USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 822 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: F 40 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.4) USER MOD Set 1.2: F 43 ASN : amide:sc= -0.0032 K(o=-0.19,f=-2.8) USER MOD Set 2.1: F 23 ASN : amide:sc= -2.33! C(o=-2.7!,f=-5.3!) USER MOD Set 2.2: F 55 GLN : amide:sc= -0.331 K(o=-2.7,f=-6.9) USER MOD Set 3.1: E 39 SER OG : rot -95:sc= 0.449 USER MOD Set 3.2: E 40 GLN :FLIP amide:sc= -0.643 F(o=-0.92,f=-0.19) USER MOD Set 4.1: E 23 ASN : amide:sc= -1.33! C(o=-4.4!,f=-6.2!) USER MOD Set 4.2: E 55 GLN : amide:sc= -3.05! C(o=-4.4!,f=-5.7!) USER MOD Single : C 16 LYS NZ :NH3+ -135:sc= -0.0791 (180deg=-1.96!) USER MOD Single : C 26 SER OG : rot 76:sc= 0.64 USER MOD Single : C 27 ASN : amide:sc=-0.00594 X(o=-0.0059,f=-0.0059) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -169:sc= -0.153 (180deg=-0.329) USER MOD Single : E 18 TYR OH : rot 144:sc= 1.18 USER MOD Single : E 21 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : E 26 GLN : amide:sc= -1.04 X(o=-1,f=-0.99) USER MOD Single : E 32 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.12) USER MOD Single : E 33 SER OG : rot 160:sc= -0.0716 USER MOD Single : E 35 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-0.56) USER MOD Single : E 41 SER OG : rot -92:sc= 1.18 USER MOD Single : E 43 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : E 49 LYS NZ :NH3+ 161:sc= -5.15! (180deg=-7.23!) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 52 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.12) USER MOD Single : F 18 TYR OH : rot -76:sc= 0.925 USER MOD Single : F 21 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.94) USER MOD Single : F 26 GLN : amide:sc= -0.793 X(o=-0.79,f=-0.85) USER MOD Single : F 32 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-1.7) USER MOD Single : F 33 SER OG : rot 71:sc= 1.21 USER MOD Single : F 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 41 SER OG : rot -87:sc= 0.906 USER MOD Single : F 49 LYS NZ :NH3+ -173:sc= -0.0388 (180deg=-0.0849) USER MOD Single : F 50 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.875) USER MOD Single : F 52 ASN : amide:sc= 0.154 K(o=0.15,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS C 16 126.037 -9.238 -3.813 1.00 0.00 N ATOM 2 CA LYS C 16 124.793 -9.237 -3.048 1.00 0.00 C ATOM 3 C LYS C 16 124.182 -7.835 -3.004 1.00 0.00 C ATOM 4 O LYS C 16 124.878 -6.843 -2.769 1.00 0.00 O ATOM 5 CB LYS C 16 125.064 -9.802 -1.643 1.00 0.00 C ATOM 6 CG LYS C 16 125.773 -8.767 -0.762 1.00 0.00 C ATOM 7 CD LYS C 16 124.719 -8.002 0.044 1.00 0.00 C ATOM 8 CE LYS C 16 124.470 -8.692 1.397 1.00 0.00 C ATOM 9 NZ LYS C 16 123.149 -9.386 1.372 1.00 0.00 N ATOM 0 HA LYS C 16 124.059 -9.878 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS C 16 124.123 -10.097 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS C 16 125.677 -10.700 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS C 16 126.476 -9.260 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS C 16 126.350 -8.078 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS C 16 125.051 -6.977 0.208 1.00 0.00 H new ATOM 0 HD3 LYS C 16 123.788 -7.949 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS C 16 125.265 -9.409 1.602 1.00 0.00 H new ATOM 0 HE3 LYS C 16 124.490 -7.956 2.201 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 122.636 -9.187 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 122.592 -9.044 0.563 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 123.297 -10.411 1.281 1.00 0.00 H new ATOM 23 N LEU C 17 122.871 -7.773 -3.247 1.00 0.00 N ATOM 24 CA LEU C 17 122.136 -6.504 -3.251 1.00 0.00 C ATOM 25 C LEU C 17 121.236 -6.410 -2.024 1.00 0.00 C ATOM 26 O LEU C 17 120.473 -7.337 -1.737 1.00 0.00 O ATOM 27 CB LEU C 17 121.265 -6.381 -4.517 1.00 0.00 C ATOM 28 CG LEU C 17 122.034 -5.714 -5.675 1.00 0.00 C ATOM 29 CD1 LEU C 17 122.465 -4.295 -5.301 1.00 0.00 C ATOM 30 CD2 LEU C 17 123.260 -6.559 -6.061 1.00 0.00 C ATOM 0 H LEU C 17 122.293 -8.590 -3.445 1.00 0.00 H new ATOM 0 HA LEU C 17 122.867 -5.695 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU C 17 120.929 -7.371 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU C 17 120.372 -5.798 -4.290 1.00 0.00 H new ATOM 0 HG LEU C 17 121.365 -5.652 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU C 17 123.005 -3.847 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU C 17 121.584 -3.695 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.114 -4.331 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU C 17 123.792 -6.075 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU C 17 123.924 -6.651 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU C 17 122.934 -7.550 -6.376 1.00 0.00 H new ATOM 42 N VAL C 18 121.317 -5.276 -1.322 1.00 0.00 N ATOM 43 CA VAL C 18 120.486 -5.040 -0.131 1.00 0.00 C ATOM 44 C VAL C 18 119.789 -3.695 -0.268 1.00 0.00 C ATOM 45 O VAL C 18 120.441 -2.696 -0.559 1.00 0.00 O ATOM 46 CB VAL C 18 121.339 -5.041 1.158 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.416 -4.944 2.386 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.176 -6.330 1.244 1.00 0.00 C ATOM 0 H VAL C 18 121.946 -4.508 -1.554 1.00 0.00 H new ATOM 0 HA VAL C 18 119.754 -5.844 -0.058 1.00 0.00 H new ATOM 0 HB VAL C 18 122.012 -4.184 1.136 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.018 -4.945 3.295 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.838 -4.021 2.335 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.738 -5.797 2.400 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.772 -6.317 2.157 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.512 -7.195 1.256 1.00 0.00 H new ATOM 0 HG23 VAL C 18 122.838 -6.393 0.380 1.00 0.00 H new ATOM 58 N PHE C 19 118.473 -3.672 -0.044 1.00 0.00 N ATOM 59 CA PHE C 19 117.709 -2.435 -0.134 1.00 0.00 C ATOM 60 C PHE C 19 117.499 -1.871 1.255 1.00 0.00 C ATOM 61 O PHE C 19 117.026 -2.567 2.155 1.00 0.00 O ATOM 62 CB PHE C 19 116.346 -2.674 -0.811 1.00 0.00 C ATOM 63 CG PHE C 19 116.366 -2.071 -2.197 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.204 -2.626 -3.172 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.570 -0.952 -2.508 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.251 -2.074 -4.453 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.623 -0.402 -3.796 1.00 0.00 C ATOM 68 CZ PHE C 19 116.463 -0.965 -4.765 1.00 0.00 C ATOM 0 H PHE C 19 117.920 -4.494 0.200 1.00 0.00 H new ATOM 0 HA PHE C 19 118.270 -1.725 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.138 -3.742 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.549 -2.226 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.815 -3.483 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.923 -0.520 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE C 19 117.897 -2.505 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.016 0.457 -4.041 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.501 -0.540 -5.757 1.00 0.00 H new ATOM 78 N PHE C 20 117.865 -0.610 1.413 1.00 0.00 N ATOM 79 CA PHE C 20 117.728 0.073 2.697 1.00 0.00 C ATOM 80 C PHE C 20 117.180 1.481 2.510 1.00 0.00 C ATOM 81 O PHE C 20 117.284 2.061 1.425 1.00 0.00 O ATOM 82 CB PHE C 20 119.084 0.130 3.403 1.00 0.00 C ATOM 83 CG PHE C 20 120.061 0.940 2.596 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.050 2.335 2.681 1.00 0.00 C ATOM 85 CD2 PHE C 20 120.979 0.292 1.772 1.00 0.00 C ATOM 86 CE1 PHE C 20 120.957 3.082 1.938 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.886 1.038 1.029 1.00 0.00 C ATOM 88 CZ PHE C 20 121.880 2.436 1.110 1.00 0.00 C ATOM 0 H PHE C 20 118.260 -0.034 0.670 1.00 0.00 H new ATOM 0 HA PHE C 20 117.024 -0.489 3.311 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.967 0.570 4.393 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.469 -0.879 3.546 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.338 2.832 3.323 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.986 -0.786 1.711 1.00 0.00 H new ATOM 0 HE1 PHE C 20 120.949 4.160 2.000 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.597 0.538 0.388 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.587 3.014 0.534 1.00 0.00 H new ATOM 98 N ALA C 21 116.610 2.026 3.582 1.00 0.00 N ATOM 99 CA ALA C 21 116.063 3.373 3.550 1.00 0.00 C ATOM 100 C ALA C 21 116.774 4.245 4.579 1.00 0.00 C ATOM 101 O ALA C 21 116.986 3.819 5.718 1.00 0.00 O ATOM 102 CB ALA C 21 114.569 3.320 3.838 1.00 0.00 C ATOM 0 H ALA C 21 116.517 1.553 4.481 1.00 0.00 H new ATOM 0 HA ALA C 21 116.218 3.807 2.562 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.158 4.329 3.814 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.074 2.709 3.083 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.404 2.884 4.823 1.00 0.00 H new ATOM 108 N GLU C 22 117.139 5.460 4.165 1.00 0.00 N ATOM 109 CA GLU C 22 117.827 6.403 5.024 1.00 0.00 C ATOM 110 C GLU C 22 116.873 7.520 5.413 1.00 0.00 C ATOM 111 O GLU C 22 116.299 8.161 4.542 1.00 0.00 O ATOM 112 CB GLU C 22 119.026 6.970 4.250 1.00 0.00 C ATOM 113 CG GLU C 22 119.728 8.046 5.076 1.00 0.00 C ATOM 114 CD GLU C 22 120.891 8.647 4.286 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.850 7.932 4.044 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.807 9.813 3.931 1.00 0.00 O ATOM 0 H GLU C 22 116.962 5.810 3.223 1.00 0.00 H new ATOM 0 HA GLU C 22 118.175 5.912 5.933 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.726 6.169 4.013 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.690 7.391 3.302 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.019 8.829 5.344 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.096 7.617 6.008 1.00 0.00 H new ATOM 123 N ASP C 23 116.728 7.763 6.716 1.00 0.00 N ATOM 124 CA ASP C 23 115.851 8.826 7.194 1.00 0.00 C ATOM 125 C ASP C 23 116.563 10.156 6.987 1.00 0.00 C ATOM 126 O ASP C 23 117.614 10.406 7.578 1.00 0.00 O ATOM 127 CB ASP C 23 115.507 8.612 8.682 1.00 0.00 C ATOM 128 CG ASP C 23 114.374 9.547 9.159 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.937 10.402 8.396 1.00 0.00 O ATOM 130 OD2 ASP C 23 113.959 9.389 10.296 1.00 0.00 O ATOM 0 H ASP C 23 117.203 7.241 7.452 1.00 0.00 H new ATOM 0 HA ASP C 23 114.913 8.819 6.638 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.210 7.575 8.839 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.397 8.784 9.287 1.00 0.00 H new ATOM 135 N VAL C 24 116.010 10.975 6.098 1.00 0.00 N ATOM 136 CA VAL C 24 116.615 12.268 5.750 1.00 0.00 C ATOM 137 C VAL C 24 115.719 13.449 6.116 1.00 0.00 C ATOM 138 O VAL C 24 116.155 14.603 6.040 1.00 0.00 O ATOM 139 CB VAL C 24 116.911 12.274 4.237 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.743 11.027 3.894 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.585 12.273 3.434 1.00 0.00 C ATOM 0 H VAL C 24 115.143 10.771 5.602 1.00 0.00 H new ATOM 0 HA VAL C 24 117.534 12.385 6.325 1.00 0.00 H new ATOM 0 HB VAL C 24 117.469 13.172 3.972 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.961 11.017 2.826 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.678 11.048 4.454 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.181 10.131 4.158 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.806 12.277 2.367 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.010 11.381 3.682 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.005 13.160 3.688 1.00 0.00 H new ATOM 151 N GLY C 25 114.463 13.164 6.483 1.00 0.00 N ATOM 152 CA GLY C 25 113.516 14.224 6.822 1.00 0.00 C ATOM 153 C GLY C 25 113.365 15.157 5.627 1.00 0.00 C ATOM 154 O GLY C 25 113.075 14.701 4.520 1.00 0.00 O ATOM 0 H GLY C 25 114.086 12.219 6.551 1.00 0.00 H new ATOM 0 HA2 GLY C 25 112.550 13.795 7.088 1.00 0.00 H new ATOM 0 HA3 GLY C 25 113.868 14.780 7.691 1.00 0.00 H new ATOM 158 N SER C 26 113.605 16.452 5.850 1.00 0.00 N ATOM 159 CA SER C 26 113.537 17.458 4.779 1.00 0.00 C ATOM 160 C SER C 26 112.241 17.345 3.956 1.00 0.00 C ATOM 161 O SER C 26 112.219 17.688 2.770 1.00 0.00 O ATOM 162 CB SER C 26 114.758 17.303 3.858 1.00 0.00 C ATOM 163 OG SER C 26 115.935 17.168 4.648 1.00 0.00 O ATOM 0 H SER C 26 113.849 16.832 6.764 1.00 0.00 H new ATOM 0 HA SER C 26 113.539 18.443 5.245 1.00 0.00 H new ATOM 0 HB2 SER C 26 114.635 16.430 3.217 1.00 0.00 H new ATOM 0 HB3 SER C 26 114.845 18.170 3.202 1.00 0.00 H new ATOM 0 HG SER C 26 115.978 16.262 5.018 1.00 0.00 H new ATOM 169 N ASN C 27 111.180 16.842 4.598 1.00 0.00 N ATOM 170 CA ASN C 27 109.875 16.647 3.944 1.00 0.00 C ATOM 171 C ASN C 27 109.953 15.556 2.867 1.00 0.00 C ATOM 172 O ASN C 27 108.961 15.270 2.190 1.00 0.00 O ATOM 173 CB ASN C 27 109.355 17.965 3.334 1.00 0.00 C ATOM 174 CG ASN C 27 109.394 19.090 4.370 1.00 0.00 C ATOM 175 OD1 ASN C 27 110.009 20.131 4.136 1.00 0.00 O ATOM 176 ND2 ASN C 27 108.766 18.945 5.504 1.00 0.00 N ATOM 0 H ASN C 27 111.198 16.560 5.578 1.00 0.00 H new ATOM 0 HA ASN C 27 109.171 16.323 4.710 1.00 0.00 H new ATOM 0 HB2 ASN C 27 109.962 18.237 2.471 1.00 0.00 H new ATOM 0 HB3 ASN C 27 108.335 17.829 2.976 1.00 0.00 H new ATOM 0 HD21 ASN C 27 108.784 19.694 6.197 1.00 0.00 H new ATOM 0 HD22 ASN C 27 108.256 18.083 5.698 1.00 0.00 H new ATOM 183 N LYS C 28 111.130 14.937 2.746 1.00 0.00 N ATOM 184 CA LYS C 28 111.358 13.853 1.790 1.00 0.00 C ATOM 185 C LYS C 28 111.201 12.497 2.479 1.00 0.00 C ATOM 186 O LYS C 28 111.285 11.449 1.831 1.00 0.00 O ATOM 187 CB LYS C 28 112.775 13.959 1.215 1.00 0.00 C ATOM 188 CG LYS C 28 112.931 15.264 0.422 1.00 0.00 C ATOM 189 CD LYS C 28 114.141 15.164 -0.518 1.00 0.00 C ATOM 190 CE LYS C 28 115.434 14.998 0.291 1.00 0.00 C ATOM 191 NZ LYS C 28 116.602 15.372 -0.558 1.00 0.00 N ATOM 0 H LYS C 28 111.949 15.173 3.307 1.00 0.00 H new ATOM 0 HA LYS C 28 110.625 13.938 0.988 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.506 13.927 2.023 1.00 0.00 H new ATOM 0 HB3 LYS C 28 112.977 13.106 0.568 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.027 15.459 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.060 16.102 1.107 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.016 14.318 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.204 16.059 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.402 15.626 1.181 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.533 13.967 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.479 15.260 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.635 14.755 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.508 16.362 -0.862 1.00 0.00 H new ATOM 205 N GLY C 29 110.999 12.529 3.800 1.00 0.00 N ATOM 206 CA GLY C 29 110.864 11.305 4.578 1.00 0.00 C ATOM 207 C GLY C 29 112.201 10.583 4.589 1.00 0.00 C ATOM 208 O GLY C 29 113.143 11.031 5.248 1.00 0.00 O ATOM 0 H GLY C 29 110.926 13.387 4.346 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.552 11.537 5.596 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.093 10.666 4.146 1.00 0.00 H new ATOM 212 N ALA C 30 112.283 9.482 3.838 1.00 0.00 N ATOM 213 CA ALA C 30 113.519 8.711 3.736 1.00 0.00 C ATOM 214 C ALA C 30 113.932 8.549 2.271 1.00 0.00 C ATOM 215 O ALA C 30 113.131 8.782 1.361 1.00 0.00 O ATOM 216 CB ALA C 30 113.342 7.338 4.382 1.00 0.00 C ATOM 0 H ALA C 30 111.507 9.107 3.293 1.00 0.00 H new ATOM 0 HA ALA C 30 114.305 9.252 4.263 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.271 6.774 4.299 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.086 7.461 5.434 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.543 6.798 3.875 1.00 0.00 H new ATOM 222 N ILE C 31 115.190 8.144 2.062 1.00 0.00 N ATOM 223 CA ILE C 31 115.732 7.939 0.717 1.00 0.00 C ATOM 224 C ILE C 31 116.029 6.466 0.498 1.00 0.00 C ATOM 225 O ILE C 31 116.562 5.795 1.384 1.00 0.00 O ATOM 226 CB ILE C 31 117.036 8.737 0.508 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.784 10.234 0.744 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.540 8.521 -0.925 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.065 11.046 0.486 1.00 0.00 C ATOM 0 H ILE C 31 115.853 7.951 2.812 1.00 0.00 H new ATOM 0 HA ILE C 31 114.984 8.288 0.005 1.00 0.00 H new ATOM 0 HB ILE C 31 117.786 8.388 1.218 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.988 10.582 0.086 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.445 10.394 1.768 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.461 9.084 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.732 7.460 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.785 8.865 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.866 12.104 0.658 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.851 10.710 1.162 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.386 10.901 -0.545 1.00 0.00 H new ATOM 241 N ILE C 32 115.705 5.985 -0.700 1.00 0.00 N ATOM 242 CA ILE C 32 115.957 4.598 -1.052 1.00 0.00 C ATOM 243 C ILE C 32 117.360 4.458 -1.625 1.00 0.00 C ATOM 244 O ILE C 32 117.676 5.007 -2.686 1.00 0.00 O ATOM 245 CB ILE C 32 114.899 4.088 -2.065 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.704 3.501 -1.299 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.478 3.003 -2.995 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.118 2.209 -0.566 1.00 0.00 C ATOM 0 H ILE C 32 115.269 6.537 -1.439 1.00 0.00 H new ATOM 0 HA ILE C 32 115.881 3.988 -0.152 1.00 0.00 H new ATOM 0 HB ILE C 32 114.587 4.934 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.331 4.231 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.889 3.289 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.707 2.671 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.319 3.414 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.818 2.156 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.260 1.805 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.469 1.476 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE C 32 114.918 2.432 0.141 1.00 0.00 H new ATOM 260 N GLY C 33 118.172 3.686 -0.918 1.00 0.00 N ATOM 261 CA GLY C 33 119.533 3.400 -1.328 1.00 0.00 C ATOM 262 C GLY C 33 119.786 1.916 -1.148 1.00 0.00 C ATOM 263 O GLY C 33 119.213 1.294 -0.249 1.00 0.00 O ATOM 0 H GLY C 33 117.902 3.240 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.684 3.687 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.238 3.980 -0.732 1.00 0.00 H new ATOM 267 N LEU C 34 120.625 1.348 -2.005 1.00 0.00 N ATOM 268 CA LEU C 34 120.929 -0.081 -1.925 1.00 0.00 C ATOM 269 C LEU C 34 122.421 -0.330 -1.882 1.00 0.00 C ATOM 270 O LEU C 34 123.223 0.470 -2.359 1.00 0.00 O ATOM 271 CB LEU C 34 120.325 -0.853 -3.101 1.00 0.00 C ATOM 272 CG LEU C 34 120.648 -0.145 -4.418 1.00 0.00 C ATOM 273 CD1 LEU C 34 120.937 -1.201 -5.496 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.467 0.756 -4.823 1.00 0.00 C ATOM 0 H LEU C 34 121.104 1.845 -2.756 1.00 0.00 H new ATOM 0 HA LEU C 34 120.481 -0.440 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.719 -1.869 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.245 -0.932 -2.977 1.00 0.00 H new ATOM 0 HG LEU C 34 121.530 0.485 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.168 -0.705 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU C 34 121.786 -1.811 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.062 -1.837 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.699 1.260 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.572 0.147 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.293 1.500 -4.045 1.00 0.00 H new ATOM 286 N MET C 35 122.756 -1.469 -1.307 1.00 0.00 N ATOM 287 CA MET C 35 124.142 -1.907 -1.171 1.00 0.00 C ATOM 288 C MET C 35 124.485 -2.856 -2.302 1.00 0.00 C ATOM 289 O MET C 35 123.655 -3.671 -2.691 1.00 0.00 O ATOM 290 CB MET C 35 124.317 -2.630 0.171 1.00 0.00 C ATOM 291 CG MET C 35 125.719 -3.249 0.293 1.00 0.00 C ATOM 292 SD MET C 35 126.778 -2.147 1.242 1.00 0.00 S ATOM 293 CE MET C 35 126.680 -3.096 2.763 1.00 0.00 C ATOM 0 H MET C 35 122.076 -2.123 -0.918 1.00 0.00 H new ATOM 0 HA MET C 35 124.803 -1.041 -1.209 1.00 0.00 H new ATOM 0 HB2 MET C 35 124.155 -1.928 0.989 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.563 -3.411 0.267 1.00 0.00 H new ATOM 0 HG2 MET C 35 125.658 -4.222 0.781 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.143 -3.415 -0.697 1.00 0.00 H new ATOM 0 HE1 MET C 35 127.104 -2.515 3.582 1.00 0.00 H new ATOM 0 HE2 MET C 35 125.637 -3.325 2.982 1.00 0.00 H new ATOM 0 HE3 MET C 35 127.239 -4.025 2.649 1.00 0.00 H new ATOM 303 N VAL C 36 125.716 -2.753 -2.804 1.00 0.00 N ATOM 304 CA VAL C 36 126.174 -3.626 -3.886 1.00 0.00 C ATOM 305 C VAL C 36 127.433 -4.392 -3.461 1.00 0.00 C ATOM 306 O VAL C 36 128.505 -3.800 -3.294 1.00 0.00 O ATOM 307 CB VAL C 36 126.479 -2.800 -5.153 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.553 -3.734 -6.368 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.381 -1.746 -5.387 1.00 0.00 C ATOM 0 H VAL C 36 126.410 -2.079 -2.482 1.00 0.00 H new ATOM 0 HA VAL C 36 125.379 -4.338 -4.106 1.00 0.00 H new ATOM 0 HB VAL C 36 127.433 -2.291 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL C 36 126.768 -3.150 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.344 -4.468 -6.215 1.00 0.00 H new ATOM 0 HG13 VAL C 36 125.599 -4.248 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.612 -1.173 -6.285 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.419 -2.244 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.333 -1.074 -4.530 1.00 0.00 H new ATOM 319 N GLY C 37 127.286 -5.714 -3.319 1.00 0.00 N ATOM 320 CA GLY C 37 128.391 -6.591 -2.946 1.00 0.00 C ATOM 321 C GLY C 37 128.874 -6.366 -1.521 1.00 0.00 C ATOM 322 O GLY C 37 129.030 -5.232 -1.077 1.00 0.00 O ATOM 0 H GLY C 37 126.400 -6.200 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.077 -7.629 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.221 -6.433 -3.634 1.00 0.00 H new ATOM 326 N GLY C 38 129.130 -7.474 -0.822 1.00 0.00 N ATOM 327 CA GLY C 38 129.633 -7.425 0.554 1.00 0.00 C ATOM 328 C GLY C 38 128.524 -7.159 1.568 1.00 0.00 C ATOM 329 O GLY C 38 127.337 -7.178 1.232 1.00 0.00 O ATOM 0 H GLY C 38 128.997 -8.417 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY C 38 130.122 -8.369 0.793 1.00 0.00 H new ATOM 0 HA3 GLY C 38 130.390 -6.645 0.634 1.00 0.00 H new ATOM 333 N VAL C 39 128.938 -6.923 2.818 1.00 0.00 N ATOM 334 CA VAL C 39 128.003 -6.661 3.918 1.00 0.00 C ATOM 335 C VAL C 39 128.449 -5.444 4.733 1.00 0.00 C ATOM 336 O VAL C 39 129.634 -5.107 4.773 1.00 0.00 O ATOM 337 CB VAL C 39 127.907 -7.896 4.836 1.00 0.00 C ATOM 338 CG1 VAL C 39 126.824 -7.676 5.907 1.00 0.00 C ATOM 339 CG2 VAL C 39 127.555 -9.137 4.001 1.00 0.00 C ATOM 0 H VAL C 39 129.920 -6.908 3.094 1.00 0.00 H new ATOM 0 HA VAL C 39 127.023 -6.452 3.490 1.00 0.00 H new ATOM 0 HB VAL C 39 128.869 -8.047 5.325 1.00 0.00 H new ATOM 0 HG11 VAL C 39 126.764 -8.554 6.550 1.00 0.00 H new ATOM 0 HG12 VAL C 39 127.079 -6.803 6.508 1.00 0.00 H new ATOM 0 HG13 VAL C 39 125.861 -7.515 5.423 1.00 0.00 H new ATOM 0 HG21 VAL C 39 127.488 -10.008 4.653 1.00 0.00 H new ATOM 0 HG22 VAL C 39 126.597 -8.982 3.504 1.00 0.00 H new ATOM 0 HG23 VAL C 39 128.329 -9.303 3.252 1.00 0.00 H new ATOM 349 N VAL C 40 127.474 -4.800 5.390 1.00 0.00 N ATOM 350 CA VAL C 40 127.724 -3.618 6.232 1.00 0.00 C ATOM 351 C VAL C 40 128.818 -3.903 7.281 1.00 0.00 C ATOM 352 O VAL C 40 128.666 -4.861 8.023 1.00 0.00 O ATOM 353 CB VAL C 40 126.411 -3.222 6.942 1.00 0.00 C ATOM 354 CG1 VAL C 40 126.664 -2.094 7.960 1.00 0.00 C ATOM 355 CG2 VAL C 40 125.380 -2.744 5.908 1.00 0.00 C ATOM 356 OXT VAL C 40 129.784 -3.158 7.323 1.00 0.00 O ATOM 0 H VAL C 40 126.494 -5.081 5.354 1.00 0.00 H new ATOM 0 HA VAL C 40 128.071 -2.802 5.598 1.00 0.00 H new ATOM 0 HB VAL C 40 126.029 -4.098 7.467 1.00 0.00 H new ATOM 0 HG11 VAL C 40 125.727 -1.829 8.450 1.00 0.00 H new ATOM 0 HG12 VAL C 40 127.381 -2.433 8.708 1.00 0.00 H new ATOM 0 HG13 VAL C 40 127.063 -1.221 7.444 1.00 0.00 H new ATOM 0 HG21 VAL C 40 124.457 -2.466 6.416 1.00 0.00 H new ATOM 0 HG22 VAL C 40 125.774 -1.879 5.374 1.00 0.00 H new ATOM 0 HG23 VAL C 40 125.177 -3.547 5.199 1.00 0.00 H new TER 366 VAL C 40 ATOM 367 N GLY E 14 131.841 -2.854 0.227 1.00 0.00 N ATOM 368 CA GLY E 14 130.766 -2.818 -0.764 1.00 0.00 C ATOM 369 C GLY E 14 130.464 -1.405 -1.261 1.00 0.00 C ATOM 370 O GLY E 14 130.603 -0.428 -0.521 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.039 -3.446 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.863 -3.246 -0.329 1.00 0.00 H new ATOM 374 N GLU E 15 129.998 -1.329 -2.514 1.00 0.00 N ATOM 375 CA GLU E 15 129.607 -0.058 -3.127 1.00 0.00 C ATOM 376 C GLU E 15 128.138 0.181 -2.817 1.00 0.00 C ATOM 377 O GLU E 15 127.319 -0.712 -3.012 1.00 0.00 O ATOM 378 CB GLU E 15 129.832 -0.117 -4.651 1.00 0.00 C ATOM 379 CG GLU E 15 129.324 1.175 -5.322 1.00 0.00 C ATOM 380 CD GLU E 15 129.565 1.130 -6.836 1.00 0.00 C ATOM 381 OE1 GLU E 15 129.022 0.244 -7.482 1.00 0.00 O ATOM 382 OE2 GLU E 15 130.281 1.988 -7.329 1.00 0.00 O ATOM 0 H GLU E 15 129.883 -2.138 -3.124 1.00 0.00 H new ATOM 0 HA GLU E 15 130.210 0.758 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.893 -0.251 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.312 -0.979 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.260 1.301 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.833 2.038 -4.893 1.00 0.00 H new ATOM 389 N ILE E 16 127.812 1.374 -2.312 1.00 0.00 N ATOM 390 CA ILE E 16 126.429 1.686 -1.952 1.00 0.00 C ATOM 391 C ILE E 16 125.839 2.754 -2.884 1.00 0.00 C ATOM 392 O ILE E 16 126.428 3.816 -3.100 1.00 0.00 O ATOM 393 CB ILE E 16 126.366 2.109 -0.473 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.074 1.028 0.387 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.900 2.227 -0.038 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.820 1.252 1.882 1.00 0.00 C ATOM 0 H ILE E 16 128.477 2.129 -2.145 1.00 0.00 H new ATOM 0 HA ILE E 16 125.816 0.794 -2.079 1.00 0.00 H new ATOM 0 HB ILE E 16 126.860 3.072 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.716 0.039 0.099 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.146 1.049 0.191 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.854 2.526 1.009 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.397 2.975 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.405 1.264 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.329 0.479 2.457 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.201 2.231 2.173 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.749 1.206 2.080 1.00 0.00 H new ATOM 408 N VAL E 17 124.678 2.407 -3.451 1.00 0.00 N ATOM 409 CA VAL E 17 123.945 3.246 -4.413 1.00 0.00 C ATOM 410 C VAL E 17 122.723 3.920 -3.787 1.00 0.00 C ATOM 411 O VAL E 17 122.043 3.335 -2.952 1.00 0.00 O ATOM 412 CB VAL E 17 123.464 2.346 -5.568 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.521 3.113 -6.528 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.675 1.822 -6.344 1.00 0.00 C ATOM 0 H VAL E 17 124.212 1.522 -3.253 1.00 0.00 H new ATOM 0 HA VAL E 17 124.619 4.030 -4.758 1.00 0.00 H new ATOM 0 HB VAL E 17 122.905 1.513 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.201 2.449 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.648 3.464 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.050 3.966 -6.952 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.336 1.185 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.239 2.662 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.314 1.245 -5.675 1.00 0.00 H new ATOM 424 N TYR E 18 122.438 5.138 -4.260 1.00 0.00 N ATOM 425 CA TYR E 18 121.267 5.904 -3.826 1.00 0.00 C ATOM 426 C TYR E 18 120.458 6.301 -5.055 1.00 0.00 C ATOM 427 O TYR E 18 120.992 6.954 -5.953 1.00 0.00 O ATOM 428 CB TYR E 18 121.696 7.164 -3.066 1.00 0.00 C ATOM 429 CG TYR E 18 121.942 6.815 -1.626 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.068 6.075 -1.272 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.037 7.234 -0.647 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.294 5.754 0.062 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.259 6.916 0.689 1.00 0.00 C ATOM 434 CZ TYR E 18 122.393 6.174 1.050 1.00 0.00 C ATOM 435 OH TYR E 18 122.621 5.857 2.374 1.00 0.00 O ATOM 0 H TYR E 18 123.012 5.619 -4.953 1.00 0.00 H new ATOM 0 HA TYR E 18 120.664 5.288 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.600 7.581 -3.511 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.922 7.928 -3.140 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.764 5.751 -2.032 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.164 7.805 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.166 5.180 0.337 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.560 7.240 1.446 1.00 0.00 H new ATOM 0 HH TYR E 18 122.327 6.598 2.943 1.00 0.00 H new ATOM 445 N LEU E 19 119.175 5.903 -5.088 1.00 0.00 N ATOM 446 CA LEU E 19 118.296 6.219 -6.222 1.00 0.00 C ATOM 447 C LEU E 19 117.100 7.087 -5.768 1.00 0.00 C ATOM 448 O LEU E 19 115.939 6.695 -5.934 1.00 0.00 O ATOM 449 CB LEU E 19 117.784 4.911 -6.864 1.00 0.00 C ATOM 450 CG LEU E 19 118.952 4.092 -7.462 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.483 2.675 -7.843 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.521 4.796 -8.706 1.00 0.00 C ATOM 0 H LEU E 19 118.727 5.365 -4.346 1.00 0.00 H new ATOM 0 HA LEU E 19 118.869 6.785 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.263 4.314 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.061 5.144 -7.646 1.00 0.00 H new ATOM 0 HG LEU E 19 119.732 4.016 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.319 2.115 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.112 2.163 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.685 2.742 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.342 4.206 -9.114 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.738 4.896 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.887 5.785 -8.429 1.00 0.00 H new ATOM 464 N PRO E 20 117.357 8.267 -5.221 1.00 0.00 N ATOM 465 CA PRO E 20 116.275 9.201 -4.765 1.00 0.00 C ATOM 466 C PRO E 20 115.502 9.778 -5.947 1.00 0.00 C ATOM 467 O PRO E 20 114.354 10.207 -5.806 1.00 0.00 O ATOM 468 CB PRO E 20 117.034 10.320 -4.037 1.00 0.00 C ATOM 469 CG PRO E 20 118.406 10.300 -4.618 1.00 0.00 C ATOM 470 CD PRO E 20 118.695 8.843 -4.977 1.00 0.00 C ATOM 0 HA PRO E 20 115.539 8.698 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.555 11.287 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO E 20 117.059 10.145 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.465 10.937 -5.500 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.137 10.677 -3.903 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.330 8.767 -5.860 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.211 8.327 -4.168 1.00 0.00 H new ATOM 478 N ASN E 21 116.170 9.805 -7.100 1.00 0.00 N ATOM 479 CA ASN E 21 115.591 10.357 -8.321 1.00 0.00 C ATOM 480 C ASN E 21 114.671 9.362 -9.033 1.00 0.00 C ATOM 481 O ASN E 21 114.064 9.720 -10.048 1.00 0.00 O ATOM 482 CB ASN E 21 116.723 10.776 -9.272 1.00 0.00 C ATOM 483 CG ASN E 21 117.612 11.841 -8.625 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.153 12.625 -7.791 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.867 11.920 -8.967 1.00 0.00 N ATOM 0 H ASN E 21 117.119 9.448 -7.212 1.00 0.00 H new ATOM 0 HA ASN E 21 114.985 11.218 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.324 9.905 -9.535 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.300 11.163 -10.199 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.467 12.629 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.249 11.273 -9.657 1.00 0.00 H new ATOM 492 N LEU E 22 114.556 8.125 -8.518 1.00 0.00 N ATOM 493 CA LEU E 22 113.690 7.135 -9.156 1.00 0.00 C ATOM 494 C LEU E 22 112.336 7.066 -8.479 1.00 0.00 C ATOM 495 O LEU E 22 112.231 7.007 -7.251 1.00 0.00 O ATOM 496 CB LEU E 22 114.347 5.748 -9.159 1.00 0.00 C ATOM 497 CG LEU E 22 115.621 5.765 -10.017 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.200 4.344 -10.137 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.341 6.329 -11.425 1.00 0.00 C ATOM 0 H LEU E 22 115.041 7.798 -7.682 1.00 0.00 H new ATOM 0 HA LEU E 22 113.541 7.454 -10.188 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.591 5.451 -8.139 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.648 5.008 -9.548 1.00 0.00 H new ATOM 0 HG LEU E 22 116.345 6.414 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU E 22 117.103 4.369 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU E 22 116.444 3.965 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU E 22 115.464 3.690 -10.604 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.262 6.328 -12.007 1.00 0.00 H new ATOM 0 HD22 LEU E 22 114.596 5.709 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU E 22 114.967 7.349 -11.340 1.00 0.00 H new ATOM 511 N ASN E 23 111.308 7.055 -9.317 1.00 0.00 N ATOM 512 CA ASN E 23 109.925 6.973 -8.853 1.00 0.00 C ATOM 513 C ASN E 23 109.643 5.554 -8.350 1.00 0.00 C ATOM 514 O ASN E 23 110.374 4.621 -8.700 1.00 0.00 O ATOM 515 CB ASN E 23 108.959 7.339 -9.996 1.00 0.00 C ATOM 516 CG ASN E 23 109.436 6.734 -11.317 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.306 5.533 -11.532 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.991 7.501 -12.215 1.00 0.00 N ATOM 0 H ASN E 23 111.405 7.102 -10.331 1.00 0.00 H new ATOM 0 HA ASN E 23 109.774 7.679 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.958 6.976 -9.764 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.891 8.423 -10.089 1.00 0.00 H new ATOM 0 HD21 ASN E 23 110.317 7.102 -13.095 1.00 0.00 H new ATOM 0 HD22 ASN E 23 110.099 8.499 -12.036 1.00 0.00 H new ATOM 525 N PRO E 24 108.615 5.362 -7.539 1.00 0.00 N ATOM 526 CA PRO E 24 108.273 4.010 -6.997 1.00 0.00 C ATOM 527 C PRO E 24 108.143 2.966 -8.106 1.00 0.00 C ATOM 528 O PRO E 24 108.437 1.789 -7.891 1.00 0.00 O ATOM 529 CB PRO E 24 106.932 4.223 -6.280 1.00 0.00 C ATOM 530 CG PRO E 24 106.880 5.681 -5.958 1.00 0.00 C ATOM 531 CD PRO E 24 107.678 6.397 -7.049 1.00 0.00 C ATOM 0 HA PRO E 24 109.050 3.627 -6.336 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.096 3.931 -6.916 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.870 3.619 -5.375 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.850 6.036 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.307 5.876 -4.974 1.00 0.00 H new ATOM 0 HD2 PRO E 24 107.029 6.759 -7.847 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.209 7.262 -6.653 1.00 0.00 H new ATOM 539 N ASP E 25 107.724 3.413 -9.293 1.00 0.00 N ATOM 540 CA ASP E 25 107.580 2.512 -10.432 1.00 0.00 C ATOM 541 C ASP E 25 108.950 1.993 -10.872 1.00 0.00 C ATOM 542 O ASP E 25 109.127 0.786 -11.060 1.00 0.00 O ATOM 543 CB ASP E 25 106.891 3.232 -11.598 1.00 0.00 C ATOM 544 CG ASP E 25 106.610 2.246 -12.733 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.596 1.567 -12.668 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.413 2.180 -13.651 1.00 0.00 O ATOM 0 H ASP E 25 107.481 4.385 -9.486 1.00 0.00 H new ATOM 0 HA ASP E 25 106.963 1.666 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.958 3.682 -11.258 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.523 4.043 -11.959 1.00 0.00 H new ATOM 551 N GLN E 26 109.916 2.911 -11.037 1.00 0.00 N ATOM 552 CA GLN E 26 111.256 2.530 -11.455 1.00 0.00 C ATOM 553 C GLN E 26 111.934 1.675 -10.385 1.00 0.00 C ATOM 554 O GLN E 26 112.579 0.674 -10.709 1.00 0.00 O ATOM 555 CB GLN E 26 112.097 3.782 -11.743 1.00 0.00 C ATOM 556 CG GLN E 26 113.342 3.379 -12.529 1.00 0.00 C ATOM 557 CD GLN E 26 112.956 2.841 -13.909 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.391 1.756 -14.297 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.162 3.535 -14.677 1.00 0.00 N ATOM 0 H GLN E 26 109.787 3.912 -10.887 1.00 0.00 H new ATOM 0 HA GLN E 26 111.176 1.939 -12.368 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.512 4.505 -12.311 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.383 4.266 -10.809 1.00 0.00 H new ATOM 0 HG2 GLN E 26 114.003 4.239 -12.640 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.896 2.619 -11.978 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.801 4.434 -14.358 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.903 3.179 -15.597 1.00 0.00 H new ATOM 568 N LEU E 27 111.783 2.070 -9.112 1.00 0.00 N ATOM 569 CA LEU E 27 112.388 1.315 -8.012 1.00 0.00 C ATOM 570 C LEU E 27 111.790 -0.091 -7.950 1.00 0.00 C ATOM 571 O LEU E 27 112.520 -1.069 -7.796 1.00 0.00 O ATOM 572 CB LEU E 27 112.186 2.043 -6.670 1.00 0.00 C ATOM 573 CG LEU E 27 112.919 3.402 -6.685 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.616 4.186 -5.401 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.441 3.190 -6.791 1.00 0.00 C ATOM 0 H LEU E 27 111.256 2.894 -8.825 1.00 0.00 H new ATOM 0 HA LEU E 27 113.459 1.236 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.122 2.197 -6.488 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.563 1.427 -5.853 1.00 0.00 H new ATOM 0 HG LEU E 27 112.568 3.965 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.140 5.142 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.543 4.362 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU E 27 112.950 3.612 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.943 4.157 -6.800 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.788 2.609 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.670 2.653 -7.711 1.00 0.00 H new ATOM 587 N CYS E 28 110.464 -0.192 -8.098 1.00 0.00 N ATOM 588 CA CYS E 28 109.800 -1.499 -8.080 1.00 0.00 C ATOM 589 C CYS E 28 110.251 -2.333 -9.279 1.00 0.00 C ATOM 590 O CYS E 28 110.523 -3.530 -9.146 1.00 0.00 O ATOM 591 CB CYS E 28 108.275 -1.327 -8.116 1.00 0.00 C ATOM 592 SG CYS E 28 107.693 -0.731 -6.507 1.00 0.00 S ATOM 0 H CYS E 28 109.838 0.603 -8.230 1.00 0.00 H new ATOM 0 HA CYS E 28 110.076 -2.013 -7.159 1.00 0.00 H new ATOM 0 HB2 CYS E 28 107.997 -0.621 -8.899 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.797 -2.276 -8.358 1.00 0.00 H new ATOM 597 N ALA E 29 110.326 -1.683 -10.448 1.00 0.00 N ATOM 598 CA ALA E 29 110.741 -2.351 -11.686 1.00 0.00 C ATOM 599 C ALA E 29 112.167 -2.883 -11.558 1.00 0.00 C ATOM 600 O ALA E 29 112.457 -4.026 -11.924 1.00 0.00 O ATOM 601 CB ALA E 29 110.681 -1.351 -12.849 1.00 0.00 C ATOM 0 H ALA E 29 110.104 -0.694 -10.561 1.00 0.00 H new ATOM 0 HA ALA E 29 110.067 -3.187 -11.874 1.00 0.00 H new ATOM 0 HB1 ALA E 29 110.989 -1.845 -13.770 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.661 -0.982 -12.959 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.350 -0.515 -12.645 1.00 0.00 H new ATOM 607 N PHE E 30 113.043 -2.033 -11.031 1.00 0.00 N ATOM 608 CA PHE E 30 114.448 -2.373 -10.835 1.00 0.00 C ATOM 609 C PHE E 30 114.599 -3.485 -9.789 1.00 0.00 C ATOM 610 O PHE E 30 115.281 -4.479 -10.028 1.00 0.00 O ATOM 611 CB PHE E 30 115.190 -1.097 -10.399 1.00 0.00 C ATOM 612 CG PHE E 30 116.594 -1.408 -9.920 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.519 -2.025 -10.774 1.00 0.00 C ATOM 614 CD2 PHE E 30 116.968 -1.068 -8.614 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.813 -2.300 -10.316 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.259 -1.341 -8.161 1.00 0.00 C ATOM 617 CZ PHE E 30 119.182 -1.957 -9.008 1.00 0.00 C ATOM 0 H PHE E 30 112.799 -1.090 -10.728 1.00 0.00 H new ATOM 0 HA PHE E 30 114.876 -2.750 -11.764 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.236 -0.398 -11.234 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.633 -0.605 -9.602 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.234 -2.287 -11.782 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.255 -0.593 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.527 -2.777 -10.971 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.545 -1.075 -7.154 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.181 -2.169 -8.655 1.00 0.00 H new ATOM 627 N ILE E 31 113.962 -3.288 -8.635 1.00 0.00 N ATOM 628 CA ILE E 31 114.016 -4.247 -7.524 1.00 0.00 C ATOM 629 C ILE E 31 113.512 -5.638 -7.927 1.00 0.00 C ATOM 630 O ILE E 31 114.024 -6.646 -7.429 1.00 0.00 O ATOM 631 CB ILE E 31 113.198 -3.670 -6.348 1.00 0.00 C ATOM 632 CG1 ILE E 31 113.997 -2.526 -5.715 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.905 -4.721 -5.267 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.103 -1.719 -4.773 1.00 0.00 C ATOM 0 H ILE E 31 113.395 -2.463 -8.441 1.00 0.00 H new ATOM 0 HA ILE E 31 115.055 -4.386 -7.225 1.00 0.00 H new ATOM 0 HB ILE E 31 112.243 -3.324 -6.743 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.849 -2.927 -5.166 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.397 -1.877 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.328 -4.265 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.335 -5.542 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.844 -5.104 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.681 -0.909 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.266 -1.303 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.724 -2.369 -3.985 1.00 0.00 H new ATOM 646 N HIS E 32 112.517 -5.694 -8.817 1.00 0.00 N ATOM 647 CA HIS E 32 111.974 -6.981 -9.256 1.00 0.00 C ATOM 648 C HIS E 32 113.040 -7.761 -10.024 1.00 0.00 C ATOM 649 O HIS E 32 113.316 -8.927 -9.724 1.00 0.00 O ATOM 650 CB HIS E 32 110.746 -6.746 -10.149 1.00 0.00 C ATOM 651 CG HIS E 32 109.993 -8.036 -10.347 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.069 -8.768 -11.523 1.00 0.00 N ATOM 653 CD2 HIS E 32 109.130 -8.727 -9.532 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.270 -9.843 -11.385 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.675 -9.866 -10.189 1.00 0.00 N ATOM 0 H HIS E 32 112.078 -4.877 -9.241 1.00 0.00 H new ATOM 0 HA HIS E 32 111.674 -7.561 -8.383 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.093 -6.001 -9.694 1.00 0.00 H new ATOM 0 HB3 HIS E 32 111.060 -6.348 -11.114 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.847 -8.431 -8.533 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.128 -10.594 -12.148 1.00 0.00 H new ATOM 0 HE2 HIS E 32 108.026 -10.568 -9.834 1.00 0.00 H new ATOM 664 N SER E 33 113.646 -7.087 -11.001 1.00 0.00 N ATOM 665 CA SER E 33 114.700 -7.682 -11.823 1.00 0.00 C ATOM 666 C SER E 33 115.958 -7.955 -10.994 1.00 0.00 C ATOM 667 O SER E 33 116.605 -8.995 -11.154 1.00 0.00 O ATOM 668 CB SER E 33 115.030 -6.724 -12.971 1.00 0.00 C ATOM 669 OG SER E 33 115.974 -7.331 -13.848 1.00 0.00 O ATOM 0 H SER E 33 113.423 -6.122 -11.244 1.00 0.00 H new ATOM 0 HA SER E 33 114.347 -8.635 -12.217 1.00 0.00 H new ATOM 0 HB2 SER E 33 114.122 -6.471 -13.518 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.434 -5.792 -12.575 1.00 0.00 H new ATOM 0 HG SER E 33 115.945 -6.884 -14.720 1.00 0.00 H new ATOM 675 N LEU E 34 116.290 -7.002 -10.120 1.00 0.00 N ATOM 676 CA LEU E 34 117.467 -7.098 -9.250 1.00 0.00 C ATOM 677 C LEU E 34 117.403 -8.363 -8.397 1.00 0.00 C ATOM 678 O LEU E 34 118.404 -9.065 -8.228 1.00 0.00 O ATOM 679 CB LEU E 34 117.499 -5.861 -8.341 1.00 0.00 C ATOM 680 CG LEU E 34 118.871 -5.711 -7.673 1.00 0.00 C ATOM 681 CD1 LEU E 34 119.933 -5.405 -8.745 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.811 -4.560 -6.652 1.00 0.00 C ATOM 0 H LEU E 34 115.753 -6.144 -9.995 1.00 0.00 H new ATOM 0 HA LEU E 34 118.369 -7.145 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.275 -4.969 -8.926 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.725 -5.945 -7.578 1.00 0.00 H new ATOM 0 HG LEU E 34 119.137 -6.636 -7.162 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.909 -5.298 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.968 -6.221 -9.466 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.676 -4.478 -9.258 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.784 -4.448 -6.173 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.549 -3.634 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.058 -4.783 -5.896 1.00 0.00 H new ATOM 694 N HIS E 35 116.211 -8.637 -7.868 1.00 0.00 N ATOM 695 CA HIS E 35 115.991 -9.813 -7.027 1.00 0.00 C ATOM 696 C HIS E 35 115.985 -11.103 -7.860 1.00 0.00 C ATOM 697 O HIS E 35 116.622 -12.092 -7.485 1.00 0.00 O ATOM 698 CB HIS E 35 114.658 -9.671 -6.283 1.00 0.00 C ATOM 699 CG HIS E 35 114.528 -10.773 -5.259 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.162 -10.715 -4.027 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.850 -11.967 -5.275 1.00 0.00 C ATOM 702 CE1 HIS E 35 114.856 -11.842 -3.360 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.060 -12.641 -4.075 1.00 0.00 N ATOM 0 H HIS E 35 115.382 -8.060 -8.007 1.00 0.00 H new ATOM 0 HA HIS E 35 116.810 -9.877 -6.311 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.605 -8.698 -5.794 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.829 -9.718 -6.989 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.246 -12.328 -6.094 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.211 -12.073 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS E 35 113.686 -13.550 -3.801 1.00 0.00 H new ATOM 712 N ASP E 36 115.239 -11.090 -8.973 1.00 0.00 N ATOM 713 CA ASP E 36 115.124 -12.270 -9.843 1.00 0.00 C ATOM 714 C ASP E 36 116.477 -12.716 -10.405 1.00 0.00 C ATOM 715 O ASP E 36 116.732 -13.919 -10.519 1.00 0.00 O ATOM 716 CB ASP E 36 114.167 -11.976 -11.012 1.00 0.00 C ATOM 717 CG ASP E 36 112.725 -11.741 -10.528 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.344 -12.289 -9.502 1.00 0.00 O ATOM 719 OD2 ASP E 36 112.014 -11.016 -11.206 1.00 0.00 O ATOM 0 H ASP E 36 114.708 -10.280 -9.292 1.00 0.00 H new ATOM 0 HA ASP E 36 114.732 -13.079 -9.227 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.516 -11.097 -11.554 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.183 -12.810 -11.713 1.00 0.00 H new ATOM 724 N ASP E 37 117.326 -11.751 -10.778 1.00 0.00 N ATOM 725 CA ASP E 37 118.639 -12.063 -11.358 1.00 0.00 C ATOM 726 C ASP E 37 119.768 -11.321 -10.619 1.00 0.00 C ATOM 727 O ASP E 37 120.209 -10.252 -11.057 1.00 0.00 O ATOM 728 CB ASP E 37 118.639 -11.682 -12.848 1.00 0.00 C ATOM 729 CG ASP E 37 117.687 -12.597 -13.626 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.492 -12.515 -13.388 1.00 0.00 O ATOM 731 OD2 ASP E 37 118.167 -13.364 -14.446 1.00 0.00 O ATOM 0 H ASP E 37 117.130 -10.754 -10.690 1.00 0.00 H new ATOM 0 HA ASP E 37 118.821 -13.132 -11.251 1.00 0.00 H new ATOM 0 HB2 ASP E 37 118.333 -10.642 -12.965 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.648 -11.765 -13.253 1.00 0.00 H new ATOM 736 N PRO E 38 120.245 -11.866 -9.510 1.00 0.00 N ATOM 737 CA PRO E 38 121.345 -11.236 -8.713 1.00 0.00 C ATOM 738 C PRO E 38 122.695 -11.313 -9.436 1.00 0.00 C ATOM 739 O PRO E 38 123.554 -10.448 -9.255 1.00 0.00 O ATOM 740 CB PRO E 38 121.361 -12.035 -7.406 1.00 0.00 C ATOM 741 CG PRO E 38 120.769 -13.364 -7.742 1.00 0.00 C ATOM 742 CD PRO E 38 119.795 -13.135 -8.899 1.00 0.00 C ATOM 0 HA PRO E 38 121.177 -10.171 -8.551 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.376 -12.143 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.782 -11.532 -6.632 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.547 -14.073 -8.026 1.00 0.00 H new ATOM 0 HG3 PRO E 38 120.253 -13.786 -6.880 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.829 -13.956 -9.616 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.767 -13.063 -8.545 1.00 0.00 H new ATOM 750 N SER E 39 122.866 -12.353 -10.257 1.00 0.00 N ATOM 751 CA SER E 39 124.107 -12.541 -11.015 1.00 0.00 C ATOM 752 C SER E 39 124.335 -11.370 -11.977 1.00 0.00 C ATOM 753 O SER E 39 125.475 -10.961 -12.209 1.00 0.00 O ATOM 754 CB SER E 39 124.043 -13.857 -11.801 1.00 0.00 C ATOM 755 OG SER E 39 125.263 -14.057 -12.509 1.00 0.00 O ATOM 0 H SER E 39 122.163 -13.076 -10.414 1.00 0.00 H new ATOM 0 HA SER E 39 124.940 -12.580 -10.313 1.00 0.00 H new ATOM 0 HB2 SER E 39 123.867 -14.690 -11.120 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.206 -13.834 -12.499 1.00 0.00 H new ATOM 0 HG SER E 39 125.169 -13.719 -13.424 1.00 0.00 H new ATOM 761 N GLN E 40 123.234 -10.846 -12.527 1.00 0.00 N ATOM 762 CA GLN E 40 123.278 -9.722 -13.467 1.00 0.00 C ATOM 763 C GLN E 40 123.032 -8.397 -12.737 1.00 0.00 C ATOM 764 O GLN E 40 122.864 -7.359 -13.377 1.00 0.00 O ATOM 765 CB GLN E 40 122.199 -9.917 -14.548 1.00 0.00 C ATOM 766 CG GLN E 40 122.670 -10.930 -15.598 1.00 0.00 C ATOM 767 CD GLN E 40 122.823 -12.316 -14.978 1.00 0.00 C ATOM 768 OE1 GLN E 40 124.014 -12.831 -14.840 1.00 0.00 O flip ATOM 769 NE2 GLN E 40 121.833 -12.946 -14.610 1.00 0.00 N flip ATOM 0 H GLN E 40 122.292 -11.187 -12.334 1.00 0.00 H new ATOM 0 HA GLN E 40 124.266 -9.690 -13.927 1.00 0.00 H new ATOM 0 HB2 GLN E 40 121.274 -10.264 -14.088 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.979 -8.963 -15.027 1.00 0.00 H new ATOM 0 HG2 GLN E 40 121.954 -10.970 -16.419 1.00 0.00 H new ATOM 0 HG3 GLN E 40 123.622 -10.608 -16.021 1.00 0.00 H new ATOM 0 HE21 GLN E 40 120.902 -12.543 -14.718 1.00 0.00 H new ATOM 0 HE22 GLN E 40 121.942 -13.872 -14.196 1.00 0.00 H new ATOM 778 N SER E 41 122.996 -8.441 -11.399 1.00 0.00 N ATOM 779 CA SER E 41 122.742 -7.237 -10.596 1.00 0.00 C ATOM 780 C SER E 41 123.675 -6.083 -10.968 1.00 0.00 C ATOM 781 O SER E 41 123.264 -4.922 -10.936 1.00 0.00 O ATOM 782 CB SER E 41 122.895 -7.553 -9.110 1.00 0.00 C ATOM 783 OG SER E 41 124.245 -7.904 -8.831 1.00 0.00 O ATOM 0 H SER E 41 123.138 -9.290 -10.853 1.00 0.00 H new ATOM 0 HA SER E 41 121.720 -6.922 -10.808 1.00 0.00 H new ATOM 0 HB2 SER E 41 122.603 -6.689 -8.513 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.231 -8.372 -8.832 1.00 0.00 H new ATOM 0 HG SER E 41 124.352 -8.875 -8.905 1.00 0.00 H new ATOM 789 N ALA E 42 124.919 -6.403 -11.328 1.00 0.00 N ATOM 790 CA ALA E 42 125.882 -5.370 -11.708 1.00 0.00 C ATOM 791 C ALA E 42 125.428 -4.658 -12.984 1.00 0.00 C ATOM 792 O ALA E 42 125.428 -3.425 -13.049 1.00 0.00 O ATOM 793 CB ALA E 42 127.262 -5.995 -11.928 1.00 0.00 C ATOM 0 H ALA E 42 125.280 -7.356 -11.364 1.00 0.00 H new ATOM 0 HA ALA E 42 125.942 -4.640 -10.901 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.972 -5.218 -12.211 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.595 -6.474 -11.007 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.202 -6.738 -12.723 1.00 0.00 H new ATOM 799 N ASN E 43 125.036 -5.447 -13.990 1.00 0.00 N ATOM 800 CA ASN E 43 124.572 -4.894 -15.265 1.00 0.00 C ATOM 801 C ASN E 43 123.225 -4.204 -15.094 1.00 0.00 C ATOM 802 O ASN E 43 123.015 -3.105 -15.606 1.00 0.00 O ATOM 803 CB ASN E 43 124.431 -6.009 -16.298 1.00 0.00 C ATOM 804 CG ASN E 43 124.409 -5.429 -17.708 1.00 0.00 C ATOM 805 OD1 ASN E 43 123.373 -4.952 -18.171 1.00 0.00 O ATOM 806 ND2 ASN E 43 125.498 -5.447 -18.422 1.00 0.00 N ATOM 0 H ASN E 43 125.031 -6.466 -13.946 1.00 0.00 H new ATOM 0 HA ASN E 43 125.307 -4.165 -15.606 1.00 0.00 H new ATOM 0 HB2 ASN E 43 125.259 -6.711 -16.200 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.514 -6.570 -16.114 1.00 0.00 H new ATOM 0 HD21 ASN E 43 125.494 -5.065 -19.368 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.355 -5.843 -18.035 1.00 0.00 H new ATOM 813 N LEU E 44 122.315 -4.867 -14.362 1.00 0.00 N ATOM 814 CA LEU E 44 120.973 -4.328 -14.106 1.00 0.00 C ATOM 815 C LEU E 44 121.074 -2.980 -13.398 1.00 0.00 C ATOM 816 O LEU E 44 120.372 -2.024 -13.738 1.00 0.00 O ATOM 817 CB LEU E 44 120.178 -5.305 -13.229 1.00 0.00 C ATOM 818 CG LEU E 44 119.915 -6.616 -13.991 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.403 -7.684 -13.016 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.867 -6.378 -15.089 1.00 0.00 C ATOM 0 H LEU E 44 122.486 -5.778 -13.937 1.00 0.00 H new ATOM 0 HA LEU E 44 120.462 -4.195 -15.059 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.730 -5.514 -12.313 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.232 -4.852 -12.934 1.00 0.00 H new ATOM 0 HG LEU E 44 120.844 -6.957 -14.448 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.217 -8.612 -13.557 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.151 -7.859 -12.242 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.477 -7.341 -12.555 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.684 -7.309 -15.626 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.938 -6.032 -14.636 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.234 -5.624 -15.785 1.00 0.00 H new ATOM 832 N LEU E 45 121.984 -2.919 -12.430 1.00 0.00 N ATOM 833 CA LEU E 45 122.225 -1.697 -11.683 1.00 0.00 C ATOM 834 C LEU E 45 122.761 -0.620 -12.615 1.00 0.00 C ATOM 835 O LEU E 45 122.429 0.556 -12.463 1.00 0.00 O ATOM 836 CB LEU E 45 123.216 -1.971 -10.552 1.00 0.00 C ATOM 837 CG LEU E 45 123.515 -0.678 -9.781 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.200 0.017 -9.370 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.354 -1.020 -8.541 1.00 0.00 C ATOM 0 H LEU E 45 122.567 -3.707 -12.147 1.00 0.00 H new ATOM 0 HA LEU E 45 121.289 -1.346 -11.249 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.807 -2.720 -9.874 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.140 -2.381 -10.960 1.00 0.00 H new ATOM 0 HG LEU E 45 124.073 0.008 -10.418 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.428 0.933 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.623 0.260 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.619 -0.650 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.572 -0.107 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.798 -1.708 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.288 -1.488 -8.852 1.00 0.00 H new ATOM 851 N ALA E 46 123.575 -1.034 -13.590 1.00 0.00 N ATOM 852 CA ALA E 46 124.135 -0.099 -14.565 1.00 0.00 C ATOM 853 C ALA E 46 122.997 0.661 -15.239 1.00 0.00 C ATOM 854 O ALA E 46 123.107 1.859 -15.514 1.00 0.00 O ATOM 855 CB ALA E 46 124.951 -0.869 -15.616 1.00 0.00 C ATOM 0 H ALA E 46 123.859 -2.005 -13.724 1.00 0.00 H new ATOM 0 HA ALA E 46 124.793 0.608 -14.060 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.366 -0.168 -16.340 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.762 -1.406 -15.125 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.304 -1.580 -16.130 1.00 0.00 H new ATOM 861 N GLU E 47 121.898 -0.058 -15.470 1.00 0.00 N ATOM 862 CA GLU E 47 120.710 0.521 -16.090 1.00 0.00 C ATOM 863 C GLU E 47 120.030 1.478 -15.141 1.00 0.00 C ATOM 864 O GLU E 47 119.592 2.549 -15.552 1.00 0.00 O ATOM 865 CB GLU E 47 119.696 -0.572 -16.437 1.00 0.00 C ATOM 866 CG GLU E 47 120.431 -1.783 -16.995 1.00 0.00 C ATOM 867 CD GLU E 47 119.484 -2.729 -17.751 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.685 -2.248 -18.543 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.588 -3.926 -17.544 1.00 0.00 O ATOM 0 H GLU E 47 121.808 -1.046 -15.235 1.00 0.00 H new ATOM 0 HA GLU E 47 121.036 1.041 -16.991 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.130 -0.853 -15.549 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.978 -0.199 -17.168 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.223 -1.450 -17.666 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.910 -2.324 -16.179 1.00 0.00 H new ATOM 876 N ALA E 48 119.929 1.066 -13.872 1.00 0.00 N ATOM 877 CA ALA E 48 119.274 1.883 -12.877 1.00 0.00 C ATOM 878 C ALA E 48 120.096 3.126 -12.605 1.00 0.00 C ATOM 879 O ALA E 48 119.550 4.166 -12.253 1.00 0.00 O ATOM 880 CB ALA E 48 119.020 1.108 -11.590 1.00 0.00 C ATOM 0 H ALA E 48 120.293 0.179 -13.524 1.00 0.00 H new ATOM 0 HA ALA E 48 118.302 2.180 -13.270 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.526 1.756 -10.866 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.383 0.249 -11.802 1.00 0.00 H new ATOM 0 HB3 ALA E 48 119.969 0.763 -11.180 1.00 0.00 H new ATOM 886 N LYS E 49 121.412 3.009 -12.792 1.00 0.00 N ATOM 887 CA LYS E 49 122.304 4.141 -12.599 1.00 0.00 C ATOM 888 C LYS E 49 122.052 5.122 -13.732 1.00 0.00 C ATOM 889 O LYS E 49 121.861 6.318 -13.511 1.00 0.00 O ATOM 890 CB LYS E 49 123.770 3.683 -12.612 1.00 0.00 C ATOM 891 CG LYS E 49 124.497 4.068 -11.304 1.00 0.00 C ATOM 892 CD LYS E 49 124.829 2.801 -10.506 1.00 0.00 C ATOM 893 CE LYS E 49 123.873 2.683 -9.330 1.00 0.00 C ATOM 894 NZ LYS E 49 122.472 2.967 -9.770 1.00 0.00 N ATOM 0 H LYS E 49 121.876 2.146 -13.075 1.00 0.00 H new ATOM 0 HA LYS E 49 122.113 4.610 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.813 2.602 -12.749 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.285 4.132 -13.461 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.411 4.616 -11.532 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.869 4.730 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.747 1.922 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.858 2.841 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS E 49 123.932 1.681 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS E 49 124.163 3.381 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 121.804 2.582 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 122.335 3.995 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 122.302 2.522 -10.695 1.00 0.00 H new ATOM 908 N LYS E 50 122.000 4.580 -14.952 1.00 0.00 N ATOM 909 CA LYS E 50 121.703 5.384 -16.130 1.00 0.00 C ATOM 910 C LYS E 50 120.303 5.980 -15.956 1.00 0.00 C ATOM 911 O LYS E 50 120.024 7.092 -16.403 1.00 0.00 O ATOM 912 CB LYS E 50 121.784 4.506 -17.386 1.00 0.00 C ATOM 913 CG LYS E 50 123.261 4.149 -17.668 1.00 0.00 C ATOM 914 CD LYS E 50 123.368 2.824 -18.449 1.00 0.00 C ATOM 915 CE LYS E 50 122.635 2.927 -19.790 1.00 0.00 C ATOM 916 NZ LYS E 50 123.256 1.992 -20.773 1.00 0.00 N ATOM 0 H LYS E 50 122.160 3.591 -15.144 1.00 0.00 H new ATOM 0 HA LYS E 50 122.426 6.192 -16.244 1.00 0.00 H new ATOM 0 HB2 LYS E 50 121.199 3.597 -17.246 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.356 5.032 -18.239 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.730 4.951 -18.238 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.805 4.066 -16.727 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.417 2.580 -18.620 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.944 2.012 -17.858 1.00 0.00 H new ATOM 0 HE2 LYS E 50 121.580 2.685 -19.659 1.00 0.00 H new ATOM 0 HE3 LYS E 50 122.683 3.949 -20.165 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.757 2.063 -21.683 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 124.257 2.243 -20.906 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 123.188 1.018 -20.416 1.00 0.00 H new ATOM 930 N LEU E 51 119.453 5.222 -15.248 1.00 0.00 N ATOM 931 CA LEU E 51 118.089 5.643 -14.931 1.00 0.00 C ATOM 932 C LEU E 51 118.151 6.760 -13.890 1.00 0.00 C ATOM 933 O LEU E 51 117.408 7.742 -13.965 1.00 0.00 O ATOM 934 CB LEU E 51 117.322 4.445 -14.347 1.00 0.00 C ATOM 935 CG LEU E 51 115.966 4.215 -15.029 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.095 5.487 -14.996 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.177 3.757 -16.483 1.00 0.00 C ATOM 0 H LEU E 51 119.696 4.302 -14.881 1.00 0.00 H new ATOM 0 HA LEU E 51 117.584 6.000 -15.829 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.931 3.546 -14.447 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.164 4.606 -13.281 1.00 0.00 H new ATOM 0 HG LEU E 51 115.441 3.435 -14.477 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.142 5.289 -15.487 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.916 5.778 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.610 6.294 -15.516 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.209 3.597 -16.958 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.727 4.523 -17.030 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.745 2.826 -16.493 1.00 0.00 H new ATOM 949 N ASN E 52 119.071 6.591 -12.923 1.00 0.00 N ATOM 950 CA ASN E 52 119.279 7.574 -11.859 1.00 0.00 C ATOM 951 C ASN E 52 119.588 8.923 -12.497 1.00 0.00 C ATOM 952 O ASN E 52 119.111 9.969 -12.049 1.00 0.00 O ATOM 953 CB ASN E 52 120.450 7.139 -10.944 1.00 0.00 C ATOM 954 CG ASN E 52 120.574 8.104 -9.772 1.00 0.00 C ATOM 955 OD1 ASN E 52 121.610 8.746 -9.597 1.00 0.00 O ATOM 956 ND2 ASN E 52 119.571 8.255 -8.962 1.00 0.00 N ATOM 0 H ASN E 52 119.682 5.777 -12.862 1.00 0.00 H new ATOM 0 HA ASN E 52 118.379 7.648 -11.248 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.280 6.127 -10.577 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.380 7.121 -11.512 1.00 0.00 H new ATOM 0 HD21 ASN E 52 119.641 8.906 -8.180 1.00 0.00 H new ATOM 0 HD22 ASN E 52 118.713 7.723 -9.108 1.00 0.00 H new ATOM 963 N ASP E 53 120.373 8.860 -13.571 1.00 0.00 N ATOM 964 CA ASP E 53 120.752 10.047 -14.334 1.00 0.00 C ATOM 965 C ASP E 53 119.611 10.466 -15.273 1.00 0.00 C ATOM 966 O ASP E 53 119.467 11.645 -15.605 1.00 0.00 O ATOM 967 CB ASP E 53 122.020 9.761 -15.158 1.00 0.00 C ATOM 968 CG ASP E 53 123.208 9.452 -14.238 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.565 10.312 -13.446 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.755 8.366 -14.349 1.00 0.00 O ATOM 0 H ASP E 53 120.762 7.990 -13.935 1.00 0.00 H new ATOM 0 HA ASP E 53 120.952 10.859 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.843 8.918 -15.826 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.254 10.621 -15.785 1.00 0.00 H new ATOM 975 N ALA E 54 118.817 9.480 -15.704 1.00 0.00 N ATOM 976 CA ALA E 54 117.693 9.722 -16.617 1.00 0.00 C ATOM 977 C ALA E 54 116.597 10.556 -15.950 1.00 0.00 C ATOM 978 O ALA E 54 115.805 11.205 -16.638 1.00 0.00 O ATOM 979 CB ALA E 54 117.099 8.384 -17.084 1.00 0.00 C ATOM 0 H ALA E 54 118.932 8.503 -15.434 1.00 0.00 H new ATOM 0 HA ALA E 54 118.076 10.279 -17.472 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.266 8.572 -17.761 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.865 7.807 -17.603 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.745 7.822 -16.220 1.00 0.00 H new ATOM 985 N GLN E 55 116.552 10.521 -14.613 1.00 0.00 N ATOM 986 CA GLN E 55 115.542 11.265 -13.846 1.00 0.00 C ATOM 987 C GLN E 55 116.213 12.220 -12.859 1.00 0.00 C ATOM 988 O GLN E 55 115.550 12.843 -12.024 1.00 0.00 O ATOM 989 CB GLN E 55 114.633 10.278 -13.097 1.00 0.00 C ATOM 990 CG GLN E 55 113.969 9.333 -14.112 1.00 0.00 C ATOM 991 CD GLN E 55 112.912 8.441 -13.445 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.242 7.666 -14.127 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.717 8.498 -12.156 1.00 0.00 N ATOM 0 H GLN E 55 117.203 9.986 -14.038 1.00 0.00 H new ATOM 0 HA GLN E 55 114.939 11.856 -14.536 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.215 9.705 -12.375 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.872 10.820 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.504 9.918 -14.905 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.730 8.709 -14.581 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.269 9.138 -11.585 1.00 0.00 H new ATOM 0 HE22 GLN E 55 112.013 7.903 -11.720 1.00 0.00 H new ATOM 1002 N ALA E 56 117.536 12.312 -12.972 1.00 0.00 N ATOM 1003 CA ALA E 56 118.343 13.158 -12.119 1.00 0.00 C ATOM 1004 C ALA E 56 117.884 14.616 -12.178 1.00 0.00 C ATOM 1005 O ALA E 56 117.239 15.042 -13.141 1.00 0.00 O ATOM 1006 CB ALA E 56 119.808 13.051 -12.553 1.00 0.00 C ATOM 0 H ALA E 56 118.075 11.794 -13.666 1.00 0.00 H new ATOM 0 HA ALA E 56 118.231 12.820 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.424 13.686 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.139 12.016 -12.464 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.905 13.375 -13.589 1.00 0.00 H new TER 1012 ALA E 56 ATOM 1013 N GLY F 14 118.213 10.663 10.124 1.00 0.00 N ATOM 1014 CA GLY F 14 119.613 10.227 10.131 1.00 0.00 C ATOM 1015 C GLY F 14 119.735 8.742 10.406 1.00 0.00 C ATOM 1016 O GLY F 14 120.845 8.203 10.428 1.00 0.00 O ATOM 0 HA2 GLY F 14 120.071 10.458 9.169 1.00 0.00 H new ATOM 0 HA3 GLY F 14 120.164 10.784 10.889 1.00 0.00 H new ATOM 1020 N GLU F 15 118.599 8.086 10.615 1.00 0.00 N ATOM 1021 CA GLU F 15 118.594 6.664 10.887 1.00 0.00 C ATOM 1022 C GLU F 15 118.429 5.884 9.597 1.00 0.00 C ATOM 1023 O GLU F 15 117.670 6.281 8.712 1.00 0.00 O ATOM 1024 CB GLU F 15 117.455 6.311 11.831 1.00 0.00 C ATOM 1025 CG GLU F 15 117.758 4.962 12.469 1.00 0.00 C ATOM 1026 CD GLU F 15 116.636 4.550 13.428 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.534 4.315 12.958 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.897 4.467 14.618 1.00 0.00 O ATOM 0 H GLU F 15 117.676 8.519 10.600 1.00 0.00 H new ATOM 0 HA GLU F 15 119.544 6.402 11.352 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.347 7.078 12.598 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.511 6.270 11.287 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.875 4.206 11.693 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.703 5.014 13.009 1.00 0.00 H new ATOM 1035 N ILE F 16 119.144 4.770 9.510 1.00 0.00 N ATOM 1036 CA ILE F 16 119.093 3.910 8.336 1.00 0.00 C ATOM 1037 C ILE F 16 118.518 2.542 8.702 1.00 0.00 C ATOM 1038 O ILE F 16 118.710 2.050 9.818 1.00 0.00 O ATOM 1039 CB ILE F 16 120.500 3.769 7.753 1.00 0.00 C ATOM 1040 CG1 ILE F 16 120.983 5.135 7.222 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.496 2.734 6.613 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.444 5.039 6.762 1.00 0.00 C ATOM 0 H ILE F 16 119.770 4.440 10.244 1.00 0.00 H new ATOM 0 HA ILE F 16 118.440 4.357 7.586 1.00 0.00 H new ATOM 0 HB ILE F 16 121.178 3.429 8.536 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.353 5.454 6.392 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.889 5.890 8.002 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.502 2.640 6.204 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.170 1.768 6.999 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.814 3.060 5.828 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.773 6.009 6.390 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.071 4.741 7.602 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.527 4.298 5.967 1.00 0.00 H new ATOM 1054 N VAL F 17 117.796 1.957 7.745 1.00 0.00 N ATOM 1055 CA VAL F 17 117.152 0.657 7.927 1.00 0.00 C ATOM 1056 C VAL F 17 117.481 -0.270 6.751 1.00 0.00 C ATOM 1057 O VAL F 17 117.088 0.008 5.618 1.00 0.00 O ATOM 1058 CB VAL F 17 115.635 0.910 8.019 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.827 -0.361 7.698 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.286 1.399 9.432 1.00 0.00 C ATOM 0 H VAL F 17 117.642 2.370 6.825 1.00 0.00 H new ATOM 0 HA VAL F 17 117.511 0.168 8.833 1.00 0.00 H new ATOM 0 HB VAL F 17 115.372 1.669 7.282 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.762 -0.143 7.773 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.059 -0.694 6.686 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.088 -1.147 8.407 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.213 1.579 9.500 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.574 0.641 10.161 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.823 2.325 9.640 1.00 0.00 H new ATOM 1070 N TYR F 18 118.188 -1.377 7.036 1.00 0.00 N ATOM 1071 CA TYR F 18 118.557 -2.346 5.993 1.00 0.00 C ATOM 1072 C TYR F 18 117.523 -3.455 5.903 1.00 0.00 C ATOM 1073 O TYR F 18 117.033 -3.950 6.922 1.00 0.00 O ATOM 1074 CB TYR F 18 119.957 -2.933 6.272 1.00 0.00 C ATOM 1075 CG TYR F 18 120.999 -2.123 5.522 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.961 -0.725 5.581 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.985 -2.760 4.755 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.897 0.031 4.881 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.925 -1.997 4.053 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.881 -0.601 4.116 1.00 0.00 C ATOM 1081 OH TYR F 18 123.808 0.149 3.426 1.00 0.00 O ATOM 0 H TYR F 18 118.512 -1.621 7.972 1.00 0.00 H new ATOM 0 HA TYR F 18 118.585 -1.826 5.036 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.165 -2.914 7.342 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.996 -3.976 5.958 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.203 -0.231 6.171 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.019 -3.838 4.706 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.863 1.109 4.929 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.685 -2.487 3.462 1.00 0.00 H new ATOM 0 HH TYR F 18 123.390 0.529 2.625 1.00 0.00 H new ATOM 1091 N LEU F 19 117.172 -3.804 4.660 1.00 0.00 N ATOM 1092 CA LEU F 19 116.153 -4.827 4.402 1.00 0.00 C ATOM 1093 C LEU F 19 116.709 -5.966 3.520 1.00 0.00 C ATOM 1094 O LEU F 19 116.392 -6.050 2.328 1.00 0.00 O ATOM 1095 CB LEU F 19 114.933 -4.156 3.729 1.00 0.00 C ATOM 1096 CG LEU F 19 114.551 -2.850 4.472 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.844 -1.889 3.512 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.627 -3.180 5.653 1.00 0.00 C ATOM 0 H LEU F 19 117.578 -3.394 3.819 1.00 0.00 H new ATOM 0 HA LEU F 19 115.850 -5.276 5.348 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.162 -3.934 2.687 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.087 -4.843 3.730 1.00 0.00 H new ATOM 0 HG LEU F 19 115.457 -2.373 4.846 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.579 -0.974 4.042 1.00 0.00 H new ATOM 0 HD12 LEU F 19 114.509 -1.648 2.683 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.940 -2.360 3.127 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.360 -2.261 6.174 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.723 -3.664 5.283 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.142 -3.850 6.341 1.00 0.00 H new ATOM 1110 N PRO F 20 117.531 -6.842 4.082 1.00 0.00 N ATOM 1111 CA PRO F 20 118.135 -7.990 3.333 1.00 0.00 C ATOM 1112 C PRO F 20 117.195 -9.199 3.213 1.00 0.00 C ATOM 1113 O PRO F 20 117.040 -9.761 2.126 1.00 0.00 O ATOM 1114 CB PRO F 20 119.367 -8.337 4.169 1.00 0.00 C ATOM 1115 CG PRO F 20 118.995 -7.985 5.572 1.00 0.00 C ATOM 1116 CD PRO F 20 117.985 -6.833 5.489 1.00 0.00 C ATOM 0 HA PRO F 20 118.358 -7.726 2.299 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.619 -9.394 4.081 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.239 -7.773 3.839 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.560 -8.844 6.083 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.875 -7.687 6.142 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.152 -6.984 6.176 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.446 -5.881 5.752 1.00 0.00 H new ATOM 1124 N ASN F 21 116.593 -9.605 4.340 1.00 0.00 N ATOM 1125 CA ASN F 21 115.690 -10.770 4.362 1.00 0.00 C ATOM 1126 C ASN F 21 114.255 -10.405 3.945 1.00 0.00 C ATOM 1127 O ASN F 21 113.350 -11.242 4.019 1.00 0.00 O ATOM 1128 CB ASN F 21 115.690 -11.398 5.766 1.00 0.00 C ATOM 1129 CG ASN F 21 117.080 -11.947 6.115 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.804 -12.429 5.241 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.495 -11.909 7.350 1.00 0.00 N ATOM 0 H ASN F 21 116.712 -9.149 5.244 1.00 0.00 H new ATOM 0 HA ASN F 21 116.062 -11.490 3.633 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.392 -10.652 6.503 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.955 -12.201 5.810 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.415 -12.277 7.590 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.899 -11.511 8.076 1.00 0.00 H new ATOM 1138 N LEU F 22 114.061 -9.165 3.491 1.00 0.00 N ATOM 1139 CA LEU F 22 112.743 -8.698 3.044 1.00 0.00 C ATOM 1140 C LEU F 22 112.495 -9.168 1.606 1.00 0.00 C ATOM 1141 O LEU F 22 113.451 -9.335 0.841 1.00 0.00 O ATOM 1142 CB LEU F 22 112.708 -7.164 3.106 1.00 0.00 C ATOM 1143 CG LEU F 22 111.293 -6.650 3.453 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.226 -6.298 4.948 1.00 0.00 C ATOM 1145 CD2 LEU F 22 110.992 -5.402 2.604 1.00 0.00 C ATOM 0 H LEU F 22 114.799 -8.464 3.422 1.00 0.00 H new ATOM 0 HA LEU F 22 111.966 -9.106 3.690 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.419 -6.812 3.853 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.022 -6.752 2.147 1.00 0.00 H new ATOM 0 HG LEU F 22 110.554 -7.422 3.239 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.227 -5.935 5.192 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.445 -7.186 5.541 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.958 -5.523 5.172 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.995 -5.032 2.842 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.728 -4.628 2.821 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.040 -5.661 1.546 1.00 0.00 H new ATOM 1157 N ASN F 23 111.222 -9.368 1.230 1.00 0.00 N ATOM 1158 CA ASN F 23 110.904 -9.807 -0.134 1.00 0.00 C ATOM 1159 C ASN F 23 110.692 -8.583 -1.027 1.00 0.00 C ATOM 1160 O ASN F 23 110.258 -7.533 -0.542 1.00 0.00 O ATOM 1161 CB ASN F 23 109.660 -10.714 -0.146 1.00 0.00 C ATOM 1162 CG ASN F 23 108.508 -10.080 0.626 1.00 0.00 C ATOM 1163 OD1 ASN F 23 107.584 -9.536 0.027 1.00 0.00 O ATOM 1164 ND2 ASN F 23 108.502 -10.130 1.930 1.00 0.00 N ATOM 0 H ASN F 23 110.413 -9.236 1.838 1.00 0.00 H new ATOM 0 HA ASN F 23 111.739 -10.391 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.353 -10.901 -1.175 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.907 -11.681 0.293 1.00 0.00 H new ATOM 0 HD21 ASN F 23 107.729 -9.717 2.453 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.270 -10.582 2.427 1.00 0.00 H new ATOM 1171 N PRO F 24 111.007 -8.672 -2.307 1.00 0.00 N ATOM 1172 CA PRO F 24 110.857 -7.514 -3.240 1.00 0.00 C ATOM 1173 C PRO F 24 109.418 -7.023 -3.300 1.00 0.00 C ATOM 1174 O PRO F 24 109.174 -5.819 -3.431 1.00 0.00 O ATOM 1175 CB PRO F 24 111.331 -8.050 -4.598 1.00 0.00 C ATOM 1176 CG PRO F 24 111.267 -9.537 -4.480 1.00 0.00 C ATOM 1177 CD PRO F 24 111.524 -9.862 -3.010 1.00 0.00 C ATOM 0 HA PRO F 24 111.436 -6.649 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.693 -7.692 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.345 -7.717 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.293 -9.911 -4.796 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.013 -10.010 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO F 24 111.005 -10.769 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.584 -10.018 -2.811 1.00 0.00 H new ATOM 1185 N ASP F 25 108.467 -7.954 -3.167 1.00 0.00 N ATOM 1186 CA ASP F 25 107.053 -7.590 -3.167 1.00 0.00 C ATOM 1187 C ASP F 25 106.803 -6.619 -2.014 1.00 0.00 C ATOM 1188 O ASP F 25 106.070 -5.636 -2.158 1.00 0.00 O ATOM 1189 CB ASP F 25 106.176 -8.839 -3.010 1.00 0.00 C ATOM 1190 CG ASP F 25 104.698 -8.462 -3.145 1.00 0.00 C ATOM 1191 OD1 ASP F 25 104.229 -8.376 -4.269 1.00 0.00 O ATOM 1192 OD2 ASP F 25 104.060 -8.262 -2.123 1.00 0.00 O ATOM 0 H ASP F 25 108.651 -8.952 -3.060 1.00 0.00 H new ATOM 0 HA ASP F 25 106.795 -7.117 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.442 -9.577 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP F 25 106.355 -9.299 -2.038 1.00 0.00 H new ATOM 1197 N GLN F 26 107.462 -6.896 -0.879 1.00 0.00 N ATOM 1198 CA GLN F 26 107.361 -6.045 0.292 1.00 0.00 C ATOM 1199 C GLN F 26 108.048 -4.702 0.023 1.00 0.00 C ATOM 1200 O GLN F 26 107.549 -3.655 0.439 1.00 0.00 O ATOM 1201 CB GLN F 26 107.996 -6.731 1.503 1.00 0.00 C ATOM 1202 CG GLN F 26 107.681 -5.936 2.773 1.00 0.00 C ATOM 1203 CD GLN F 26 106.225 -6.153 3.180 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.830 -7.275 3.491 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.401 -5.143 3.191 1.00 0.00 N ATOM 0 H GLN F 26 108.069 -7.707 -0.758 1.00 0.00 H new ATOM 0 HA GLN F 26 106.308 -5.866 0.508 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.617 -7.749 1.596 1.00 0.00 H new ATOM 0 HB3 GLN F 26 109.075 -6.804 1.367 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.343 -6.248 3.581 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.865 -4.875 2.602 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.731 -4.213 2.933 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.427 -5.283 3.458 1.00 0.00 H new ATOM 1214 N LEU F 27 109.199 -4.741 -0.679 1.00 0.00 N ATOM 1215 CA LEU F 27 109.940 -3.512 -0.995 1.00 0.00 C ATOM 1216 C LEU F 27 109.096 -2.558 -1.830 1.00 0.00 C ATOM 1217 O LEU F 27 109.121 -1.356 -1.592 1.00 0.00 O ATOM 1218 CB LEU F 27 111.238 -3.812 -1.760 1.00 0.00 C ATOM 1219 CG LEU F 27 112.296 -4.434 -0.830 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.528 -4.841 -1.651 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.721 -3.412 0.242 1.00 0.00 C ATOM 0 H LEU F 27 109.627 -5.597 -1.031 1.00 0.00 H new ATOM 0 HA LEU F 27 110.185 -3.047 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.029 -4.493 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.628 -2.892 -2.196 1.00 0.00 H new ATOM 0 HG LEU F 27 111.868 -5.312 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.276 -5.281 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.237 -5.570 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU F 27 113.947 -3.961 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.469 -3.860 0.895 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.143 -2.531 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU F 27 111.852 -3.121 0.832 1.00 0.00 H new ATOM 1233 N CYS F 28 108.355 -3.088 -2.809 1.00 0.00 N ATOM 1234 CA CYS F 28 107.512 -2.237 -3.660 1.00 0.00 C ATOM 1235 C CYS F 28 106.451 -1.538 -2.808 1.00 0.00 C ATOM 1236 O CYS F 28 106.221 -0.333 -2.946 1.00 0.00 O ATOM 1237 CB CYS F 28 106.846 -3.070 -4.763 1.00 0.00 C ATOM 1238 SG CYS F 28 106.164 -1.966 -6.030 1.00 0.00 S ATOM 0 H CYS F 28 108.320 -4.083 -3.031 1.00 0.00 H new ATOM 0 HA CYS F 28 108.140 -1.482 -4.133 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.573 -3.748 -5.210 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.054 -3.687 -4.339 1.00 0.00 H new ATOM 1243 N ALA F 29 105.842 -2.303 -1.901 1.00 0.00 N ATOM 1244 CA ALA F 29 104.837 -1.759 -0.994 1.00 0.00 C ATOM 1245 C ALA F 29 105.488 -0.727 -0.074 1.00 0.00 C ATOM 1246 O ALA F 29 104.935 0.349 0.171 1.00 0.00 O ATOM 1247 CB ALA F 29 104.242 -2.892 -0.149 1.00 0.00 C ATOM 0 H ALA F 29 106.028 -3.298 -1.777 1.00 0.00 H new ATOM 0 HA ALA F 29 104.045 -1.284 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.491 -2.485 0.528 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.778 -3.629 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.033 -3.368 0.430 1.00 0.00 H new ATOM 1253 N PHE F 30 106.670 -1.081 0.427 1.00 0.00 N ATOM 1254 CA PHE F 30 107.426 -0.217 1.328 1.00 0.00 C ATOM 1255 C PHE F 30 107.788 1.106 0.651 1.00 0.00 C ATOM 1256 O PHE F 30 107.488 2.176 1.181 1.00 0.00 O ATOM 1257 CB PHE F 30 108.700 -0.967 1.764 1.00 0.00 C ATOM 1258 CG PHE F 30 109.622 -0.066 2.564 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.155 0.569 3.724 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.949 0.130 2.144 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.009 1.395 4.458 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.797 0.956 2.882 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.327 1.589 4.038 1.00 0.00 C ATOM 0 H PHE F 30 107.127 -1.969 0.221 1.00 0.00 H new ATOM 0 HA PHE F 30 106.815 0.022 2.199 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.426 -1.835 2.363 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.225 -1.339 0.884 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.136 0.419 4.049 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.311 -0.358 1.251 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.650 1.884 5.351 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.817 1.107 2.561 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.985 2.229 4.607 1.00 0.00 H new ATOM 1273 N ILE F 31 108.429 1.024 -0.519 1.00 0.00 N ATOM 1274 CA ILE F 31 108.836 2.224 -1.262 1.00 0.00 C ATOM 1275 C ILE F 31 107.626 3.094 -1.591 1.00 0.00 C ATOM 1276 O ILE F 31 107.697 4.324 -1.492 1.00 0.00 O ATOM 1277 CB ILE F 31 109.593 1.823 -2.543 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.889 1.090 -2.149 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.958 3.073 -3.363 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.581 0.515 -3.389 1.00 0.00 C ATOM 0 H ILE F 31 108.677 0.144 -0.972 1.00 0.00 H new ATOM 0 HA ILE F 31 109.507 2.812 -0.635 1.00 0.00 H new ATOM 0 HB ILE F 31 108.955 1.175 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.561 1.778 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.661 0.287 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.492 2.773 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.048 3.605 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.593 3.727 -2.766 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.495 0.001 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE F 31 110.913 -0.190 -3.884 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.828 1.324 -4.076 1.00 0.00 H new ATOM 1292 N HIS F 32 106.513 2.450 -1.960 1.00 0.00 N ATOM 1293 CA HIS F 32 105.281 3.175 -2.278 1.00 0.00 C ATOM 1294 C HIS F 32 104.805 3.960 -1.051 1.00 0.00 C ATOM 1295 O HIS F 32 104.335 5.094 -1.172 1.00 0.00 O ATOM 1296 CB HIS F 32 104.193 2.186 -2.727 1.00 0.00 C ATOM 1297 CG HIS F 32 102.974 2.938 -3.196 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.118 3.582 -2.317 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.454 3.153 -4.450 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.138 4.147 -3.045 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.296 3.917 -4.352 1.00 0.00 N ATOM 0 H HIS F 32 106.441 1.436 -2.045 1.00 0.00 H new ATOM 0 HA HIS F 32 105.479 3.875 -3.090 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.573 1.555 -3.531 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.928 1.525 -1.902 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.880 2.785 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.323 4.717 -2.624 1.00 0.00 H new ATOM 0 HE2 HIS F 32 100.696 4.234 -5.114 1.00 0.00 H new ATOM 1310 N SER F 33 104.943 3.338 0.126 1.00 0.00 N ATOM 1311 CA SER F 33 104.539 3.970 1.383 1.00 0.00 C ATOM 1312 C SER F 33 105.435 5.172 1.720 1.00 0.00 C ATOM 1313 O SER F 33 104.934 6.204 2.175 1.00 0.00 O ATOM 1314 CB SER F 33 104.579 2.945 2.522 1.00 0.00 C ATOM 1315 OG SER F 33 103.808 1.806 2.161 1.00 0.00 O ATOM 0 H SER F 33 105.330 2.400 0.232 1.00 0.00 H new ATOM 0 HA SER F 33 103.519 4.337 1.264 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.609 2.651 2.725 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.187 3.387 3.438 1.00 0.00 H new ATOM 0 HG SER F 33 104.275 1.303 1.462 1.00 0.00 H new ATOM 1321 N LEU F 34 106.757 5.036 1.497 1.00 0.00 N ATOM 1322 CA LEU F 34 107.700 6.129 1.783 1.00 0.00 C ATOM 1323 C LEU F 34 107.332 7.368 0.960 1.00 0.00 C ATOM 1324 O LEU F 34 107.388 8.495 1.459 1.00 0.00 O ATOM 1325 CB LEU F 34 109.149 5.720 1.431 1.00 0.00 C ATOM 1326 CG LEU F 34 109.601 4.484 2.233 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.986 4.015 1.734 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.680 4.835 3.725 1.00 0.00 C ATOM 0 H LEU F 34 107.189 4.191 1.125 1.00 0.00 H new ATOM 0 HA LEU F 34 107.638 6.350 2.849 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.219 5.507 0.364 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.822 6.553 1.635 1.00 0.00 H new ATOM 0 HG LEU F 34 108.878 3.681 2.091 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.301 3.141 2.304 1.00 0.00 H new ATOM 0 HD12 LEU F 34 110.923 3.756 0.677 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.712 4.817 1.868 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.000 3.959 4.289 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.398 5.642 3.871 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.699 5.154 4.076 1.00 0.00 H new ATOM 1340 N HIS F 35 106.969 7.138 -0.305 1.00 0.00 N ATOM 1341 CA HIS F 35 106.601 8.223 -1.220 1.00 0.00 C ATOM 1342 C HIS F 35 105.197 8.760 -0.919 1.00 0.00 C ATOM 1343 O HIS F 35 105.002 9.974 -0.808 1.00 0.00 O ATOM 1344 CB HIS F 35 106.667 7.713 -2.670 1.00 0.00 C ATOM 1345 CG HIS F 35 106.465 8.853 -3.636 1.00 0.00 C ATOM 1346 ND1 HIS F 35 107.402 9.863 -3.795 1.00 0.00 N ATOM 1347 CD2 HIS F 35 105.439 9.156 -4.499 1.00 0.00 C ATOM 1348 CE1 HIS F 35 106.926 10.716 -4.720 1.00 0.00 C ATOM 1349 NE2 HIS F 35 105.732 10.332 -5.182 1.00 0.00 N ATOM 0 H HIS F 35 106.922 6.207 -0.720 1.00 0.00 H new ATOM 0 HA HIS F 35 107.307 9.042 -1.081 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.632 7.240 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.903 6.952 -2.830 1.00 0.00 H new ATOM 0 HD2 HIS F 35 104.541 8.570 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS F 35 107.446 11.604 -5.049 1.00 0.00 H new ATOM 0 HE2 HIS F 35 105.159 10.800 -5.884 1.00 0.00 H new ATOM 1358 N ASP F 36 104.224 7.848 -0.820 1.00 0.00 N ATOM 1359 CA ASP F 36 102.829 8.225 -0.564 1.00 0.00 C ATOM 1360 C ASP F 36 102.671 8.964 0.767 1.00 0.00 C ATOM 1361 O ASP F 36 101.897 9.922 0.857 1.00 0.00 O ATOM 1362 CB ASP F 36 101.943 6.974 -0.565 1.00 0.00 C ATOM 1363 CG ASP F 36 100.468 7.375 -0.516 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.918 7.670 -1.565 1.00 0.00 O ATOM 1365 OD2 ASP F 36 99.909 7.387 0.570 1.00 0.00 O ATOM 0 H ASP F 36 104.376 6.844 -0.913 1.00 0.00 H new ATOM 0 HA ASP F 36 102.520 8.902 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.137 6.382 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.186 6.346 0.292 1.00 0.00 H new ATOM 1370 N ASP F 37 103.396 8.507 1.796 1.00 0.00 N ATOM 1371 CA ASP F 37 103.327 9.123 3.129 1.00 0.00 C ATOM 1372 C ASP F 37 104.739 9.421 3.667 1.00 0.00 C ATOM 1373 O ASP F 37 105.274 8.661 4.484 1.00 0.00 O ATOM 1374 CB ASP F 37 102.581 8.188 4.099 1.00 0.00 C ATOM 1375 CG ASP F 37 101.146 7.948 3.618 1.00 0.00 C ATOM 1376 OD1 ASP F 37 100.381 8.900 3.592 1.00 0.00 O ATOM 1377 OD2 ASP F 37 100.832 6.815 3.288 1.00 0.00 O ATOM 0 H ASP F 37 104.036 7.715 1.732 1.00 0.00 H new ATOM 0 HA ASP F 37 102.785 10.065 3.047 1.00 0.00 H new ATOM 0 HB2 ASP F 37 103.109 7.237 4.175 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.568 8.626 5.097 1.00 0.00 H new ATOM 1382 N PRO F 38 105.351 10.510 3.228 1.00 0.00 N ATOM 1383 CA PRO F 38 106.723 10.903 3.686 1.00 0.00 C ATOM 1384 C PRO F 38 106.790 11.065 5.205 1.00 0.00 C ATOM 1385 O PRO F 38 107.806 10.750 5.829 1.00 0.00 O ATOM 1386 CB PRO F 38 106.992 12.241 2.977 1.00 0.00 C ATOM 1387 CG PRO F 38 106.028 12.296 1.836 1.00 0.00 C ATOM 1388 CD PRO F 38 104.808 11.480 2.258 1.00 0.00 C ATOM 0 HA PRO F 38 107.465 10.142 3.444 1.00 0.00 H new ATOM 0 HB2 PRO F 38 106.843 13.081 3.656 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.021 12.296 2.623 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.748 13.326 1.614 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.475 11.885 0.931 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.042 12.110 2.709 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.348 10.979 1.406 1.00 0.00 H new ATOM 1396 N SER F 39 105.691 11.556 5.785 1.00 0.00 N ATOM 1397 CA SER F 39 105.607 11.762 7.231 1.00 0.00 C ATOM 1398 C SER F 39 105.756 10.438 7.982 1.00 0.00 C ATOM 1399 O SER F 39 106.325 10.405 9.077 1.00 0.00 O ATOM 1400 CB SER F 39 104.264 12.411 7.589 1.00 0.00 C ATOM 1401 OG SER F 39 104.274 12.798 8.960 1.00 0.00 O ATOM 0 H SER F 39 104.848 11.818 5.274 1.00 0.00 H new ATOM 0 HA SER F 39 106.422 12.422 7.529 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.088 13.281 6.956 1.00 0.00 H new ATOM 0 HB3 SER F 39 103.449 11.711 7.403 1.00 0.00 H new ATOM 0 HG SER F 39 103.417 13.214 9.189 1.00 0.00 H new ATOM 1407 N GLN F 40 105.232 9.354 7.392 1.00 0.00 N ATOM 1408 CA GLN F 40 105.302 8.028 8.013 1.00 0.00 C ATOM 1409 C GLN F 40 106.529 7.248 7.561 1.00 0.00 C ATOM 1410 O GLN F 40 106.684 6.100 7.957 1.00 0.00 O ATOM 1411 CB GLN F 40 104.054 7.197 7.670 1.00 0.00 C ATOM 1412 CG GLN F 40 102.822 7.755 8.374 1.00 0.00 C ATOM 1413 CD GLN F 40 102.988 7.656 9.886 1.00 0.00 C ATOM 1414 OE1 GLN F 40 103.080 6.556 10.424 1.00 0.00 O ATOM 1415 NE2 GLN F 40 103.046 8.743 10.604 1.00 0.00 N ATOM 0 H GLN F 40 104.757 9.371 6.489 1.00 0.00 H new ATOM 0 HA GLN F 40 105.363 8.197 9.088 1.00 0.00 H new ATOM 0 HB2 GLN F 40 103.895 7.200 6.592 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.209 6.160 7.967 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.669 8.795 8.085 1.00 0.00 H new ATOM 0 HG3 GLN F 40 101.935 7.204 8.062 1.00 0.00 H new ATOM 0 HE21 GLN F 40 102.969 9.656 10.155 1.00 0.00 H new ATOM 0 HE22 GLN F 40 103.168 8.681 11.615 1.00 0.00 H new ATOM 1424 N SER F 41 107.396 7.843 6.732 1.00 0.00 N ATOM 1425 CA SER F 41 108.587 7.121 6.257 1.00 0.00 C ATOM 1426 C SER F 41 109.354 6.517 7.438 1.00 0.00 C ATOM 1427 O SER F 41 109.790 5.368 7.384 1.00 0.00 O ATOM 1428 CB SER F 41 109.494 8.062 5.461 1.00 0.00 C ATOM 1429 OG SER F 41 109.917 9.130 6.300 1.00 0.00 O ATOM 0 H SER F 41 107.302 8.797 6.383 1.00 0.00 H new ATOM 0 HA SER F 41 108.264 6.311 5.604 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.359 7.518 5.082 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.960 8.454 4.595 1.00 0.00 H new ATOM 0 HG SER F 41 109.257 9.853 6.267 1.00 0.00 H new ATOM 1435 N ALA F 42 109.468 7.297 8.509 1.00 0.00 N ATOM 1436 CA ALA F 42 110.141 6.851 9.731 1.00 0.00 C ATOM 1437 C ALA F 42 109.382 5.679 10.371 1.00 0.00 C ATOM 1438 O ALA F 42 109.987 4.665 10.727 1.00 0.00 O ATOM 1439 CB ALA F 42 110.234 8.011 10.727 1.00 0.00 C ATOM 0 H ALA F 42 109.101 8.248 8.558 1.00 0.00 H new ATOM 0 HA ALA F 42 111.145 6.515 9.470 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.736 7.673 11.634 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.801 8.828 10.282 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.231 8.359 10.975 1.00 0.00 H new ATOM 1445 N ASN F 43 108.054 5.824 10.503 1.00 0.00 N ATOM 1446 CA ASN F 43 107.224 4.763 11.089 1.00 0.00 C ATOM 1447 C ASN F 43 107.306 3.504 10.235 1.00 0.00 C ATOM 1448 O ASN F 43 107.459 2.392 10.748 1.00 0.00 O ATOM 1449 CB ASN F 43 105.761 5.217 11.187 1.00 0.00 C ATOM 1450 CG ASN F 43 105.627 6.320 12.234 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.360 7.474 11.897 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.795 6.031 13.494 1.00 0.00 N ATOM 0 H ASN F 43 107.538 6.656 10.215 1.00 0.00 H new ATOM 0 HA ASN F 43 107.598 4.549 12.090 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.418 5.580 10.218 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.126 4.372 11.453 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.705 6.761 14.201 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.016 5.075 13.773 1.00 0.00 H new ATOM 1459 N LEU F 44 107.228 3.707 8.920 1.00 0.00 N ATOM 1460 CA LEU F 44 107.313 2.618 7.949 1.00 0.00 C ATOM 1461 C LEU F 44 108.668 1.937 8.069 1.00 0.00 C ATOM 1462 O LEU F 44 108.771 0.722 7.919 1.00 0.00 O ATOM 1463 CB LEU F 44 107.141 3.169 6.527 1.00 0.00 C ATOM 1464 CG LEU F 44 105.720 3.734 6.341 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.714 4.727 5.171 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.743 2.587 6.046 1.00 0.00 C ATOM 0 H LEU F 44 107.105 4.628 8.500 1.00 0.00 H new ATOM 0 HA LEU F 44 106.521 1.897 8.150 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.878 3.951 6.341 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.324 2.379 5.799 1.00 0.00 H new ATOM 0 HG LEU F 44 105.411 4.245 7.253 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.709 5.127 5.039 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.405 5.543 5.383 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.024 4.217 4.259 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.738 2.989 5.915 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.050 2.073 5.135 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.746 1.883 6.878 1.00 0.00 H new ATOM 1478 N LEU F 45 109.698 2.740 8.364 1.00 0.00 N ATOM 1479 CA LEU F 45 111.053 2.221 8.535 1.00 0.00 C ATOM 1480 C LEU F 45 111.090 1.239 9.697 1.00 0.00 C ATOM 1481 O LEU F 45 111.787 0.230 9.637 1.00 0.00 O ATOM 1482 CB LEU F 45 112.043 3.375 8.804 1.00 0.00 C ATOM 1483 CG LEU F 45 113.031 3.494 7.638 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.331 4.167 6.444 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.246 4.346 8.052 1.00 0.00 C ATOM 0 H LEU F 45 109.615 3.749 8.488 1.00 0.00 H new ATOM 0 HA LEU F 45 111.346 1.710 7.618 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.499 4.311 8.929 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.583 3.194 9.733 1.00 0.00 H new ATOM 0 HG LEU F 45 113.371 2.496 7.361 1.00 0.00 H new ATOM 0 HD11 LEU F 45 113.031 4.253 5.613 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.476 3.565 6.137 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.990 5.160 6.735 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.939 4.422 7.214 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.911 5.343 8.337 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.749 3.876 8.898 1.00 0.00 H new ATOM 1497 N ALA F 46 110.327 1.546 10.748 1.00 0.00 N ATOM 1498 CA ALA F 46 110.275 0.684 11.921 1.00 0.00 C ATOM 1499 C ALA F 46 109.705 -0.682 11.551 1.00 0.00 C ATOM 1500 O ALA F 46 110.377 -1.698 11.722 1.00 0.00 O ATOM 1501 CB ALA F 46 109.413 1.337 13.012 1.00 0.00 C ATOM 0 H ALA F 46 109.742 2.380 10.807 1.00 0.00 H new ATOM 0 HA ALA F 46 111.287 0.547 12.301 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.379 0.687 13.886 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.846 2.298 13.291 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.402 1.490 12.634 1.00 0.00 H new ATOM 1507 N GLU F 47 108.472 -0.700 11.033 1.00 0.00 N ATOM 1508 CA GLU F 47 107.829 -1.959 10.643 1.00 0.00 C ATOM 1509 C GLU F 47 108.605 -2.655 9.529 1.00 0.00 C ATOM 1510 O GLU F 47 108.761 -3.877 9.550 1.00 0.00 O ATOM 1511 CB GLU F 47 106.402 -1.705 10.159 1.00 0.00 C ATOM 1512 CG GLU F 47 105.525 -1.147 11.293 1.00 0.00 C ATOM 1513 CD GLU F 47 105.471 -2.107 12.492 1.00 0.00 C ATOM 1514 OE1 GLU F 47 105.128 -3.265 12.293 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.769 -1.669 13.593 1.00 0.00 O ATOM 0 H GLU F 47 107.905 0.133 10.875 1.00 0.00 H new ATOM 0 HA GLU F 47 107.814 -2.600 11.524 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.417 -1.002 9.326 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.971 -2.633 9.784 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.917 -0.183 11.616 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.516 -0.972 10.921 1.00 0.00 H new ATOM 1522 N ALA F 48 109.106 -1.870 8.561 1.00 0.00 N ATOM 1523 CA ALA F 48 109.882 -2.427 7.443 1.00 0.00 C ATOM 1524 C ALA F 48 111.135 -3.106 7.980 1.00 0.00 C ATOM 1525 O ALA F 48 111.520 -4.185 7.523 1.00 0.00 O ATOM 1526 CB ALA F 48 110.279 -1.318 6.464 1.00 0.00 C ATOM 0 H ALA F 48 108.989 -0.857 8.530 1.00 0.00 H new ATOM 0 HA ALA F 48 109.266 -3.157 6.917 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.853 -1.746 5.642 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.381 -0.842 6.070 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.886 -0.576 6.982 1.00 0.00 H new ATOM 1532 N LYS F 49 111.732 -2.475 8.987 1.00 0.00 N ATOM 1533 CA LYS F 49 112.902 -3.026 9.630 1.00 0.00 C ATOM 1534 C LYS F 49 112.495 -4.277 10.420 1.00 0.00 C ATOM 1535 O LYS F 49 113.220 -5.273 10.426 1.00 0.00 O ATOM 1536 CB LYS F 49 113.533 -1.980 10.556 1.00 0.00 C ATOM 1537 CG LYS F 49 114.894 -2.486 11.056 1.00 0.00 C ATOM 1538 CD LYS F 49 115.040 -2.203 12.558 1.00 0.00 C ATOM 1539 CE LYS F 49 115.286 -0.708 12.797 1.00 0.00 C ATOM 1540 NZ LYS F 49 116.700 -0.375 12.462 1.00 0.00 N ATOM 0 H LYS F 49 111.419 -1.583 9.369 1.00 0.00 H new ATOM 0 HA LYS F 49 113.642 -3.303 8.879 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.658 -1.037 10.024 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.874 -1.784 11.402 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.985 -3.556 10.869 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.698 -1.997 10.506 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.139 -2.519 13.084 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.867 -2.784 12.966 1.00 0.00 H new ATOM 0 HE2 LYS F 49 114.607 -0.115 12.185 1.00 0.00 H new ATOM 0 HE3 LYS F 49 115.079 -0.457 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.899 0.608 12.735 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 117.339 -1.014 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.850 -0.487 11.439 1.00 0.00 H new ATOM 1554 N LYS F 50 111.312 -4.226 11.069 1.00 0.00 N ATOM 1555 CA LYS F 50 110.816 -5.376 11.836 1.00 0.00 C ATOM 1556 C LYS F 50 110.621 -6.574 10.921 1.00 0.00 C ATOM 1557 O LYS F 50 110.883 -7.704 11.325 1.00 0.00 O ATOM 1558 CB LYS F 50 109.490 -5.046 12.544 1.00 0.00 C ATOM 1559 CG LYS F 50 109.733 -4.107 13.732 1.00 0.00 C ATOM 1560 CD LYS F 50 108.398 -3.821 14.439 1.00 0.00 C ATOM 1561 CE LYS F 50 108.483 -2.489 15.185 1.00 0.00 C ATOM 1562 NZ LYS F 50 107.216 -2.259 15.935 1.00 0.00 N ATOM 0 H LYS F 50 110.696 -3.413 11.075 1.00 0.00 H new ATOM 0 HA LYS F 50 111.561 -5.615 12.595 1.00 0.00 H new ATOM 0 HB2 LYS F 50 108.801 -4.580 11.840 1.00 0.00 H new ATOM 0 HB3 LYS F 50 109.018 -5.965 12.890 1.00 0.00 H new ATOM 0 HG2 LYS F 50 110.437 -4.560 14.430 1.00 0.00 H new ATOM 0 HG3 LYS F 50 110.181 -3.175 13.387 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.589 -3.789 13.709 1.00 0.00 H new ATOM 0 HD3 LYS F 50 108.166 -4.625 15.137 1.00 0.00 H new ATOM 0 HE2 LYS F 50 109.329 -2.498 15.873 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.654 -1.675 14.480 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 107.354 -1.490 16.621 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.461 -1.998 15.269 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 106.948 -3.129 16.439 1.00 0.00 H new ATOM 1576 N LEU F 51 110.178 -6.324 9.681 1.00 0.00 N ATOM 1577 CA LEU F 51 109.983 -7.408 8.715 1.00 0.00 C ATOM 1578 C LEU F 51 111.295 -8.104 8.430 1.00 0.00 C ATOM 1579 O LEU F 51 111.339 -9.323 8.311 1.00 0.00 O ATOM 1580 CB LEU F 51 109.441 -6.876 7.395 1.00 0.00 C ATOM 1581 CG LEU F 51 107.971 -6.496 7.501 1.00 0.00 C ATOM 1582 CD1 LEU F 51 107.472 -6.122 6.103 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.147 -7.678 8.049 1.00 0.00 C ATOM 0 H LEU F 51 109.951 -5.394 9.329 1.00 0.00 H new ATOM 0 HA LEU F 51 109.269 -8.105 9.154 1.00 0.00 H new ATOM 0 HB2 LEU F 51 110.021 -6.005 7.088 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.566 -7.632 6.619 1.00 0.00 H new ATOM 0 HG LEU F 51 107.856 -5.655 8.185 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.419 -5.846 6.154 1.00 0.00 H new ATOM 0 HD12 LEU F 51 108.050 -5.279 5.724 1.00 0.00 H new ATOM 0 HD13 LEU F 51 107.591 -6.974 5.434 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.098 -7.389 8.118 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.245 -8.532 7.378 1.00 0.00 H new ATOM 0 HD23 LEU F 51 107.515 -7.950 9.038 1.00 0.00 H new ATOM 1595 N ASN F 52 112.364 -7.315 8.330 1.00 0.00 N ATOM 1596 CA ASN F 52 113.683 -7.876 8.074 1.00 0.00 C ATOM 1597 C ASN F 52 114.005 -8.890 9.184 1.00 0.00 C ATOM 1598 O ASN F 52 114.608 -9.934 8.931 1.00 0.00 O ATOM 1599 CB ASN F 52 114.734 -6.736 7.982 1.00 0.00 C ATOM 1600 CG ASN F 52 115.840 -6.893 9.023 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.921 -7.402 8.726 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.615 -6.483 10.231 1.00 0.00 N ATOM 0 H ASN F 52 112.341 -6.299 8.421 1.00 0.00 H new ATOM 0 HA ASN F 52 113.706 -8.400 7.118 1.00 0.00 H new ATOM 0 HB2 ASN F 52 115.173 -6.728 6.985 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.239 -5.775 8.121 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.336 -6.581 10.945 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.716 -6.063 10.468 1.00 0.00 H new ATOM 1609 N ASP F 53 113.556 -8.562 10.406 1.00 0.00 N ATOM 1610 CA ASP F 53 113.746 -9.432 11.568 1.00 0.00 C ATOM 1611 C ASP F 53 112.704 -10.563 11.569 1.00 0.00 C ATOM 1612 O ASP F 53 112.987 -11.683 12.001 1.00 0.00 O ATOM 1613 CB ASP F 53 113.629 -8.613 12.864 1.00 0.00 C ATOM 1614 CG ASP F 53 114.679 -7.492 12.889 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.861 -7.808 12.891 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.288 -6.337 12.905 1.00 0.00 O ATOM 0 H ASP F 53 113.057 -7.696 10.611 1.00 0.00 H new ATOM 0 HA ASP F 53 114.741 -9.873 11.512 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.630 -8.185 12.942 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.764 -9.265 13.727 1.00 0.00 H new ATOM 1621 N ALA F 54 111.495 -10.243 11.090 1.00 0.00 N ATOM 1622 CA ALA F 54 110.385 -11.202 11.032 1.00 0.00 C ATOM 1623 C ALA F 54 110.603 -12.260 9.944 1.00 0.00 C ATOM 1624 O ALA F 54 110.266 -13.432 10.130 1.00 0.00 O ATOM 1625 CB ALA F 54 109.074 -10.453 10.753 1.00 0.00 C ATOM 0 H ALA F 54 111.260 -9.317 10.733 1.00 0.00 H new ATOM 0 HA ALA F 54 110.335 -11.711 11.994 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.250 -11.165 10.710 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.890 -9.733 11.550 1.00 0.00 H new ATOM 0 HB3 ALA F 54 109.150 -9.928 9.801 1.00 0.00 H new ATOM 1631 N GLN F 55 111.158 -11.825 8.808 1.00 0.00 N ATOM 1632 CA GLN F 55 111.416 -12.710 7.669 1.00 0.00 C ATOM 1633 C GLN F 55 112.798 -13.345 7.781 1.00 0.00 C ATOM 1634 O GLN F 55 113.150 -14.242 7.011 1.00 0.00 O ATOM 1635 CB GLN F 55 111.328 -11.912 6.361 1.00 0.00 C ATOM 1636 CG GLN F 55 109.905 -11.359 6.190 1.00 0.00 C ATOM 1637 CD GLN F 55 109.763 -10.633 4.850 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.373 -11.026 3.853 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.980 -9.593 4.765 1.00 0.00 N ATOM 0 H GLN F 55 111.439 -10.857 8.653 1.00 0.00 H new ATOM 0 HA GLN F 55 110.665 -13.500 7.671 1.00 0.00 H new ATOM 0 HB2 GLN F 55 112.048 -11.094 6.373 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.585 -12.550 5.516 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.184 -12.174 6.246 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.675 -10.674 7.006 1.00 0.00 H new ATOM 0 HE21 GLN F 55 108.475 -9.266 5.589 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.873 -9.106 3.875 1.00 0.00 H new ATOM 1648 N ALA F 56 113.573 -12.852 8.742 1.00 0.00 N ATOM 1649 CA ALA F 56 114.921 -13.325 8.981 1.00 0.00 C ATOM 1650 C ALA F 56 114.948 -14.815 9.331 1.00 0.00 C ATOM 1651 O ALA F 56 113.909 -15.420 9.618 1.00 0.00 O ATOM 1652 CB ALA F 56 115.537 -12.513 10.126 1.00 0.00 C ATOM 0 H ALA F 56 113.277 -12.110 9.376 1.00 0.00 H new ATOM 0 HA ALA F 56 115.498 -13.193 8.066 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.553 -12.862 10.314 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.560 -11.458 9.853 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.937 -12.641 11.027 1.00 0.00 H new TER 1658 ALA F 56