USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 774 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 23 ASN : amide:sc= 0.415 X(o=-0.42,f=-0.12) USER MOD Set 1.2: F 55 GLN : amide:sc= -0.837 X(o=-0.42,f=-0.12) USER MOD Set 2.1: E 23 ASN :FLIP amide:sc= 0.0592 F(o=-2.3,f=-1.3) USER MOD Set 2.2: E 55 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : E 18 TYR OH : rot 138:sc= 0.911 USER MOD Single : E 21 ASN : amide:sc= -1.85! X(o=-1.8!,f=-2) USER MOD Single : E 26 GLN :FLIP amide:sc= -0.307 F(o=-1.7,f=-0.31) USER MOD Single : E 32 HIS : +bothHN:sc= 1.77 K(o=1.8,f=-5.4!) USER MOD Single : E 33 SER OG : rot 83:sc= 1.26 USER MOD Single : E 35 HIS : no HE2:sc= 0.847 K(o=0.85,f=-5.3!) USER MOD Single : E 39 SER OG : rot 95:sc= 0.953 USER MOD Single : E 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : E 41 SER OG : rot -90:sc= 0.867 USER MOD Single : E 43 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -113:sc= 0.627 (180deg=-0.835) USER MOD Single : E 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 52 ASN : amide:sc= -0.0482 K(o=-0.048,f=-0.8) USER MOD Single : F 18 TYR OH : rot -94:sc= 1.51 USER MOD Single : F 21 ASN : amide:sc= -0.641 K(o=-0.64,f=-1.2) USER MOD Single : F 26 GLN :FLIP amide:sc= -0.398 F(o=-1.7,f=-0.4) USER MOD Single : F 32 HIS : no HE2:sc= -0.156 K(o=-0.16,f=-3.2!) USER MOD Single : F 33 SER OG : rot 73:sc= 1.14 USER MOD Single : F 35 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.6!) USER MOD Single : F 39 SER OG : rot -90:sc= 0.251 USER MOD Single : F 40 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.028) USER MOD Single : F 41 SER OG : rot -91:sc= 1.02 USER MOD Single : F 43 ASN : amide:sc=-0.00075 X(o=-0.00075,f=0) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 147:sc= 0.955 (180deg=0.322) USER MOD Single : F 52 ASN : amide:sc= 1.06 K(o=1.1,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 123.522 -7.608 -2.917 1.00 0.00 N ATOM 24 CA LEU C 17 122.938 -6.266 -2.953 1.00 0.00 C ATOM 25 C LEU C 17 121.929 -6.159 -1.813 1.00 0.00 C ATOM 26 O LEU C 17 121.294 -7.159 -1.459 1.00 0.00 O ATOM 27 CB LEU C 17 122.237 -6.005 -4.302 1.00 0.00 C ATOM 28 CG LEU C 17 123.102 -5.089 -5.199 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.947 -5.934 -6.162 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.192 -4.145 -5.996 1.00 0.00 C ATOM 0 HA LEU C 17 123.726 -5.521 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU C 17 122.052 -6.951 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.266 -5.541 -4.129 1.00 0.00 H new ATOM 0 HG LEU C 17 123.771 -4.503 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.551 -5.277 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.601 -6.593 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.290 -6.533 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.802 -3.499 -6.628 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.517 -4.731 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.610 -3.533 -5.307 1.00 0.00 H new ATOM 42 N VAL C 18 121.786 -4.964 -1.229 1.00 0.00 N ATOM 43 CA VAL C 18 120.845 -4.787 -0.109 1.00 0.00 C ATOM 44 C VAL C 18 120.089 -3.473 -0.230 1.00 0.00 C ATOM 45 O VAL C 18 120.705 -2.426 -0.357 1.00 0.00 O ATOM 46 CB VAL C 18 121.600 -4.808 1.236 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.590 -4.982 2.381 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.624 -5.959 1.265 1.00 0.00 C ATOM 0 H VAL C 18 122.294 -4.122 -1.502 1.00 0.00 H new ATOM 0 HA VAL C 18 120.133 -5.611 -0.145 1.00 0.00 H new ATOM 0 HB VAL C 18 122.136 -3.867 1.356 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.119 -4.997 3.334 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.883 -4.152 2.372 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.050 -5.920 2.251 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.146 -5.957 2.222 1.00 0.00 H new ATOM 0 HG22 VAL C 18 122.107 -6.910 1.136 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.344 -5.825 0.458 1.00 0.00 H new ATOM 58 N PHE C 19 118.756 -3.530 -0.144 1.00 0.00 N ATOM 59 CA PHE C 19 117.931 -2.330 -0.210 1.00 0.00 C ATOM 60 C PHE C 19 117.752 -1.774 1.187 1.00 0.00 C ATOM 61 O PHE C 19 117.463 -2.512 2.131 1.00 0.00 O ATOM 62 CB PHE C 19 116.560 -2.639 -0.829 1.00 0.00 C ATOM 63 CG PHE C 19 116.503 -2.074 -2.231 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.325 -2.614 -3.227 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.630 -1.015 -2.539 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.280 -2.099 -4.524 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.591 -0.505 -3.839 1.00 0.00 C ATOM 68 CZ PHE C 19 116.415 -1.045 -4.831 1.00 0.00 C ATOM 0 H PHE C 19 118.230 -4.396 -0.029 1.00 0.00 H new ATOM 0 HA PHE C 19 118.429 -1.595 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.393 -3.716 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.767 -2.207 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE C 19 117.994 -3.429 -2.992 1.00 0.00 H new ATOM 0 HD2 PHE C 19 114.992 -0.598 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE C 19 117.915 -2.516 -5.292 1.00 0.00 H new ATOM 0 HE2 PHE C 19 114.922 0.309 -4.078 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.383 -0.648 -5.835 1.00 0.00 H new ATOM 78 N PHE C 20 117.940 -0.471 1.301 1.00 0.00 N ATOM 79 CA PHE C 20 117.818 0.212 2.587 1.00 0.00 C ATOM 80 C PHE C 20 117.268 1.623 2.412 1.00 0.00 C ATOM 81 O PHE C 20 117.398 2.222 1.340 1.00 0.00 O ATOM 82 CB PHE C 20 119.191 0.278 3.265 1.00 0.00 C ATOM 83 CG PHE C 20 120.115 1.138 2.452 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.159 2.516 2.676 1.00 0.00 C ATOM 85 CD2 PHE C 20 120.908 0.558 1.465 1.00 0.00 C ATOM 86 CE1 PHE C 20 121.002 3.315 1.911 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.747 1.353 0.698 1.00 0.00 C ATOM 88 CZ PHE C 20 121.798 2.737 0.917 1.00 0.00 C ATOM 0 H PHE C 20 118.178 0.140 0.520 1.00 0.00 H new ATOM 0 HA PHE C 20 117.122 -0.352 3.208 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.091 0.685 4.271 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.606 -0.725 3.366 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.540 2.960 3.441 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.870 -0.508 1.297 1.00 0.00 H new ATOM 0 HE1 PHE C 20 121.042 4.380 2.084 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.362 0.905 -0.069 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.451 3.356 0.319 1.00 0.00 H new ATOM 98 N ALA C 21 116.681 2.152 3.485 1.00 0.00 N ATOM 99 CA ALA C 21 116.138 3.501 3.476 1.00 0.00 C ATOM 100 C ALA C 21 116.859 4.340 4.526 1.00 0.00 C ATOM 101 O ALA C 21 117.038 3.898 5.667 1.00 0.00 O ATOM 102 CB ALA C 21 114.641 3.455 3.766 1.00 0.00 C ATOM 0 H ALA C 21 116.571 1.661 4.372 1.00 0.00 H new ATOM 0 HA ALA C 21 116.288 3.953 2.495 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.238 4.468 3.758 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.141 2.859 3.002 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.474 3.005 4.745 1.00 0.00 H new ATOM 108 N GLU C 22 117.280 5.542 4.126 1.00 0.00 N ATOM 109 CA GLU C 22 117.993 6.448 5.005 1.00 0.00 C ATOM 110 C GLU C 22 117.061 7.565 5.464 1.00 0.00 C ATOM 111 O GLU C 22 116.447 8.228 4.635 1.00 0.00 O ATOM 112 CB GLU C 22 119.178 7.030 4.220 1.00 0.00 C ATOM 113 CG GLU C 22 119.954 8.019 5.084 1.00 0.00 C ATOM 114 CD GLU C 22 121.082 8.664 4.272 1.00 0.00 C ATOM 115 OE1 GLU C 22 122.005 7.953 3.904 1.00 0.00 O ATOM 116 OE2 GLU C 22 121.005 9.859 4.025 1.00 0.00 O ATOM 0 H GLU C 22 117.133 5.906 3.185 1.00 0.00 H new ATOM 0 HA GLU C 22 118.352 5.921 5.889 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.838 6.225 3.895 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.817 7.529 3.320 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.281 8.790 5.460 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.369 7.507 5.952 1.00 0.00 H new ATOM 123 N ASP C 23 116.981 7.782 6.780 1.00 0.00 N ATOM 124 CA ASP C 23 116.142 8.840 7.328 1.00 0.00 C ATOM 125 C ASP C 23 116.846 10.169 7.112 1.00 0.00 C ATOM 126 O ASP C 23 117.962 10.376 7.593 1.00 0.00 O ATOM 127 CB ASP C 23 115.890 8.607 8.823 1.00 0.00 C ATOM 128 CG ASP C 23 114.921 9.662 9.362 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.724 9.467 9.221 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.391 10.650 9.904 1.00 0.00 O ATOM 0 H ASP C 23 117.487 7.239 7.480 1.00 0.00 H new ATOM 0 HA ASP C 23 115.176 8.844 6.824 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.479 7.610 8.980 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.832 8.653 9.370 1.00 0.00 H new ATOM 135 N VAL C 24 116.212 11.040 6.339 1.00 0.00 N ATOM 136 CA VAL C 24 116.799 12.342 6.000 1.00 0.00 C ATOM 137 C VAL C 24 115.885 13.506 6.379 1.00 0.00 C ATOM 138 O VAL C 24 116.318 14.663 6.363 1.00 0.00 O ATOM 139 CB VAL C 24 117.095 12.362 4.489 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.933 11.119 4.138 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.770 12.357 3.688 1.00 0.00 C ATOM 0 H VAL C 24 115.291 10.875 5.932 1.00 0.00 H new ATOM 0 HA VAL C 24 117.718 12.470 6.573 1.00 0.00 H new ATOM 0 HB VAL C 24 117.647 13.265 4.230 1.00 0.00 H new ATOM 0 HG11 VAL C 24 118.152 11.117 3.070 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.867 11.139 4.700 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.374 10.219 4.395 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.990 12.371 2.621 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.202 11.458 3.929 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.184 13.238 3.949 1.00 0.00 H new ATOM 183 N LYS C 28 111.346 15.078 2.976 1.00 0.00 N ATOM 184 CA LYS C 28 111.596 14.026 1.991 1.00 0.00 C ATOM 185 C LYS C 28 111.412 12.648 2.627 1.00 0.00 C ATOM 186 O LYS C 28 111.509 11.623 1.945 1.00 0.00 O ATOM 187 CB LYS C 28 113.029 14.142 1.457 1.00 0.00 C ATOM 188 CG LYS C 28 113.213 15.469 0.708 1.00 0.00 C ATOM 189 CD LYS C 28 114.457 15.398 -0.189 1.00 0.00 C ATOM 190 CE LYS C 28 115.724 15.275 0.667 1.00 0.00 C ATOM 191 NZ LYS C 28 116.924 15.491 -0.192 1.00 0.00 N ATOM 0 HA LYS C 28 110.886 14.144 1.172 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.738 14.081 2.283 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.244 13.307 0.790 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.331 15.680 0.104 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.315 16.287 1.421 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.380 14.544 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.516 16.290 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.704 16.008 1.474 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.768 14.290 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.784 15.408 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.944 14.776 -0.947 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.882 16.440 -0.615 1.00 0.00 H new ATOM 205 N GLY C 29 111.172 12.634 3.943 1.00 0.00 N ATOM 206 CA GLY C 29 111.009 11.382 4.672 1.00 0.00 C ATOM 207 C GLY C 29 112.337 10.644 4.677 1.00 0.00 C ATOM 208 O GLY C 29 113.271 11.054 5.371 1.00 0.00 O ATOM 0 H GLY C 29 111.088 13.473 4.517 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.683 11.579 5.693 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.238 10.770 4.204 1.00 0.00 H new ATOM 212 N ALA C 30 112.421 9.577 3.879 1.00 0.00 N ATOM 213 CA ALA C 30 113.651 8.796 3.762 1.00 0.00 C ATOM 214 C ALA C 30 114.071 8.683 2.295 1.00 0.00 C ATOM 215 O ALA C 30 113.285 8.977 1.389 1.00 0.00 O ATOM 216 CB ALA C 30 113.459 7.405 4.361 1.00 0.00 C ATOM 0 H ALA C 30 111.650 9.235 3.305 1.00 0.00 H new ATOM 0 HA ALA C 30 114.438 9.308 4.315 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.384 6.837 4.266 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.196 7.496 5.415 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.659 6.888 3.831 1.00 0.00 H new ATOM 222 N ILE C 31 115.320 8.257 2.078 1.00 0.00 N ATOM 223 CA ILE C 31 115.869 8.104 0.725 1.00 0.00 C ATOM 224 C ILE C 31 116.170 6.639 0.449 1.00 0.00 C ATOM 225 O ILE C 31 116.815 5.970 1.261 1.00 0.00 O ATOM 226 CB ILE C 31 117.172 8.921 0.576 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.927 10.386 0.960 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.666 8.879 -0.872 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.178 11.228 0.656 1.00 0.00 C ATOM 0 H ILE C 31 115.972 8.011 2.823 1.00 0.00 H new ATOM 0 HA ILE C 31 115.130 8.470 0.012 1.00 0.00 H new ATOM 0 HB ILE C 31 117.921 8.482 1.236 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.073 10.777 0.407 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.680 10.456 2.019 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.585 9.459 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.860 7.846 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.905 9.302 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.994 12.266 0.932 1.00 0.00 H new ATOM 0 HD12 ILE C 31 119.023 10.845 1.229 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.405 11.171 -0.408 1.00 0.00 H new ATOM 241 N ILE C 32 115.716 6.155 -0.709 1.00 0.00 N ATOM 242 CA ILE C 32 115.959 4.769 -1.091 1.00 0.00 C ATOM 243 C ILE C 32 117.374 4.623 -1.622 1.00 0.00 C ATOM 244 O ILE C 32 117.806 5.372 -2.505 1.00 0.00 O ATOM 245 CB ILE C 32 114.930 4.277 -2.156 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.782 3.524 -1.465 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.582 3.322 -3.182 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.326 2.278 -0.733 1.00 0.00 C ATOM 0 H ILE C 32 115.184 6.698 -1.389 1.00 0.00 H new ATOM 0 HA ILE C 32 115.837 4.148 -0.204 1.00 0.00 H new ATOM 0 HB ILE C 32 114.558 5.159 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.281 4.182 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE C 32 113.037 3.225 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.834 3.001 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.390 3.840 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.983 2.451 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.503 1.753 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.806 1.614 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE C 32 115.053 2.586 0.018 1.00 0.00 H new ATOM 260 N GLY C 33 118.065 3.624 -1.092 1.00 0.00 N ATOM 261 CA GLY C 33 119.416 3.318 -1.510 1.00 0.00 C ATOM 262 C GLY C 33 119.631 1.817 -1.471 1.00 0.00 C ATOM 263 O GLY C 33 118.949 1.106 -0.727 1.00 0.00 O ATOM 0 H GLY C 33 117.703 3.008 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.590 3.695 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.132 3.816 -0.856 1.00 0.00 H new ATOM 267 N LEU C 34 120.587 1.345 -2.262 1.00 0.00 N ATOM 268 CA LEU C 34 120.900 -0.077 -2.302 1.00 0.00 C ATOM 269 C LEU C 34 122.404 -0.306 -2.318 1.00 0.00 C ATOM 270 O LEU C 34 123.150 0.302 -3.089 1.00 0.00 O ATOM 271 CB LEU C 34 120.158 -0.870 -3.426 1.00 0.00 C ATOM 272 CG LEU C 34 120.212 -0.262 -4.850 1.00 0.00 C ATOM 273 CD1 LEU C 34 120.043 1.259 -4.853 1.00 0.00 C ATOM 274 CD2 LEU C 34 121.498 -0.718 -5.566 1.00 0.00 C ATOM 0 H LEU C 34 121.156 1.923 -2.881 1.00 0.00 H new ATOM 0 HA LEU C 34 120.506 -0.497 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.577 -1.875 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.112 -0.972 -3.138 1.00 0.00 H new ATOM 0 HG LEU C 34 119.358 -0.641 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU C 34 120.089 1.628 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU C 34 119.078 1.519 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.841 1.715 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU C 34 121.530 -0.287 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU C 34 122.368 -0.385 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU C 34 121.508 -1.806 -5.639 1.00 0.00 H new ATOM 286 N MET C 35 122.815 -1.183 -1.409 1.00 0.00 N ATOM 287 CA MET C 35 124.213 -1.543 -1.209 1.00 0.00 C ATOM 288 C MET C 35 124.647 -2.535 -2.264 1.00 0.00 C ATOM 289 O MET C 35 123.854 -3.368 -2.684 1.00 0.00 O ATOM 290 CB MET C 35 124.375 -2.143 0.214 1.00 0.00 C ATOM 291 CG MET C 35 125.485 -3.217 0.278 1.00 0.00 C ATOM 292 SD MET C 35 125.357 -4.142 1.828 1.00 0.00 S ATOM 293 CE MET C 35 126.250 -2.977 2.876 1.00 0.00 C ATOM 0 H MET C 35 122.176 -1.671 -0.781 1.00 0.00 H new ATOM 0 HA MET C 35 124.844 -0.659 -1.299 1.00 0.00 H new ATOM 0 HB2 MET C 35 124.606 -1.344 0.918 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.429 -2.583 0.530 1.00 0.00 H new ATOM 0 HG2 MET C 35 125.395 -3.896 -0.570 1.00 0.00 H new ATOM 0 HG3 MET C 35 126.465 -2.745 0.206 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.289 -3.361 3.896 1.00 0.00 H new ATOM 0 HE2 MET C 35 127.264 -2.850 2.497 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.737 -2.015 2.870 1.00 0.00 H new ATOM 303 N VAL C 36 125.918 -2.441 -2.655 1.00 0.00 N ATOM 304 CA VAL C 36 126.500 -3.351 -3.645 1.00 0.00 C ATOM 305 C VAL C 36 127.786 -3.951 -3.070 1.00 0.00 C ATOM 306 O VAL C 36 128.733 -3.217 -2.767 1.00 0.00 O ATOM 307 CB VAL C 36 126.821 -2.594 -4.950 1.00 0.00 C ATOM 308 CG1 VAL C 36 127.194 -3.590 -6.056 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.611 -1.755 -5.399 1.00 0.00 C ATOM 0 H VAL C 36 126.568 -1.740 -2.300 1.00 0.00 H new ATOM 0 HA VAL C 36 125.785 -4.142 -3.870 1.00 0.00 H new ATOM 0 HB VAL C 36 127.663 -1.927 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.419 -3.047 -6.974 1.00 0.00 H new ATOM 0 HG12 VAL C 36 128.069 -4.163 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.359 -4.268 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.856 -1.228 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.757 -2.411 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.362 -1.031 -4.623 1.00 0.00 H new ATOM 319 N GLY C 37 127.813 -5.282 -2.913 1.00 0.00 N ATOM 320 CA GLY C 37 128.987 -5.960 -2.363 1.00 0.00 C ATOM 321 C GLY C 37 129.297 -5.460 -0.963 1.00 0.00 C ATOM 322 O GLY C 37 130.267 -4.726 -0.760 1.00 0.00 O ATOM 0 H GLY C 37 127.041 -5.902 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.812 -7.036 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.846 -5.791 -3.012 1.00 0.00 H new ATOM 367 N GLY E 14 131.751 -1.506 0.578 1.00 0.00 N ATOM 368 CA GLY E 14 130.878 -1.805 -0.558 1.00 0.00 C ATOM 369 C GLY E 14 130.364 -0.527 -1.216 1.00 0.00 C ATOM 370 O GLY E 14 130.177 0.491 -0.545 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.423 -2.400 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.034 -2.408 -0.222 1.00 0.00 H new ATOM 374 N GLU E 15 130.108 -0.601 -2.528 1.00 0.00 N ATOM 375 CA GLU E 15 129.578 0.546 -3.267 1.00 0.00 C ATOM 376 C GLU E 15 128.107 0.711 -2.910 1.00 0.00 C ATOM 377 O GLU E 15 127.341 -0.247 -2.995 1.00 0.00 O ATOM 378 CB GLU E 15 129.739 0.319 -4.784 1.00 0.00 C ATOM 379 CG GLU E 15 129.141 1.501 -5.574 1.00 0.00 C ATOM 380 CD GLU E 15 129.239 1.247 -7.084 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.352 1.176 -7.583 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.200 1.133 -7.719 1.00 0.00 O ATOM 0 H GLU E 15 130.258 -1.436 -3.094 1.00 0.00 H new ATOM 0 HA GLU E 15 130.127 1.449 -2.999 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.795 0.206 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.243 -0.608 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.098 1.644 -5.291 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.669 2.420 -5.319 1.00 0.00 H new ATOM 389 N ILE E 16 127.725 1.921 -2.497 1.00 0.00 N ATOM 390 CA ILE E 16 126.340 2.185 -2.111 1.00 0.00 C ATOM 391 C ILE E 16 125.682 3.153 -3.096 1.00 0.00 C ATOM 392 O ILE E 16 126.223 4.214 -3.415 1.00 0.00 O ATOM 393 CB ILE E 16 126.289 2.713 -0.666 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.041 1.713 0.250 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.826 2.834 -0.218 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.790 2.018 1.731 1.00 0.00 C ATOM 0 H ILE E 16 128.348 2.725 -2.422 1.00 0.00 H new ATOM 0 HA ILE E 16 125.773 1.255 -2.147 1.00 0.00 H new ATOM 0 HB ILE E 16 126.759 3.695 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE E 16 126.717 0.697 0.026 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.110 1.760 0.043 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.789 3.208 0.805 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.300 3.525 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.349 1.855 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE E 16 127.331 1.300 2.347 1.00 0.00 H new ATOM 0 HD12 ILE E 16 127.138 3.026 1.959 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.723 1.946 1.942 1.00 0.00 H new ATOM 408 N VAL E 17 124.523 2.721 -3.594 1.00 0.00 N ATOM 409 CA VAL E 17 123.735 3.455 -4.592 1.00 0.00 C ATOM 410 C VAL E 17 122.481 4.086 -3.979 1.00 0.00 C ATOM 411 O VAL E 17 121.878 3.522 -3.073 1.00 0.00 O ATOM 412 CB VAL E 17 123.335 2.443 -5.692 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.252 3.003 -6.640 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.577 2.074 -6.512 1.00 0.00 C ATOM 0 H VAL E 17 124.096 1.838 -3.313 1.00 0.00 H new ATOM 0 HA VAL E 17 124.330 4.273 -4.999 1.00 0.00 H new ATOM 0 HB VAL E 17 122.920 1.565 -5.197 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.006 2.255 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.358 3.248 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.627 3.902 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.301 1.361 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL E 17 124.989 2.972 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.325 1.627 -5.858 1.00 0.00 H new ATOM 424 N TYR E 18 122.090 5.248 -4.520 1.00 0.00 N ATOM 425 CA TYR E 18 120.880 5.960 -4.084 1.00 0.00 C ATOM 426 C TYR E 18 120.021 6.269 -5.313 1.00 0.00 C ATOM 427 O TYR E 18 120.510 6.881 -6.265 1.00 0.00 O ATOM 428 CB TYR E 18 121.256 7.256 -3.351 1.00 0.00 C ATOM 429 CG TYR E 18 121.680 6.923 -1.946 1.00 0.00 C ATOM 430 CD1 TYR E 18 122.950 6.403 -1.697 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.794 7.146 -0.892 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.331 6.102 -0.389 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.170 6.853 0.414 1.00 0.00 C ATOM 434 CZ TYR E 18 122.443 6.327 0.673 1.00 0.00 C ATOM 435 OH TYR E 18 122.824 6.039 1.968 1.00 0.00 O ATOM 0 H TYR E 18 122.600 5.719 -5.268 1.00 0.00 H new ATOM 0 HA TYR E 18 120.316 5.335 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.064 7.764 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.407 7.939 -3.335 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.636 6.234 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR E 18 119.812 7.548 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.312 5.695 -0.194 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.482 7.030 1.228 1.00 0.00 H new ATOM 0 HH TYR E 18 122.518 6.753 2.565 1.00 0.00 H new ATOM 445 N LEU E 19 118.748 5.825 -5.294 1.00 0.00 N ATOM 446 CA LEU E 19 117.838 6.044 -6.433 1.00 0.00 C ATOM 447 C LEU E 19 116.548 6.794 -6.022 1.00 0.00 C ATOM 448 O LEU E 19 115.441 6.357 -6.357 1.00 0.00 O ATOM 449 CB LEU E 19 117.455 4.684 -7.055 1.00 0.00 C ATOM 450 CG LEU E 19 118.687 3.980 -7.652 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.337 2.522 -7.994 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.158 4.707 -8.921 1.00 0.00 C ATOM 0 H LEU E 19 118.332 5.319 -4.512 1.00 0.00 H new ATOM 0 HA LEU E 19 118.367 6.665 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.002 4.048 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.706 4.834 -7.833 1.00 0.00 H new ATOM 0 HG LEU E 19 119.491 4.000 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.212 2.027 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.027 2.000 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.524 2.504 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.030 4.197 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.357 4.706 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.422 5.735 -8.674 1.00 0.00 H new ATOM 464 N PRO E 20 116.653 7.926 -5.349 1.00 0.00 N ATOM 465 CA PRO E 20 115.450 8.729 -4.956 1.00 0.00 C ATOM 466 C PRO E 20 114.810 9.390 -6.171 1.00 0.00 C ATOM 467 O PRO E 20 113.648 9.804 -6.130 1.00 0.00 O ATOM 468 CB PRO E 20 115.999 9.785 -4.000 1.00 0.00 C ATOM 469 CG PRO E 20 117.445 9.926 -4.355 1.00 0.00 C ATOM 470 CD PRO E 20 117.901 8.566 -4.888 1.00 0.00 C ATOM 0 HA PRO E 20 114.674 8.112 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO E 20 115.472 10.732 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO E 20 115.877 9.477 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO E 20 117.585 10.703 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO E 20 118.031 10.216 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO E 20 118.617 8.676 -5.702 1.00 0.00 H new ATOM 0 HD3 PRO E 20 118.389 7.976 -4.112 1.00 0.00 H new ATOM 478 N ASN E 21 115.597 9.493 -7.243 1.00 0.00 N ATOM 479 CA ASN E 21 115.143 10.115 -8.481 1.00 0.00 C ATOM 480 C ASN E 21 114.277 9.157 -9.294 1.00 0.00 C ATOM 481 O ASN E 21 113.710 9.558 -10.310 1.00 0.00 O ATOM 482 CB ASN E 21 116.360 10.530 -9.322 1.00 0.00 C ATOM 483 CG ASN E 21 117.239 11.529 -8.562 1.00 0.00 C ATOM 484 OD1 ASN E 21 116.798 12.150 -7.593 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.466 11.731 -8.957 1.00 0.00 N ATOM 0 H ASN E 21 116.557 9.150 -7.275 1.00 0.00 H new ATOM 0 HA ASN E 21 114.545 10.989 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN E 21 116.946 9.648 -9.580 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.024 10.975 -10.259 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.057 12.401 -8.464 1.00 0.00 H new ATOM 0 HD22 ASN E 21 118.835 11.219 -9.758 1.00 0.00 H new ATOM 492 N LEU E 22 114.183 7.893 -8.850 1.00 0.00 N ATOM 493 CA LEU E 22 113.386 6.896 -9.561 1.00 0.00 C ATOM 494 C LEU E 22 111.996 6.787 -8.955 1.00 0.00 C ATOM 495 O LEU E 22 111.837 6.736 -7.732 1.00 0.00 O ATOM 496 CB LEU E 22 114.093 5.533 -9.528 1.00 0.00 C ATOM 497 CG LEU E 22 115.103 5.426 -10.689 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.105 6.592 -10.650 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.852 4.087 -10.590 1.00 0.00 C ATOM 0 H LEU E 22 114.646 7.546 -8.010 1.00 0.00 H new ATOM 0 HA LEU E 22 113.281 7.213 -10.599 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.608 5.406 -8.576 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.357 4.732 -9.602 1.00 0.00 H new ATOM 0 HG LEU E 22 114.561 5.475 -11.633 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.808 6.496 -11.478 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.568 7.536 -10.738 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.651 6.571 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.567 4.008 -11.409 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.383 4.036 -9.639 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.138 3.265 -10.651 1.00 0.00 H new ATOM 511 N ASN E 23 110.997 6.745 -9.832 1.00 0.00 N ATOM 512 CA ASN E 23 109.602 6.635 -9.404 1.00 0.00 C ATOM 513 C ASN E 23 109.368 5.267 -8.750 1.00 0.00 C ATOM 514 O ASN E 23 110.139 4.335 -8.993 1.00 0.00 O ATOM 515 CB ASN E 23 108.671 6.803 -10.615 1.00 0.00 C ATOM 516 CG ASN E 23 108.898 8.164 -11.272 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.428 8.227 -12.463 1.00 0.00 O flip ATOM 518 ND2 ASN E 23 108.586 9.199 -10.682 1.00 0.00 N flip ATOM 0 H ASN E 23 111.125 6.785 -10.843 1.00 0.00 H new ATOM 0 HA ASN E 23 109.386 7.419 -8.678 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.855 6.008 -11.337 1.00 0.00 H new ATOM 0 HB3 ASN E 23 107.632 6.713 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN E 23 108.172 9.150 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN E 23 108.742 10.105 -11.124 1.00 0.00 H new ATOM 525 N PRO E 24 108.333 5.116 -7.934 1.00 0.00 N ATOM 526 CA PRO E 24 108.033 3.807 -7.263 1.00 0.00 C ATOM 527 C PRO E 24 107.947 2.669 -8.280 1.00 0.00 C ATOM 528 O PRO E 24 108.379 1.545 -8.009 1.00 0.00 O ATOM 529 CB PRO E 24 106.680 4.041 -6.574 1.00 0.00 C ATOM 530 CG PRO E 24 106.567 5.521 -6.408 1.00 0.00 C ATOM 531 CD PRO E 24 107.348 6.153 -7.561 1.00 0.00 C ATOM 0 HA PRO E 24 108.813 3.511 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO E 24 105.860 3.650 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.638 3.534 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.523 5.834 -6.430 1.00 0.00 H new ATOM 0 HG3 PRO E 24 106.974 5.835 -5.447 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.694 6.402 -8.397 1.00 0.00 H new ATOM 0 HD3 PRO E 24 107.838 7.077 -7.253 1.00 0.00 H new ATOM 539 N ASP E 25 107.415 2.991 -9.461 1.00 0.00 N ATOM 540 CA ASP E 25 107.303 2.019 -10.544 1.00 0.00 C ATOM 541 C ASP E 25 108.696 1.612 -11.010 1.00 0.00 C ATOM 542 O ASP E 25 109.007 0.425 -11.134 1.00 0.00 O ATOM 543 CB ASP E 25 106.547 2.645 -11.718 1.00 0.00 C ATOM 544 CG ASP E 25 106.279 1.591 -12.794 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.301 0.872 -12.661 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.056 1.515 -13.733 1.00 0.00 O ATOM 0 H ASP E 25 107.056 3.918 -9.689 1.00 0.00 H new ATOM 0 HA ASP E 25 106.764 1.142 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.605 3.068 -11.370 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.128 3.466 -12.139 1.00 0.00 H new ATOM 551 N GLN E 26 109.528 2.624 -11.264 1.00 0.00 N ATOM 552 CA GLN E 26 110.893 2.408 -11.718 1.00 0.00 C ATOM 553 C GLN E 26 111.699 1.640 -10.669 1.00 0.00 C ATOM 554 O GLN E 26 112.459 0.728 -11.012 1.00 0.00 O ATOM 555 CB GLN E 26 111.549 3.766 -11.998 1.00 0.00 C ATOM 556 CG GLN E 26 110.831 4.471 -13.161 1.00 0.00 C ATOM 557 CD GLN E 26 111.011 3.682 -14.455 1.00 0.00 C ATOM 558 OE1 GLN E 26 112.209 3.349 -14.838 1.00 0.00 O flip ATOM 559 NE2 GLN E 26 110.035 3.361 -15.134 1.00 0.00 N flip ATOM 0 H GLN E 26 109.273 3.606 -11.160 1.00 0.00 H new ATOM 0 HA GLN E 26 110.875 1.813 -12.631 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.509 4.389 -11.105 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.602 3.626 -12.242 1.00 0.00 H new ATOM 0 HG2 GLN E 26 109.770 4.572 -12.934 1.00 0.00 H new ATOM 0 HG3 GLN E 26 111.228 5.479 -13.284 1.00 0.00 H new ATOM 0 HE21 GLN E 26 109.096 3.622 -14.833 1.00 0.00 H new ATOM 0 HE22 GLN E 26 110.166 2.834 -15.997 1.00 0.00 H new ATOM 568 N LEU E 27 111.526 2.007 -9.389 1.00 0.00 N ATOM 569 CA LEU E 27 112.245 1.325 -8.313 1.00 0.00 C ATOM 570 C LEU E 27 111.794 -0.128 -8.225 1.00 0.00 C ATOM 571 O LEU E 27 112.628 -1.027 -8.213 1.00 0.00 O ATOM 572 CB LEU E 27 112.025 2.028 -6.961 1.00 0.00 C ATOM 573 CG LEU E 27 112.877 3.314 -6.886 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.465 4.161 -5.672 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.370 2.954 -6.762 1.00 0.00 C ATOM 0 H LEU E 27 110.907 2.757 -9.083 1.00 0.00 H new ATOM 0 HA LEU E 27 113.310 1.360 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU E 27 110.970 2.274 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.293 1.357 -6.145 1.00 0.00 H new ATOM 0 HG LEU E 27 112.711 3.886 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.075 5.063 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.414 4.437 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU E 27 112.613 3.584 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.962 3.868 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.529 2.367 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.677 2.372 -7.631 1.00 0.00 H new ATOM 587 N CYS E 28 110.473 -0.350 -8.190 1.00 0.00 N ATOM 588 CA CYS E 28 109.929 -1.712 -8.124 1.00 0.00 C ATOM 589 C CYS E 28 110.378 -2.527 -9.338 1.00 0.00 C ATOM 590 O CYS E 28 110.690 -3.715 -9.222 1.00 0.00 O ATOM 591 CB CYS E 28 108.399 -1.669 -8.081 1.00 0.00 C ATOM 592 SG CYS E 28 107.859 -0.990 -6.492 1.00 0.00 S ATOM 0 H CYS E 28 109.769 0.387 -8.206 1.00 0.00 H new ATOM 0 HA CYS E 28 110.304 -2.185 -7.217 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.019 -1.057 -8.898 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.992 -2.671 -8.218 1.00 0.00 H new ATOM 597 N ALA E 29 110.416 -1.867 -10.497 1.00 0.00 N ATOM 598 CA ALA E 29 110.837 -2.516 -11.739 1.00 0.00 C ATOM 599 C ALA E 29 112.292 -2.972 -11.635 1.00 0.00 C ATOM 600 O ALA E 29 112.672 -4.006 -12.191 1.00 0.00 O ATOM 601 CB ALA E 29 110.698 -1.531 -12.910 1.00 0.00 C ATOM 0 H ALA E 29 110.161 -0.885 -10.601 1.00 0.00 H new ATOM 0 HA ALA E 29 110.202 -3.386 -11.910 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.012 -2.017 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.658 -1.218 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.325 -0.658 -12.728 1.00 0.00 H new ATOM 607 N PHE E 30 113.093 -2.182 -10.917 1.00 0.00 N ATOM 608 CA PHE E 30 114.507 -2.469 -10.720 1.00 0.00 C ATOM 609 C PHE E 30 114.699 -3.502 -9.613 1.00 0.00 C ATOM 610 O PHE E 30 115.486 -4.446 -9.741 1.00 0.00 O ATOM 611 CB PHE E 30 115.215 -1.155 -10.361 1.00 0.00 C ATOM 612 CG PHE E 30 116.653 -1.420 -9.986 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.542 -1.917 -10.943 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.092 -1.176 -8.678 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.867 -2.168 -10.593 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.420 -1.428 -8.334 1.00 0.00 C ATOM 617 CZ PHE E 30 119.304 -1.923 -9.291 1.00 0.00 C ATOM 0 H PHE E 30 112.776 -1.328 -10.458 1.00 0.00 H new ATOM 0 HA PHE E 30 114.932 -2.886 -11.633 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.173 -0.469 -11.207 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.699 -0.671 -9.532 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.203 -2.106 -11.951 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.404 -0.794 -7.938 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.556 -2.553 -11.330 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.763 -1.240 -7.327 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.332 -2.118 -9.023 1.00 0.00 H new ATOM 627 N ILE E 31 113.989 -3.275 -8.518 1.00 0.00 N ATOM 628 CA ILE E 31 114.065 -4.126 -7.341 1.00 0.00 C ATOM 629 C ILE E 31 113.700 -5.577 -7.669 1.00 0.00 C ATOM 630 O ILE E 31 114.294 -6.507 -7.115 1.00 0.00 O ATOM 631 CB ILE E 31 113.159 -3.509 -6.242 1.00 0.00 C ATOM 632 CG1 ILE E 31 113.949 -3.386 -4.950 1.00 0.00 C ATOM 633 CG2 ILE E 31 111.894 -4.328 -5.978 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.225 -2.426 -4.002 1.00 0.00 C ATOM 0 H ILE E 31 113.342 -2.493 -8.421 1.00 0.00 H new ATOM 0 HA ILE E 31 115.090 -4.167 -6.971 1.00 0.00 H new ATOM 0 HB ILE E 31 112.841 -2.531 -6.603 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.057 -4.365 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.954 -3.020 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE E 31 111.303 -3.844 -5.200 1.00 0.00 H new ATOM 0 HG22 ILE E 31 111.305 -4.393 -6.893 1.00 0.00 H new ATOM 0 HG23 ILE E 31 112.171 -5.331 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.790 -2.336 -3.074 1.00 0.00 H new ATOM 0 HD12 ILE E 31 113.140 -1.446 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.229 -2.812 -3.784 1.00 0.00 H new ATOM 646 N HIS E 32 112.746 -5.763 -8.581 1.00 0.00 N ATOM 647 CA HIS E 32 112.338 -7.108 -8.985 1.00 0.00 C ATOM 648 C HIS E 32 113.400 -7.717 -9.897 1.00 0.00 C ATOM 649 O HIS E 32 113.641 -8.924 -9.862 1.00 0.00 O ATOM 650 CB HIS E 32 110.984 -7.066 -9.711 1.00 0.00 C ATOM 651 CG HIS E 32 109.866 -7.055 -8.701 1.00 0.00 C ATOM 652 ND1 HIS E 32 109.215 -5.892 -8.326 1.00 0.00 N ATOM 653 CD2 HIS E 32 109.274 -8.065 -7.981 1.00 0.00 C ATOM 654 CE1 HIS E 32 108.277 -6.226 -7.418 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.271 -7.540 -7.173 1.00 0.00 N ATOM 0 H HIS E 32 112.246 -5.008 -9.050 1.00 0.00 H new ATOM 0 HA HIS E 32 112.233 -7.725 -8.092 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.926 -6.179 -10.342 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.885 -7.931 -10.367 1.00 0.00 H new ATOM 0 HD1 HIS E 32 109.410 -4.953 -8.674 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.546 -9.109 -8.035 1.00 0.00 H new ATOM 0 HE1 HIS E 32 107.611 -5.518 -6.946 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.662 -8.048 -6.532 1.00 0.00 H new ATOM 664 N SER E 33 114.020 -6.863 -10.715 1.00 0.00 N ATOM 665 CA SER E 33 115.052 -7.305 -11.649 1.00 0.00 C ATOM 666 C SER E 33 116.277 -7.861 -10.915 1.00 0.00 C ATOM 667 O SER E 33 116.802 -8.911 -11.297 1.00 0.00 O ATOM 668 CB SER E 33 115.461 -6.137 -12.550 1.00 0.00 C ATOM 669 OG SER E 33 114.373 -5.800 -13.403 1.00 0.00 O ATOM 0 H SER E 33 113.824 -5.863 -10.748 1.00 0.00 H new ATOM 0 HA SER E 33 114.640 -8.111 -12.256 1.00 0.00 H new ATOM 0 HB2 SER E 33 115.743 -5.276 -11.944 1.00 0.00 H new ATOM 0 HB3 SER E 33 116.334 -6.409 -13.144 1.00 0.00 H new ATOM 0 HG SER E 33 113.751 -5.213 -12.924 1.00 0.00 H new ATOM 675 N LEU E 34 116.721 -7.166 -9.855 1.00 0.00 N ATOM 676 CA LEU E 34 117.882 -7.626 -9.076 1.00 0.00 C ATOM 677 C LEU E 34 117.611 -9.010 -8.486 1.00 0.00 C ATOM 678 O LEU E 34 118.497 -9.868 -8.447 1.00 0.00 O ATOM 679 CB LEU E 34 118.181 -6.657 -7.918 1.00 0.00 C ATOM 680 CG LEU E 34 118.749 -5.322 -8.434 1.00 0.00 C ATOM 681 CD1 LEU E 34 118.910 -4.350 -7.249 1.00 0.00 C ATOM 682 CD2 LEU E 34 120.118 -5.560 -9.094 1.00 0.00 C ATOM 0 H LEU E 34 116.302 -6.298 -9.522 1.00 0.00 H new ATOM 0 HA LEU E 34 118.737 -7.667 -9.751 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.268 -6.471 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU E 34 118.893 -7.116 -7.232 1.00 0.00 H new ATOM 0 HG LEU E 34 118.067 -4.896 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU E 34 119.312 -3.402 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU E 34 117.939 -4.179 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.593 -4.780 -6.516 1.00 0.00 H new ATOM 0 HD21 LEU E 34 120.516 -4.613 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU E 34 120.805 -5.986 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU E 34 120.004 -6.250 -9.930 1.00 0.00 H new ATOM 694 N HIS E 35 116.377 -9.199 -8.023 1.00 0.00 N ATOM 695 CA HIS E 35 115.953 -10.458 -7.416 1.00 0.00 C ATOM 696 C HIS E 35 115.663 -11.532 -8.473 1.00 0.00 C ATOM 697 O HIS E 35 115.767 -12.727 -8.184 1.00 0.00 O ATOM 698 CB HIS E 35 114.708 -10.197 -6.558 1.00 0.00 C ATOM 699 CG HIS E 35 115.124 -9.530 -5.272 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.227 -8.153 -5.152 1.00 0.00 N ATOM 701 CD2 HIS E 35 115.473 -10.039 -4.045 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.623 -7.883 -3.895 1.00 0.00 C ATOM 703 NE2 HIS E 35 115.788 -8.998 -3.178 1.00 0.00 N ATOM 0 H HIS E 35 115.647 -8.488 -8.058 1.00 0.00 H new ATOM 0 HA HIS E 35 116.764 -10.837 -6.794 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.005 -9.564 -7.099 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.195 -11.135 -6.346 1.00 0.00 H new ATOM 0 HD1 HIS E 35 115.037 -7.469 -5.884 1.00 0.00 H new ATOM 0 HD2 HIS E 35 115.499 -11.089 -3.792 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.787 -6.887 -3.512 1.00 0.00 H new ATOM 712 N ASP E 36 115.297 -11.102 -9.687 1.00 0.00 N ATOM 713 CA ASP E 36 114.991 -12.041 -10.773 1.00 0.00 C ATOM 714 C ASP E 36 116.209 -12.906 -11.108 1.00 0.00 C ATOM 715 O ASP E 36 116.081 -14.116 -11.315 1.00 0.00 O ATOM 716 CB ASP E 36 114.546 -11.271 -12.024 1.00 0.00 C ATOM 717 CG ASP E 36 114.069 -12.247 -13.103 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.915 -12.644 -13.048 1.00 0.00 O ATOM 719 OD2 ASP E 36 114.864 -12.584 -13.967 1.00 0.00 O ATOM 0 H ASP E 36 115.206 -10.118 -9.941 1.00 0.00 H new ATOM 0 HA ASP E 36 114.183 -12.693 -10.440 1.00 0.00 H new ATOM 0 HB2 ASP E 36 113.743 -10.580 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP E 36 115.373 -10.672 -12.405 1.00 0.00 H new ATOM 724 N ASP E 37 117.388 -12.274 -11.153 1.00 0.00 N ATOM 725 CA ASP E 37 118.635 -12.984 -11.458 1.00 0.00 C ATOM 726 C ASP E 37 119.849 -12.138 -11.029 1.00 0.00 C ATOM 727 O ASP E 37 120.292 -11.255 -11.774 1.00 0.00 O ATOM 728 CB ASP E 37 118.709 -13.303 -12.964 1.00 0.00 C ATOM 729 CG ASP E 37 119.678 -14.465 -13.224 1.00 0.00 C ATOM 730 OD1 ASP E 37 120.790 -14.421 -12.717 1.00 0.00 O ATOM 731 OD2 ASP E 37 119.294 -15.380 -13.932 1.00 0.00 O ATOM 0 H ASP E 37 117.504 -11.275 -10.983 1.00 0.00 H new ATOM 0 HA ASP E 37 118.651 -13.921 -10.901 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.717 -13.560 -13.336 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.036 -12.420 -13.513 1.00 0.00 H new ATOM 736 N PRO E 38 120.384 -12.380 -9.844 1.00 0.00 N ATOM 737 CA PRO E 38 121.561 -11.618 -9.310 1.00 0.00 C ATOM 738 C PRO E 38 122.798 -11.693 -10.217 1.00 0.00 C ATOM 739 O PRO E 38 123.721 -10.888 -10.069 1.00 0.00 O ATOM 740 CB PRO E 38 121.844 -12.258 -7.942 1.00 0.00 C ATOM 741 CG PRO E 38 120.601 -12.999 -7.573 1.00 0.00 C ATOM 742 CD PRO E 38 119.926 -13.400 -8.882 1.00 0.00 C ATOM 0 HA PRO E 38 121.336 -10.553 -9.248 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.699 -12.932 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO E 38 122.082 -11.499 -7.197 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.838 -13.878 -6.974 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.941 -12.373 -6.973 1.00 0.00 H new ATOM 0 HD2 PRO E 38 120.220 -14.403 -9.192 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.840 -13.401 -8.788 1.00 0.00 H new ATOM 750 N SER E 39 122.820 -12.657 -11.147 1.00 0.00 N ATOM 751 CA SER E 39 123.960 -12.809 -12.062 1.00 0.00 C ATOM 752 C SER E 39 124.165 -11.530 -12.882 1.00 0.00 C ATOM 753 O SER E 39 125.301 -11.131 -13.155 1.00 0.00 O ATOM 754 CB SER E 39 123.735 -13.993 -13.010 1.00 0.00 C ATOM 755 OG SER E 39 123.372 -15.143 -12.256 1.00 0.00 O ATOM 0 H SER E 39 122.071 -13.336 -11.285 1.00 0.00 H new ATOM 0 HA SER E 39 124.851 -12.996 -11.463 1.00 0.00 H new ATOM 0 HB2 SER E 39 122.951 -13.754 -13.728 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.641 -14.192 -13.582 1.00 0.00 H new ATOM 0 HG SER E 39 122.395 -15.216 -12.221 1.00 0.00 H new ATOM 761 N GLN E 40 123.048 -10.900 -13.260 1.00 0.00 N ATOM 762 CA GLN E 40 123.072 -9.658 -14.046 1.00 0.00 C ATOM 763 C GLN E 40 122.934 -8.430 -13.144 1.00 0.00 C ATOM 764 O GLN E 40 122.670 -7.334 -13.631 1.00 0.00 O ATOM 765 CB GLN E 40 121.911 -9.660 -15.054 1.00 0.00 C ATOM 766 CG GLN E 40 122.106 -10.772 -16.086 1.00 0.00 C ATOM 767 CD GLN E 40 121.001 -10.714 -17.139 1.00 0.00 C ATOM 768 OE1 GLN E 40 121.053 -9.890 -18.051 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.998 -11.545 -17.067 1.00 0.00 N ATOM 0 H GLN E 40 122.110 -11.231 -13.034 1.00 0.00 H new ATOM 0 HA GLN E 40 124.029 -9.610 -14.566 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.966 -9.802 -14.530 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.855 -8.694 -15.556 1.00 0.00 H new ATOM 0 HG2 GLN E 40 123.080 -10.668 -16.564 1.00 0.00 H new ATOM 0 HG3 GLN E 40 122.096 -11.743 -15.591 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.955 -12.228 -16.311 1.00 0.00 H new ATOM 0 HE22 GLN E 40 119.257 -11.512 -17.767 1.00 0.00 H new ATOM 778 N SER E 41 123.086 -8.615 -11.827 1.00 0.00 N ATOM 779 CA SER E 41 122.935 -7.510 -10.862 1.00 0.00 C ATOM 780 C SER E 41 123.752 -6.265 -11.235 1.00 0.00 C ATOM 781 O SER E 41 123.261 -5.149 -11.093 1.00 0.00 O ATOM 782 CB SER E 41 123.347 -7.985 -9.469 1.00 0.00 C ATOM 783 OG SER E 41 124.709 -8.397 -9.487 1.00 0.00 O ATOM 0 H SER E 41 123.313 -9.514 -11.403 1.00 0.00 H new ATOM 0 HA SER E 41 121.884 -7.221 -10.878 1.00 0.00 H new ATOM 0 HB2 SER E 41 123.209 -7.182 -8.745 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.711 -8.812 -9.153 1.00 0.00 H new ATOM 0 HG SER E 41 124.759 -9.352 -9.703 1.00 0.00 H new ATOM 789 N ALA E 42 124.984 -6.463 -11.714 1.00 0.00 N ATOM 790 CA ALA E 42 125.835 -5.332 -12.096 1.00 0.00 C ATOM 791 C ALA E 42 125.287 -4.622 -13.334 1.00 0.00 C ATOM 792 O ALA E 42 125.165 -3.393 -13.344 1.00 0.00 O ATOM 793 CB ALA E 42 127.262 -5.813 -12.363 1.00 0.00 C ATOM 0 H ALA E 42 125.409 -7.381 -11.845 1.00 0.00 H new ATOM 0 HA ALA E 42 125.842 -4.622 -11.269 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.885 -4.965 -12.646 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.665 -6.275 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.254 -6.543 -13.172 1.00 0.00 H new ATOM 799 N ASN E 43 124.948 -5.401 -14.369 1.00 0.00 N ATOM 800 CA ASN E 43 124.402 -4.827 -15.601 1.00 0.00 C ATOM 801 C ASN E 43 123.068 -4.151 -15.320 1.00 0.00 C ATOM 802 O ASN E 43 122.818 -3.039 -15.786 1.00 0.00 O ATOM 803 CB ASN E 43 124.206 -5.916 -16.663 1.00 0.00 C ATOM 804 CG ASN E 43 125.546 -6.292 -17.283 1.00 0.00 C ATOM 805 OD1 ASN E 43 125.993 -7.434 -17.167 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.216 -5.391 -17.944 1.00 0.00 N ATOM 0 H ASN E 43 125.041 -6.417 -14.377 1.00 0.00 H new ATOM 0 HA ASN E 43 125.111 -4.089 -15.975 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.746 -6.795 -16.212 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.525 -5.561 -17.437 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.113 -5.631 -18.367 1.00 0.00 H new ATOM 0 HD22 ASN E 43 125.844 -4.446 -18.039 1.00 0.00 H new ATOM 813 N LEU E 44 122.226 -4.838 -14.549 1.00 0.00 N ATOM 814 CA LEU E 44 120.912 -4.320 -14.187 1.00 0.00 C ATOM 815 C LEU E 44 121.051 -3.014 -13.414 1.00 0.00 C ATOM 816 O LEU E 44 120.290 -2.070 -13.647 1.00 0.00 O ATOM 817 CB LEU E 44 120.160 -5.354 -13.337 1.00 0.00 C ATOM 818 CG LEU E 44 119.828 -6.594 -14.189 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.413 -7.755 -13.274 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.680 -6.266 -15.158 1.00 0.00 C ATOM 0 H LEU E 44 122.434 -5.759 -14.163 1.00 0.00 H new ATOM 0 HA LEU E 44 120.348 -4.127 -15.099 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.768 -5.644 -12.480 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.242 -4.916 -12.944 1.00 0.00 H new ATOM 0 HG LEU E 44 120.710 -6.882 -14.760 1.00 0.00 H new ATOM 0 HD11 LEU E 44 119.179 -8.630 -13.880 1.00 0.00 H new ATOM 0 HD12 LEU E 44 120.231 -7.993 -12.594 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.534 -7.467 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.448 -7.146 -15.759 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.797 -5.972 -14.590 1.00 0.00 H new ATOM 0 HD23 LEU E 44 118.979 -5.448 -15.813 1.00 0.00 H new ATOM 832 N LEU E 45 122.030 -2.957 -12.499 1.00 0.00 N ATOM 833 CA LEU E 45 122.251 -1.743 -11.711 1.00 0.00 C ATOM 834 C LEU E 45 122.632 -0.589 -12.628 1.00 0.00 C ATOM 835 O LEU E 45 122.184 0.534 -12.432 1.00 0.00 O ATOM 836 CB LEU E 45 123.367 -1.953 -10.671 1.00 0.00 C ATOM 837 CG LEU E 45 122.997 -1.304 -9.319 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.239 -1.294 -8.422 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.470 0.141 -9.519 1.00 0.00 C ATOM 0 H LEU E 45 122.669 -3.724 -12.291 1.00 0.00 H new ATOM 0 HA LEU E 45 121.324 -1.509 -11.188 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.541 -3.020 -10.530 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.298 -1.524 -11.041 1.00 0.00 H new ATOM 0 HG LEU E 45 122.202 -1.884 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.992 -0.838 -7.463 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.579 -2.317 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU E 45 125.031 -0.720 -8.903 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.217 0.573 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.240 0.746 -9.997 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.582 0.120 -10.150 1.00 0.00 H new ATOM 851 N ALA E 46 123.453 -0.884 -13.640 1.00 0.00 N ATOM 852 CA ALA E 46 123.888 0.137 -14.596 1.00 0.00 C ATOM 853 C ALA E 46 122.679 0.836 -15.210 1.00 0.00 C ATOM 854 O ALA E 46 122.702 2.045 -15.450 1.00 0.00 O ATOM 855 CB ALA E 46 124.726 -0.513 -15.705 1.00 0.00 C ATOM 0 H ALA E 46 123.828 -1.816 -13.818 1.00 0.00 H new ATOM 0 HA ALA E 46 124.493 0.875 -14.070 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.047 0.251 -16.413 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.601 -0.992 -15.266 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.126 -1.260 -16.224 1.00 0.00 H new ATOM 861 N GLU E 47 121.623 0.059 -15.441 1.00 0.00 N ATOM 862 CA GLU E 47 120.389 0.590 -16.013 1.00 0.00 C ATOM 863 C GLU E 47 119.737 1.550 -15.047 1.00 0.00 C ATOM 864 O GLU E 47 119.227 2.600 -15.445 1.00 0.00 O ATOM 865 CB GLU E 47 119.398 -0.544 -16.277 1.00 0.00 C ATOM 866 CG GLU E 47 120.128 -1.711 -16.917 1.00 0.00 C ATOM 867 CD GLU E 47 119.133 -2.687 -17.551 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.386 -3.307 -16.810 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.131 -2.800 -18.767 1.00 0.00 O ATOM 0 H GLU E 47 121.598 -0.941 -15.241 1.00 0.00 H new ATOM 0 HA GLU E 47 120.643 1.098 -16.943 1.00 0.00 H new ATOM 0 HB2 GLU E 47 118.932 -0.860 -15.343 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.598 -0.198 -16.931 1.00 0.00 H new ATOM 0 HG2 GLU E 47 120.818 -1.343 -17.676 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.726 -2.229 -16.167 1.00 0.00 H new ATOM 876 N ALA E 48 119.744 1.169 -13.771 1.00 0.00 N ATOM 877 CA ALA E 48 119.135 1.984 -12.752 1.00 0.00 C ATOM 878 C ALA E 48 120.008 3.194 -12.462 1.00 0.00 C ATOM 879 O ALA E 48 119.499 4.274 -12.162 1.00 0.00 O ATOM 880 CB ALA E 48 118.880 1.177 -11.485 1.00 0.00 C ATOM 0 H ALA E 48 120.165 0.304 -13.431 1.00 0.00 H new ATOM 0 HA ALA E 48 118.169 2.333 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.420 1.817 -10.732 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.213 0.345 -11.711 1.00 0.00 H new ATOM 0 HB3 ALA E 48 119.825 0.790 -11.104 1.00 0.00 H new ATOM 886 N LYS E 49 121.329 3.011 -12.581 1.00 0.00 N ATOM 887 CA LYS E 49 122.259 4.110 -12.363 1.00 0.00 C ATOM 888 C LYS E 49 122.047 5.125 -13.476 1.00 0.00 C ATOM 889 O LYS E 49 122.000 6.332 -13.241 1.00 0.00 O ATOM 890 CB LYS E 49 123.720 3.617 -12.353 1.00 0.00 C ATOM 891 CG LYS E 49 124.424 4.055 -11.050 1.00 0.00 C ATOM 892 CD LYS E 49 124.169 3.022 -9.952 1.00 0.00 C ATOM 893 CE LYS E 49 125.202 1.890 -10.030 1.00 0.00 C ATOM 894 NZ LYS E 49 126.565 2.427 -9.738 1.00 0.00 N ATOM 0 H LYS E 49 121.767 2.122 -12.824 1.00 0.00 H new ATOM 0 HA LYS E 49 122.071 4.563 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.745 2.531 -12.441 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.253 4.019 -13.215 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.495 4.160 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.055 5.031 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.219 3.502 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.164 2.613 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.950 1.106 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.184 1.437 -11.021 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 127.151 2.373 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 126.489 3.418 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 127.005 1.864 -8.982 1.00 0.00 H new ATOM 908 N LYS E 50 121.863 4.602 -14.695 1.00 0.00 N ATOM 909 CA LYS E 50 121.585 5.442 -15.850 1.00 0.00 C ATOM 910 C LYS E 50 120.243 6.140 -15.626 1.00 0.00 C ATOM 911 O LYS E 50 120.085 7.311 -15.965 1.00 0.00 O ATOM 912 CB LYS E 50 121.556 4.588 -17.123 1.00 0.00 C ATOM 913 CG LYS E 50 122.994 4.190 -17.512 1.00 0.00 C ATOM 914 CD LYS E 50 122.987 2.951 -18.427 1.00 0.00 C ATOM 915 CE LYS E 50 122.121 3.207 -19.664 1.00 0.00 C ATOM 916 NZ LYS E 50 122.477 2.232 -20.734 1.00 0.00 N ATOM 0 H LYS E 50 121.903 3.603 -14.899 1.00 0.00 H new ATOM 0 HA LYS E 50 122.366 6.193 -15.972 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.952 3.695 -16.960 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.089 5.145 -17.936 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.482 5.021 -18.021 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.575 3.981 -16.613 1.00 0.00 H new ATOM 0 HD2 LYS E 50 124.005 2.710 -18.732 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.605 2.089 -17.880 1.00 0.00 H new ATOM 0 HE2 LYS E 50 121.066 3.112 -19.408 1.00 0.00 H new ATOM 0 HE3 LYS E 50 122.272 4.226 -20.021 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 121.888 2.407 -21.573 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 123.480 2.343 -20.985 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 122.312 1.264 -20.391 1.00 0.00 H new ATOM 930 N LEU E 51 119.304 5.414 -14.997 1.00 0.00 N ATOM 931 CA LEU E 51 117.990 5.973 -14.662 1.00 0.00 C ATOM 932 C LEU E 51 118.172 7.076 -13.628 1.00 0.00 C ATOM 933 O LEU E 51 117.478 8.094 -13.669 1.00 0.00 O ATOM 934 CB LEU E 51 117.074 4.885 -14.071 1.00 0.00 C ATOM 935 CG LEU E 51 116.062 4.317 -15.093 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.757 5.129 -15.042 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.619 4.318 -16.533 1.00 0.00 C ATOM 0 H LEU E 51 119.432 4.443 -14.713 1.00 0.00 H new ATOM 0 HA LEU E 51 117.533 6.368 -15.569 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.689 4.071 -13.688 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.529 5.300 -13.223 1.00 0.00 H new ATOM 0 HG LEU E 51 115.869 3.280 -14.817 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.048 4.724 -15.764 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.330 5.069 -14.041 1.00 0.00 H new ATOM 0 HD13 LEU E 51 114.967 6.171 -15.285 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.871 3.910 -17.213 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.860 5.339 -16.829 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.520 3.706 -16.575 1.00 0.00 H new ATOM 949 N ASN E 52 119.122 6.857 -12.704 1.00 0.00 N ATOM 950 CA ASN E 52 119.418 7.833 -11.656 1.00 0.00 C ATOM 951 C ASN E 52 119.740 9.175 -12.316 1.00 0.00 C ATOM 952 O ASN E 52 119.294 10.233 -11.860 1.00 0.00 O ATOM 953 CB ASN E 52 120.609 7.347 -10.796 1.00 0.00 C ATOM 954 CG ASN E 52 120.698 8.170 -9.510 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.749 8.209 -8.726 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.788 8.834 -9.245 1.00 0.00 N ATOM 0 H ASN E 52 119.694 6.013 -12.666 1.00 0.00 H new ATOM 0 HA ASN E 52 118.556 7.949 -10.999 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.486 6.291 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.537 7.439 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.854 9.385 -8.389 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.575 8.803 -9.893 1.00 0.00 H new ATOM 963 N ASP E 53 120.481 9.093 -13.426 1.00 0.00 N ATOM 964 CA ASP E 53 120.845 10.265 -14.216 1.00 0.00 C ATOM 965 C ASP E 53 119.683 10.673 -15.137 1.00 0.00 C ATOM 966 O ASP E 53 119.480 11.856 -15.416 1.00 0.00 O ATOM 967 CB ASP E 53 122.087 9.951 -15.062 1.00 0.00 C ATOM 968 CG ASP E 53 122.560 11.209 -15.793 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.277 11.991 -15.186 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.198 11.375 -16.948 1.00 0.00 O ATOM 0 H ASP E 53 120.842 8.214 -13.798 1.00 0.00 H new ATOM 0 HA ASP E 53 121.063 11.091 -13.539 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.884 9.571 -14.423 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.856 9.167 -15.784 1.00 0.00 H new ATOM 975 N ALA E 54 118.947 9.664 -15.622 1.00 0.00 N ATOM 976 CA ALA E 54 117.817 9.881 -16.536 1.00 0.00 C ATOM 977 C ALA E 54 116.670 10.639 -15.867 1.00 0.00 C ATOM 978 O ALA E 54 115.918 11.347 -16.544 1.00 0.00 O ATOM 979 CB ALA E 54 117.289 8.528 -17.047 1.00 0.00 C ATOM 0 H ALA E 54 119.115 8.684 -15.395 1.00 0.00 H new ATOM 0 HA ALA E 54 118.186 10.485 -17.365 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.451 8.696 -17.724 1.00 0.00 H new ATOM 0 HB2 ALA E 54 118.084 8.004 -17.577 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.957 7.924 -16.202 1.00 0.00 H new ATOM 985 N GLN E 55 116.530 10.468 -14.549 1.00 0.00 N ATOM 986 CA GLN E 55 115.454 11.122 -13.792 1.00 0.00 C ATOM 987 C GLN E 55 116.023 12.079 -12.749 1.00 0.00 C ATOM 988 O GLN E 55 115.291 12.616 -11.912 1.00 0.00 O ATOM 989 CB GLN E 55 114.567 10.059 -13.129 1.00 0.00 C ATOM 990 CG GLN E 55 114.025 9.118 -14.219 1.00 0.00 C ATOM 991 CD GLN E 55 112.867 8.250 -13.709 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.351 7.420 -14.456 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.413 8.391 -12.492 1.00 0.00 N ATOM 0 H GLN E 55 117.146 9.884 -13.984 1.00 0.00 H new ATOM 0 HA GLN E 55 114.848 11.709 -14.482 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.140 9.494 -12.393 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.743 10.533 -12.596 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.687 9.708 -15.071 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.830 8.475 -14.575 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.835 9.077 -11.866 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.636 7.815 -12.168 1.00 0.00 H new ATOM 1002 N ALA E 56 117.337 12.279 -12.820 1.00 0.00 N ATOM 1003 CA ALA E 56 118.051 13.148 -11.912 1.00 0.00 C ATOM 1004 C ALA E 56 117.479 14.567 -11.916 1.00 0.00 C ATOM 1005 O ALA E 56 116.779 14.971 -12.850 1.00 0.00 O ATOM 1006 CB ALA E 56 119.532 13.174 -12.306 1.00 0.00 C ATOM 0 H ALA E 56 117.933 11.835 -13.518 1.00 0.00 H new ATOM 0 HA ALA E 56 117.939 12.757 -10.901 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.078 13.828 -11.626 1.00 0.00 H new ATOM 0 HB2 ALA E 56 119.942 12.166 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.631 13.547 -13.325 1.00 0.00 H new ATOM 1013 N GLY F 14 120.240 10.756 9.255 1.00 0.00 N ATOM 1014 CA GLY F 14 119.306 10.191 10.234 1.00 0.00 C ATOM 1015 C GLY F 14 119.516 8.694 10.396 1.00 0.00 C ATOM 1016 O GLY F 14 120.564 8.153 10.029 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.440 10.686 11.196 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.281 10.385 9.916 1.00 0.00 H new ATOM 1020 N GLU F 15 118.499 8.034 10.946 1.00 0.00 N ATOM 1021 CA GLU F 15 118.547 6.600 11.158 1.00 0.00 C ATOM 1022 C GLU F 15 118.500 5.882 9.823 1.00 0.00 C ATOM 1023 O GLU F 15 117.818 6.323 8.895 1.00 0.00 O ATOM 1024 CB GLU F 15 117.355 6.149 11.998 1.00 0.00 C ATOM 1025 CG GLU F 15 117.601 4.732 12.514 1.00 0.00 C ATOM 1026 CD GLU F 15 116.400 4.249 13.331 1.00 0.00 C ATOM 1027 OE1 GLU F 15 116.168 4.808 14.392 1.00 0.00 O ATOM 1028 OE2 GLU F 15 115.731 3.329 12.887 1.00 0.00 O ATOM 0 H GLU F 15 117.632 8.476 11.252 1.00 0.00 H new ATOM 0 HA GLU F 15 119.473 6.359 11.680 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.208 6.832 12.835 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.444 6.176 11.400 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.774 4.057 11.676 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.500 4.713 13.130 1.00 0.00 H new ATOM 1035 N ILE F 16 119.217 4.773 9.744 1.00 0.00 N ATOM 1036 CA ILE F 16 119.261 3.973 8.530 1.00 0.00 C ATOM 1037 C ILE F 16 118.665 2.589 8.789 1.00 0.00 C ATOM 1038 O ILE F 16 118.803 2.035 9.883 1.00 0.00 O ATOM 1039 CB ILE F 16 120.704 3.852 8.050 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.256 5.243 7.682 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.757 2.930 6.825 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.742 5.141 7.307 1.00 0.00 C ATOM 0 H ILE F 16 119.780 4.404 10.511 1.00 0.00 H new ATOM 0 HA ILE F 16 118.670 4.461 7.755 1.00 0.00 H new ATOM 0 HB ILE F 16 121.315 3.431 8.848 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.690 5.658 6.848 1.00 0.00 H new ATOM 0 HG13 ILE F 16 121.131 5.926 8.522 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.787 2.842 6.480 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.379 1.944 7.095 1.00 0.00 H new ATOM 0 HG23 ILE F 16 120.142 3.348 6.028 1.00 0.00 H new ATOM 0 HD11 ILE F 16 123.121 6.130 7.049 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.305 4.746 8.153 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.857 4.474 6.452 1.00 0.00 H new ATOM 1054 N VAL F 17 117.985 2.061 7.770 1.00 0.00 N ATOM 1055 CA VAL F 17 117.330 0.757 7.860 1.00 0.00 C ATOM 1056 C VAL F 17 117.676 -0.112 6.648 1.00 0.00 C ATOM 1057 O VAL F 17 117.281 0.210 5.529 1.00 0.00 O ATOM 1058 CB VAL F 17 115.811 1.014 7.925 1.00 0.00 C ATOM 1059 CG1 VAL F 17 115.007 -0.243 7.542 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.430 1.455 9.346 1.00 0.00 C ATOM 0 H VAL F 17 117.874 2.521 6.867 1.00 0.00 H new ATOM 0 HA VAL F 17 117.670 0.221 8.746 1.00 0.00 H new ATOM 0 HB VAL F 17 115.568 1.799 7.209 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.941 -0.024 7.599 1.00 0.00 H new ATOM 0 HG12 VAL F 17 115.262 -0.542 6.525 1.00 0.00 H new ATOM 0 HG13 VAL F 17 115.249 -1.053 8.230 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.356 1.637 9.395 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.697 0.671 10.054 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.965 2.370 9.599 1.00 0.00 H new ATOM 1070 N TYR F 18 118.386 -1.228 6.889 1.00 0.00 N ATOM 1071 CA TYR F 18 118.761 -2.161 5.816 1.00 0.00 C ATOM 1072 C TYR F 18 117.796 -3.336 5.795 1.00 0.00 C ATOM 1073 O TYR F 18 117.449 -3.883 6.845 1.00 0.00 O ATOM 1074 CB TYR F 18 120.211 -2.652 6.002 1.00 0.00 C ATOM 1075 CG TYR F 18 121.141 -1.736 5.230 1.00 0.00 C ATOM 1076 CD1 TYR F 18 121.118 -0.360 5.474 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.001 -2.252 4.247 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.942 0.496 4.747 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.831 -1.390 3.525 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.800 -0.018 3.774 1.00 0.00 C ATOM 1081 OH TYR F 18 123.616 0.829 3.056 1.00 0.00 O ATOM 0 H TYR F 18 118.710 -1.504 7.816 1.00 0.00 H new ATOM 0 HA TYR F 18 118.703 -1.639 4.861 1.00 0.00 H new ATOM 0 HB2 TYR F 18 120.476 -2.654 7.059 1.00 0.00 H new ATOM 0 HB3 TYR F 18 120.311 -3.677 5.646 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.459 0.041 6.229 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.021 -3.314 4.049 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.917 1.559 4.937 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.497 -1.787 2.773 1.00 0.00 H new ATOM 0 HH TYR F 18 123.175 1.074 2.216 1.00 0.00 H new ATOM 1091 N LEU F 19 117.336 -3.682 4.587 1.00 0.00 N ATOM 1092 CA LEU F 19 116.357 -4.770 4.417 1.00 0.00 C ATOM 1093 C LEU F 19 116.874 -5.872 3.468 1.00 0.00 C ATOM 1094 O LEU F 19 116.574 -5.857 2.270 1.00 0.00 O ATOM 1095 CB LEU F 19 115.040 -4.177 3.877 1.00 0.00 C ATOM 1096 CG LEU F 19 114.548 -3.026 4.790 1.00 0.00 C ATOM 1097 CD1 LEU F 19 114.261 -1.778 3.946 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.271 -3.448 5.533 1.00 0.00 C ATOM 0 H LEU F 19 117.621 -3.231 3.718 1.00 0.00 H new ATOM 0 HA LEU F 19 116.191 -5.237 5.388 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.190 -3.806 2.863 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.279 -4.956 3.822 1.00 0.00 H new ATOM 0 HG LEU F 19 115.326 -2.800 5.519 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.915 -0.972 4.594 1.00 0.00 H new ATOM 0 HD12 LEU F 19 115.172 -1.467 3.435 1.00 0.00 H new ATOM 0 HD13 LEU F 19 113.491 -2.006 3.209 1.00 0.00 H new ATOM 0 HD21 LEU F 19 112.935 -2.631 6.171 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.492 -3.688 4.810 1.00 0.00 H new ATOM 0 HD23 LEU F 19 113.480 -4.325 6.146 1.00 0.00 H new ATOM 1110 N PRO F 20 117.632 -6.830 3.982 1.00 0.00 N ATOM 1111 CA PRO F 20 118.179 -7.959 3.171 1.00 0.00 C ATOM 1112 C PRO F 20 117.198 -9.139 3.063 1.00 0.00 C ATOM 1113 O PRO F 20 116.818 -9.540 1.960 1.00 0.00 O ATOM 1114 CB PRO F 20 119.441 -8.354 3.942 1.00 0.00 C ATOM 1115 CG PRO F 20 119.153 -8.028 5.375 1.00 0.00 C ATOM 1116 CD PRO F 20 118.062 -6.944 5.391 1.00 0.00 C ATOM 0 HA PRO F 20 118.369 -7.674 2.136 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.661 -9.414 3.817 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.310 -7.803 3.581 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.819 -8.916 5.911 1.00 0.00 H new ATOM 0 HG3 PRO F 20 120.054 -7.673 5.876 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.231 -7.227 6.038 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.449 -5.997 5.766 1.00 0.00 H new ATOM 1124 N ASN F 21 116.811 -9.690 4.220 1.00 0.00 N ATOM 1125 CA ASN F 21 115.888 -10.834 4.276 1.00 0.00 C ATOM 1126 C ASN F 21 114.538 -10.511 3.631 1.00 0.00 C ATOM 1127 O ASN F 21 113.853 -11.411 3.137 1.00 0.00 O ATOM 1128 CB ASN F 21 115.667 -11.254 5.737 1.00 0.00 C ATOM 1129 CG ASN F 21 116.965 -11.776 6.361 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.888 -12.188 5.655 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.088 -11.783 7.657 1.00 0.00 N ATOM 0 H ASN F 21 117.123 -9.362 5.134 1.00 0.00 H new ATOM 0 HA ASN F 21 116.343 -11.650 3.715 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.299 -10.404 6.312 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.900 -12.027 5.785 1.00 0.00 H new ATOM 0 HD21 ASN F 21 117.946 -12.129 8.086 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.326 -11.443 8.243 1.00 0.00 H new ATOM 1138 N LEU F 22 114.159 -9.229 3.655 1.00 0.00 N ATOM 1139 CA LEU F 22 112.881 -8.775 3.088 1.00 0.00 C ATOM 1140 C LEU F 22 112.740 -9.201 1.619 1.00 0.00 C ATOM 1141 O LEU F 22 113.738 -9.299 0.897 1.00 0.00 O ATOM 1142 CB LEU F 22 112.803 -7.244 3.191 1.00 0.00 C ATOM 1143 CG LEU F 22 111.356 -6.781 3.470 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.217 -6.346 4.944 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.012 -5.601 2.543 1.00 0.00 C ATOM 0 H LEU F 22 114.721 -8.482 4.063 1.00 0.00 H new ATOM 0 HA LEU F 22 112.068 -9.234 3.651 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.460 -6.896 3.988 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.160 -6.795 2.264 1.00 0.00 H new ATOM 0 HG LEU F 22 110.669 -7.606 3.280 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.194 -6.021 5.132 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.457 -7.186 5.596 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.902 -5.523 5.147 1.00 0.00 H new ATOM 0 HD21 LEU F 22 109.991 -5.271 2.737 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.701 -4.778 2.731 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.100 -5.917 1.504 1.00 0.00 H new ATOM 1157 N ASN F 23 111.496 -9.444 1.188 1.00 0.00 N ATOM 1158 CA ASN F 23 111.226 -9.852 -0.191 1.00 0.00 C ATOM 1159 C ASN F 23 111.085 -8.613 -1.077 1.00 0.00 C ATOM 1160 O ASN F 23 110.720 -7.542 -0.587 1.00 0.00 O ATOM 1161 CB ASN F 23 109.935 -10.684 -0.241 1.00 0.00 C ATOM 1162 CG ASN F 23 110.179 -12.067 0.360 1.00 0.00 C ATOM 1163 OD1 ASN F 23 110.711 -12.952 -0.310 1.00 0.00 O ATOM 1164 ND2 ASN F 23 109.821 -12.310 1.592 1.00 0.00 N ATOM 0 H ASN F 23 110.665 -9.365 1.774 1.00 0.00 H new ATOM 0 HA ASN F 23 112.054 -10.458 -0.557 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.143 -10.175 0.308 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.596 -10.782 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN F 23 109.982 -13.232 1.998 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.380 -11.578 2.149 1.00 0.00 H new ATOM 1171 N PRO F 24 111.365 -8.719 -2.364 1.00 0.00 N ATOM 1172 CA PRO F 24 111.253 -7.554 -3.291 1.00 0.00 C ATOM 1173 C PRO F 24 109.823 -7.029 -3.343 1.00 0.00 C ATOM 1174 O PRO F 24 109.599 -5.821 -3.460 1.00 0.00 O ATOM 1175 CB PRO F 24 111.707 -8.098 -4.652 1.00 0.00 C ATOM 1176 CG PRO F 24 111.584 -9.583 -4.549 1.00 0.00 C ATOM 1177 CD PRO F 24 111.805 -9.934 -3.076 1.00 0.00 C ATOM 0 HA PRO F 24 111.860 -6.708 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO F 24 111.085 -7.708 -5.458 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.734 -7.803 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.602 -9.915 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.321 -10.078 -5.181 1.00 0.00 H new ATOM 0 HD2 PRO F 24 111.223 -10.806 -2.779 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.851 -10.164 -2.870 1.00 0.00 H new ATOM 1185 N ASP F 25 108.862 -7.948 -3.222 1.00 0.00 N ATOM 1186 CA ASP F 25 107.448 -7.581 -3.214 1.00 0.00 C ATOM 1187 C ASP F 25 107.190 -6.678 -2.016 1.00 0.00 C ATOM 1188 O ASP F 25 106.508 -5.653 -2.118 1.00 0.00 O ATOM 1189 CB ASP F 25 106.585 -8.842 -3.090 1.00 0.00 C ATOM 1190 CG ASP F 25 106.785 -9.765 -4.304 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.729 -9.274 -5.424 1.00 0.00 O ATOM 1192 OD2 ASP F 25 106.978 -10.952 -4.095 1.00 0.00 O ATOM 0 H ASP F 25 109.039 -8.948 -3.129 1.00 0.00 H new ATOM 0 HA ASP F 25 107.195 -7.065 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.843 -9.376 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.535 -8.562 -3.010 1.00 0.00 H new ATOM 1197 N GLN F 26 107.783 -7.072 -0.888 1.00 0.00 N ATOM 1198 CA GLN F 26 107.672 -6.314 0.344 1.00 0.00 C ATOM 1199 C GLN F 26 108.367 -4.960 0.180 1.00 0.00 C ATOM 1200 O GLN F 26 107.877 -3.942 0.678 1.00 0.00 O ATOM 1201 CB GLN F 26 108.289 -7.110 1.501 1.00 0.00 C ATOM 1202 CG GLN F 26 107.429 -8.343 1.818 1.00 0.00 C ATOM 1203 CD GLN F 26 106.039 -7.927 2.299 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.912 -6.964 3.170 1.00 0.00 O flip ATOM 1205 NE2 GLN F 26 105.039 -8.502 1.871 1.00 0.00 N flip ATOM 0 H GLN F 26 108.347 -7.918 -0.810 1.00 0.00 H new ATOM 0 HA GLN F 26 106.621 -6.137 0.572 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.300 -7.421 1.239 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.369 -6.477 2.385 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.339 -8.967 0.929 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.918 -8.946 2.583 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.136 -9.255 1.190 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.113 -8.226 2.197 1.00 0.00 H new ATOM 1214 N LEU F 27 109.500 -4.954 -0.541 1.00 0.00 N ATOM 1215 CA LEU F 27 110.238 -3.711 -0.784 1.00 0.00 C ATOM 1216 C LEU F 27 109.413 -2.761 -1.649 1.00 0.00 C ATOM 1217 O LEU F 27 109.398 -1.558 -1.405 1.00 0.00 O ATOM 1218 CB LEU F 27 111.581 -3.973 -1.489 1.00 0.00 C ATOM 1219 CG LEU F 27 112.619 -4.568 -0.521 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.849 -5.045 -1.310 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.063 -3.497 0.490 1.00 0.00 C ATOM 0 H LEU F 27 109.918 -5.785 -0.959 1.00 0.00 H new ATOM 0 HA LEU F 27 110.432 -3.262 0.190 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.427 -4.656 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.963 -3.041 -1.905 1.00 0.00 H new ATOM 0 HG LEU F 27 112.168 -5.409 0.007 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.582 -5.466 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.547 -5.807 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.291 -4.201 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.798 -3.924 1.173 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.508 -2.656 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.199 -3.151 1.057 1.00 0.00 H new ATOM 1233 N CYS F 28 108.730 -3.306 -2.665 1.00 0.00 N ATOM 1234 CA CYS F 28 107.908 -2.480 -3.561 1.00 0.00 C ATOM 1235 C CYS F 28 106.816 -1.762 -2.771 1.00 0.00 C ATOM 1236 O CYS F 28 106.631 -0.550 -2.912 1.00 0.00 O ATOM 1237 CB CYS F 28 107.281 -3.344 -4.660 1.00 0.00 C ATOM 1238 SG CYS F 28 106.435 -2.279 -5.858 1.00 0.00 S ATOM 0 H CYS F 28 108.729 -4.302 -2.886 1.00 0.00 H new ATOM 0 HA CYS F 28 108.551 -1.734 -4.027 1.00 0.00 H new ATOM 0 HB2 CYS F 28 108.052 -3.931 -5.160 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.575 -4.051 -4.223 1.00 0.00 H new ATOM 1243 N ALA F 29 106.120 -2.521 -1.919 1.00 0.00 N ATOM 1244 CA ALA F 29 105.068 -1.956 -1.078 1.00 0.00 C ATOM 1245 C ALA F 29 105.679 -0.938 -0.115 1.00 0.00 C ATOM 1246 O ALA F 29 105.095 0.118 0.146 1.00 0.00 O ATOM 1247 CB ALA F 29 104.380 -3.073 -0.284 1.00 0.00 C ATOM 0 H ALA F 29 106.267 -3.523 -1.796 1.00 0.00 H new ATOM 0 HA ALA F 29 104.329 -1.461 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.596 -2.645 0.341 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.941 -3.793 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.113 -3.576 0.346 1.00 0.00 H new ATOM 1253 N PHE F 30 106.868 -1.272 0.396 1.00 0.00 N ATOM 1254 CA PHE F 30 107.582 -0.400 1.322 1.00 0.00 C ATOM 1255 C PHE F 30 107.927 0.932 0.650 1.00 0.00 C ATOM 1256 O PHE F 30 107.598 1.995 1.178 1.00 0.00 O ATOM 1257 CB PHE F 30 108.859 -1.115 1.807 1.00 0.00 C ATOM 1258 CG PHE F 30 109.755 -0.168 2.583 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.278 0.469 3.737 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.068 0.075 2.142 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.107 1.343 4.446 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.892 0.949 2.853 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.412 1.583 4.004 1.00 0.00 C ATOM 0 H PHE F 30 107.354 -2.143 0.181 1.00 0.00 H new ATOM 0 HA PHE F 30 106.945 -0.183 2.179 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.588 -1.962 2.437 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.403 -1.515 0.951 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.270 0.284 4.078 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.439 -0.414 1.254 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.740 1.833 5.335 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.900 1.136 2.514 1.00 0.00 H new ATOM 0 HZ PHE F 30 112.051 2.259 4.553 1.00 0.00 H new ATOM 1273 N ILE F 31 108.582 0.867 -0.519 1.00 0.00 N ATOM 1274 CA ILE F 31 108.964 2.082 -1.254 1.00 0.00 C ATOM 1275 C ILE F 31 107.734 2.924 -1.586 1.00 0.00 C ATOM 1276 O ILE F 31 107.780 4.156 -1.506 1.00 0.00 O ATOM 1277 CB ILE F 31 109.738 1.728 -2.539 1.00 0.00 C ATOM 1278 CG1 ILE F 31 111.066 1.050 -2.154 1.00 0.00 C ATOM 1279 CG2 ILE F 31 110.028 3.011 -3.342 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.835 0.618 -3.408 1.00 0.00 C ATOM 0 H ILE F 31 108.856 -0.005 -0.972 1.00 0.00 H new ATOM 0 HA ILE F 31 109.620 2.670 -0.612 1.00 0.00 H new ATOM 0 HB ILE F 31 109.142 1.051 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.675 1.737 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.868 0.182 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.575 2.756 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.088 3.494 -3.609 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.626 3.692 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.770 0.141 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.232 -0.087 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE F 31 112.050 1.492 -4.022 1.00 0.00 H new ATOM 1292 N HIS F 32 106.630 2.251 -1.937 1.00 0.00 N ATOM 1293 CA HIS F 32 105.377 2.943 -2.255 1.00 0.00 C ATOM 1294 C HIS F 32 104.899 3.730 -1.029 1.00 0.00 C ATOM 1295 O HIS F 32 104.432 4.865 -1.149 1.00 0.00 O ATOM 1296 CB HIS F 32 104.306 1.924 -2.678 1.00 0.00 C ATOM 1297 CG HIS F 32 103.174 2.619 -3.393 1.00 0.00 C ATOM 1298 ND1 HIS F 32 102.573 3.767 -2.899 1.00 0.00 N ATOM 1299 CD2 HIS F 32 102.518 2.332 -4.565 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.604 4.124 -3.762 1.00 0.00 C ATOM 1301 NE2 HIS F 32 101.529 3.283 -4.796 1.00 0.00 N ATOM 0 H HIS F 32 106.580 1.235 -2.007 1.00 0.00 H new ATOM 0 HA HIS F 32 105.548 3.634 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.749 1.171 -3.330 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.925 1.402 -1.800 1.00 0.00 H new ATOM 0 HD1 HIS F 32 102.821 4.253 -2.037 1.00 0.00 H new ATOM 0 HD2 HIS F 32 102.737 1.494 -5.210 1.00 0.00 H new ATOM 0 HE1 HIS F 32 100.965 4.985 -3.634 1.00 0.00 H new ATOM 1310 N SER F 33 105.039 3.108 0.148 1.00 0.00 N ATOM 1311 CA SER F 33 104.640 3.741 1.403 1.00 0.00 C ATOM 1312 C SER F 33 105.515 4.969 1.698 1.00 0.00 C ATOM 1313 O SER F 33 105.003 6.002 2.136 1.00 0.00 O ATOM 1314 CB SER F 33 104.734 2.734 2.555 1.00 0.00 C ATOM 1315 OG SER F 33 104.016 1.555 2.212 1.00 0.00 O ATOM 0 H SER F 33 105.425 2.170 0.254 1.00 0.00 H new ATOM 0 HA SER F 33 103.606 4.074 1.306 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.777 2.492 2.757 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.326 3.169 3.467 1.00 0.00 H new ATOM 0 HG SER F 33 104.515 1.054 1.534 1.00 0.00 H new ATOM 1321 N LEU F 34 106.835 4.853 1.444 1.00 0.00 N ATOM 1322 CA LEU F 34 107.763 5.973 1.676 1.00 0.00 C ATOM 1323 C LEU F 34 107.346 7.183 0.836 1.00 0.00 C ATOM 1324 O LEU F 34 107.439 8.327 1.289 1.00 0.00 O ATOM 1325 CB LEU F 34 109.214 5.587 1.303 1.00 0.00 C ATOM 1326 CG LEU F 34 109.705 4.378 2.120 1.00 0.00 C ATOM 1327 CD1 LEU F 34 111.141 4.010 1.692 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.682 4.725 3.615 1.00 0.00 C ATOM 0 H LEU F 34 107.275 4.006 1.083 1.00 0.00 H new ATOM 0 HA LEU F 34 107.723 6.219 2.737 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.268 5.354 0.239 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.874 6.437 1.477 1.00 0.00 H new ATOM 0 HG LEU F 34 109.048 3.527 1.937 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.485 3.154 2.272 1.00 0.00 H new ATOM 0 HD12 LEU F 34 111.151 3.758 0.632 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.802 4.858 1.869 1.00 0.00 H new ATOM 0 HD21 LEU F 34 110.030 3.869 4.193 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.335 5.577 3.801 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.664 4.976 3.915 1.00 0.00 H new ATOM 1340 N HIS F 35 106.890 6.910 -0.390 1.00 0.00 N ATOM 1341 CA HIS F 35 106.458 7.964 -1.311 1.00 0.00 C ATOM 1342 C HIS F 35 105.021 8.411 -1.016 1.00 0.00 C ATOM 1343 O HIS F 35 104.643 9.540 -1.339 1.00 0.00 O ATOM 1344 CB HIS F 35 106.560 7.457 -2.759 1.00 0.00 C ATOM 1345 CG HIS F 35 108.006 7.410 -3.178 1.00 0.00 C ATOM 1346 ND1 HIS F 35 108.800 6.292 -2.975 1.00 0.00 N ATOM 1347 CD2 HIS F 35 108.813 8.337 -3.792 1.00 0.00 C ATOM 1348 CE1 HIS F 35 110.025 6.572 -3.460 1.00 0.00 C ATOM 1349 NE2 HIS F 35 110.086 7.805 -3.969 1.00 0.00 N ATOM 0 H HIS F 35 106.811 5.966 -0.768 1.00 0.00 H new ATOM 0 HA HIS F 35 107.112 8.825 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS F 35 106.115 6.465 -2.840 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.999 8.113 -3.425 1.00 0.00 H new ATOM 0 HD1 HIS F 35 108.510 5.417 -2.538 1.00 0.00 H new ATOM 0 HD2 HIS F 35 108.506 9.328 -4.092 1.00 0.00 H new ATOM 0 HE1 HIS F 35 110.857 5.883 -3.440 1.00 0.00 H new ATOM 1358 N ASP F 36 104.228 7.518 -0.411 1.00 0.00 N ATOM 1359 CA ASP F 36 102.830 7.826 -0.082 1.00 0.00 C ATOM 1360 C ASP F 36 102.744 9.008 0.886 1.00 0.00 C ATOM 1361 O ASP F 36 101.861 9.860 0.756 1.00 0.00 O ATOM 1362 CB ASP F 36 102.154 6.598 0.542 1.00 0.00 C ATOM 1363 CG ASP F 36 100.656 6.859 0.729 1.00 0.00 C ATOM 1364 OD1 ASP F 36 99.918 6.672 -0.226 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.271 7.243 1.822 1.00 0.00 O ATOM 0 H ASP F 36 104.528 6.581 -0.140 1.00 0.00 H new ATOM 0 HA ASP F 36 102.315 8.095 -1.004 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.302 5.728 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.614 6.369 1.503 1.00 0.00 H new ATOM 1370 N ASP F 37 103.666 9.045 1.851 1.00 0.00 N ATOM 1371 CA ASP F 37 103.700 10.120 2.846 1.00 0.00 C ATOM 1372 C ASP F 37 105.102 10.219 3.474 1.00 0.00 C ATOM 1373 O ASP F 37 105.546 9.276 4.138 1.00 0.00 O ATOM 1374 CB ASP F 37 102.655 9.849 3.946 1.00 0.00 C ATOM 1375 CG ASP F 37 102.513 11.040 4.916 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.390 11.898 4.953 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.521 11.068 5.628 1.00 0.00 O ATOM 0 H ASP F 37 104.398 8.344 1.965 1.00 0.00 H new ATOM 0 HA ASP F 37 103.466 11.063 2.352 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.690 9.640 3.485 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.941 8.958 4.505 1.00 0.00 H new ATOM 1382 N PRO F 38 105.802 11.328 3.281 1.00 0.00 N ATOM 1383 CA PRO F 38 107.177 11.518 3.853 1.00 0.00 C ATOM 1384 C PRO F 38 107.217 11.369 5.378 1.00 0.00 C ATOM 1385 O PRO F 38 108.190 10.847 5.924 1.00 0.00 O ATOM 1386 CB PRO F 38 107.566 12.948 3.440 1.00 0.00 C ATOM 1387 CG PRO F 38 106.672 13.298 2.298 1.00 0.00 C ATOM 1388 CD PRO F 38 105.380 12.509 2.497 1.00 0.00 C ATOM 0 HA PRO F 38 107.863 10.757 3.481 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.433 13.644 4.268 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.614 12.999 3.146 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.472 14.369 2.277 1.00 0.00 H new ATOM 0 HG3 PRO F 38 107.140 13.042 1.347 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.632 13.096 3.030 1.00 0.00 H new ATOM 0 HD3 PRO F 38 104.938 12.219 1.544 1.00 0.00 H new ATOM 1396 N SER F 39 106.168 11.837 6.058 1.00 0.00 N ATOM 1397 CA SER F 39 106.116 11.755 7.522 1.00 0.00 C ATOM 1398 C SER F 39 106.074 10.298 7.993 1.00 0.00 C ATOM 1399 O SER F 39 106.656 9.954 9.026 1.00 0.00 O ATOM 1400 CB SER F 39 104.885 12.503 8.052 1.00 0.00 C ATOM 1401 OG SER F 39 103.702 11.794 7.701 1.00 0.00 O ATOM 0 H SER F 39 105.352 12.272 5.627 1.00 0.00 H new ATOM 0 HA SER F 39 107.020 12.220 7.915 1.00 0.00 H new ATOM 0 HB2 SER F 39 104.950 12.607 9.135 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.853 13.510 7.636 1.00 0.00 H new ATOM 0 HG SER F 39 103.380 12.106 6.830 1.00 0.00 H new ATOM 1407 N GLN F 40 105.370 9.456 7.233 1.00 0.00 N ATOM 1408 CA GLN F 40 105.228 8.036 7.570 1.00 0.00 C ATOM 1409 C GLN F 40 106.508 7.242 7.335 1.00 0.00 C ATOM 1410 O GLN F 40 106.666 6.174 7.916 1.00 0.00 O ATOM 1411 CB GLN F 40 104.094 7.410 6.751 1.00 0.00 C ATOM 1412 CG GLN F 40 102.749 7.927 7.264 1.00 0.00 C ATOM 1413 CD GLN F 40 101.604 7.365 6.424 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.407 6.152 6.377 1.00 0.00 O ATOM 1415 NE2 GLN F 40 100.833 8.180 5.758 1.00 0.00 N ATOM 0 H GLN F 40 104.888 9.733 6.378 1.00 0.00 H new ATOM 0 HA GLN F 40 105.000 7.991 8.635 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.213 7.658 5.696 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.132 6.323 6.829 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.617 7.641 8.307 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.734 9.016 7.228 1.00 0.00 H new ATOM 0 HE21 GLN F 40 100.998 9.186 5.798 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.065 7.811 5.197 1.00 0.00 H new ATOM 1424 N SER F 41 107.397 7.733 6.461 1.00 0.00 N ATOM 1425 CA SER F 41 108.636 7.004 6.134 1.00 0.00 C ATOM 1426 C SER F 41 109.356 6.502 7.390 1.00 0.00 C ATOM 1427 O SER F 41 109.783 5.349 7.444 1.00 0.00 O ATOM 1428 CB SER F 41 109.576 7.903 5.326 1.00 0.00 C ATOM 1429 OG SER F 41 110.029 8.976 6.142 1.00 0.00 O ATOM 0 H SER F 41 107.286 8.621 5.971 1.00 0.00 H new ATOM 0 HA SER F 41 108.355 6.134 5.541 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.426 7.325 4.963 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.058 8.293 4.450 1.00 0.00 H new ATOM 0 HG SER F 41 109.425 9.741 6.041 1.00 0.00 H new ATOM 1435 N ALA F 42 109.473 7.370 8.389 1.00 0.00 N ATOM 1436 CA ALA F 42 110.136 7.010 9.647 1.00 0.00 C ATOM 1437 C ALA F 42 109.421 5.834 10.323 1.00 0.00 C ATOM 1438 O ALA F 42 110.060 4.844 10.691 1.00 0.00 O ATOM 1439 CB ALA F 42 110.153 8.217 10.591 1.00 0.00 C ATOM 0 H ALA F 42 109.120 8.326 8.357 1.00 0.00 H new ATOM 0 HA ALA F 42 111.159 6.710 9.422 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.647 7.943 11.523 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.694 9.038 10.122 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.130 8.529 10.800 1.00 0.00 H new ATOM 1445 N ASN F 43 108.097 5.943 10.472 1.00 0.00 N ATOM 1446 CA ASN F 43 107.310 4.873 11.092 1.00 0.00 C ATOM 1447 C ASN F 43 107.376 3.605 10.241 1.00 0.00 C ATOM 1448 O ASN F 43 107.468 2.494 10.770 1.00 0.00 O ATOM 1449 CB ASN F 43 105.849 5.304 11.256 1.00 0.00 C ATOM 1450 CG ASN F 43 105.750 6.451 12.258 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.357 7.562 11.900 1.00 0.00 O ATOM 1452 ND2 ASN F 43 106.080 6.244 13.501 1.00 0.00 N ATOM 0 H ASN F 43 107.552 6.753 10.175 1.00 0.00 H new ATOM 0 HA ASN F 43 107.731 4.668 12.076 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.443 5.616 10.293 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.249 4.460 11.597 1.00 0.00 H new ATOM 0 HD21 ASN F 43 106.013 7.003 14.180 1.00 0.00 H new ATOM 0 HD22 ASN F 43 106.405 5.323 13.796 1.00 0.00 H new ATOM 1459 N LEU F 44 107.340 3.791 8.921 1.00 0.00 N ATOM 1460 CA LEU F 44 107.409 2.675 7.985 1.00 0.00 C ATOM 1461 C LEU F 44 108.752 1.974 8.120 1.00 0.00 C ATOM 1462 O LEU F 44 108.829 0.753 8.021 1.00 0.00 O ATOM 1463 CB LEU F 44 107.230 3.183 6.548 1.00 0.00 C ATOM 1464 CG LEU F 44 105.803 3.725 6.354 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.770 4.662 5.139 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.832 2.556 6.124 1.00 0.00 C ATOM 0 H LEU F 44 107.263 4.707 8.478 1.00 0.00 H new ATOM 0 HA LEU F 44 106.610 1.969 8.213 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.957 3.967 6.338 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.420 2.375 5.842 1.00 0.00 H new ATOM 0 HG LEU F 44 105.503 4.275 7.246 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.759 5.045 5.002 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.455 5.494 5.303 1.00 0.00 H new ATOM 0 HD13 LEU F 44 106.073 4.113 4.248 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.822 2.943 5.987 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.132 2.003 5.234 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.852 1.891 6.988 1.00 0.00 H new ATOM 1478 N LEU F 45 109.802 2.768 8.359 1.00 0.00 N ATOM 1479 CA LEU F 45 111.152 2.231 8.525 1.00 0.00 C ATOM 1480 C LEU F 45 111.197 1.268 9.708 1.00 0.00 C ATOM 1481 O LEU F 45 111.852 0.231 9.643 1.00 0.00 O ATOM 1482 CB LEU F 45 112.155 3.379 8.764 1.00 0.00 C ATOM 1483 CG LEU F 45 113.082 3.542 7.548 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.312 4.203 6.392 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.290 4.424 7.916 1.00 0.00 C ATOM 0 H LEU F 45 109.740 3.783 8.441 1.00 0.00 H new ATOM 0 HA LEU F 45 111.424 1.696 7.615 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.616 4.309 8.946 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.747 3.174 9.656 1.00 0.00 H new ATOM 0 HG LEU F 45 113.433 2.556 7.242 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.973 4.316 5.533 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.462 3.578 6.116 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.954 5.183 6.707 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.939 4.532 7.047 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.940 5.407 8.232 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.847 3.958 8.729 1.00 0.00 H new ATOM 1497 N ALA F 46 110.495 1.627 10.783 1.00 0.00 N ATOM 1498 CA ALA F 46 110.465 0.796 11.982 1.00 0.00 C ATOM 1499 C ALA F 46 109.825 -0.561 11.694 1.00 0.00 C ATOM 1500 O ALA F 46 110.430 -1.600 11.965 1.00 0.00 O ATOM 1501 CB ALA F 46 109.687 1.515 13.093 1.00 0.00 C ATOM 0 H ALA F 46 109.943 2.483 10.846 1.00 0.00 H new ATOM 0 HA ALA F 46 111.492 0.626 12.307 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.667 0.891 13.986 1.00 0.00 H new ATOM 0 HB2 ALA F 46 110.174 2.463 13.323 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.667 1.703 12.759 1.00 0.00 H new ATOM 1507 N GLU F 47 108.601 -0.552 11.147 1.00 0.00 N ATOM 1508 CA GLU F 47 107.912 -1.809 10.841 1.00 0.00 C ATOM 1509 C GLU F 47 108.613 -2.566 9.720 1.00 0.00 C ATOM 1510 O GLU F 47 108.693 -3.786 9.768 1.00 0.00 O ATOM 1511 CB GLU F 47 106.461 -1.571 10.433 1.00 0.00 C ATOM 1512 CG GLU F 47 105.641 -1.000 11.605 1.00 0.00 C ATOM 1513 CD GLU F 47 105.659 -1.947 12.817 1.00 0.00 C ATOM 1514 OE1 GLU F 47 105.249 -3.088 12.664 1.00 0.00 O ATOM 1515 OE2 GLU F 47 106.070 -1.512 13.883 1.00 0.00 O ATOM 0 H GLU F 47 108.079 0.292 10.912 1.00 0.00 H new ATOM 0 HA GLU F 47 107.936 -2.403 11.755 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.426 -0.881 9.590 1.00 0.00 H new ATOM 0 HB3 GLU F 47 106.016 -2.508 10.097 1.00 0.00 H new ATOM 0 HG2 GLU F 47 106.044 -0.029 11.894 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.612 -0.836 11.285 1.00 0.00 H new ATOM 1522 N ALA F 48 109.121 -1.839 8.713 1.00 0.00 N ATOM 1523 CA ALA F 48 109.825 -2.464 7.588 1.00 0.00 C ATOM 1524 C ALA F 48 111.070 -3.169 8.108 1.00 0.00 C ATOM 1525 O ALA F 48 111.326 -4.332 7.787 1.00 0.00 O ATOM 1526 CB ALA F 48 110.224 -1.394 6.565 1.00 0.00 C ATOM 0 H ALA F 48 109.057 -0.823 8.657 1.00 0.00 H new ATOM 0 HA ALA F 48 109.169 -3.188 7.104 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.746 -1.864 5.732 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.330 -0.892 6.196 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.880 -0.664 7.039 1.00 0.00 H new ATOM 1532 N LYS F 49 111.810 -2.451 8.950 1.00 0.00 N ATOM 1533 CA LYS F 49 113.002 -2.993 9.570 1.00 0.00 C ATOM 1534 C LYS F 49 112.612 -4.162 10.480 1.00 0.00 C ATOM 1535 O LYS F 49 113.327 -5.165 10.563 1.00 0.00 O ATOM 1536 CB LYS F 49 113.703 -1.900 10.385 1.00 0.00 C ATOM 1537 CG LYS F 49 115.071 -2.407 10.863 1.00 0.00 C ATOM 1538 CD LYS F 49 115.210 -2.205 12.379 1.00 0.00 C ATOM 1539 CE LYS F 49 115.453 -0.724 12.696 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.582 -0.549 14.172 1.00 0.00 N ATOM 0 H LYS F 49 111.598 -1.489 9.215 1.00 0.00 H new ATOM 0 HA LYS F 49 113.686 -3.350 8.800 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.829 -1.004 9.777 1.00 0.00 H new ATOM 0 HB3 LYS F 49 113.089 -1.621 11.241 1.00 0.00 H new ATOM 0 HG2 LYS F 49 115.182 -3.463 10.618 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.867 -1.874 10.343 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.307 -2.549 12.883 1.00 0.00 H new ATOM 0 HD3 LYS F 49 116.036 -2.806 12.759 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.358 -0.377 12.197 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.629 -0.119 12.317 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.747 0.455 14.390 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.707 -0.865 14.637 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 116.382 -1.115 14.520 1.00 0.00 H new ATOM 1554 N LYS F 50 111.450 -4.029 11.138 1.00 0.00 N ATOM 1555 CA LYS F 50 110.936 -5.077 12.016 1.00 0.00 C ATOM 1556 C LYS F 50 110.540 -6.272 11.170 1.00 0.00 C ATOM 1557 O LYS F 50 110.694 -7.422 11.579 1.00 0.00 O ATOM 1558 CB LYS F 50 109.728 -4.537 12.800 1.00 0.00 C ATOM 1559 CG LYS F 50 109.153 -5.605 13.744 1.00 0.00 C ATOM 1560 CD LYS F 50 107.830 -5.112 14.358 1.00 0.00 C ATOM 1561 CE LYS F 50 108.076 -3.894 15.260 1.00 0.00 C ATOM 1562 NZ LYS F 50 106.784 -3.457 15.863 1.00 0.00 N ATOM 0 H LYS F 50 110.853 -3.204 11.075 1.00 0.00 H new ATOM 0 HA LYS F 50 111.700 -5.386 12.730 1.00 0.00 H new ATOM 0 HB2 LYS F 50 110.028 -3.662 13.377 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.956 -4.211 12.103 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.985 -6.533 13.197 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.870 -5.826 14.535 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.130 -4.849 13.565 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.370 -5.913 14.936 1.00 0.00 H new ATOM 0 HE2 LYS F 50 108.789 -4.146 16.044 1.00 0.00 H new ATOM 0 HE3 LYS F 50 108.513 -3.081 14.681 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 106.957 -3.073 16.814 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 106.353 -2.722 15.266 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 106.139 -4.270 15.930 1.00 0.00 H new ATOM 1576 N LEU F 51 110.030 -5.973 9.978 1.00 0.00 N ATOM 1577 CA LEU F 51 109.602 -6.994 9.039 1.00 0.00 C ATOM 1578 C LEU F 51 110.799 -7.830 8.618 1.00 0.00 C ATOM 1579 O LEU F 51 110.705 -9.050 8.511 1.00 0.00 O ATOM 1580 CB LEU F 51 108.955 -6.328 7.823 1.00 0.00 C ATOM 1581 CG LEU F 51 107.916 -7.259 7.193 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.771 -7.508 8.192 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.371 -6.598 5.924 1.00 0.00 C ATOM 0 H LEU F 51 109.904 -5.018 9.641 1.00 0.00 H new ATOM 0 HA LEU F 51 108.869 -7.648 9.511 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.481 -5.393 8.122 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.720 -6.077 7.088 1.00 0.00 H new ATOM 0 HG LEU F 51 108.374 -8.215 6.941 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.033 -8.171 7.741 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.170 -7.970 9.095 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.299 -6.560 8.448 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.629 -7.250 5.464 1.00 0.00 H new ATOM 0 HD22 LEU F 51 106.907 -5.645 6.180 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.188 -6.427 5.223 1.00 0.00 H new ATOM 1595 N ASN F 52 111.937 -7.155 8.431 1.00 0.00 N ATOM 1596 CA ASN F 52 113.181 -7.835 8.080 1.00 0.00 C ATOM 1597 C ASN F 52 113.489 -8.860 9.182 1.00 0.00 C ATOM 1598 O ASN F 52 113.888 -9.993 8.900 1.00 0.00 O ATOM 1599 CB ASN F 52 114.321 -6.790 7.919 1.00 0.00 C ATOM 1600 CG ASN F 52 115.537 -7.130 8.781 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.431 -7.858 8.352 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.609 -6.642 9.983 1.00 0.00 N ATOM 0 H ASN F 52 112.020 -6.142 8.517 1.00 0.00 H new ATOM 0 HA ASN F 52 113.090 -8.359 7.129 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.621 -6.740 6.872 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.948 -5.803 8.191 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.409 -6.862 10.576 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.865 -6.039 10.334 1.00 0.00 H new ATOM 1609 N ASP F 53 113.262 -8.439 10.435 1.00 0.00 N ATOM 1610 CA ASP F 53 113.474 -9.301 11.598 1.00 0.00 C ATOM 1611 C ASP F 53 112.399 -10.397 11.650 1.00 0.00 C ATOM 1612 O ASP F 53 112.677 -11.537 12.031 1.00 0.00 O ATOM 1613 CB ASP F 53 113.437 -8.464 12.893 1.00 0.00 C ATOM 1614 CG ASP F 53 114.575 -7.434 12.915 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.712 -7.816 12.674 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.292 -6.279 13.180 1.00 0.00 O ATOM 0 H ASP F 53 112.930 -7.502 10.665 1.00 0.00 H new ATOM 0 HA ASP F 53 114.453 -9.772 11.509 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.478 -7.953 12.973 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.520 -9.122 13.758 1.00 0.00 H new ATOM 1621 N ALA F 54 111.172 -10.026 11.266 1.00 0.00 N ATOM 1622 CA ALA F 54 110.036 -10.953 11.265 1.00 0.00 C ATOM 1623 C ALA F 54 110.166 -12.009 10.164 1.00 0.00 C ATOM 1624 O ALA F 54 109.699 -13.140 10.326 1.00 0.00 O ATOM 1625 CB ALA F 54 108.731 -10.173 11.069 1.00 0.00 C ATOM 0 H ALA F 54 110.940 -9.084 10.950 1.00 0.00 H new ATOM 0 HA ALA F 54 110.026 -11.466 12.227 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.890 -10.866 11.069 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.610 -9.456 11.881 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.764 -9.642 10.118 1.00 0.00 H new ATOM 1631 N GLN F 55 110.795 -11.628 9.044 1.00 0.00 N ATOM 1632 CA GLN F 55 110.979 -12.541 7.907 1.00 0.00 C ATOM 1633 C GLN F 55 112.349 -13.210 7.966 1.00 0.00 C ATOM 1634 O GLN F 55 112.663 -14.083 7.154 1.00 0.00 O ATOM 1635 CB GLN F 55 110.849 -11.775 6.584 1.00 0.00 C ATOM 1636 CG GLN F 55 109.429 -11.215 6.450 1.00 0.00 C ATOM 1637 CD GLN F 55 109.243 -10.567 5.079 1.00 0.00 C ATOM 1638 OE1 GLN F 55 108.896 -11.246 4.112 1.00 0.00 O ATOM 1639 NE2 GLN F 55 109.460 -9.290 4.935 1.00 0.00 N ATOM 0 H GLN F 55 111.184 -10.696 8.901 1.00 0.00 H new ATOM 0 HA GLN F 55 110.206 -13.307 7.963 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.575 -10.963 6.550 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.070 -12.436 5.746 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.701 -12.015 6.584 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.244 -10.481 7.235 1.00 0.00 H new ATOM 0 HE21 GLN F 55 109.747 -8.728 5.736 1.00 0.00 H new ATOM 0 HE22 GLN F 55 109.342 -8.853 4.021 1.00 0.00 H new ATOM 1648 N ALA F 56 113.158 -12.771 8.925 1.00 0.00 N ATOM 1649 CA ALA F 56 114.503 -13.286 9.108 1.00 0.00 C ATOM 1650 C ALA F 56 114.506 -14.789 9.400 1.00 0.00 C ATOM 1651 O ALA F 56 113.458 -15.393 9.650 1.00 0.00 O ATOM 1652 CB ALA F 56 115.178 -12.537 10.264 1.00 0.00 C ATOM 0 H ALA F 56 112.896 -12.048 9.595 1.00 0.00 H new ATOM 0 HA ALA F 56 115.052 -13.129 8.180 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.189 -12.920 10.405 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.223 -11.473 10.031 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.603 -12.685 11.178 1.00 0.00 H new