815 30.397 1.00 0.00 C ATOM 146 CG HIS A -19 -19.191 23.735 28.897 1.00 0.00 C ATOM 147 ND1 HIS A -19 -18.170 24.347 28.183 1.00 0.00 N ATOM 148 CD2 HIS A -19 -19.972 23.105 27.961 1.00 0.00 C ATOM 149 CE1 HIS A -19 -18.363 24.074 26.881 1.00 0.00 C ATOM 150 NE2 HIS A -19 -19.448 23.319 26.690 1.00 0.00 N ATOM 0 H HIS A -19 -19.553 23.159 32.714 1.00 0.00 H new ATOM 0 HA HIS A -19 -18.219 21.915 30.439 1.00 0.00 H new ATOM 0 HB2 HIS A -19 -20.301 23.573 30.721 1.00 0.00 H new ATOM 0 HB3 HIS A -19 -19.081 24.830 30.734 1.00 0.00 H new ATOM 0 HD1 HIS A -19 -17.410 24.903 28.575 1.00 0.00 H new ATOM 0 HD2 HIS A -19 -20.860 22.530 28.178 1.00 0.00 H new ATOM 0 HE1 HIS A -19 -17.720 24.422 26.087 1.00 0.00 H new ATOM 158 N ASP A -18 -16.057 23.091 30.091 1.00 0.00 N ATOM 159 CA ASP A -18 -14.665 23.641 30.019 1.00 0.00 C ATOM 160 C ASP A -18 -14.376 24.099 28.581 1.00 0.00 C ATOM 161 O ASP A -18 -15.253 24.619 27.910 1.00 0.00 O ATOM 162 CB ASP A -18 -13.759 22.468 30.419 1.00 0.00 C ATOM 163 CG ASP A -18 -12.484 23.006 31.060 1.00 0.00 C ATOM 164 OD1 ASP A -18 -12.546 23.415 32.203 1.00 0.00 O ATOM 165 OD2 ASP A -18 -11.465 23.001 30.399 1.00 0.00 O ATOM 0 H ASP A -18 -16.291 22.429 29.351 1.00 0.00 H new ATOM 0 HA ASP A -18 -14.509 24.503 30.668 1.00 0.00 H new ATOM 0 HB2 ASP A -18 -14.281 21.813 31.116 1.00 0.00 H new ATOM 0 HB3 ASP A -18 -13.513 21.869 29.542 1.00 0.00 H new ATOM 170 N TYR A -17 -13.175 23.914 28.093 1.00 0.00 N ATOM 171 CA TYR A -17 -12.870 24.336 26.691 1.00 0.00 C ATOM 172 C TYR A -17 -13.413 23.285 25.716 1.00 0.00 C ATOM 173 O TYR A -17 -12.669 22.503 25.149 1.00 0.00 O ATOM 174 CB TYR A -17 -11.342 24.417 26.605 1.00 0.00 C ATOM 175 CG TYR A -17 -10.842 25.636 27.347 1.00 0.00 C ATOM 176 CD1 TYR A -17 -11.566 26.833 27.307 1.00 0.00 C ATOM 177 CD2 TYR A -17 -9.649 25.567 28.075 1.00 0.00 C ATOM 178 CE1 TYR A -17 -11.101 27.956 27.994 1.00 0.00 C ATOM 179 CE2 TYR A -17 -9.183 26.692 28.761 1.00 0.00 C ATOM 180 CZ TYR A -17 -9.909 27.885 28.721 1.00 0.00 C ATOM 181 OH TYR A -17 -9.449 28.993 29.400 1.00 0.00 O ATOM 0 H TYR A -17 -12.397 23.492 28.600 1.00 0.00 H new ATOM 0 HA TYR A -17 -13.328 25.291 26.435 1.00 0.00 H new ATOM 0 HB2 TYR A -17 -10.898 23.516 27.029 1.00 0.00 H new ATOM 0 HB3 TYR A -17 -11.031 24.464 25.561 1.00 0.00 H new ATOM 0 HD1 TYR A -17 -12.486 26.888 26.744 1.00 0.00 H new ATOM 0 HD2 TYR A -17 -9.088 24.644 28.107 1.00 0.00 H new ATOM 0 HE1 TYR A -17 -11.662 28.879 27.964 1.00 0.00 H new ATOM 0 HE2 TYR A -17 -8.262 26.639 29.322 1.00 0.00 H new ATOM 0 HH TYR A -17 -8.609 28.773 29.854 1.00 0.00 H new ATOM 191 N ASP A -16 -14.705 23.267 25.521 1.00 0.00 N ATOM 192 CA ASP A -16 -15.326 22.289 24.593 1.00 0.00 C ATOM 193 C ASP A -16 -15.798 23.024 23.346 1.00 0.00 C ATOM 194 O ASP A -16 -16.697 23.846 23.395 1.00 0.00 O ATOM 195 CB ASP A -16 -16.513 21.695 25.357 1.00 0.00 C ATOM 196 CG ASP A -16 -16.682 20.228 24.972 1.00 0.00 C ATOM 197 OD1 ASP A -16 -15.988 19.400 25.536 1.00 0.00 O ATOM 198 OD2 ASP A -16 -17.508 19.951 24.125 1.00 0.00 O ATOM 0 H ASP A -16 -15.363 23.901 25.975 1.00 0.00 H new ATOM 0 HA ASP A -16 -14.635 21.508 24.277 1.00 0.00 H new ATOM 0 HB2 ASP A -16 -16.349 21.784 26.431 1.00 0.00 H new ATOM 0 HB3 ASP A -16 -17.422 22.250 25.126 1.00 0.00 H new ATOM 203 N ILE A -15 -15.175 22.753 22.245 1.00 0.00 N ATOM 204 CA ILE A -15 -15.548 23.437 20.972 1.00 0.00 C ATOM 205 C ILE A -15 -16.755 22.735 20.332 1.00 0.00 C ATOM 206 O ILE A -15 -16.656 21.591 19.935 1.00 0.00 O ATOM 207 CB ILE A -15 -14.322 23.330 20.051 1.00 0.00 C ATOM 208 CG1 ILE A -15 -13.041 23.662 20.825 1.00 0.00 C ATOM 209 CG2 ILE A -15 -14.472 24.334 18.908 1.00 0.00 C ATOM 210 CD1 ILE A -15 -11.821 23.406 19.934 1.00 0.00 C ATOM 0 H ILE A -15 -14.413 22.080 22.163 1.00 0.00 H new ATOM 0 HA ILE A -15 -15.824 24.477 21.144 1.00 0.00 H new ATOM 0 HB ILE A -15 -14.257 22.312 19.666 1.00 0.00 H new ATOM 0 HG12 ILE A -15 -13.058 24.704 21.146 1.00 0.00 H new ATOM 0 HG13 ILE A -15 -12.980 23.052 21.726 1.00 0.00 H new ATOM 0 HG21 ILE A -15 -13.607 24.266 18.248 1.00 0.00 H new ATOM 0 HG22 ILE A -15 -15.377 24.110 18.344 1.00 0.00 H new ATOM 0 HG23 ILE A -15 -14.539 25.343 19.316 1.00 0.00 H new ATOM 0 HD11 ILE A -15 -10.911 23.643 20.486 1.00 0.00 H new ATOM 0 HD12 ILE A -15 -11.802 22.358 19.635 1.00 0.00 H new ATOM 0 HD13 ILE A -15 -11.881 24.035 19.046 1.00 0.00 H new ATOM 222 N PRO A -14 -17.851 23.454 20.241 1.00 0.00 N ATOM 223 CA PRO A -14 -19.086 22.897 19.630 1.00 0.00 C ATOM 224 C PRO A -14 -18.881 22.704 18.123 1.00 0.00 C ATOM 225 O PRO A -14 -19.219 23.559 17.325 1.00 0.00 O ATOM 226 CB PRO A -14 -20.149 23.947 19.925 1.00 0.00 C ATOM 227 CG PRO A -14 -19.393 25.220 20.128 1.00 0.00 C ATOM 228 CD PRO A -14 -18.045 24.842 20.690 1.00 0.00 C ATOM 0 HA PRO A -14 -19.364 21.919 20.024 1.00 0.00 H new ATOM 0 HB2 PRO A -14 -20.856 24.035 19.100 1.00 0.00 H new ATOM 0 HB3 PRO A -14 -20.726 23.685 20.812 1.00 0.00 H new ATOM 0 HG2 PRO A -14 -19.282 25.758 19.187 1.00 0.00 H new ATOM 0 HG3 PRO A -14 -19.925 25.881 20.812 1.00 0.00 H new ATOM 0 HD2 PRO A -14 -17.258 25.497 20.315 1.00 0.00 H new ATOM 0 HD3 PRO A -14 -18.030 24.916 21.777 1.00 0.00 H new ATOM 236 N THR A -13 -18.316 21.600 17.737 1.00 0.00 N ATOM 237 CA THR A -13 -18.064 21.346 16.287 1.00 0.00 C ATOM 238 C THR A -13 -19.020 20.270 15.755 1.00 0.00 C ATOM 239 O THR A -13 -19.056 19.158 16.249 1.00 0.00 O ATOM 240 CB THR A -13 -16.606 20.880 16.214 1.00 0.00 C ATOM 241 OG1 THR A -13 -16.415 19.747 17.059 1.00 0.00 O ATOM 242 CG2 THR A -13 -15.682 22.007 16.671 1.00 0.00 C ATOM 0 H THR A -13 -18.014 20.854 18.364 1.00 0.00 H new ATOM 0 HA THR A -13 -18.233 22.232 15.675 1.00 0.00 H new ATOM 0 HB THR A -13 -16.373 20.609 15.184 1.00 0.00 H new ATOM 0 HG1 THR A -13 -16.400 18.932 16.515 1.00 0.00 H new ATOM 0 HG21 THR A -13 -14.646 21.672 16.618 1.00 0.00 H new ATOM 0 HG22 THR A -13 -15.817 22.873 16.024 1.00 0.00 H new ATOM 0 HG23 THR A -13 -15.923 22.281 17.698 1.00 0.00 H new ATOM 250 N THR A -12 -19.804 20.593 14.761 1.00 0.00 N ATOM 251 CA THR A -12 -20.761 19.596 14.201 1.00 0.00 C ATOM 252 C THR A -12 -20.219 18.990 12.897 1.00 0.00 C ATOM 253 O THR A -12 -20.012 17.796 12.794 1.00 0.00 O ATOM 254 CB THR A -12 -22.050 20.384 13.930 1.00 0.00 C ATOM 255 OG1 THR A -12 -22.152 21.477 14.836 1.00 0.00 O ATOM 256 CG2 THR A -12 -23.250 19.468 14.120 1.00 0.00 C ATOM 0 H THR A -12 -19.822 21.508 14.311 1.00 0.00 H new ATOM 0 HA THR A -12 -20.924 18.765 14.887 1.00 0.00 H new ATOM 0 HB THR A -12 -22.028 20.763 12.908 1.00 0.00 H new ATOM 0 HG1 THR A -12 -22.976 21.976 14.655 1.00 0.00 H new ATOM 0 HG21 THR A -12 -24.167 20.025 13.928 1.00 0.00 H new ATOM 0 HG22 THR A -12 -23.182 18.631 13.426 1.00 0.00 H new ATOM 0 HG23 THR A -12 -23.262 19.091 15.143 1.00 0.00 H new ATOM 264 N GLU A -11 -19.999 19.811 11.898 1.00 0.00 N ATOM 265 CA GLU A -11 -19.489 19.300 10.587 1.00 0.00 C ATOM 266 C GLU A -11 -18.093 18.688 10.716 1.00 0.00 C ATOM 267 O GLU A -11 -17.630 17.990 9.834 1.00 0.00 O ATOM 268 CB GLU A -11 -19.463 20.511 9.648 1.00 0.00 C ATOM 269 CG GLU A -11 -20.882 21.058 9.471 1.00 0.00 C ATOM 270 CD GLU A -11 -21.428 20.619 8.120 1.00 0.00 C ATOM 271 OE1 GLU A -11 -21.067 21.224 7.130 1.00 0.00 O ATOM 272 OE2 GLU A -11 -22.202 19.683 8.097 1.00 0.00 O ATOM 0 H GLU A -11 -20.152 20.819 11.935 1.00 0.00 H new ATOM 0 HA GLU A -11 -20.130 18.504 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A -11 -18.813 21.285 10.055 1.00 0.00 H new ATOM 0 HB3 GLU A -11 -19.050 20.224 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A -11 -21.526 20.694 10.272 1.00 0.00 H new ATOM 0 HG3 GLU A -11 -20.875 22.146 9.537 1.00 0.00 H new ATOM 279 N ASN A -10 -17.424 18.929 11.799 1.00 0.00 N ATOM 280 CA ASN A -10 -16.062 18.339 11.963 1.00 0.00 C ATOM 281 C ASN A -10 -16.158 16.890 12.441 1.00 0.00 C ATOM 282 O ASN A -10 -15.171 16.174 12.474 1.00 0.00 O ATOM 283 CB ASN A -10 -15.333 19.228 12.983 1.00 0.00 C ATOM 284 CG ASN A -10 -15.227 18.528 14.342 1.00 0.00 C ATOM 285 OD1 ASN A -10 -16.226 18.257 14.980 1.00 0.00 O ATOM 286 ND2 ASN A -10 -14.054 18.224 14.817 1.00 0.00 N ATOM 0 H ASN A -10 -17.751 19.503 12.576 1.00 0.00 H new ATOM 0 HA ASN A -10 -15.517 18.311 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A -10 -14.336 19.468 12.615 1.00 0.00 H new ATOM 0 HB3 ASN A -10 -15.867 20.171 13.096 1.00 0.00 H new ATOM 0 HD21 ASN A -10 -13.975 17.760 15.722 1.00 0.00 H new ATOM 0 HD22 ASN A -10 -13.214 18.450 14.284 1.00 0.00 H new ATOM 293 N LEU A -9 -17.334 16.450 12.795 1.00 0.00 N ATOM 294 CA LEU A -9 -17.500 15.044 13.263 1.00 0.00 C ATOM 295 C LEU A -9 -17.217 14.085 12.110 1.00 0.00 C ATOM 296 O LEU A -9 -16.349 13.238 12.204 1.00 0.00 O ATOM 297 CB LEU A -9 -18.957 14.915 13.736 1.00 0.00 C ATOM 298 CG LEU A -9 -19.019 14.903 15.272 1.00 0.00 C ATOM 299 CD1 LEU A -9 -18.145 13.775 15.823 1.00 0.00 C ATOM 300 CD2 LEU A -9 -18.520 16.239 15.822 1.00 0.00 C ATOM 0 H LEU A -9 -18.190 17.005 12.780 1.00 0.00 H new ATOM 0 HA LEU A -9 -16.810 14.799 14.070 1.00 0.00 H new ATOM 0 HB2 LEU A -9 -19.548 15.745 13.348 1.00 0.00 H new ATOM 0 HB3 LEU A -9 -19.395 13.999 13.340 1.00 0.00 H new ATOM 0 HG LEU A -9 -20.053 14.744 15.580 1.00 0.00 H new ATOM 0 HD11 LEU A -9 -18.195 13.774 16.912 1.00 0.00 H new ATOM 0 HD12 LEU A -9 -18.503 12.818 15.443 1.00 0.00 H new ATOM 0 HD13 LEU A -9 -17.113 13.927 15.508 1.00 0.00 H new ATOM 0 HD21 LEU A -9 -18.566 16.224 16.911 1.00 0.00 H new ATOM 0 HD22 LEU A -9 -17.490 16.401 15.505 1.00 0.00 H new ATOM 0 HD23 LEU A -9 -19.147 17.046 15.443 1.00 0.00 H new ATOM 312 N TYR A -8 -17.916 14.223 11.010 1.00 0.00 N ATOM 313 CA TYR A -8 -17.634 13.306 9.852 1.00 0.00 C ATOM 314 C TYR A -8 -16.306 13.679 9.200 1.00 0.00 C ATOM 315 O TYR A -8 -15.759 12.935 8.410 1.00 0.00 O ATOM 316 CB TYR A -8 -18.790 13.384 8.817 1.00 0.00 C ATOM 317 CG TYR A -8 -19.758 14.526 9.082 1.00 0.00 C ATOM 318 CD1 TYR A -8 -20.880 14.325 9.898 1.00 0.00 C ATOM 319 CD2 TYR A -8 -19.543 15.781 8.495 1.00 0.00 C ATOM 320 CE1 TYR A -8 -21.783 15.373 10.123 1.00 0.00 C ATOM 321 CE2 TYR A -8 -20.444 16.829 8.726 1.00 0.00 C ATOM 322 CZ TYR A -8 -21.564 16.626 9.539 1.00 0.00 C ATOM 323 OH TYR A -8 -22.463 17.656 9.763 1.00 0.00 O ATOM 0 H TYR A -8 -18.653 14.912 10.861 1.00 0.00 H new ATOM 0 HA TYR A -8 -17.565 12.282 10.218 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -18.368 13.499 7.819 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -19.339 12.442 8.824 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -21.049 13.361 10.354 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -18.681 15.940 7.864 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -22.649 15.213 10.748 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -20.273 17.796 8.275 1.00 0.00 H new ATOM 0 HH TYR A -8 -22.165 18.459 9.287 1.00 0.00 H new ATOM 333 N PHE A -7 -15.770 14.808 9.558 1.00 0.00 N ATOM 334 CA PHE A -7 -14.452 15.235 9.006 1.00 0.00 C ATOM 335 C PHE A -7 -13.350 14.387 9.651 1.00 0.00 C ATOM 336 O PHE A -7 -12.311 14.149 9.061 1.00 0.00 O ATOM 337 CB PHE A -7 -14.297 16.714 9.390 1.00 0.00 C ATOM 338 CG PHE A -7 -13.103 17.297 8.675 1.00 0.00 C ATOM 339 CD1 PHE A -7 -13.182 17.606 7.314 1.00 0.00 C ATOM 340 CD2 PHE A -7 -11.915 17.531 9.380 1.00 0.00 C ATOM 341 CE1 PHE A -7 -12.075 18.150 6.655 1.00 0.00 C ATOM 342 CE2 PHE A -7 -10.808 18.075 8.719 1.00 0.00 C ATOM 343 CZ PHE A -7 -10.887 18.384 7.356 1.00 0.00 C ATOM 0 H PHE A -7 -16.191 15.463 10.217 1.00 0.00 H new ATOM 0 HA PHE A -7 -14.386 15.107 7.926 1.00 0.00 H new ATOM 0 HB2 PHE A -7 -15.199 17.266 9.124 1.00 0.00 H new ATOM 0 HB3 PHE A -7 -14.171 16.809 10.468 1.00 0.00 H new ATOM 0 HD1 PHE A -7 -14.098 17.425 6.771 1.00 0.00 H new ATOM 0 HD2 PHE A -7 -11.854 17.292 10.431 1.00 0.00 H new ATOM 0 HE1 PHE A -7 -12.137 18.390 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A -7 -9.892 18.257 9.261 1.00 0.00 H new ATOM 0 HZ PHE A -7 -10.032 18.803 6.846 1.00 0.00 H new ATOM 353 N GLN A -6 -13.578 13.919 10.858 1.00 0.00 N ATOM 354 CA GLN A -6 -12.563 13.066 11.545 1.00 0.00 C ATOM 355 C GLN A -6 -13.061 11.616 11.625 1.00 0.00 C ATOM 356 O GLN A -6 -12.588 10.829 12.424 1.00 0.00 O ATOM 357 CB GLN A -6 -12.406 13.668 12.947 1.00 0.00 C ATOM 358 CG GLN A -6 -11.837 15.086 12.844 1.00 0.00 C ATOM 359 CD GLN A -6 -10.355 15.017 12.473 1.00 0.00 C ATOM 360 OE1 GLN A -6 -9.502 15.061 13.338 1.00 0.00 O ATOM 361 NE2 GLN A -6 -10.005 14.915 11.221 1.00 0.00 N ATOM 0 H GLN A -6 -14.427 14.094 11.395 1.00 0.00 H new ATOM 0 HA GLN A -6 -11.613 13.046 11.012 1.00 0.00 H new ATOM 0 HB2 GLN A -6 -13.371 13.690 13.453 1.00 0.00 H new ATOM 0 HB3 GLN A -6 -11.745 13.044 13.548 1.00 0.00 H new ATOM 0 HG2 GLN A -6 -12.384 15.655 12.093 1.00 0.00 H new ATOM 0 HG3 GLN A -6 -11.961 15.609 13.792 1.00 0.00 H new ATOM 0 HE21 GLN A -6 -10.719 14.878 10.493 1.00 0.00 H new ATOM 0 HE22 GLN A -6 -9.017 14.872 10.969 1.00 0.00 H new ATOM 370 N GLY A -5 -14.004 11.257 10.791 1.00 0.00 N ATOM 371 CA GLY A -5 -14.534 9.860 10.789 1.00 0.00 C ATOM 372 C GLY A -5 -14.182 9.230 9.448 1.00 0.00 C ATOM 373 O GLY A -5 -13.198 8.525 9.322 1.00 0.00 O ATOM 0 H GLY A -5 -14.433 11.878 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A -5 -14.099 9.285 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A -5 -15.614 9.861 10.939 1.00 0.00 H new ATOM 377 N ALA A -4 -14.954 9.511 8.431 1.00 0.00 N ATOM 378 CA ALA A -4 -14.634 8.957 7.082 1.00 0.00 C ATOM 379 C ALA A -4 -13.518 9.810 6.469 1.00 0.00 C ATOM 380 O ALA A -4 -13.308 10.936 6.880 1.00 0.00 O ATOM 381 CB ALA A -4 -15.923 9.083 6.263 1.00 0.00 C ATOM 0 H ALA A -4 -15.788 10.097 8.475 1.00 0.00 H new ATOM 0 HA ALA A -4 -14.298 7.921 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -15.756 8.693 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -16.718 8.514 6.746 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -16.214 10.132 6.201 1.00 0.00 H new ATOM 387 N MET A -3 -12.798 9.304 5.503 1.00 0.00 N ATOM 388 CA MET A -3 -11.704 10.131 4.906 1.00 0.00 C ATOM 389 C MET A -3 -12.289 11.351 4.193 1.00 0.00 C ATOM 390 O MET A -3 -13.451 11.376 3.818 1.00 0.00 O ATOM 391 CB MET A -3 -10.969 9.242 3.907 1.00 0.00 C ATOM 392 CG MET A -3 -10.126 8.166 4.619 1.00 0.00 C ATOM 393 SD MET A -3 -10.070 8.437 6.411 1.00 0.00 S ATOM 394 CE MET A -3 -8.736 7.260 6.766 1.00 0.00 C ATOM 0 H MET A -3 -12.915 8.372 5.106 1.00 0.00 H new ATOM 0 HA MET A -3 -11.027 10.493 5.679 1.00 0.00 H new ATOM 0 HB2 MET A -3 -11.691 8.762 3.247 1.00 0.00 H new ATOM 0 HB3 MET A -3 -10.322 9.856 3.280 1.00 0.00 H new ATOM 0 HG2 MET A -3 -10.544 7.181 4.413 1.00 0.00 H new ATOM 0 HG3 MET A -3 -9.113 8.173 4.218 1.00 0.00 H new ATOM 0 HE1 MET A -3 -9.058 6.569 7.546 1.00 0.00 H new ATOM 0 HE2 MET A -3 -8.495 6.700 5.862 1.00 0.00 H new ATOM 0 HE3 MET A -3 -7.853 7.802 7.104 1.00 0.00 H new ATOM 404 N GLY A -2 -11.487 12.362 4.012 1.00 0.00 N ATOM 405 CA GLY A -2 -11.963 13.603 3.339 1.00 0.00 C ATOM 406 C GLY A -2 -12.002 13.408 1.822 1.00 0.00 C ATOM 407 O GLY A -2 -11.208 13.980 1.100 1.00 0.00 O ATOM 0 H GLY A -2 -10.510 12.382 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.957 13.864 3.704 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -11.304 14.435 3.588 1.00 0.00 H new ATOM 411 N SER A -1 -12.934 12.623 1.337 1.00 0.00 N ATOM 412 CA SER A -1 -13.062 12.394 -0.137 1.00 0.00 C ATOM 413 C SER A -1 -11.721 11.990 -0.768 1.00 0.00 C ATOM 414 O SER A -1 -11.080 12.769 -1.457 1.00 0.00 O ATOM 415 CB SER A -1 -13.553 13.731 -0.699 1.00 0.00 C ATOM 416 OG SER A -1 -14.955 13.854 -0.466 1.00 0.00 O ATOM 0 H SER A -1 -13.619 12.126 1.906 1.00 0.00 H new ATOM 0 HA SER A -1 -13.746 11.575 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A -1 -13.020 14.555 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A -1 -13.344 13.788 -1.767 1.00 0.00 H new ATOM 0 HG SER A -1 -15.272 14.710 -0.823 1.00 0.00 H new ATOM 422 N GLY A 1 -11.304 10.769 -0.565 1.00 0.00 N ATOM 423 CA GLY A 1 -10.024 10.304 -1.171 1.00 0.00 C ATOM 424 C GLY A 1 -10.302 9.062 -2.021 1.00 0.00 C ATOM 425 O GLY A 1 -11.161 8.266 -1.684 1.00 0.00 O ATOM 0 H GLY A 1 -11.796 10.073 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.589 11.092 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.299 10.072 -0.390 1.00 0.00 H new ATOM 429 N PRO A 2 -9.578 8.931 -3.107 1.00 0.00 N ATOM 430 CA PRO A 2 -9.772 7.767 -4.019 1.00 0.00 C ATOM 431 C PRO A 2 -9.303 6.459 -3.370 1.00 0.00 C ATOM 432 O PRO A 2 -9.852 5.404 -3.631 1.00 0.00 O ATOM 433 CB PRO A 2 -8.920 8.120 -5.237 1.00 0.00 C ATOM 434 CG PRO A 2 -7.888 9.073 -4.726 1.00 0.00 C ATOM 435 CD PRO A 2 -8.522 9.834 -3.590 1.00 0.00 C ATOM 0 HA PRO A 2 -10.820 7.600 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.458 7.231 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.524 8.576 -6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.002 8.537 -4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.566 9.753 -5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.799 10.058 -2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.933 10.786 -3.927 1.00 0.00 H new ATOM 443 N CYS A 3 -8.301 6.510 -2.528 1.00 0.00 N ATOM 444 CA CYS A 3 -7.816 5.255 -1.876 1.00 0.00 C ATOM 445 C CYS A 3 -8.853 4.756 -0.856 1.00 0.00 C ATOM 446 O CYS A 3 -9.056 3.566 -0.723 1.00 0.00 O ATOM 447 CB CYS A 3 -6.476 5.607 -1.207 1.00 0.00 C ATOM 448 SG CYS A 3 -6.335 4.792 0.409 1.00 0.00 S ATOM 0 H CYS A 3 -7.801 7.359 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.677 4.447 -2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.651 5.299 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.398 6.687 -1.084 1.00 0.00 H new ATOM 453 N ARG A 4 -9.518 5.639 -0.137 1.00 0.00 N ATOM 454 CA ARG A 4 -10.532 5.156 0.857 1.00 0.00 C ATOM 455 C ARG A 4 -11.615 4.352 0.130 1.00 0.00 C ATOM 456 O ARG A 4 -11.964 3.259 0.538 1.00 0.00 O ATOM 457 CB ARG A 4 -11.131 6.417 1.491 1.00 0.00 C ATOM 458 CG ARG A 4 -12.312 6.035 2.392 1.00 0.00 C ATOM 459 CD ARG A 4 -11.834 5.137 3.549 1.00 0.00 C ATOM 460 NE ARG A 4 -12.093 3.730 3.107 1.00 0.00 N ATOM 461 CZ ARG A 4 -11.766 2.720 3.871 1.00 0.00 C ATOM 462 NH1 ARG A 4 -10.548 2.624 4.341 1.00 0.00 N ATOM 463 NH2 ARG A 4 -12.662 1.819 4.171 1.00 0.00 N ATOM 0 H ARG A 4 -9.404 6.651 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.091 4.508 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.371 6.938 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.463 7.104 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.780 6.935 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.070 5.514 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.775 5.294 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.374 5.364 4.469 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.529 3.557 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.855 3.336 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.292 1.837 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.612 1.905 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.412 1.029 4.766 1.00 0.00 H new ATOM 477 N ARG A 5 -12.125 4.867 -0.956 1.00 0.00 N ATOM 478 CA ARG A 5 -13.158 4.104 -1.718 1.00 0.00 C ATOM 479 C ARG A 5 -12.493 2.852 -2.286 1.00 0.00 C ATOM 480 O ARG A 5 -13.085 1.787 -2.347 1.00 0.00 O ATOM 481 CB ARG A 5 -13.631 5.038 -2.833 1.00 0.00 C ATOM 482 CG ARG A 5 -14.111 6.360 -2.215 1.00 0.00 C ATOM 483 CD ARG A 5 -15.572 6.629 -2.585 1.00 0.00 C ATOM 484 NE ARG A 5 -16.331 5.417 -2.149 1.00 0.00 N ATOM 485 CZ ARG A 5 -17.315 4.967 -2.879 1.00 0.00 C ATOM 486 NH1 ARG A 5 -18.513 5.458 -2.711 1.00 0.00 N ATOM 487 NH2 ARG A 5 -17.095 4.057 -3.796 1.00 0.00 N ATOM 0 H ARG A 5 -11.875 5.775 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.005 3.792 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.819 5.225 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.439 4.571 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.006 6.320 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.485 7.180 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.944 7.524 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.680 6.794 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.080 4.942 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.673 6.186 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.289 5.114 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.152 3.697 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.867 3.708 -4.364 1.00 0.00 H new ATOM 501 N HIS A 6 -11.244 2.972 -2.664 1.00 0.00 N ATOM 502 CA HIS A 6 -10.495 1.797 -3.192 1.00 0.00 C ATOM 503 C HIS A 6 -10.357 0.753 -2.080 1.00 0.00 C ATOM 504 O HIS A 6 -10.585 -0.418 -2.292 1.00 0.00 O ATOM 505 CB HIS A 6 -9.121 2.346 -3.591 1.00 0.00 C ATOM 506 CG HIS A 6 -8.547 1.534 -4.721 1.00 0.00 C ATOM 507 ND1 HIS A 6 -7.537 2.021 -5.530 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.816 0.264 -5.178 1.00 0.00 C ATOM 509 CE1 HIS A 6 -7.232 1.061 -6.420 1.00 0.00 C ATOM 510 NE2 HIS A 6 -7.982 -0.032 -6.250 1.00 0.00 N ATOM 0 H HIS A 6 -10.711 3.841 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.993 1.319 -4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.211 3.390 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.447 2.319 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.561 -0.401 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.472 1.161 -7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.949 -0.897 -6.790 1.00 0.00 H new ATOM 518 N LEU A 7 -10.009 1.181 -0.888 1.00 0.00 N ATOM 519 CA LEU A 7 -9.874 0.223 0.258 1.00 0.00 C ATOM 520 C LEU A 7 -11.195 -0.522 0.473 1.00 0.00 C ATOM 521 O LEU A 7 -11.217 -1.728 0.609 1.00 0.00 O ATOM 522 CB LEU A 7 -9.553 1.097 1.477 1.00 0.00 C ATOM 523 CG LEU A 7 -8.047 1.062 1.760 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.688 2.170 2.745 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.668 -0.287 2.375 1.00 0.00 C ATOM 0 H LEU A 7 -9.812 2.155 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.103 -0.527 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.874 2.123 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.104 0.740 2.347 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.506 1.205 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.617 2.145 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.955 3.137 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.236 2.021 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.597 -0.308 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.214 -0.428 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.923 -1.088 1.681 1.00 0.00 H new ATOM 537 N ASP A 8 -12.300 0.185 0.500 1.00 0.00 N ATOM 538 CA ASP A 8 -13.620 -0.493 0.697 1.00 0.00 C ATOM 539 C ASP A 8 -13.847 -1.513 -0.422 1.00 0.00 C ATOM 540 O ASP A 8 -14.230 -2.643 -0.183 1.00 0.00 O ATOM 541 CB ASP A 8 -14.675 0.614 0.605 1.00 0.00 C ATOM 542 CG ASP A 8 -14.969 1.174 1.994 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.570 0.467 2.782 1.00 0.00 O ATOM 544 OD2 ASP A 8 -14.593 2.302 2.248 1.00 0.00 O ATOM 0 H ASP A 8 -12.345 1.199 0.395 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.666 -1.019 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.322 1.411 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.590 0.220 0.162 1.00 0.00 H new ATOM 549 N SER A 9 -13.598 -1.111 -1.640 1.00 0.00 N ATOM 550 CA SER A 9 -13.772 -2.027 -2.803 1.00 0.00 C ATOM 551 C SER A 9 -12.725 -3.141 -2.736 1.00 0.00 C ATOM 552 O SER A 9 -13.048 -4.307 -2.855 1.00 0.00 O ATOM 553 CB SER A 9 -13.569 -1.151 -4.044 1.00 0.00 C ATOM 554 OG SER A 9 -14.285 0.080 -3.884 1.00 0.00 O ATOM 0 H SER A 9 -13.277 -0.173 -1.881 1.00 0.00 H new ATOM 0 HA SER A 9 -14.750 -2.507 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.508 -0.950 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.920 -1.675 -4.933 1.00 0.00 H new ATOM 0 HG SER A 9 -13.664 0.786 -3.608 1.00 0.00 H new ATOM 560 N VAL A 10 -11.477 -2.799 -2.508 1.00 0.00 N ATOM 561 CA VAL A 10 -10.425 -3.858 -2.403 1.00 0.00 C ATOM 562 C VAL A 10 -10.800 -4.795 -1.259 1.00 0.00 C ATOM 563 O VAL A 10 -10.685 -5.992 -1.372 1.00 0.00 O ATOM 564 CB VAL A 10 -9.118 -3.116 -2.097 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.045 -4.106 -1.638 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.633 -2.402 -3.359 1.00 0.00 C ATOM 0 H VAL A 10 -11.146 -1.841 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.325 -4.454 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.300 -2.390 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.122 -3.568 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.384 -4.618 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.864 -4.838 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.704 -1.874 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.460 -3.134 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.389 -1.688 -3.686 1.00 0.00 H new ATOM 576 N LEU A 11 -11.279 -4.256 -0.171 1.00 0.00 N ATOM 577 CA LEU A 11 -11.697 -5.125 0.965 1.00 0.00 C ATOM 578 C LEU A 11 -12.773 -6.092 0.466 1.00 0.00 C ATOM 579 O LEU A 11 -12.712 -7.280 0.714 1.00 0.00 O ATOM 580 CB LEU A 11 -12.270 -4.173 2.022 1.00 0.00 C ATOM 581 CG LEU A 11 -12.825 -4.981 3.201 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.692 -5.750 3.881 1.00 0.00 C ATOM 583 CD2 LEU A 11 -13.474 -4.032 4.207 1.00 0.00 C ATOM 0 H LEU A 11 -11.399 -3.254 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.877 -5.714 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.494 -3.491 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.059 -3.561 1.585 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.569 -5.689 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.092 -6.322 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.232 -6.429 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.943 -5.047 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.869 -4.605 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.730 -3.323 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.287 -3.490 3.724 1.00 0.00 H new ATOM 595 N GLN A 12 -13.747 -5.596 -0.258 1.00 0.00 N ATOM 596 CA GLN A 12 -14.814 -6.504 -0.792 1.00 0.00 C ATOM 597 C GLN A 12 -14.219 -7.417 -1.874 1.00 0.00 C ATOM 598 O GLN A 12 -14.485 -8.604 -1.929 1.00 0.00 O ATOM 599 CB GLN A 12 -15.870 -5.588 -1.421 1.00 0.00 C ATOM 600 CG GLN A 12 -16.452 -4.642 -0.364 1.00 0.00 C ATOM 601 CD GLN A 12 -17.074 -3.429 -1.063 1.00 0.00 C ATOM 602 OE1 GLN A 12 -16.777 -3.155 -2.211 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.926 -2.686 -0.422 1.00 0.00 N ATOM 0 H GLN A 12 -13.851 -4.611 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.238 -7.132 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.424 -5.010 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.667 -6.188 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.205 -5.160 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.670 -4.319 0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.177 -2.912 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.343 -1.876 -0.881 1.00 0.00 H new ATOM 612 N GLN A 13 -13.425 -6.849 -2.739 1.00 0.00 N ATOM 613 CA GLN A 13 -12.800 -7.630 -3.854 1.00 0.00 C ATOM 614 C GLN A 13 -11.722 -8.596 -3.350 1.00 0.00 C ATOM 615 O GLN A 13 -11.514 -9.637 -3.923 1.00 0.00 O ATOM 616 CB GLN A 13 -12.151 -6.577 -4.760 1.00 0.00 C ATOM 617 CG GLN A 13 -13.164 -6.034 -5.770 1.00 0.00 C ATOM 618 CD GLN A 13 -12.649 -4.701 -6.313 1.00 0.00 C ATOM 619 OE1 GLN A 13 -13.070 -3.649 -5.877 1.00 0.00 O ATOM 620 NE2 GLN A 13 -11.738 -4.700 -7.244 1.00 0.00 N ATOM 0 H GLN A 13 -13.176 -5.860 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.548 -8.239 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.760 -5.760 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.304 -7.016 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.304 -6.745 -6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.136 -5.898 -5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.383 -5.583 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.379 -3.816 -7.606 1.00 0.00 H new ATOM 629 N LEU A 14 -11.002 -8.240 -2.321 1.00 0.00 N ATOM 630 CA LEU A 14 -9.882 -9.111 -1.837 1.00 0.00 C ATOM 631 C LEU A 14 -10.297 -10.573 -1.660 1.00 0.00 C ATOM 632 O LEU A 14 -9.565 -11.461 -2.038 1.00 0.00 O ATOM 633 CB LEU A 14 -9.461 -8.527 -0.484 1.00 0.00 C ATOM 634 CG LEU A 14 -7.991 -8.118 -0.544 1.00 0.00 C ATOM 635 CD1 LEU A 14 -7.618 -7.351 0.728 1.00 0.00 C ATOM 636 CD2 LEU A 14 -7.121 -9.374 -0.663 1.00 0.00 C ATOM 0 H LEU A 14 -11.139 -7.380 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.075 -9.118 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.080 -7.664 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.613 -9.263 0.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.826 -7.477 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.568 -7.060 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.239 -6.459 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.781 -7.988 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.071 -9.086 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.286 -10.015 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.386 -9.916 -1.571 1.00 0.00 H new ATOM 648 N GLN A 15 -11.432 -10.845 -1.085 1.00 0.00 N ATOM 649 CA GLN A 15 -11.815 -12.280 -0.896 1.00 0.00 C ATOM 650 C GLN A 15 -12.124 -12.958 -2.231 1.00 0.00 C ATOM 651 O GLN A 15 -12.037 -14.164 -2.352 1.00 0.00 O ATOM 652 CB GLN A 15 -13.049 -12.278 0.012 1.00 0.00 C ATOM 653 CG GLN A 15 -12.664 -11.787 1.409 1.00 0.00 C ATOM 654 CD GLN A 15 -13.521 -12.513 2.451 1.00 0.00 C ATOM 655 OE1 GLN A 15 -14.622 -12.093 2.747 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.067 -13.595 3.016 1.00 0.00 N ATOM 0 H GLN A 15 -12.102 -10.157 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.994 -12.844 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.821 -11.634 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.469 -13.282 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.607 -11.975 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.814 -10.710 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.143 -13.950 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.635 -14.088 3.705 1.00 0.00 H new ATOM 665 N THR A 16 -12.487 -12.208 -3.224 1.00 0.00 N ATOM 666 CA THR A 16 -12.806 -12.816 -4.539 1.00 0.00 C ATOM 667 C THR A 16 -11.681 -12.552 -5.553 1.00 0.00 C ATOM 668 O THR A 16 -11.471 -13.315 -6.481 1.00 0.00 O ATOM 669 CB THR A 16 -14.071 -12.071 -4.962 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.207 -12.645 -4.330 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.217 -12.150 -6.475 1.00 0.00 C ATOM 0 H THR A 16 -12.578 -11.193 -3.183 1.00 0.00 H new ATOM 0 HA THR A 16 -12.926 -13.898 -4.488 1.00 0.00 H new ATOM 0 HB THR A 16 -13.996 -11.026 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.014 -12.161 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.119 -11.620 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.348 -11.693 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.289 -13.194 -6.780 1.00 0.00 H new ATOM 679 N GLU A 17 -10.998 -11.454 -5.409 1.00 0.00 N ATOM 680 CA GLU A 17 -9.937 -11.090 -6.396 1.00 0.00 C ATOM 681 C GLU A 17 -8.548 -11.559 -5.975 1.00 0.00 C ATOM 682 O GLU A 17 -7.561 -11.044 -6.453 1.00 0.00 O ATOM 683 CB GLU A 17 -9.986 -9.565 -6.484 1.00 0.00 C ATOM 684 CG GLU A 17 -11.364 -9.132 -6.990 1.00 0.00 C ATOM 685 CD GLU A 17 -11.220 -8.377 -8.306 1.00 0.00 C ATOM 686 OE1 GLU A 17 -11.172 -9.024 -9.339 1.00 0.00 O ATOM 687 OE2 GLU A 17 -11.161 -7.165 -8.266 1.00 0.00 O ATOM 0 H GLU A 17 -11.127 -10.787 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.121 -11.577 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.791 -9.126 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.208 -9.203 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.001 -10.006 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.851 -8.498 -6.249 1.00 0.00 H new ATOM 694 N VAL A 18 -8.436 -12.528 -5.112 1.00 0.00 N ATOM 695 CA VAL A 18 -7.058 -12.990 -4.723 1.00 0.00 C ATOM 696 C VAL A 18 -6.250 -13.316 -5.988 1.00 0.00 C ATOM 697 O VAL A 18 -5.073 -13.034 -6.095 1.00 0.00 O ATOM 698 CB VAL A 18 -7.242 -14.253 -3.858 1.00 0.00 C ATOM 699 CG1 VAL A 18 -7.817 -13.871 -2.495 1.00 0.00 C ATOM 700 CG2 VAL A 18 -8.186 -15.258 -4.540 1.00 0.00 C ATOM 0 H VAL A 18 -9.212 -13.015 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.518 -12.222 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.265 -14.720 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.944 -14.768 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.134 -13.187 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.783 -13.385 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.298 -16.139 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.161 -14.795 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.769 -15.553 -5.503 1.00 0.00 H new ATOM 710 N TYR A 19 -6.916 -13.895 -6.929 1.00 0.00 N ATOM 711 CA TYR A 19 -6.316 -14.310 -8.247 1.00 0.00 C ATOM 712 C TYR A 19 -5.657 -13.202 -9.065 1.00 0.00 C ATOM 713 O TYR A 19 -5.319 -13.420 -10.213 1.00 0.00 O ATOM 714 CB TYR A 19 -7.466 -14.944 -9.024 1.00 0.00 C ATOM 715 CG TYR A 19 -8.428 -13.893 -9.575 1.00 0.00 C ATOM 716 CD1 TYR A 19 -8.502 -12.609 -9.010 1.00 0.00 C ATOM 717 CD2 TYR A 19 -9.257 -14.219 -10.656 1.00 0.00 C ATOM 718 CE1 TYR A 19 -9.392 -11.664 -9.527 1.00 0.00 C ATOM 719 CE2 TYR A 19 -10.149 -13.270 -11.169 1.00 0.00 C ATOM 720 CZ TYR A 19 -10.217 -11.993 -10.604 1.00 0.00 C ATOM 721 OH TYR A 19 -11.101 -11.059 -11.109 1.00 0.00 O ATOM 0 H TYR A 19 -7.908 -14.117 -6.848 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.484 -14.986 -8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.065 -15.536 -9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.010 -15.629 -8.373 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.869 -12.352 -8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.208 -15.205 -11.095 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.442 -10.677 -9.092 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.786 -13.525 -12.003 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.220 -10.336 -10.458 1.00 0.00 H new ATOM 731 N ARG A 20 -5.515 -12.033 -8.538 1.00 0.00 N ATOM 732 CA ARG A 20 -4.907 -10.921 -9.354 1.00 0.00 C ATOM 733 C ARG A 20 -3.654 -11.474 -10.030 1.00 0.00 C ATOM 734 O ARG A 20 -3.578 -11.517 -11.246 1.00 0.00 O ATOM 735 CB ARG A 20 -4.589 -9.801 -8.363 1.00 0.00 C ATOM 736 CG ARG A 20 -5.882 -9.035 -8.009 1.00 0.00 C ATOM 737 CD ARG A 20 -6.707 -8.767 -9.274 1.00 0.00 C ATOM 738 NE ARG A 20 -7.763 -7.797 -8.861 1.00 0.00 N ATOM 739 CZ ARG A 20 -8.224 -6.935 -9.725 1.00 0.00 C ATOM 740 NH1 ARG A 20 -7.639 -5.768 -9.859 1.00 0.00 N ATOM 741 NH2 ARG A 20 -9.277 -7.238 -10.436 1.00 0.00 N ATOM 0 H ARG A 20 -5.785 -11.782 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.562 -10.536 -10.136 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.143 -10.218 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.857 -9.118 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.472 -9.613 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.632 -8.092 -7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.085 -8.355 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.147 -9.687 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.123 -7.808 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.826 -5.537 -9.288 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.997 -5.092 -10.534 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.732 -8.143 -10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.644 -6.570 -11.114 1.00 0.00 H new ATOM 755 N GLY A 21 -2.769 -12.064 -9.285 1.00 0.00 N ATOM 756 CA GLY A 21 -1.667 -12.803 -9.967 1.00 0.00 C ATOM 757 C GLY A 21 -1.924 -14.221 -9.488 1.00 0.00 C ATOM 758 O GLY A 21 -2.645 -14.965 -10.125 1.00 0.00 O ATOM 0 H GLY A 21 -2.754 -12.071 -8.265 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.724 -12.718 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.683 -12.440 -9.671 1.00 0.00 H new ATOM 762 N ALA A 22 -1.565 -14.517 -8.259 1.00 0.00 N ATOM 763 CA ALA A 22 -2.052 -15.775 -7.641 1.00 0.00 C ATOM 764 C ALA A 22 -3.050 -15.320 -6.577 1.00 0.00 C ATOM 765 O ALA A 22 -4.245 -15.419 -6.701 1.00 0.00 O ATOM 766 CB ALA A 22 -0.859 -16.473 -7.018 1.00 0.00 C ATOM 0 H ALA A 22 -0.962 -13.943 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.520 -16.468 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.184 -17.404 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.121 -16.691 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.413 -15.827 -6.262 1.00 0.00 H new ATOM 772 N GLN A 23 -2.471 -14.727 -5.539 1.00 0.00 N ATOM 773 CA GLN A 23 -3.211 -14.095 -4.400 1.00 0.00 C ATOM 774 C GLN A 23 -2.683 -12.642 -4.170 1.00 0.00 C ATOM 775 O GLN A 23 -2.989 -12.015 -3.176 1.00 0.00 O ATOM 776 CB GLN A 23 -2.947 -15.004 -3.195 1.00 0.00 C ATOM 777 CG GLN A 23 -3.623 -16.360 -3.437 1.00 0.00 C ATOM 778 CD GLN A 23 -4.197 -16.897 -2.124 1.00 0.00 C ATOM 779 OE1 GLN A 23 -3.852 -17.980 -1.699 1.00 0.00 O ATOM 780 NE2 GLN A 23 -5.065 -16.187 -1.457 1.00 0.00 N ATOM 0 H GLN A 23 -1.458 -14.659 -5.443 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.281 -14.004 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.875 -15.138 -3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.336 -14.546 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.418 -16.253 -4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.902 -17.068 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.358 -15.276 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.451 -16.543 -0.582 1.00 0.00 H new ATOM 789 N THR A 24 -1.817 -12.169 -5.045 1.00 0.00 N ATOM 790 CA THR A 24 -1.118 -10.825 -4.894 1.00 0.00 C ATOM 791 C THR A 24 -2.002 -9.600 -5.160 1.00 0.00 C ATOM 792 O THR A 24 -1.632 -8.694 -5.893 1.00 0.00 O ATOM 793 CB THR A 24 0.076 -10.867 -5.843 1.00 0.00 C ATOM 794 OG1 THR A 24 0.809 -9.649 -5.763 1.00 0.00 O ATOM 795 CG2 THR A 24 -0.394 -11.098 -7.277 1.00 0.00 C ATOM 0 H THR A 24 -1.552 -12.673 -5.891 1.00 0.00 H new ATOM 0 HA THR A 24 -0.824 -10.695 -3.853 1.00 0.00 H new ATOM 0 HB THR A 24 0.725 -11.692 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.533 -9.745 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.469 -11.126 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.929 -12.046 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.058 -10.288 -7.577 1.00 0.00 H new ATOM 803 N LEU A 25 -3.152 -9.550 -4.581 1.00 0.00 N ATOM 804 CA LEU A 25 -4.037 -8.373 -4.804 1.00 0.00 C ATOM 805 C LEU A 25 -3.466 -7.188 -4.015 1.00 0.00 C ATOM 806 O LEU A 25 -3.143 -7.287 -2.842 1.00 0.00 O ATOM 807 CB LEU A 25 -5.416 -8.780 -4.266 1.00 0.00 C ATOM 808 CG LEU A 25 -6.377 -7.573 -4.225 1.00 0.00 C ATOM 809 CD1 LEU A 25 -6.194 -6.684 -5.462 1.00 0.00 C ATOM 810 CD2 LEU A 25 -7.820 -8.080 -4.184 1.00 0.00 C ATOM 0 H LEU A 25 -3.527 -10.268 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.107 -8.081 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.838 -9.563 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.310 -9.198 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.155 -6.984 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.883 -5.841 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.169 -6.314 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.400 -7.265 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.503 -7.231 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.021 -8.677 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.965 -8.693 -3.295 1.00 0.00 H new ATOM 822 N TYR A 26 -3.296 -6.090 -4.693 1.00 0.00 N ATOM 823 CA TYR A 26 -2.701 -4.863 -4.072 1.00 0.00 C ATOM 824 C TYR A 26 -3.708 -4.149 -3.147 1.00 0.00 C ATOM 825 O TYR A 26 -4.874 -4.008 -3.467 1.00 0.00 O ATOM 826 CB TYR A 26 -2.304 -3.963 -5.265 1.00 0.00 C ATOM 827 CG TYR A 26 -2.558 -2.502 -4.934 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.597 -1.761 -4.229 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.760 -1.896 -5.321 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.840 -0.418 -3.914 1.00 0.00 C ATOM 831 CE2 TYR A 26 -4.004 -0.556 -5.007 1.00 0.00 C ATOM 832 CZ TYR A 26 -3.046 0.185 -4.305 1.00 0.00 C ATOM 833 OH TYR A 26 -3.299 1.510 -4.000 1.00 0.00 O ATOM 0 H TYR A 26 -3.549 -5.984 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.847 -5.106 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.251 -4.110 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.875 -4.247 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.670 -2.226 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.500 -2.466 -5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.101 0.153 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.932 -0.092 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.505 1.908 -3.585 1.00 0.00 H new ATOM 843 N VAL A 27 -3.244 -3.678 -2.012 1.00 0.00 N ATOM 844 CA VAL A 27 -4.138 -2.944 -1.066 1.00 0.00 C ATOM 845 C VAL A 27 -3.658 -1.481 -0.950 1.00 0.00 C ATOM 846 O VAL A 27 -2.466 -1.226 -0.861 1.00 0.00 O ATOM 847 CB VAL A 27 -4.017 -3.691 0.273 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.516 -2.806 1.421 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.859 -4.971 0.221 1.00 0.00 C ATOM 0 H VAL A 27 -2.277 -3.773 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.177 -2.913 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.970 -3.941 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.425 -3.347 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.918 -1.896 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.561 -2.545 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.774 -5.501 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.903 -4.713 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.500 -5.610 -0.585 1.00 0.00 H new ATOM 859 N PRO A 28 -4.603 -0.574 -0.981 1.00 0.00 N ATOM 860 CA PRO A 28 -4.297 0.876 -0.904 1.00 0.00 C ATOM 861 C PRO A 28 -4.218 1.376 0.552 1.00 0.00 C ATOM 862 O PRO A 28 -4.867 0.848 1.429 1.00 0.00 O ATOM 863 CB PRO A 28 -5.479 1.512 -1.618 1.00 0.00 C ATOM 864 CG PRO A 28 -6.613 0.536 -1.496 1.00 0.00 C ATOM 865 CD PRO A 28 -6.044 -0.805 -1.092 1.00 0.00 C ATOM 0 HA PRO A 28 -3.329 1.119 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.738 2.469 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.243 1.707 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.333 0.882 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.146 0.453 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.465 -1.146 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.267 -1.571 -1.835 1.00 0.00 H new ATOM 873 N ASN A 29 -3.431 2.400 0.800 1.00 0.00 N ATOM 874 CA ASN A 29 -3.307 2.963 2.190 1.00 0.00 C ATOM 875 C ASN A 29 -3.926 4.361 2.234 1.00 0.00 C ATOM 876 O ASN A 29 -3.766 5.137 1.312 1.00 0.00 O ATOM 877 CB ASN A 29 -1.802 3.038 2.475 1.00 0.00 C ATOM 878 CG ASN A 29 -1.317 4.489 2.405 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.373 5.213 3.384 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.834 4.947 1.287 1.00 0.00 N ATOM 0 H ASN A 29 -2.865 2.874 0.096 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.822 2.349 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.591 2.625 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.258 2.431 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.503 5.910 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.786 4.343 0.467 1.00 0.00 H new ATOM 887 N CYS A 30 -4.625 4.699 3.279 1.00 0.00 N ATOM 888 CA CYS A 30 -5.240 6.058 3.332 1.00 0.00 C ATOM 889 C CYS A 30 -4.953 6.817 4.614 1.00 0.00 C ATOM 890 O CYS A 30 -4.861 6.279 5.700 1.00 0.00 O ATOM 891 CB CYS A 30 -6.747 5.842 3.282 1.00 0.00 C ATOM 892 SG CYS A 30 -7.410 6.002 1.607 1.00 0.00 S ATOM 0 H CYS A 30 -4.797 4.105 4.090 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.829 6.643 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.983 4.851 3.670 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.237 6.565 3.935 1.00 0.00 H new ATOM 897 N ASP A 31 -4.932 8.096 4.450 1.00 0.00 N ATOM 898 CA ASP A 31 -4.794 9.052 5.572 1.00 0.00 C ATOM 899 C ASP A 31 -6.188 9.668 5.754 1.00 0.00 C ATOM 900 O ASP A 31 -7.093 9.366 4.989 1.00 0.00 O ATOM 901 CB ASP A 31 -3.768 10.095 5.103 1.00 0.00 C ATOM 902 CG ASP A 31 -4.043 11.454 5.737 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.697 11.628 6.891 1.00 0.00 O ATOM 904 OD2 ASP A 31 -4.601 12.295 5.060 1.00 0.00 O ATOM 0 H ASP A 31 -5.009 8.543 3.537 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.461 8.618 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.763 9.765 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.803 10.182 4.017 1.00 0.00 H new ATOM 909 N HIS A 32 -6.391 10.514 6.726 1.00 0.00 N ATOM 910 CA HIS A 32 -7.749 11.140 6.907 1.00 0.00 C ATOM 911 C HIS A 32 -8.281 11.699 5.567 1.00 0.00 C ATOM 912 O HIS A 32 -9.466 11.860 5.393 1.00 0.00 O ATOM 913 CB HIS A 32 -7.553 12.299 7.901 1.00 0.00 C ATOM 914 CG HIS A 32 -7.003 11.785 9.204 1.00 0.00 C ATOM 915 ND1 HIS A 32 -5.660 11.884 9.535 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.608 11.170 10.268 1.00 0.00 C ATOM 917 CE1 HIS A 32 -5.505 11.340 10.755 1.00 0.00 C ATOM 918 NE2 HIS A 32 -6.663 10.889 11.247 1.00 0.00 N ATOM 0 H HIS A 32 -5.685 10.803 7.403 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.469 10.405 7.266 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.873 13.038 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.504 12.803 8.074 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.661 10.938 10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.560 11.275 11.274 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.819 10.436 12.147 1.00 0.00 H new ATOM 926 N ARG A 33 -7.413 12.001 4.628 1.00 0.00 N ATOM 927 CA ARG A 33 -7.849 12.555 3.312 1.00 0.00 C ATOM 928 C ARG A 33 -8.282 11.432 2.330 1.00 0.00 C ATOM 929 O ARG A 33 -8.675 11.697 1.206 1.00 0.00 O ATOM 930 CB ARG A 33 -6.595 13.295 2.824 1.00 0.00 C ATOM 931 CG ARG A 33 -6.612 13.440 1.308 1.00 0.00 C ATOM 932 CD ARG A 33 -7.733 14.400 0.909 1.00 0.00 C ATOM 933 NE ARG A 33 -7.263 15.750 1.336 1.00 0.00 N ATOM 934 CZ ARG A 33 -6.609 16.508 0.496 1.00 0.00 C ATOM 935 NH1 ARG A 33 -7.265 17.226 -0.377 1.00 0.00 N ATOM 936 NH2 ARG A 33 -5.300 16.527 0.526 1.00 0.00 N ATOM 0 H ARG A 33 -6.404 11.883 4.724 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.724 13.201 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.544 14.280 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.702 12.751 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.652 13.816 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.765 12.468 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.915 14.368 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.670 14.136 1.399 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.452 16.081 2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.284 17.194 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.758 17.819 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.797 15.952 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.783 17.116 -0.127 1.00 0.00 H new ATOM 950 N GLY A 34 -8.241 10.189 2.736 1.00 0.00 N ATOM 951 CA GLY A 34 -8.664 9.077 1.822 1.00 0.00 C ATOM 952 C GLY A 34 -7.699 8.904 0.637 1.00 0.00 C ATOM 953 O GLY A 34 -7.921 8.061 -0.216 1.00 0.00 O ATOM 0 H GLY A 34 -7.933 9.892 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.716 8.145 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.667 9.279 1.446 1.00 0.00 H new ATOM 957 N PHE A 35 -6.637 9.659 0.560 1.00 0.00 N ATOM 958 CA PHE A 35 -5.689 9.475 -0.577 1.00 0.00 C ATOM 959 C PHE A 35 -4.634 8.428 -0.189 1.00 0.00 C ATOM 960 O PHE A 35 -4.538 8.042 0.962 1.00 0.00 O ATOM 961 CB PHE A 35 -5.038 10.844 -0.793 1.00 0.00 C ATOM 962 CG PHE A 35 -5.613 11.481 -2.037 1.00 0.00 C ATOM 963 CD1 PHE A 35 -5.039 11.221 -3.289 1.00 0.00 C ATOM 964 CD2 PHE A 35 -6.721 12.332 -1.938 1.00 0.00 C ATOM 965 CE1 PHE A 35 -5.576 11.815 -4.438 1.00 0.00 C ATOM 966 CE2 PHE A 35 -7.255 12.925 -3.087 1.00 0.00 C ATOM 967 CZ PHE A 35 -6.681 12.665 -4.337 1.00 0.00 C ATOM 0 H PHE A 35 -6.386 10.388 1.227 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.183 9.126 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.215 11.484 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.958 10.734 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.185 10.564 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.164 12.531 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.136 11.616 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.109 13.582 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.093 13.122 -5.225 1.00 0.00 H new ATOM 977 N TYR A 36 -3.828 7.984 -1.124 1.00 0.00 N ATOM 978 CA TYR A 36 -2.761 6.986 -0.781 1.00 0.00 C ATOM 979 C TYR A 36 -1.736 7.747 0.043 1.00 0.00 C ATOM 980 O TYR A 36 -0.901 8.434 -0.506 1.00 0.00 O ATOM 981 CB TYR A 36 -2.162 6.524 -2.123 1.00 0.00 C ATOM 982 CG TYR A 36 -3.260 5.969 -3.008 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.592 4.612 -2.943 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.952 6.818 -3.883 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.614 4.104 -3.754 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.974 6.307 -4.687 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.304 4.951 -4.622 1.00 0.00 C ATOM 988 OH TYR A 36 -6.315 4.449 -5.414 1.00 0.00 O ATOM 0 H TYR A 36 -3.861 8.266 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.114 6.119 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.669 7.360 -2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.401 5.763 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.061 3.957 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.695 7.866 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.869 3.055 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.509 6.961 -5.359 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.344 3.473 -5.328 1.00 0.00 H new ATOM 998 N ARG A 37 -1.836 7.734 1.351 1.00 0.00 N ATOM 999 CA ARG A 37 -0.890 8.595 2.105 1.00 0.00 C ATOM 1000 C ARG A 37 0.530 8.054 2.277 1.00 0.00 C ATOM 1001 O ARG A 37 1.477 8.655 1.809 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.534 8.784 3.468 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.667 9.735 4.290 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.687 11.147 3.681 1.00 0.00 C ATOM 1005 NE ARG A 37 0.497 11.209 2.768 1.00 0.00 N ATOM 1006 CZ ARG A 37 1.700 11.406 3.251 1.00 0.00 C ATOM 1007 NH1 ARG A 37 1.959 12.490 3.935 1.00 0.00 N ATOM 1008 NH2 ARG A 37 2.638 10.522 3.041 1.00 0.00 N ATOM 0 H ARG A 37 -2.500 7.190 1.902 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.740 9.513 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.540 9.189 3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.630 7.825 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.030 9.771 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.357 9.363 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.613 11.325 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.624 11.910 4.457 1.00 0.00 H new ATOM 0 HE ARG A 37 0.367 11.097 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.226 13.181 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.894 12.644 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.434 9.680 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.575 10.673 3.416 1.00 0.00 H new ATOM 1022 N LYS A 38 0.701 6.982 2.977 1.00 0.00 N ATOM 1023 CA LYS A 38 2.093 6.480 3.202 1.00 0.00 C ATOM 1024 C LYS A 38 2.567 5.342 2.284 1.00 0.00 C ATOM 1025 O LYS A 38 3.657 5.390 1.749 1.00 0.00 O ATOM 1026 CB LYS A 38 2.079 5.997 4.651 1.00 0.00 C ATOM 1027 CG LYS A 38 3.515 5.916 5.168 1.00 0.00 C ATOM 1028 CD LYS A 38 3.538 5.273 6.558 1.00 0.00 C ATOM 1029 CE LYS A 38 3.285 6.342 7.629 1.00 0.00 C ATOM 1030 NZ LYS A 38 4.006 5.869 8.840 1.00 0.00 N ATOM 0 H LYS A 38 -0.043 6.430 3.403 1.00 0.00 H new ATOM 0 HA LYS A 38 2.795 7.283 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.495 6.680 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.601 5.020 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.126 5.333 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.950 6.914 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.778 4.495 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.501 4.793 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.655 7.315 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.219 6.456 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.833 6.527 9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.664 4.922 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.026 5.826 8.642 1.00 0.00 H new ATOM 1044 N ARG A 39 1.811 4.282 2.182 1.00 0.00 N ATOM 1045 CA ARG A 39 2.288 3.107 1.387 1.00 0.00 C ATOM 1046 C ARG A 39 1.398 2.709 0.195 1.00 0.00 C ATOM 1047 O ARG A 39 0.276 3.143 0.035 1.00 0.00 O ATOM 1048 CB ARG A 39 2.331 1.966 2.421 1.00 0.00 C ATOM 1049 CG ARG A 39 1.060 1.114 2.299 1.00 0.00 C ATOM 1050 CD ARG A 39 0.640 0.547 3.656 1.00 0.00 C ATOM 1051 NE ARG A 39 1.843 -0.143 4.197 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.951 -0.337 5.481 1.00 0.00 C ATOM 1053 NH1 ARG A 39 1.026 -1.004 6.121 1.00 0.00 N ATOM 1054 NH2 ARG A 39 2.969 0.156 6.128 1.00 0.00 N ATOM 0 H ARG A 39 0.891 4.176 2.610 1.00 0.00 H new ATOM 0 HA ARG A 39 3.243 3.342 0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.213 1.347 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.411 2.376 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.252 1.719 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.233 0.297 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.310 1.341 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.194 -0.147 3.549 1.00 0.00 H new ATOM 0 HE ARG A 39 2.578 -0.462 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.220 -1.372 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.110 -1.156 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.679 0.692 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.056 0.006 7.133 1.00 0.00 H new ATOM 1068 N GLN A 40 1.904 1.777 -0.563 1.00 0.00 N ATOM 1069 CA GLN A 40 1.174 1.142 -1.703 1.00 0.00 C ATOM 1070 C GLN A 40 1.609 -0.326 -1.644 1.00 0.00 C ATOM 1071 O GLN A 40 2.799 -0.586 -1.613 1.00 0.00 O ATOM 1072 CB GLN A 40 1.688 1.827 -2.972 1.00 0.00 C ATOM 1073 CG GLN A 40 1.060 3.218 -3.083 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.180 3.145 -3.964 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.210 2.672 -3.533 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.128 3.591 -5.184 1.00 0.00 N ATOM 0 H GLN A 40 2.846 1.409 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 40 0.088 1.226 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.775 1.907 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.437 1.230 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.795 3.589 -2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.778 3.921 -3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.739 3.989 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.954 3.543 -5.780 1.00 0.00 H new ATOM 1085 N CYS A 41 0.726 -1.293 -1.555 1.00 0.00 N ATOM 1086 CA CYS A 41 1.263 -2.688 -1.421 1.00 0.00 C ATOM 1087 C CYS A 41 0.639 -3.720 -2.342 1.00 0.00 C ATOM 1088 O CYS A 41 -0.563 -3.820 -2.484 1.00 0.00 O ATOM 1089 CB CYS A 41 0.980 -3.126 0.028 1.00 0.00 C ATOM 1090 SG CYS A 41 1.271 -1.775 1.198 1.00 0.00 S ATOM 0 H CYS A 41 -0.289 -1.191 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 41 2.318 -2.649 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.052 -3.465 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.616 -3.974 0.284 1.00 0.00 H new ATOM 1095 N ARG A 42 1.488 -4.572 -2.847 1.00 0.00 N ATOM 1096 CA ARG A 42 1.054 -5.737 -3.655 1.00 0.00 C ATOM 1097 C ARG A 42 1.093 -6.877 -2.644 1.00 0.00 C ATOM 1098 O ARG A 42 2.122 -7.078 -2.011 1.00 0.00 O ATOM 1099 CB ARG A 42 2.121 -5.905 -4.728 1.00 0.00 C ATOM 1100 CG ARG A 42 1.494 -5.749 -6.108 1.00 0.00 C ATOM 1101 CD ARG A 42 1.929 -6.928 -6.974 1.00 0.00 C ATOM 1102 NE ARG A 42 0.670 -7.610 -7.371 1.00 0.00 N ATOM 1103 CZ ARG A 42 -0.070 -7.117 -8.326 1.00 0.00 C ATOM 1104 NH1 ARG A 42 0.467 -6.808 -9.479 1.00 0.00 N ATOM 1105 NH2 ARG A 42 -1.337 -6.914 -8.118 1.00 0.00 N ATOM 0 H ARG A 42 2.498 -4.502 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 42 0.079 -5.668 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.908 -5.164 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.588 -6.886 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.407 -5.718 -6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.808 -4.809 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.485 -6.590 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.583 -7.602 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 42 0.383 -8.466 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.465 -6.953 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.113 -6.423 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.748 -7.140 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.920 -6.529 -8.861 1.00 0.00 H new ATOM 1119 N SER A 43 -0.007 -7.543 -2.405 1.00 0.00 N ATOM 1120 CA SER A 43 -0.013 -8.568 -1.316 1.00 0.00 C ATOM 1121 C SER A 43 -0.543 -9.932 -1.738 1.00 0.00 C ATOM 1122 O SER A 43 -1.608 -10.048 -2.318 1.00 0.00 O ATOM 1123 CB SER A 43 -0.945 -7.966 -0.260 1.00 0.00 C ATOM 1124 OG SER A 43 -0.800 -6.545 -0.237 1.00 0.00 O ATOM 0 H SER A 43 -0.888 -7.426 -2.906 1.00 0.00 H new ATOM 0 HA SER A 43 1.005 -8.763 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.979 -8.231 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.713 -8.380 0.721 1.00 0.00 H new ATOM 0 HG SER A 43 -1.400 -6.166 0.439 1.00 0.00 H new ATOM 1130 N SER A 44 0.168 -10.961 -1.365 1.00 0.00 N ATOM 1131 CA SER A 44 -0.278 -12.355 -1.644 1.00 0.00 C ATOM 1132 C SER A 44 -0.654 -13.010 -0.307 1.00 0.00 C ATOM 1133 O SER A 44 -0.343 -12.484 0.748 1.00 0.00 O ATOM 1134 CB SER A 44 0.928 -13.056 -2.271 1.00 0.00 C ATOM 1135 OG SER A 44 1.154 -12.547 -3.584 1.00 0.00 O ATOM 0 H SER A 44 1.057 -10.892 -0.869 1.00 0.00 H new ATOM 0 HA SER A 44 -1.141 -12.407 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.812 -12.900 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.754 -14.131 -2.313 1.00 0.00 H new ATOM 0 HG SER A 44 1.466 -11.620 -3.526 1.00 0.00 H new ATOM 1141 N GLN A 45 -1.317 -14.140 -0.329 1.00 0.00 N ATOM 1142 CA GLN A 45 -1.708 -14.811 0.956 1.00 0.00 C ATOM 1143 C GLN A 45 -0.482 -14.963 1.876 1.00 0.00 C ATOM 1144 O GLN A 45 -0.576 -14.795 3.077 1.00 0.00 O ATOM 1145 CB GLN A 45 -2.286 -16.185 0.551 1.00 0.00 C ATOM 1146 CG GLN A 45 -1.167 -17.186 0.213 1.00 0.00 C ATOM 1147 CD GLN A 45 -0.555 -16.851 -1.152 1.00 0.00 C ATOM 1148 OE1 GLN A 45 0.349 -16.042 -1.245 1.00 0.00 O ATOM 1149 NE2 GLN A 45 -1.018 -17.427 -2.223 1.00 0.00 N ATOM 0 H GLN A 45 -1.605 -14.628 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.441 -14.230 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.896 -16.579 1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.942 -16.066 -0.311 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.396 -17.155 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.567 -18.200 0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.776 -18.106 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.623 -17.200 -3.136 1.00 0.00 H new ATOM 1158 N GLY A 46 0.661 -15.256 1.323 1.00 0.00 N ATOM 1159 CA GLY A 46 1.895 -15.395 2.145 1.00 0.00 C ATOM 1160 C GLY A 46 2.974 -14.509 1.528 1.00 0.00 C ATOM 1161 O GLY A 46 2.686 -13.445 1.013 1.00 0.00 O ATOM 0 H GLY A 46 0.794 -15.407 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.702 -15.098 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.222 -16.434 2.168 1.00 0.00 H new ATOM 1165 N GLN A 47 4.208 -14.934 1.546 1.00 0.00 N ATOM 1166 CA GLN A 47 5.286 -14.100 0.933 1.00 0.00 C ATOM 1167 C GLN A 47 5.545 -14.541 -0.516 1.00 0.00 C ATOM 1168 O GLN A 47 6.645 -14.419 -1.024 1.00 0.00 O ATOM 1169 CB GLN A 47 6.524 -14.298 1.825 1.00 0.00 C ATOM 1170 CG GLN A 47 7.114 -15.704 1.638 1.00 0.00 C ATOM 1171 CD GLN A 47 8.597 -15.591 1.266 1.00 0.00 C ATOM 1172 OE1 GLN A 47 9.443 -16.204 1.890 1.00 0.00 O ATOM 1173 NE2 GLN A 47 8.952 -14.838 0.264 1.00 0.00 N ATOM 0 H GLN A 47 4.517 -15.816 1.955 1.00 0.00 H new ATOM 0 HA GLN A 47 5.013 -13.046 0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.277 -13.548 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.252 -14.149 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.001 -16.282 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.572 -16.237 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.246 -14.322 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.936 -14.764 0.005 1.00 0.00 H new ATOM 1182 N ARG A 48 4.538 -15.048 -1.191 1.00 0.00 N ATOM 1183 CA ARG A 48 4.735 -15.488 -2.605 1.00 0.00 C ATOM 1184 C ARG A 48 5.052 -14.284 -3.491 1.00 0.00 C ATOM 1185 O ARG A 48 6.055 -14.254 -4.179 1.00 0.00 O ATOM 1186 CB ARG A 48 3.411 -16.136 -3.032 1.00 0.00 C ATOM 1187 CG ARG A 48 3.448 -17.645 -2.750 1.00 0.00 C ATOM 1188 CD ARG A 48 3.039 -18.417 -4.009 1.00 0.00 C ATOM 1189 NE ARG A 48 4.054 -19.502 -4.141 1.00 0.00 N ATOM 1190 CZ ARG A 48 4.941 -19.460 -5.095 1.00 0.00 C ATOM 1191 NH1 ARG A 48 6.020 -18.737 -4.944 1.00 0.00 N ATOM 1192 NH2 ARG A 48 4.740 -20.129 -6.200 1.00 0.00 N ATOM 0 H ARG A 48 3.595 -15.174 -0.824 1.00 0.00 H new ATOM 0 HA ARG A 48 5.567 -16.186 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.582 -15.677 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.237 -15.961 -4.094 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.450 -17.942 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.774 -17.888 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.033 -18.826 -3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.036 -17.770 -4.886 1.00 0.00 H new ATOM 0 HE ARG A 48 4.054 -20.280 -3.482 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.164 -18.210 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.718 -18.700 -5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.891 -20.682 -6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.433 -20.098 -6.948 1.00 0.00 H new ATOM 1206 N ARG A 49 4.192 -13.307 -3.499 1.00 0.00 N ATOM 1207 CA ARG A 49 4.421 -12.122 -4.356 1.00 0.00 C ATOM 1208 C ARG A 49 3.905 -10.822 -3.735 1.00 0.00 C ATOM 1209 O ARG A 49 2.718 -10.529 -3.770 1.00 0.00 O ATOM 1210 CB ARG A 49 3.631 -12.421 -5.612 1.00 0.00 C ATOM 1211 CG ARG A 49 4.563 -12.342 -6.802 1.00 0.00 C ATOM 1212 CD ARG A 49 3.769 -11.877 -8.025 1.00 0.00 C ATOM 1213 NE ARG A 49 3.427 -10.445 -7.764 1.00 0.00 N ATOM 1214 CZ ARG A 49 4.178 -9.492 -8.259 1.00 0.00 C ATOM 1215 NH1 ARG A 49 4.408 -9.457 -9.548 1.00 0.00 N ATOM 1216 NH2 ARG A 49 4.702 -8.592 -7.470 1.00 0.00 N ATOM 0 H ARG A 49 3.336 -13.282 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 49 5.487 -11.966 -4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.182 -13.412 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.814 -11.708 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.379 -11.649 -6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.013 -13.316 -6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.358 -11.979 -8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.869 -12.477 -8.159 1.00 0.00 H new ATOM 0 HE ARG A 49 2.610 -10.210 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.004 -10.168 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.991 -8.719 -9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.527 -8.630 -6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.286 -7.851 -7.858 1.00 0.00 H new ATOM 1230 N GLY A 50 4.794 -10.009 -3.248 1.00 0.00 N ATOM 1231 CA GLY A 50 4.384 -8.681 -2.717 1.00 0.00 C ATOM 1232 C GLY A 50 4.583 -7.726 -3.887 1.00 0.00 C ATOM 1233 O GLY A 50 4.185 -8.053 -4.995 1.00 0.00 O ATOM 0 H GLY A 50 5.793 -10.207 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.346 -8.690 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.992 -8.391 -1.860 1.00 0.00 H new ATOM 1237 N PRO A 51 5.301 -6.651 -3.686 1.00 0.00 N ATOM 1238 CA PRO A 51 5.825 -6.179 -2.385 1.00 0.00 C ATOM 1239 C PRO A 51 5.173 -4.834 -2.013 1.00 0.00 C ATOM 1240 O PRO A 51 4.689 -4.115 -2.870 1.00 0.00 O ATOM 1241 CB PRO A 51 7.282 -5.907 -2.741 1.00 0.00 C ATOM 1242 CG PRO A 51 7.267 -5.612 -4.231 1.00 0.00 C ATOM 1243 CD PRO A 51 5.839 -5.789 -4.718 1.00 0.00 C ATOM 0 HA PRO A 51 5.656 -6.872 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.677 -5.064 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.912 -6.767 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.615 -4.597 -4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.939 -6.286 -4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.305 -4.841 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.794 -6.249 -5.705 1.00 0.00 H new ATOM 1251 N CYS A 52 5.184 -4.455 -0.771 1.00 0.00 N ATOM 1252 CA CYS A 52 4.609 -3.120 -0.413 1.00 0.00 C ATOM 1253 C CYS A 52 5.721 -2.059 -0.387 1.00 0.00 C ATOM 1254 O CYS A 52 6.846 -2.344 -0.014 1.00 0.00 O ATOM 1255 CB CYS A 52 3.959 -3.260 0.969 1.00 0.00 C ATOM 1256 SG CYS A 52 3.277 -1.652 1.456 1.00 0.00 S ATOM 0 H CYS A 52 5.559 -4.997 0.007 1.00 0.00 H new ATOM 0 HA CYS A 52 3.869 -2.803 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.171 -4.012 0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.694 -3.596 1.700 1.00 0.00 H new ATOM 1261 N TRP A 53 5.413 -0.842 -0.769 1.00 0.00 N ATOM 1262 CA TRP A 53 6.447 0.244 -0.752 1.00 0.00 C ATOM 1263 C TRP A 53 5.825 1.568 -0.273 1.00 0.00 C ATOM 1264 O TRP A 53 4.616 1.710 -0.203 1.00 0.00 O ATOM 1265 CB TRP A 53 6.980 0.350 -2.192 1.00 0.00 C ATOM 1266 CG TRP A 53 5.897 0.764 -3.140 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.604 2.041 -3.471 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.977 -0.078 -3.901 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.559 2.039 -4.378 1.00 0.00 N ATOM 1270 CE2 TRP A 53 4.134 0.757 -4.672 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.780 -1.473 -3.987 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 3.145 0.232 -5.506 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.788 -2.006 -4.831 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.970 -1.154 -5.584 1.00 0.00 C ATOM 0 H TRP A 53 4.490 -0.553 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 53 7.260 0.021 -0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.795 1.073 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.391 -0.611 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.104 2.919 -3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.151 2.882 -4.781 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.396 -2.138 -3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.519 0.892 -6.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.657 -3.076 -4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.205 -1.567 -6.224 1.00 0.00 H new ATOM 1285 N CYS A 54 6.647 2.530 0.071 1.00 0.00 N ATOM 1286 CA CYS A 54 6.116 3.841 0.564 1.00 0.00 C ATOM 1287 C CYS A 54 5.826 4.778 -0.612 1.00 0.00 C ATOM 1288 O CYS A 54 6.472 4.713 -1.641 1.00 0.00 O ATOM 1289 CB CYS A 54 7.217 4.419 1.454 1.00 0.00 C ATOM 1290 SG CYS A 54 6.787 4.159 3.193 1.00 0.00 S ATOM 0 H CYS A 54 7.664 2.464 0.032 1.00 0.00 H new ATOM 0 HA CYS A 54 5.180 3.720 1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.170 3.940 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.340 5.483 1.254 1.00 0.00 H new ATOM 1295 N VAL A 55 4.850 5.641 -0.468 1.00 0.00 N ATOM 1296 CA VAL A 55 4.486 6.576 -1.582 1.00 0.00 C ATOM 1297 C VAL A 55 3.998 7.924 -1.044 1.00 0.00 C ATOM 1298 O VAL A 55 3.722 8.072 0.132 1.00 0.00 O ATOM 1299 CB VAL A 55 3.350 5.889 -2.333 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.877 4.638 -3.036 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.242 5.503 -1.345 1.00 0.00 C ATOM 0 H VAL A 55 4.286 5.739 0.376 1.00 0.00 H new ATOM 0 HA VAL A 55 5.349 6.780 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 55 2.945 6.572 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.062 4.151 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.658 4.919 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.288 3.951 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.430 5.012 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.644 4.822 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.863 6.400 -0.855 1.00 0.00 H new ATOM 1311 N ASP A 56 3.867 8.899 -1.911 1.00 0.00 N ATOM 1312 CA ASP A 56 3.368 10.230 -1.485 1.00 0.00 C ATOM 1313 C ASP A 56 1.841 10.213 -1.509 1.00 0.00 C ATOM 1314 O ASP A 56 1.227 9.221 -1.849 1.00 0.00 O ATOM 1315 CB ASP A 56 3.923 11.238 -2.506 1.00 0.00 C ATOM 1316 CG ASP A 56 3.041 11.281 -3.754 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.985 10.292 -4.455 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.442 12.315 -3.991 1.00 0.00 O ATOM 0 H ASP A 56 4.089 8.822 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 56 3.684 10.494 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.974 12.229 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.940 10.961 -2.782 1.00 0.00 H new ATOM 1323 N ARG A 57 1.240 11.304 -1.149 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.263 11.390 -1.127 1.00 0.00 C ATOM 1325 C ARG A 57 -0.896 10.875 -2.437 1.00 0.00 C ATOM 1326 O ARG A 57 -2.018 10.396 -2.439 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.580 12.881 -0.919 1.00 0.00 C ATOM 1328 CG ARG A 57 0.091 13.734 -2.006 1.00 0.00 C ATOM 1329 CD ARG A 57 0.789 14.932 -1.355 1.00 0.00 C ATOM 1330 NE ARG A 57 1.575 15.565 -2.452 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.881 15.542 -2.417 1.00 0.00 C ATOM 1332 NH1 ARG A 57 3.516 14.505 -2.888 1.00 0.00 N ATOM 1333 NH2 ARG A 57 3.543 16.545 -1.901 1.00 0.00 N ATOM 0 H ARG A 57 1.720 12.157 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.677 10.763 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.659 13.036 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.234 13.198 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.814 13.135 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.653 14.079 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.065 15.630 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.437 14.615 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 57 1.093 16.016 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.993 13.721 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.535 14.478 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.040 17.348 -1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.562 16.524 -1.875 1.00 0.00 H new ATOM 1347 N MET A 58 -0.205 10.972 -3.545 1.00 0.00 N ATOM 1348 CA MET A 58 -0.793 10.488 -4.831 1.00 0.00 C ATOM 1349 C MET A 58 -0.589 8.976 -4.977 1.00 0.00 C ATOM 1350 O MET A 58 -1.293 8.319 -5.722 1.00 0.00 O ATOM 1351 CB MET A 58 -0.043 11.240 -5.936 1.00 0.00 C ATOM 1352 CG MET A 58 -0.178 12.750 -5.717 1.00 0.00 C ATOM 1353 SD MET A 58 -1.440 13.419 -6.830 1.00 0.00 S ATOM 1354 CE MET A 58 -2.876 12.631 -6.055 1.00 0.00 C ATOM 0 H MET A 58 0.735 11.363 -3.615 1.00 0.00 H new ATOM 0 HA MET A 58 -1.867 10.670 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.009 10.955 -5.933 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.445 10.967 -6.912 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.448 12.954 -4.681 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.778 13.240 -5.899 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.771 13.216 -6.267 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.998 11.624 -6.454 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.724 12.578 -4.977 1.00 0.00 H new ATOM 1364 N GLY A 59 0.353 8.418 -4.267 1.00 0.00 N ATOM 1365 CA GLY A 59 0.590 6.949 -4.351 1.00 0.00 C ATOM 1366 C GLY A 59 1.845 6.639 -5.172 1.00 0.00 C ATOM 1367 O GLY A 59 2.062 5.505 -5.558 1.00 0.00 O ATOM 0 H GLY A 59 0.972 8.919 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.697 6.537 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.274 6.463 -4.804 1.00 0.00 H new ATOM 1371 N LYS A 60 2.680 7.613 -5.447 1.00 0.00 N ATOM 1372 CA LYS A 60 3.902 7.342 -6.232 1.00 0.00 C ATOM 1373 C LYS A 60 5.019 6.861 -5.298 1.00 0.00 C ATOM 1374 O LYS A 60 5.228 7.424 -4.241 1.00 0.00 O ATOM 1375 CB LYS A 60 4.253 8.695 -6.848 1.00 0.00 C ATOM 1376 CG LYS A 60 5.601 8.596 -7.535 1.00 0.00 C ATOM 1377 CD LYS A 60 6.558 9.644 -6.954 1.00 0.00 C ATOM 1378 CE LYS A 60 7.888 9.627 -7.723 1.00 0.00 C ATOM 1379 NZ LYS A 60 8.470 8.275 -7.487 1.00 0.00 N ATOM 0 H LYS A 60 2.558 8.583 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 60 3.768 6.568 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.487 8.991 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.281 9.463 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.016 7.597 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.485 8.751 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.106 10.634 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.737 9.440 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.728 9.805 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.557 10.410 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.499 8.310 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.266 7.975 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.051 7.595 -8.154 1.00 0.00 H new ATOM 1393 N SER A 61 5.740 5.838 -5.685 1.00 0.00 N ATOM 1394 CA SER A 61 6.854 5.328 -4.823 1.00 0.00 C ATOM 1395 C SER A 61 7.732 6.504 -4.380 1.00 0.00 C ATOM 1396 O SER A 61 8.424 7.115 -5.180 1.00 0.00 O ATOM 1397 CB SER A 61 7.643 4.359 -5.706 1.00 0.00 C ATOM 1398 OG SER A 61 6.785 3.827 -6.711 1.00 0.00 O ATOM 0 H SER A 61 5.606 5.333 -6.561 1.00 0.00 H new ATOM 0 HA SER A 61 6.494 4.833 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.485 4.874 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.056 3.552 -5.100 1.00 0.00 H new ATOM 0 HG SER A 61 7.290 3.208 -7.278 1.00 0.00 H new ATOM 1404 N LEU A 62 7.669 6.846 -3.124 1.00 0.00 N ATOM 1405 CA LEU A 62 8.464 8.002 -2.608 1.00 0.00 C ATOM 1406 C LEU A 62 9.813 7.552 -2.041 1.00 0.00 C ATOM 1407 O LEU A 62 9.864 7.030 -0.939 1.00 0.00 O ATOM 1408 CB LEU A 62 7.625 8.607 -1.485 1.00 0.00 C ATOM 1409 CG LEU A 62 6.894 9.864 -1.975 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.384 10.649 -0.773 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.840 10.753 -2.786 1.00 0.00 C ATOM 0 H LEU A 62 7.097 6.372 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 62 8.675 8.709 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.901 7.874 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.266 8.858 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 62 6.061 9.560 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.864 11.543 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.697 10.028 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.226 10.938 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.305 11.640 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.681 11.054 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.209 10.199 -3.649 1.00 0.00 H new ATOM 1423 N PRO A 63 10.869 7.796 -2.774 1.00 0.00 N ATOM 1424 CA PRO A 63 12.219 7.447 -2.281 1.00 0.00 C ATOM 1425 C PRO A 63 12.670 8.520 -1.275 1.00 0.00 C ATOM 1426 O PRO A 63 11.855 9.217 -0.691 1.00 0.00 O ATOM 1427 CB PRO A 63 13.082 7.467 -3.545 1.00 0.00 C ATOM 1428 CG PRO A 63 12.378 8.390 -4.487 1.00 0.00 C ATOM 1429 CD PRO A 63 10.916 8.397 -4.110 1.00 0.00 C ATOM 0 HA PRO A 63 12.276 6.487 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.090 7.820 -3.328 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.179 6.468 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.795 9.395 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.506 8.057 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.515 9.410 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.321 7.825 -4.822 1.00 0.00 H new ATOM 1437 N GLY A 64 13.949 8.676 -1.089 1.00 0.00 N ATOM 1438 CA GLY A 64 14.450 9.715 -0.139 1.00 0.00 C ATOM 1439 C GLY A 64 14.505 9.141 1.277 1.00 0.00 C ATOM 1440 O GLY A 64 14.290 7.958 1.488 1.00 0.00 O ATOM 0 H GLY A 64 14.674 8.129 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.441 10.051 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.797 10.587 -0.162 1.00 0.00 H new ATOM 1444 N SER A 65 14.805 9.964 2.248 1.00 0.00 N ATOM 1445 CA SER A 65 14.891 9.473 3.657 1.00 0.00 C ATOM 1446 C SER A 65 13.808 10.125 4.526 1.00 0.00 C ATOM 1447 O SER A 65 13.209 11.113 4.135 1.00 0.00 O ATOM 1448 CB SER A 65 16.284 9.888 4.131 1.00 0.00 C ATOM 1449 OG SER A 65 17.249 9.499 3.156 1.00 0.00 O ATOM 0 H SER A 65 14.995 10.959 2.126 1.00 0.00 H new ATOM 0 HA SER A 65 14.736 8.396 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.322 10.966 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.509 9.420 5.089 1.00 0.00 H new ATOM 0 HG SER A 65 18.143 9.765 3.456 1.00 0.00 H new ATOM 1455 N PRO A 66 13.585 9.545 5.684 1.00 0.00 N ATOM 1456 CA PRO A 66 12.553 10.071 6.614 1.00 0.00 C ATOM 1457 C PRO A 66 12.980 11.411 7.216 1.00 0.00 C ATOM 1458 O PRO A 66 12.154 12.254 7.516 1.00 0.00 O ATOM 1459 CB PRO A 66 12.444 8.989 7.689 1.00 0.00 C ATOM 1460 CG PRO A 66 13.760 8.281 7.656 1.00 0.00 C ATOM 1461 CD PRO A 66 14.269 8.364 6.239 1.00 0.00 C ATOM 0 HA PRO A 66 11.602 10.267 6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.254 9.424 8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.622 8.305 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.465 8.744 8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.647 7.242 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 66 15.352 8.480 6.210 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.030 7.462 5.675 1.00 0.00 H new ATOM 1469 N ASP A 67 14.255 11.621 7.385 1.00 0.00 N ATOM 1470 CA ASP A 67 14.727 12.922 7.952 1.00 0.00 C ATOM 1471 C ASP A 67 14.553 14.049 6.921 1.00 0.00 C ATOM 1472 O ASP A 67 14.797 15.206 7.215 1.00 0.00 O ATOM 1473 CB ASP A 67 16.210 12.716 8.302 1.00 0.00 C ATOM 1474 CG ASP A 67 17.016 12.449 7.033 1.00 0.00 C ATOM 1475 OD1 ASP A 67 17.067 11.304 6.622 1.00 0.00 O ATOM 1476 OD2 ASP A 67 17.572 13.388 6.498 1.00 0.00 O ATOM 0 H ASP A 67 14.991 10.953 7.157 1.00 0.00 H new ATOM 0 HA ASP A 67 14.153 13.212 8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.598 13.599 8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.316 11.879 8.992 1.00 0.00 H new ATOM 1481 N GLY A 68 14.125 13.732 5.721 1.00 0.00 N ATOM 1482 CA GLY A 68 13.929 14.791 4.690 1.00 0.00 C ATOM 1483 C GLY A 68 12.516 14.686 4.121 1.00 0.00 C ATOM 1484 O GLY A 68 11.708 15.583 4.270 1.00 0.00 O ATOM 0 H GLY A 68 13.904 12.784 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.084 15.776 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.664 14.679 3.893 1.00 0.00 H new ATOM 1488 N ASN A 69 12.212 13.598 3.463 1.00 0.00 N ATOM 1489 CA ASN A 69 10.847 13.432 2.873 1.00 0.00 C ATOM 1490 C ASN A 69 9.910 12.679 3.829 1.00 0.00 C ATOM 1491 O ASN A 69 8.826 12.293 3.444 1.00 0.00 O ATOM 1492 CB ASN A 69 11.066 12.615 1.597 1.00 0.00 C ATOM 1493 CG ASN A 69 10.020 12.997 0.547 1.00 0.00 C ATOM 1494 OD1 ASN A 69 9.513 14.106 0.548 1.00 0.00 O ATOM 1495 ND2 ASN A 69 9.672 12.123 -0.357 1.00 0.00 N ATOM 0 H ASN A 69 12.849 12.816 3.308 1.00 0.00 H new ATOM 0 HA ASN A 69 10.377 14.396 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.068 12.795 1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.998 11.550 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.977 12.368 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.095 11.195 -0.359 1.00 0.00 H new ATOM 1502 N GLY A 70 10.320 12.462 5.062 1.00 0.00 N ATOM 1503 CA GLY A 70 9.463 11.723 6.051 1.00 0.00 C ATOM 1504 C GLY A 70 7.988 12.146 5.939 1.00 0.00 C ATOM 1505 O GLY A 70 7.106 11.310 5.844 1.00 0.00 O ATOM 0 H GLY A 70 11.221 12.769 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.550 10.650 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.823 11.915 7.062 1.00 0.00 H new ATOM 1509 N SER A 71 7.709 13.426 5.960 1.00 0.00 N ATOM 1510 CA SER A 71 6.286 13.892 5.856 1.00 0.00 C ATOM 1511 C SER A 71 5.653 13.413 4.539 1.00 0.00 C ATOM 1512 O SER A 71 4.511 12.981 4.508 1.00 0.00 O ATOM 1513 CB SER A 71 6.356 15.420 5.895 1.00 0.00 C ATOM 1514 OG SER A 71 7.191 15.825 6.981 1.00 0.00 O ATOM 0 H SER A 71 8.402 14.170 6.044 1.00 0.00 H new ATOM 0 HA SER A 71 5.670 13.493 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.752 15.802 4.954 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.357 15.839 6.013 1.00 0.00 H new ATOM 0 HG SER A 71 7.240 16.803 7.009 1.00 0.00 H new ATOM 1520 N SER A 72 6.379 13.478 3.453 1.00 0.00 N ATOM 1521 CA SER A 72 5.813 13.018 2.152 1.00 0.00 C ATOM 1522 C SER A 72 5.878 11.487 2.062 1.00 0.00 C ATOM 1523 O SER A 72 4.889 10.843 1.779 1.00 0.00 O ATOM 1524 CB SER A 72 6.674 13.657 1.059 1.00 0.00 C ATOM 1525 OG SER A 72 7.181 14.913 1.508 1.00 0.00 O ATOM 0 H SER A 72 7.336 13.829 3.412 1.00 0.00 H new ATOM 0 HA SER A 72 4.767 13.307 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.500 12.994 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.083 13.797 0.154 1.00 0.00 H new ATOM 0 HG SER A 72 8.136 14.975 1.297 1.00 0.00 H new ATOM 1531 N SER A 73 7.024 10.897 2.305 1.00 0.00 N ATOM 1532 CA SER A 73 7.119 9.411 2.232 1.00 0.00 C ATOM 1533 C SER A 73 6.732 8.817 3.590 1.00 0.00 C ATOM 1534 O SER A 73 5.575 8.864 3.980 1.00 0.00 O ATOM 1535 CB SER A 73 8.577 9.108 1.866 1.00 0.00 C ATOM 1536 OG SER A 73 9.443 9.722 2.813 1.00 0.00 O ATOM 0 H SER A 73 7.890 11.379 2.549 1.00 0.00 H new ATOM 0 HA SER A 73 6.446 8.975 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.743 8.031 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.796 9.478 0.864 1.00 0.00 H new ATOM 0 HG SER A 73 10.110 9.071 3.116 1.00 0.00 H new ATOM 1542 N CYS A 74 7.660 8.267 4.332 1.00 0.00 N ATOM 1543 CA CYS A 74 7.276 7.710 5.654 1.00 0.00 C ATOM 1544 C CYS A 74 8.465 7.666 6.622 1.00 0.00 C ATOM 1545 O CYS A 74 9.520 7.163 6.281 1.00 0.00 O ATOM 1546 CB CYS A 74 6.798 6.285 5.357 1.00 0.00 C ATOM 1547 SG CYS A 74 7.936 5.486 4.190 1.00 0.00 S ATOM 0 H CYS A 74 8.645 8.182 4.083 1.00 0.00 H new ATOM 0 HA CYS A 74 6.514 8.326 6.132 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.746 5.709 6.281 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.791 6.309 4.939 1.00 0.00 H new ATOM 1552 N PRO A 75 8.229 8.134 7.826 1.00 0.00 N ATOM 1553 CA PRO A 75 9.258 8.078 8.889 1.00 0.00 C ATOM 1554 C PRO A 75 9.174 6.705 9.569 1.00 0.00 C ATOM 1555 O PRO A 75 10.162 6.030 9.772 1.00 0.00 O ATOM 1556 CB PRO A 75 8.846 9.196 9.842 1.00 0.00 C ATOM 1557 CG PRO A 75 7.371 9.381 9.636 1.00 0.00 C ATOM 1558 CD PRO A 75 6.999 8.783 8.295 1.00 0.00 C ATOM 0 HA PRO A 75 10.282 8.203 8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.067 8.931 10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.390 10.115 9.626 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.812 8.896 10.436 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.114 10.440 9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.185 8.065 8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.665 9.551 7.597 1.00 0.00 H new ATOM 1566 N THR A 76 7.978 6.296 9.901 1.00 0.00 N ATOM 1567 CA THR A 76 7.752 4.975 10.543 1.00 0.00 C ATOM 1568 C THR A 76 6.830 4.137 9.637 1.00 0.00 C ATOM 1569 O THR A 76 6.336 4.624 8.631 1.00 0.00 O ATOM 1570 CB THR A 76 7.066 5.295 11.880 1.00 0.00 C ATOM 1571 OG1 THR A 76 6.536 6.621 11.854 1.00 0.00 O ATOM 1572 CG2 THR A 76 8.083 5.184 13.019 1.00 0.00 C ATOM 0 H THR A 76 7.129 6.840 9.748 1.00 0.00 H new ATOM 0 HA THR A 76 8.669 4.407 10.697 1.00 0.00 H new ATOM 0 HB THR A 76 6.255 4.585 12.038 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.099 6.816 12.709 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.594 5.411 13.966 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.484 4.171 13.051 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.896 5.891 12.851 1.00 0.00 H new ATOM 1580 N GLY A 77 6.598 2.893 9.977 1.00 0.00 N ATOM 1581 CA GLY A 77 5.721 2.027 9.131 1.00 0.00 C ATOM 1582 C GLY A 77 4.244 2.334 9.406 1.00 0.00 C ATOM 1583 O GLY A 77 3.803 3.461 9.299 1.00 0.00 O ATOM 0 H GLY A 77 6.980 2.439 10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.944 2.192 8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.926 0.977 9.339 1.00 0.00 H new ATOM 1587 N SER A 78 3.474 1.339 9.751 1.00 0.00 N ATOM 1588 CA SER A 78 2.022 1.570 10.031 1.00 0.00 C ATOM 1589 C SER A 78 1.773 1.536 11.544 1.00 0.00 C ATOM 1590 O SER A 78 2.701 1.441 12.328 1.00 0.00 O ATOM 1591 CB SER A 78 1.275 0.419 9.336 1.00 0.00 C ATOM 1592 OG SER A 78 2.155 -0.278 8.452 1.00 0.00 O ATOM 0 H SER A 78 3.785 0.373 9.852 1.00 0.00 H new ATOM 0 HA SER A 78 1.684 2.540 9.666 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.877 -0.269 10.082 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.424 0.812 8.779 1.00 0.00 H new ATOM 0 HG SER A 78 2.221 -1.216 8.728 1.00 0.00 H new ATOM 1598 N SER A 79 0.533 1.608 11.960 1.00 0.00 N ATOM 1599 CA SER A 79 0.227 1.576 13.424 1.00 0.00 C ATOM 1600 C SER A 79 0.767 0.282 14.043 1.00 0.00 C ATOM 1601 O SER A 79 1.458 0.301 15.045 1.00 0.00 O ATOM 1602 CB SER A 79 -1.304 1.629 13.528 1.00 0.00 C ATOM 1603 OG SER A 79 -1.892 0.984 12.398 1.00 0.00 O ATOM 0 H SER A 79 -0.280 1.688 11.350 1.00 0.00 H new ATOM 0 HA SER A 79 0.690 2.406 13.958 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.632 1.142 14.446 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.638 2.665 13.580 1.00 0.00 H new ATOM 0 HG SER A 79 -2.192 1.660 11.755 1.00 0.00 H new ATOM 1609 N GLY A 80 0.457 -0.836 13.449 1.00 0.00 N ATOM 1610 CA GLY A 80 0.943 -2.137 13.985 1.00 0.00 C ATOM 1611 C GLY A 80 0.025 -3.255 13.496 1.00 0.00 C ATOM 1612 O GLY A 80 -0.266 -3.284 12.315 1.00 0.00 O ATOM 1613 OXT GLY A 80 -0.388 -4.058 14.307 1.00 0.00 O ATOM 0 H GLY A 80 -0.117 -0.904 12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.966 -2.320 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.958 -2.113 15.075 1.00 0.00 H new TER 1617 GLY A 80