USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=15 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= -2.62! C(o=-5.3!,f=-7.4!) USER MOD Set 1.2: F 55 GLN : amide:sc= -2.69 K(o=-5.3,f=-7.6!) USER MOD Set 2.1: E 23 ASN : amide:sc= -2! C(o=-6.1!,f=-5.9!) USER MOD Set 2.2: E 55 GLN : amide:sc= -4.09! X(o=-6.1!,f=-5.9) USER MOD Set 3.1: E 21 ASN : amide:sc= -2.55 K(o=-2.5,f=-8.4!) USER MOD Set 3.2: E 52 ASN : amide:sc= 0.0527 K(o=-2.5,f=-5.3) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 MET CE :methyl -158:sc= -0.141 (180deg=-1.19) USER MOD Single : E 18 TYR OH : rot 144:sc= 0.78 USER MOD Single : E 26 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.28) USER MOD Single : E 32 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.15) USER MOD Single : E 33 SER OG : rot 160:sc= -0.0121 USER MOD Single : E 35 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.74) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : E 41 SER OG : rot 174:sc= -1.03 USER MOD Single : E 43 ASN : amide:sc=-0.00657 X(o=-0.0066,f=0) USER MOD Single : E 49 LYS NZ :NH3+ 137:sc= 0.515 (180deg=-0.913) USER MOD Single : E 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0524) USER MOD Single : F 18 TYR OH : rot -87:sc= 0.472 USER MOD Single : F 21 ASN : amide:sc= -0.72 K(o=-0.72,f=-1.3) USER MOD Single : F 26 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.3) USER MOD Single : F 32 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.5!) USER MOD Single : F 33 SER OG : rot 71:sc= 1.15 USER MOD Single : F 35 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.5) USER MOD Single : F 39 SER OG : rot 89:sc= 0.856 USER MOD Single : F 40 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : F 41 SER OG : rot -85:sc= 0.887 USER MOD Single : F 43 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : F 49 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.98) USER MOD Single : F 50 LYS NZ :NH3+ -158:sc= 0.408 (180deg=0.111) USER MOD Single : F 52 ASN : amide:sc= -0.988 K(o=-0.99,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU C 17 122.931 -7.704 -3.615 1.00 0.00 N ATOM 24 CA LEU C 17 122.336 -6.366 -3.527 1.00 0.00 C ATOM 25 C LEU C 17 121.483 -6.299 -2.263 1.00 0.00 C ATOM 26 O LEU C 17 120.816 -7.277 -1.912 1.00 0.00 O ATOM 27 CB LEU C 17 121.430 -6.085 -4.740 1.00 0.00 C ATOM 28 CG LEU C 17 122.195 -5.369 -5.864 1.00 0.00 C ATOM 29 CD1 LEU C 17 122.744 -4.023 -5.382 1.00 0.00 C ATOM 30 CD2 LEU C 17 123.336 -6.251 -6.374 1.00 0.00 C ATOM 0 HA LEU C 17 123.136 -5.626 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU C 17 121.024 -7.024 -5.116 1.00 0.00 H new ATOM 0 HB3 LEU C 17 120.583 -5.473 -4.428 1.00 0.00 H new ATOM 0 HG LEU C 17 121.499 -5.181 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU C 17 123.281 -3.537 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU C 17 121.919 -3.387 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.423 -4.186 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU C 17 123.870 -5.732 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU C 17 124.024 -6.465 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU C 17 122.929 -7.186 -6.760 1.00 0.00 H new ATOM 42 N VAL C 18 121.497 -5.147 -1.594 1.00 0.00 N ATOM 43 CA VAL C 18 120.706 -4.963 -0.370 1.00 0.00 C ATOM 44 C VAL C 18 119.993 -3.621 -0.426 1.00 0.00 C ATOM 45 O VAL C 18 120.632 -2.607 -0.662 1.00 0.00 O ATOM 46 CB VAL C 18 121.620 -5.014 0.866 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.770 -5.045 2.144 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.509 -6.268 0.810 1.00 0.00 C ATOM 0 H VAL C 18 122.041 -4.331 -1.873 1.00 0.00 H new ATOM 0 HA VAL C 18 119.971 -5.765 -0.296 1.00 0.00 H new ATOM 0 HB VAL C 18 122.251 -4.125 0.874 1.00 0.00 H new ATOM 0 HG11 VAL C 18 121.424 -5.081 3.015 1.00 0.00 H new ATOM 0 HG12 VAL C 18 120.152 -4.149 2.191 1.00 0.00 H new ATOM 0 HG13 VAL C 18 120.130 -5.927 2.134 1.00 0.00 H new ATOM 0 HG21 VAL C 18 123.153 -6.297 1.689 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.881 -7.159 0.791 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.124 -6.238 -0.090 1.00 0.00 H new ATOM 58 N PHE C 19 118.675 -3.624 -0.203 1.00 0.00 N ATOM 59 CA PHE C 19 117.890 -2.395 -0.232 1.00 0.00 C ATOM 60 C PHE C 19 117.681 -1.872 1.174 1.00 0.00 C ATOM 61 O PHE C 19 117.305 -2.617 2.078 1.00 0.00 O ATOM 62 CB PHE C 19 116.523 -2.640 -0.896 1.00 0.00 C ATOM 63 CG PHE C 19 116.527 -2.054 -2.289 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.373 -2.598 -3.265 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.702 -0.959 -2.606 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.396 -2.058 -4.551 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.732 -0.421 -3.898 1.00 0.00 C ATOM 68 CZ PHE C 19 116.579 -0.972 -4.868 1.00 0.00 C ATOM 0 H PHE C 19 118.134 -4.465 -0.001 1.00 0.00 H new ATOM 0 HA PHE C 19 118.440 -1.655 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.315 -3.709 -0.940 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.731 -2.185 -0.301 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.008 -3.437 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.049 -0.536 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.047 -2.481 -5.302 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.101 0.420 -4.147 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.600 -0.555 -5.864 1.00 0.00 H new ATOM 78 N PHE C 20 117.933 -0.582 1.336 1.00 0.00 N ATOM 79 CA PHE C 20 117.777 0.081 2.634 1.00 0.00 C ATOM 80 C PHE C 20 117.220 1.494 2.463 1.00 0.00 C ATOM 81 O PHE C 20 117.392 2.114 1.408 1.00 0.00 O ATOM 82 CB PHE C 20 119.129 0.146 3.349 1.00 0.00 C ATOM 83 CG PHE C 20 120.080 0.981 2.541 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.096 2.370 2.697 1.00 0.00 C ATOM 85 CD2 PHE C 20 120.927 0.367 1.623 1.00 0.00 C ATOM 86 CE1 PHE C 20 120.963 3.142 1.934 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.791 1.136 0.859 1.00 0.00 C ATOM 88 CZ PHE C 20 121.813 2.529 1.010 1.00 0.00 C ATOM 0 H PHE C 20 118.248 0.033 0.586 1.00 0.00 H new ATOM 0 HA PHE C 20 117.073 -0.499 3.231 1.00 0.00 H new ATOM 0 HB2 PHE C 20 119.007 0.574 4.344 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.532 -0.858 3.482 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.436 2.842 3.409 1.00 0.00 H new ATOM 0 HD2 PHE C 20 120.911 -0.707 1.506 1.00 0.00 H new ATOM 0 HE1 PHE C 20 120.980 4.215 2.055 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.448 0.661 0.146 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.486 3.127 0.413 1.00 0.00 H new ATOM 98 N ALA C 21 116.579 2.004 3.518 1.00 0.00 N ATOM 99 CA ALA C 21 116.024 3.351 3.504 1.00 0.00 C ATOM 100 C ALA C 21 116.716 4.196 4.568 1.00 0.00 C ATOM 101 O ALA C 21 116.847 3.763 5.717 1.00 0.00 O ATOM 102 CB ALA C 21 114.524 3.289 3.771 1.00 0.00 C ATOM 0 H ALA C 21 116.434 1.499 4.392 1.00 0.00 H new ATOM 0 HA ALA C 21 116.189 3.806 2.527 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.111 4.297 3.760 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.041 2.691 2.998 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.346 2.835 4.746 1.00 0.00 H new ATOM 108 N GLU C 22 117.162 5.393 4.179 1.00 0.00 N ATOM 109 CA GLU C 22 117.846 6.296 5.089 1.00 0.00 C ATOM 110 C GLU C 22 116.938 7.470 5.448 1.00 0.00 C ATOM 111 O GLU C 22 116.366 8.102 4.566 1.00 0.00 O ATOM 112 CB GLU C 22 119.135 6.787 4.410 1.00 0.00 C ATOM 113 CG GLU C 22 119.791 7.888 5.252 1.00 0.00 C ATOM 114 CD GLU C 22 121.201 8.229 4.735 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.396 8.259 3.528 1.00 0.00 O ATOM 116 OE2 GLU C 22 122.069 8.468 5.563 1.00 0.00 O ATOM 0 H GLU C 22 117.057 5.755 3.231 1.00 0.00 H new ATOM 0 HA GLU C 22 118.098 5.778 6.014 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.827 5.955 4.283 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.908 7.167 3.414 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.169 8.783 5.232 1.00 0.00 H new ATOM 0 HG3 GLU C 22 119.852 7.565 6.291 1.00 0.00 H new ATOM 123 N ASP C 23 116.834 7.760 6.750 1.00 0.00 N ATOM 124 CA ASP C 23 116.014 8.868 7.229 1.00 0.00 C ATOM 125 C ASP C 23 116.750 10.169 6.959 1.00 0.00 C ATOM 126 O ASP C 23 117.871 10.367 7.428 1.00 0.00 O ATOM 127 CB ASP C 23 115.743 8.718 8.732 1.00 0.00 C ATOM 128 CG ASP C 23 114.793 9.820 9.206 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.593 9.643 9.062 1.00 0.00 O ATOM 130 OD2 ASP C 23 115.278 10.824 9.703 1.00 0.00 O ATOM 0 H ASP C 23 117.309 7.240 7.488 1.00 0.00 H new ATOM 0 HA ASP C 23 115.057 8.869 6.708 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.308 7.739 8.935 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.680 8.772 9.286 1.00 0.00 H new ATOM 135 N VAL C 24 116.132 11.023 6.156 1.00 0.00 N ATOM 136 CA VAL C 24 116.746 12.298 5.765 1.00 0.00 C ATOM 137 C VAL C 24 115.877 13.500 6.131 1.00 0.00 C ATOM 138 O VAL C 24 116.329 14.646 6.027 1.00 0.00 O ATOM 139 CB VAL C 24 117.001 12.264 4.246 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.789 10.985 3.914 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.656 12.278 3.481 1.00 0.00 C ATOM 0 H VAL C 24 115.206 10.863 5.759 1.00 0.00 H new ATOM 0 HA VAL C 24 117.682 12.416 6.312 1.00 0.00 H new ATOM 0 HB VAL C 24 117.574 13.141 3.944 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.979 10.943 2.842 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.738 10.992 4.451 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.209 10.112 4.214 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.847 12.254 2.408 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.067 11.406 3.764 1.00 0.00 H new ATOM 0 HG23 VAL C 24 115.105 13.185 3.731 1.00 0.00 H new ATOM 183 N LYS C 28 111.238 14.994 2.832 1.00 0.00 N ATOM 184 CA LYS C 28 111.446 13.900 1.883 1.00 0.00 C ATOM 185 C LYS C 28 111.286 12.550 2.583 1.00 0.00 C ATOM 186 O LYS C 28 111.341 11.497 1.939 1.00 0.00 O ATOM 187 CB LYS C 28 112.856 13.991 1.287 1.00 0.00 C ATOM 188 CG LYS C 28 113.010 15.286 0.479 1.00 0.00 C ATOM 189 CD LYS C 28 114.210 15.171 -0.472 1.00 0.00 C ATOM 190 CE LYS C 28 115.514 15.044 0.326 1.00 0.00 C ATOM 191 NZ LYS C 28 116.674 15.277 -0.581 1.00 0.00 N ATOM 0 HA LYS C 28 110.703 13.984 1.090 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.598 13.962 2.085 1.00 0.00 H new ATOM 0 HB3 LYS C 28 113.043 13.130 0.646 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.101 15.479 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS C 28 113.149 16.131 1.153 1.00 0.00 H new ATOM 0 HD2 LYS C 28 114.087 14.303 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.255 16.048 -1.118 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.526 15.766 1.142 1.00 0.00 H new ATOM 0 HE3 LYS C 28 115.583 14.054 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 117.559 15.191 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 116.664 14.572 -1.345 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 116.609 16.231 -0.990 1.00 0.00 H new ATOM 205 N GLY C 29 111.111 12.590 3.908 1.00 0.00 N ATOM 206 CA GLY C 29 110.971 11.368 4.695 1.00 0.00 C ATOM 207 C GLY C 29 112.294 10.614 4.687 1.00 0.00 C ATOM 208 O GLY C 29 113.252 11.026 5.351 1.00 0.00 O ATOM 0 H GLY C 29 111.064 13.451 4.452 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.683 11.611 5.718 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.180 10.743 4.281 1.00 0.00 H new ATOM 212 N ALA C 30 112.343 9.526 3.913 1.00 0.00 N ATOM 213 CA ALA C 30 113.556 8.721 3.786 1.00 0.00 C ATOM 214 C ALA C 30 113.935 8.565 2.312 1.00 0.00 C ATOM 215 O ALA C 30 113.125 8.843 1.421 1.00 0.00 O ATOM 216 CB ALA C 30 113.350 7.347 4.421 1.00 0.00 C ATOM 0 H ALA C 30 111.554 9.184 3.365 1.00 0.00 H new ATOM 0 HA ALA C 30 114.367 9.230 4.307 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.262 6.759 4.319 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.112 7.467 5.478 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.529 6.834 3.920 1.00 0.00 H new ATOM 222 N ILE C 31 115.172 8.119 2.070 1.00 0.00 N ATOM 223 CA ILE C 31 115.678 7.923 0.707 1.00 0.00 C ATOM 224 C ILE C 31 115.999 6.455 0.474 1.00 0.00 C ATOM 225 O ILE C 31 116.567 5.793 1.346 1.00 0.00 O ATOM 226 CB ILE C 31 116.958 8.748 0.463 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.696 10.232 0.765 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.389 8.593 -1.002 1.00 0.00 C ATOM 229 CD1 ILE C 31 117.949 11.072 0.468 1.00 0.00 C ATOM 0 H ILE C 31 115.843 7.886 2.802 1.00 0.00 H new ATOM 0 HA ILE C 31 114.901 8.254 0.018 1.00 0.00 H new ATOM 0 HB ILE C 31 117.748 8.386 1.121 1.00 0.00 H new ATOM 0 HG12 ILE C 31 115.860 10.590 0.163 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.410 10.351 1.810 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.294 9.175 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.586 7.542 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.594 8.952 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.745 12.120 0.688 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.775 10.725 1.089 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.217 10.967 -0.583 1.00 0.00 H new ATOM 241 N ILE C 32 115.655 5.969 -0.718 1.00 0.00 N ATOM 242 CA ILE C 32 115.932 4.585 -1.078 1.00 0.00 C ATOM 243 C ILE C 32 117.347 4.465 -1.623 1.00 0.00 C ATOM 244 O ILE C 32 117.710 5.108 -2.617 1.00 0.00 O ATOM 245 CB ILE C 32 114.892 4.059 -2.109 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.760 3.345 -1.363 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.527 3.070 -3.111 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.303 2.097 -0.644 1.00 0.00 C ATOM 0 H ILE C 32 115.187 6.511 -1.444 1.00 0.00 H new ATOM 0 HA ILE C 32 115.849 3.968 -0.183 1.00 0.00 H new ATOM 0 HB ILE C 32 114.512 4.915 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.307 4.023 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.977 3.058 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.768 2.726 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.327 3.569 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.934 2.216 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.490 1.598 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.734 1.414 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE C 32 115.070 2.394 0.071 1.00 0.00 H new ATOM 260 N GLY C 33 118.118 3.607 -0.971 1.00 0.00 N ATOM 261 CA GLY C 33 119.486 3.329 -1.362 1.00 0.00 C ATOM 262 C GLY C 33 119.709 1.828 -1.325 1.00 0.00 C ATOM 263 O GLY C 33 119.040 1.113 -0.572 1.00 0.00 O ATOM 0 H GLY C 33 117.808 3.083 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.678 3.715 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.181 3.831 -0.688 1.00 0.00 H new ATOM 267 N LEU C 34 120.647 1.355 -2.133 1.00 0.00 N ATOM 268 CA LEU C 34 120.953 -0.070 -2.187 1.00 0.00 C ATOM 269 C LEU C 34 122.455 -0.310 -2.212 1.00 0.00 C ATOM 270 O LEU C 34 123.204 0.399 -2.880 1.00 0.00 O ATOM 271 CB LEU C 34 120.205 -0.834 -3.324 1.00 0.00 C ATOM 272 CG LEU C 34 120.250 -0.192 -4.744 1.00 0.00 C ATOM 273 CD1 LEU C 34 120.086 1.328 -4.717 1.00 0.00 C ATOM 274 CD2 LEU C 34 121.527 -0.627 -5.491 1.00 0.00 C ATOM 0 H LEU C 34 121.208 1.933 -2.758 1.00 0.00 H new ATOM 0 HA LEU C 34 120.564 -0.500 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.623 -1.839 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.160 -0.942 -3.032 1.00 0.00 H new ATOM 0 HG LEU C 34 119.388 -0.566 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU C 34 120.126 1.716 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU C 34 119.125 1.582 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.890 1.770 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU C 34 121.543 -0.170 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU C 34 122.404 -0.306 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU C 34 121.538 -1.712 -5.592 1.00 0.00 H new ATOM 286 N MET C 35 122.873 -1.309 -1.433 1.00 0.00 N ATOM 287 CA MET C 35 124.289 -1.661 -1.298 1.00 0.00 C ATOM 288 C MET C 35 124.679 -2.694 -2.348 1.00 0.00 C ATOM 289 O MET C 35 123.864 -3.534 -2.723 1.00 0.00 O ATOM 290 CB MET C 35 124.571 -2.169 0.140 1.00 0.00 C ATOM 291 CG MET C 35 124.795 -3.690 0.173 1.00 0.00 C ATOM 292 SD MET C 35 124.695 -4.285 1.873 1.00 0.00 S ATOM 293 CE MET C 35 126.083 -3.329 2.511 1.00 0.00 C ATOM 0 H MET C 35 122.245 -1.894 -0.881 1.00 0.00 H new ATOM 0 HA MET C 35 124.901 -0.775 -1.467 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.450 -1.663 0.539 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.733 -1.910 0.788 1.00 0.00 H new ATOM 0 HG2 MET C 35 124.047 -4.190 -0.442 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.770 -3.933 -0.250 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.463 -3.800 3.417 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.874 -3.292 1.762 1.00 0.00 H new ATOM 0 HE3 MET C 35 125.752 -2.316 2.740 1.00 0.00 H new ATOM 303 N VAL C 36 125.926 -2.608 -2.823 1.00 0.00 N ATOM 304 CA VAL C 36 126.430 -3.521 -3.850 1.00 0.00 C ATOM 305 C VAL C 36 127.714 -4.226 -3.396 1.00 0.00 C ATOM 306 O VAL C 36 128.701 -3.572 -3.046 1.00 0.00 O ATOM 307 CB VAL C 36 126.746 -2.734 -5.142 1.00 0.00 C ATOM 308 CG1 VAL C 36 126.960 -3.711 -6.308 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.606 -1.762 -5.494 1.00 0.00 C ATOM 0 H VAL C 36 126.605 -1.913 -2.511 1.00 0.00 H new ATOM 0 HA VAL C 36 125.657 -4.268 -4.029 1.00 0.00 H new ATOM 0 HB VAL C 36 127.654 -2.155 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.182 -3.151 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.793 -4.375 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.056 -4.302 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL C 36 125.857 -1.223 -6.407 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.684 -2.323 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.469 -1.051 -4.679 1.00 0.00 H new ATOM 319 N GLY C 37 127.706 -5.560 -3.471 1.00 0.00 N ATOM 320 CA GLY C 37 128.884 -6.367 -3.140 1.00 0.00 C ATOM 321 C GLY C 37 129.181 -6.483 -1.661 1.00 0.00 C ATOM 322 O GLY C 37 129.497 -5.499 -0.991 1.00 0.00 O ATOM 0 H GLY C 37 126.894 -6.106 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.747 -7.368 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.753 -5.936 -3.638 1.00 0.00 H new ATOM 367 N GLY E 14 131.334 -2.532 0.511 1.00 0.00 N ATOM 368 CA GLY E 14 130.717 -2.534 -0.817 1.00 0.00 C ATOM 369 C GLY E 14 130.370 -1.124 -1.299 1.00 0.00 C ATOM 370 O GLY E 14 130.450 -0.153 -0.540 1.00 0.00 O ATOM 0 HA2 GLY E 14 131.396 -3.002 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY E 14 129.812 -3.140 -0.793 1.00 0.00 H new ATOM 374 N GLU E 15 129.952 -1.040 -2.569 1.00 0.00 N ATOM 375 CA GLU E 15 129.547 0.230 -3.178 1.00 0.00 C ATOM 376 C GLU E 15 128.081 0.481 -2.858 1.00 0.00 C ATOM 377 O GLU E 15 127.243 -0.384 -3.099 1.00 0.00 O ATOM 378 CB GLU E 15 129.756 0.166 -4.705 1.00 0.00 C ATOM 379 CG GLU E 15 129.239 1.451 -5.380 1.00 0.00 C ATOM 380 CD GLU E 15 129.405 1.361 -6.902 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.538 1.310 -7.355 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.395 1.349 -7.594 1.00 0.00 O ATOM 0 H GLU E 15 129.886 -1.842 -3.196 1.00 0.00 H new ATOM 0 HA GLU E 15 130.152 1.044 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU E 15 130.815 0.034 -4.927 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.234 -0.700 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.189 1.603 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.785 2.314 -4.999 1.00 0.00 H new ATOM 389 N ILE E 16 127.777 1.661 -2.310 1.00 0.00 N ATOM 390 CA ILE E 16 126.398 1.993 -1.950 1.00 0.00 C ATOM 391 C ILE E 16 125.800 2.999 -2.943 1.00 0.00 C ATOM 392 O ILE E 16 126.388 4.042 -3.239 1.00 0.00 O ATOM 393 CB ILE E 16 126.343 2.505 -0.497 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.013 1.436 0.433 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.878 2.753 -0.099 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.237 1.217 1.746 1.00 0.00 C ATOM 0 H ILE E 16 128.458 2.393 -2.108 1.00 0.00 H new ATOM 0 HA ILE E 16 125.786 1.093 -2.009 1.00 0.00 H new ATOM 0 HB ILE E 16 126.883 3.447 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.086 0.490 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.031 1.750 0.666 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.836 3.115 0.928 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.441 3.498 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.317 1.822 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE E 16 126.748 0.467 2.350 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.186 2.155 2.299 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.227 0.875 1.519 1.00 0.00 H new ATOM 408 N VAL E 17 124.632 2.618 -3.464 1.00 0.00 N ATOM 409 CA VAL E 17 123.881 3.389 -4.465 1.00 0.00 C ATOM 410 C VAL E 17 122.641 4.051 -3.859 1.00 0.00 C ATOM 411 O VAL E 17 121.998 3.491 -2.976 1.00 0.00 O ATOM 412 CB VAL E 17 123.446 2.410 -5.585 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.369 3.024 -6.512 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.670 2.030 -6.426 1.00 0.00 C ATOM 0 H VAL E 17 124.170 1.748 -3.199 1.00 0.00 H new ATOM 0 HA VAL E 17 124.518 4.184 -4.854 1.00 0.00 H new ATOM 0 HB VAL E 17 123.014 1.531 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.096 2.301 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.487 3.280 -5.925 1.00 0.00 H new ATOM 0 HG13 VAL E 17 122.765 3.923 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.369 1.341 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.098 2.928 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.414 1.550 -5.790 1.00 0.00 H new ATOM 424 N TYR E 18 122.301 5.231 -4.387 1.00 0.00 N ATOM 425 CA TYR E 18 121.110 5.973 -3.964 1.00 0.00 C ATOM 426 C TYR E 18 120.279 6.336 -5.198 1.00 0.00 C ATOM 427 O TYR E 18 120.798 6.941 -6.140 1.00 0.00 O ATOM 428 CB TYR E 18 121.509 7.246 -3.202 1.00 0.00 C ATOM 429 CG TYR E 18 121.795 6.901 -1.768 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.005 6.304 -1.421 1.00 0.00 C ATOM 431 CD2 TYR E 18 120.844 7.188 -0.784 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.269 5.997 -0.090 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.103 6.881 0.547 1.00 0.00 C ATOM 434 CZ TYR E 18 122.320 6.286 0.902 1.00 0.00 C ATOM 435 OH TYR E 18 122.583 5.988 2.222 1.00 0.00 O ATOM 0 H TYR E 18 122.841 5.697 -5.116 1.00 0.00 H new ATOM 0 HA TYR E 18 120.518 5.348 -3.295 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.389 7.697 -3.661 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.707 7.982 -3.257 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.736 6.080 -2.183 1.00 0.00 H new ATOM 0 HD2 TYR E 18 119.907 7.649 -1.058 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.207 5.535 0.180 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.367 7.101 1.306 1.00 0.00 H new ATOM 0 HH TYR E 18 122.197 6.681 2.797 1.00 0.00 H new ATOM 445 N LEU E 19 118.988 5.965 -5.181 1.00 0.00 N ATOM 446 CA LEU E 19 118.078 6.256 -6.300 1.00 0.00 C ATOM 447 C LEU E 19 116.889 7.098 -5.788 1.00 0.00 C ATOM 448 O LEU E 19 115.735 6.655 -5.821 1.00 0.00 O ATOM 449 CB LEU E 19 117.574 4.934 -6.939 1.00 0.00 C ATOM 450 CG LEU E 19 118.758 4.089 -7.475 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.297 2.657 -7.808 1.00 0.00 C ATOM 452 CD2 LEU E 19 119.361 4.737 -8.733 1.00 0.00 C ATOM 0 H LEU E 19 118.552 5.464 -4.406 1.00 0.00 H new ATOM 0 HA LEU E 19 118.612 6.822 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.017 4.358 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU E 19 116.885 5.159 -7.753 1.00 0.00 H new ATOM 0 HG LEU E 19 119.518 4.047 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.143 2.080 -8.183 1.00 0.00 H new ATOM 0 HD12 LEU E 19 117.904 2.183 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.517 2.693 -8.569 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.190 4.129 -9.094 1.00 0.00 H new ATOM 0 HD22 LEU E 19 118.598 4.806 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU E 19 119.723 5.736 -8.490 1.00 0.00 H new ATOM 464 N PRO E 20 117.160 8.300 -5.300 1.00 0.00 N ATOM 465 CA PRO E 20 116.109 9.225 -4.748 1.00 0.00 C ATOM 466 C PRO E 20 115.180 9.787 -5.819 1.00 0.00 C ATOM 467 O PRO E 20 114.023 10.111 -5.537 1.00 0.00 O ATOM 468 CB PRO E 20 116.922 10.364 -4.116 1.00 0.00 C ATOM 469 CG PRO E 20 118.215 10.372 -4.855 1.00 0.00 C ATOM 470 CD PRO E 20 118.501 8.918 -5.221 1.00 0.00 C ATOM 0 HA PRO E 20 115.454 8.700 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.406 11.319 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO E 20 117.078 10.194 -3.051 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.150 10.993 -5.748 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.014 10.783 -4.238 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.032 8.842 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.121 8.431 -4.468 1.00 0.00 H new ATOM 478 N ASN E 21 115.709 9.933 -7.034 1.00 0.00 N ATOM 479 CA ASN E 21 114.942 10.498 -8.142 1.00 0.00 C ATOM 480 C ASN E 21 114.178 9.434 -8.932 1.00 0.00 C ATOM 481 O ASN E 21 113.534 9.762 -9.932 1.00 0.00 O ATOM 482 CB ASN E 21 115.874 11.286 -9.077 1.00 0.00 C ATOM 483 CG ASN E 21 117.168 10.525 -9.340 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.137 9.370 -9.752 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.310 11.112 -9.123 1.00 0.00 N ATOM 0 H ASN E 21 116.664 9.668 -7.275 1.00 0.00 H new ATOM 0 HA ASN E 21 114.199 11.169 -7.711 1.00 0.00 H new ATOM 0 HB2 ASN E 21 115.366 11.480 -10.021 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.103 12.255 -8.633 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.182 10.611 -9.296 1.00 0.00 H new ATOM 0 HD22 ASN E 21 118.333 12.072 -8.780 1.00 0.00 H new ATOM 492 N LEU E 22 114.227 8.170 -8.484 1.00 0.00 N ATOM 493 CA LEU E 22 113.509 7.103 -9.179 1.00 0.00 C ATOM 494 C LEU E 22 112.110 6.945 -8.600 1.00 0.00 C ATOM 495 O LEU E 22 111.939 6.830 -7.382 1.00 0.00 O ATOM 496 CB LEU E 22 114.286 5.784 -9.074 1.00 0.00 C ATOM 497 CG LEU E 22 115.111 5.572 -10.352 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.175 6.671 -10.487 1.00 0.00 C ATOM 499 CD2 LEU E 22 115.782 4.188 -10.310 1.00 0.00 C ATOM 0 H LEU E 22 114.747 7.870 -7.659 1.00 0.00 H new ATOM 0 HA LEU E 22 113.420 7.369 -10.232 1.00 0.00 H new ATOM 0 HB2 LEU E 22 114.942 5.805 -8.204 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.595 4.953 -8.932 1.00 0.00 H new ATOM 0 HG LEU E 22 114.448 5.623 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU E 22 116.752 6.509 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.688 7.645 -10.535 1.00 0.00 H new ATOM 0 HD13 LEU E 22 116.841 6.641 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.367 4.040 -11.218 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.438 4.128 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.017 3.415 -10.241 1.00 0.00 H new ATOM 511 N ASN E 23 111.113 6.937 -9.488 1.00 0.00 N ATOM 512 CA ASN E 23 109.719 6.787 -9.071 1.00 0.00 C ATOM 513 C ASN E 23 109.494 5.377 -8.517 1.00 0.00 C ATOM 514 O ASN E 23 110.231 4.451 -8.869 1.00 0.00 O ATOM 515 CB ASN E 23 108.768 7.062 -10.252 1.00 0.00 C ATOM 516 CG ASN E 23 109.275 6.385 -11.525 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.037 5.200 -11.734 1.00 0.00 O ATOM 518 ND2 ASN E 23 109.960 7.076 -12.393 1.00 0.00 N ATOM 0 H ASN E 23 111.245 7.032 -10.495 1.00 0.00 H new ATOM 0 HA ASN E 23 109.504 7.514 -8.287 1.00 0.00 H new ATOM 0 HB2 ASN E 23 107.769 6.697 -10.013 1.00 0.00 H new ATOM 0 HB3 ASN E 23 108.684 8.137 -10.415 1.00 0.00 H new ATOM 0 HD21 ASN E 23 110.298 6.631 -13.246 1.00 0.00 H new ATOM 0 HD22 ASN E 23 110.158 8.061 -12.219 1.00 0.00 H new ATOM 525 N PRO E 24 108.503 5.182 -7.660 1.00 0.00 N ATOM 526 CA PRO E 24 108.223 3.837 -7.059 1.00 0.00 C ATOM 527 C PRO E 24 108.108 2.746 -8.121 1.00 0.00 C ATOM 528 O PRO E 24 108.501 1.602 -7.889 1.00 0.00 O ATOM 529 CB PRO E 24 106.891 4.030 -6.323 1.00 0.00 C ATOM 530 CG PRO E 24 106.797 5.494 -6.045 1.00 0.00 C ATOM 531 CD PRO E 24 107.553 6.204 -7.169 1.00 0.00 C ATOM 0 HA PRO E 24 109.029 3.509 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.053 3.692 -6.933 1.00 0.00 H new ATOM 0 HB3 PRO E 24 106.866 3.453 -5.399 1.00 0.00 H new ATOM 0 HG2 PRO E 24 105.756 5.816 -6.015 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.233 5.732 -5.075 1.00 0.00 H new ATOM 0 HD2 PRO E 24 106.878 6.534 -7.958 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.073 7.090 -6.804 1.00 0.00 H new ATOM 539 N ASP E 25 107.589 3.117 -9.292 1.00 0.00 N ATOM 540 CA ASP E 25 107.451 2.163 -10.387 1.00 0.00 C ATOM 541 C ASP E 25 108.831 1.707 -10.859 1.00 0.00 C ATOM 542 O ASP E 25 109.059 0.512 -11.062 1.00 0.00 O ATOM 543 CB ASP E 25 106.676 2.795 -11.555 1.00 0.00 C ATOM 544 CG ASP E 25 105.260 3.178 -11.113 1.00 0.00 C ATOM 545 OD1 ASP E 25 104.492 2.280 -10.804 1.00 0.00 O ATOM 546 OD2 ASP E 25 104.962 4.362 -11.097 1.00 0.00 O ATOM 0 H ASP E 25 107.262 4.060 -9.503 1.00 0.00 H new ATOM 0 HA ASP E 25 106.894 1.298 -10.028 1.00 0.00 H new ATOM 0 HB2 ASP E 25 107.203 3.679 -11.913 1.00 0.00 H new ATOM 0 HB3 ASP E 25 106.626 2.094 -12.388 1.00 0.00 H new ATOM 551 N GLN E 26 109.750 2.670 -11.031 1.00 0.00 N ATOM 552 CA GLN E 26 111.098 2.368 -11.476 1.00 0.00 C ATOM 553 C GLN E 26 111.851 1.551 -10.424 1.00 0.00 C ATOM 554 O GLN E 26 112.526 0.575 -10.763 1.00 0.00 O ATOM 555 CB GLN E 26 111.846 3.670 -11.771 1.00 0.00 C ATOM 556 CG GLN E 26 113.162 3.358 -12.485 1.00 0.00 C ATOM 557 CD GLN E 26 112.896 2.731 -13.855 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.411 1.657 -14.159 1.00 0.00 O ATOM 559 NE2 GLN E 26 112.115 3.343 -14.705 1.00 0.00 N ATOM 0 H GLN E 26 109.573 3.661 -10.866 1.00 0.00 H new ATOM 0 HA GLN E 26 111.039 1.772 -12.386 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.230 4.322 -12.391 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.043 4.206 -10.843 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.743 4.273 -12.604 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.759 2.678 -11.878 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.687 4.234 -14.454 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.933 2.930 -15.620 1.00 0.00 H new ATOM 568 N LEU E 27 111.725 1.946 -9.146 1.00 0.00 N ATOM 569 CA LEU E 27 112.398 1.220 -8.063 1.00 0.00 C ATOM 570 C LEU E 27 111.868 -0.211 -7.996 1.00 0.00 C ATOM 571 O LEU E 27 112.642 -1.157 -7.850 1.00 0.00 O ATOM 572 CB LEU E 27 112.184 1.919 -6.707 1.00 0.00 C ATOM 573 CG LEU E 27 112.802 3.330 -6.722 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.503 4.054 -5.402 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.329 3.248 -6.903 1.00 0.00 C ATOM 0 H LEU E 27 111.174 2.749 -8.844 1.00 0.00 H new ATOM 0 HA LEU E 27 113.467 1.207 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.118 1.985 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.635 1.327 -5.911 1.00 0.00 H new ATOM 0 HG LEU E 27 112.364 3.881 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU E 27 112.945 5.050 -5.425 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.424 4.139 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU E 27 112.927 3.488 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.749 4.254 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.763 2.680 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.557 2.752 -7.846 1.00 0.00 H new ATOM 587 N CYS E 28 110.546 -0.359 -8.129 1.00 0.00 N ATOM 588 CA CYS E 28 109.919 -1.681 -8.103 1.00 0.00 C ATOM 589 C CYS E 28 110.401 -2.510 -9.296 1.00 0.00 C ATOM 590 O CYS E 28 110.716 -3.695 -9.152 1.00 0.00 O ATOM 591 CB CYS E 28 108.390 -1.544 -8.142 1.00 0.00 C ATOM 592 SG CYS E 28 107.625 -3.097 -7.615 1.00 0.00 S ATOM 0 H CYS E 28 109.895 0.416 -8.255 1.00 0.00 H new ATOM 0 HA CYS E 28 110.202 -2.187 -7.180 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.071 -0.731 -7.490 1.00 0.00 H new ATOM 0 HB3 CYS E 28 108.064 -1.290 -9.151 1.00 0.00 H new ATOM 597 N ALA E 29 110.464 -1.863 -10.469 1.00 0.00 N ATOM 598 CA ALA E 29 110.916 -2.521 -11.699 1.00 0.00 C ATOM 599 C ALA E 29 112.359 -3.000 -11.549 1.00 0.00 C ATOM 600 O ALA E 29 112.694 -4.132 -11.909 1.00 0.00 O ATOM 601 CB ALA E 29 110.837 -1.529 -12.868 1.00 0.00 C ATOM 0 H ALA E 29 110.207 -0.883 -10.590 1.00 0.00 H new ATOM 0 HA ALA E 29 110.273 -3.380 -11.892 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.173 -2.017 -13.783 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.807 -1.194 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.475 -0.670 -12.660 1.00 0.00 H new ATOM 607 N PHE E 30 113.196 -2.116 -11.011 1.00 0.00 N ATOM 608 CA PHE E 30 114.609 -2.412 -10.794 1.00 0.00 C ATOM 609 C PHE E 30 114.776 -3.541 -9.775 1.00 0.00 C ATOM 610 O PHE E 30 115.471 -4.519 -10.034 1.00 0.00 O ATOM 611 CB PHE E 30 115.305 -1.129 -10.302 1.00 0.00 C ATOM 612 CG PHE E 30 116.739 -1.403 -9.889 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.624 -2.036 -10.771 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.182 -1.017 -8.615 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.946 -2.278 -10.380 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.504 -1.259 -8.229 1.00 0.00 C ATOM 617 CZ PHE E 30 119.382 -1.888 -9.110 1.00 0.00 C ATOM 0 H PHE E 30 112.916 -1.181 -10.715 1.00 0.00 H new ATOM 0 HA PHE E 30 115.063 -2.744 -11.728 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.289 -0.378 -11.092 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.754 -0.715 -9.458 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.287 -2.337 -11.752 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.501 -0.532 -7.931 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.629 -2.766 -11.059 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.844 -0.959 -7.249 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.403 -2.075 -8.811 1.00 0.00 H new ATOM 627 N ILE E 31 114.136 -3.376 -8.621 1.00 0.00 N ATOM 628 CA ILE E 31 114.203 -4.355 -7.529 1.00 0.00 C ATOM 629 C ILE E 31 113.711 -5.745 -7.951 1.00 0.00 C ATOM 630 O ILE E 31 114.248 -6.757 -7.486 1.00 0.00 O ATOM 631 CB ILE E 31 113.382 -3.805 -6.344 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.142 -2.629 -5.723 1.00 0.00 C ATOM 633 CG2 ILE E 31 113.156 -4.865 -5.259 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.258 -1.910 -4.707 1.00 0.00 C ATOM 0 H ILE E 31 113.556 -2.563 -8.412 1.00 0.00 H new ATOM 0 HA ILE E 31 115.245 -4.491 -7.238 1.00 0.00 H new ATOM 0 HB ILE E 31 112.409 -3.496 -6.725 1.00 0.00 H new ATOM 0 HG12 ILE E 31 115.049 -2.988 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.452 -1.934 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.574 -4.434 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.615 -5.711 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE E 31 114.118 -5.205 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.808 -1.076 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.364 -1.535 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.970 -2.605 -3.919 1.00 0.00 H new ATOM 646 N HIS E 32 112.698 -5.796 -8.822 1.00 0.00 N ATOM 647 CA HIS E 32 112.158 -7.080 -9.277 1.00 0.00 C ATOM 648 C HIS E 32 113.216 -7.845 -10.071 1.00 0.00 C ATOM 649 O HIS E 32 113.493 -9.018 -9.796 1.00 0.00 O ATOM 650 CB HIS E 32 110.919 -6.831 -10.150 1.00 0.00 C ATOM 651 CG HIS E 32 110.262 -8.138 -10.508 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.249 -8.629 -11.804 1.00 0.00 N ATOM 653 CD2 HIS E 32 109.583 -9.060 -9.750 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.579 -9.797 -11.789 1.00 0.00 C ATOM 655 NE2 HIS E 32 109.152 -10.106 -10.562 1.00 0.00 N ATOM 0 H HIS E 32 112.241 -4.976 -9.221 1.00 0.00 H new ATOM 0 HA HIS E 32 111.875 -7.679 -8.411 1.00 0.00 H new ATOM 0 HB2 HIS E 32 110.212 -6.195 -9.618 1.00 0.00 H new ATOM 0 HB3 HIS E 32 111.206 -6.299 -11.057 1.00 0.00 H new ATOM 0 HD2 HIS E 32 109.410 -8.985 -8.687 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.408 -10.409 -12.662 1.00 0.00 H new ATOM 0 HE2 HIS E 32 108.623 -10.931 -10.280 1.00 0.00 H new ATOM 664 N SER E 33 113.806 -7.155 -11.044 1.00 0.00 N ATOM 665 CA SER E 33 114.847 -7.735 -11.892 1.00 0.00 C ATOM 666 C SER E 33 116.131 -7.984 -11.100 1.00 0.00 C ATOM 667 O SER E 33 116.778 -9.024 -11.252 1.00 0.00 O ATOM 668 CB SER E 33 115.129 -6.773 -13.046 1.00 0.00 C ATOM 669 OG SER E 33 116.047 -7.367 -13.958 1.00 0.00 O ATOM 0 H SER E 33 113.579 -6.186 -11.267 1.00 0.00 H new ATOM 0 HA SER E 33 114.499 -8.695 -12.273 1.00 0.00 H new ATOM 0 HB2 SER E 33 114.200 -6.526 -13.560 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.538 -5.839 -12.661 1.00 0.00 H new ATOM 0 HG SER E 33 115.984 -6.916 -14.826 1.00 0.00 H new ATOM 675 N LEU E 34 116.486 -7.007 -10.268 1.00 0.00 N ATOM 676 CA LEU E 34 117.691 -7.067 -9.437 1.00 0.00 C ATOM 677 C LEU E 34 117.676 -8.314 -8.550 1.00 0.00 C ATOM 678 O LEU E 34 118.716 -8.947 -8.343 1.00 0.00 O ATOM 679 CB LEU E 34 117.751 -5.792 -8.576 1.00 0.00 C ATOM 680 CG LEU E 34 119.096 -5.672 -7.844 1.00 0.00 C ATOM 681 CD1 LEU E 34 120.245 -5.564 -8.868 1.00 0.00 C ATOM 682 CD2 LEU E 34 119.070 -4.417 -6.938 1.00 0.00 C ATOM 0 H LEU E 34 115.947 -6.149 -10.149 1.00 0.00 H new ATOM 0 HA LEU E 34 118.574 -7.127 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.600 -4.917 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.939 -5.804 -7.849 1.00 0.00 H new ATOM 0 HG LEU E 34 119.259 -6.558 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU E 34 121.195 -5.479 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU E 34 120.257 -6.454 -9.497 1.00 0.00 H new ATOM 0 HD13 LEU E 34 120.096 -4.682 -9.491 1.00 0.00 H new ATOM 0 HD21 LEU E 34 120.022 -4.326 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.906 -3.530 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU E 34 118.264 -4.510 -6.210 1.00 0.00 H new ATOM 694 N HIS E 35 116.491 -8.657 -8.036 1.00 0.00 N ATOM 695 CA HIS E 35 116.339 -9.829 -7.172 1.00 0.00 C ATOM 696 C HIS E 35 116.292 -11.130 -7.988 1.00 0.00 C ATOM 697 O HIS E 35 117.033 -12.073 -7.703 1.00 0.00 O ATOM 698 CB HIS E 35 115.054 -9.700 -6.346 1.00 0.00 C ATOM 699 CG HIS E 35 115.021 -10.781 -5.292 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.678 -10.650 -4.079 1.00 0.00 N ATOM 701 CD2 HIS E 35 114.428 -12.021 -5.264 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.469 -11.780 -3.378 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.713 -12.649 -4.056 1.00 0.00 N ATOM 0 H HIS E 35 115.627 -8.141 -8.203 1.00 0.00 H new ATOM 0 HA HIS E 35 117.206 -9.872 -6.512 1.00 0.00 H new ATOM 0 HB2 HIS E 35 115.009 -8.718 -5.876 1.00 0.00 H new ATOM 0 HB3 HIS E 35 114.182 -9.783 -6.995 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.832 -12.443 -6.059 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.864 -11.962 -2.389 1.00 0.00 H new ATOM 0 HE2 HIS E 35 114.410 -13.574 -3.753 1.00 0.00 H new ATOM 712 N ASP E 36 115.390 -11.179 -8.976 1.00 0.00 N ATOM 713 CA ASP E 36 115.218 -12.378 -9.807 1.00 0.00 C ATOM 714 C ASP E 36 116.494 -12.757 -10.564 1.00 0.00 C ATOM 715 O ASP E 36 116.778 -13.945 -10.733 1.00 0.00 O ATOM 716 CB ASP E 36 114.077 -12.167 -10.815 1.00 0.00 C ATOM 717 CG ASP E 36 112.719 -12.017 -10.106 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.509 -12.665 -9.089 1.00 0.00 O ATOM 719 OD2 ASP E 36 111.901 -11.262 -10.603 1.00 0.00 O ATOM 0 H ASP E 36 114.770 -10.406 -9.219 1.00 0.00 H new ATOM 0 HA ASP E 36 114.977 -13.197 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP E 36 114.277 -11.277 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP E 36 114.038 -13.011 -11.504 1.00 0.00 H new ATOM 724 N ASP E 37 117.242 -11.752 -11.034 1.00 0.00 N ATOM 725 CA ASP E 37 118.476 -11.996 -11.795 1.00 0.00 C ATOM 726 C ASP E 37 119.687 -11.352 -11.098 1.00 0.00 C ATOM 727 O ASP E 37 120.142 -10.273 -11.498 1.00 0.00 O ATOM 728 CB ASP E 37 118.317 -11.439 -13.223 1.00 0.00 C ATOM 729 CG ASP E 37 117.503 -12.411 -14.082 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.354 -12.654 -13.743 1.00 0.00 O ATOM 731 OD2 ASP E 37 118.039 -12.900 -15.065 1.00 0.00 O ATOM 0 H ASP E 37 117.017 -10.766 -10.902 1.00 0.00 H new ATOM 0 HA ASP E 37 118.653 -13.070 -11.845 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.821 -10.469 -13.190 1.00 0.00 H new ATOM 0 HB3 ASP E 37 119.298 -11.280 -13.671 1.00 0.00 H new ATOM 736 N PRO E 38 120.217 -11.991 -10.069 1.00 0.00 N ATOM 737 CA PRO E 38 121.398 -11.463 -9.319 1.00 0.00 C ATOM 738 C PRO E 38 122.684 -11.541 -10.147 1.00 0.00 C ATOM 739 O PRO E 38 123.623 -10.780 -9.916 1.00 0.00 O ATOM 740 CB PRO E 38 121.475 -12.348 -8.073 1.00 0.00 C ATOM 741 CG PRO E 38 120.808 -13.629 -8.453 1.00 0.00 C ATOM 742 CD PRO E 38 119.758 -13.281 -9.513 1.00 0.00 C ATOM 0 HA PRO E 38 121.290 -10.406 -9.074 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.510 -12.517 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.972 -11.879 -7.227 1.00 0.00 H new ATOM 0 HG2 PRO E 38 121.533 -14.341 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO E 38 120.342 -14.095 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.701 -14.049 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.764 -13.195 -9.075 1.00 0.00 H new ATOM 750 N SER E 39 122.712 -12.459 -11.119 1.00 0.00 N ATOM 751 CA SER E 39 123.880 -12.615 -11.989 1.00 0.00 C ATOM 752 C SER E 39 124.121 -11.322 -12.773 1.00 0.00 C ATOM 753 O SER E 39 125.266 -10.935 -13.019 1.00 0.00 O ATOM 754 CB SER E 39 123.660 -13.780 -12.962 1.00 0.00 C ATOM 755 OG SER E 39 123.347 -14.958 -12.227 1.00 0.00 O ATOM 0 H SER E 39 121.945 -13.100 -11.321 1.00 0.00 H new ATOM 0 HA SER E 39 124.754 -12.828 -11.373 1.00 0.00 H new ATOM 0 HB2 SER E 39 122.851 -13.543 -13.653 1.00 0.00 H new ATOM 0 HB3 SER E 39 124.555 -13.940 -13.563 1.00 0.00 H new ATOM 0 HG SER E 39 123.204 -15.703 -12.848 1.00 0.00 H new ATOM 761 N GLN E 40 123.018 -10.666 -13.147 1.00 0.00 N ATOM 762 CA GLN E 40 123.062 -9.405 -13.900 1.00 0.00 C ATOM 763 C GLN E 40 123.005 -8.203 -12.954 1.00 0.00 C ATOM 764 O GLN E 40 122.683 -7.094 -13.378 1.00 0.00 O ATOM 765 CB GLN E 40 121.860 -9.333 -14.848 1.00 0.00 C ATOM 766 CG GLN E 40 121.881 -10.506 -15.834 1.00 0.00 C ATOM 767 CD GLN E 40 120.732 -10.372 -16.831 1.00 0.00 C ATOM 768 OE1 GLN E 40 120.848 -9.651 -17.822 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.619 -11.024 -16.626 1.00 0.00 N ATOM 0 H GLN E 40 122.074 -10.990 -12.939 1.00 0.00 H new ATOM 0 HA GLN E 40 123.996 -9.377 -14.461 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.934 -9.351 -14.273 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.877 -8.390 -15.395 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.833 -10.529 -16.365 1.00 0.00 H new ATOM 0 HG3 GLN E 40 121.795 -11.448 -15.293 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.522 -11.622 -15.805 1.00 0.00 H new ATOM 0 HE22 GLN E 40 118.847 -10.936 -17.287 1.00 0.00 H new ATOM 778 N SER E 41 123.292 -8.436 -11.674 1.00 0.00 N ATOM 779 CA SER E 41 123.245 -7.380 -10.656 1.00 0.00 C ATOM 780 C SER E 41 123.956 -6.101 -11.102 1.00 0.00 C ATOM 781 O SER E 41 123.386 -5.008 -11.019 1.00 0.00 O ATOM 782 CB SER E 41 123.910 -7.897 -9.384 1.00 0.00 C ATOM 783 OG SER E 41 122.935 -8.514 -8.552 1.00 0.00 O ATOM 0 H SER E 41 123.561 -9.351 -11.313 1.00 0.00 H new ATOM 0 HA SER E 41 122.198 -7.130 -10.486 1.00 0.00 H new ATOM 0 HB2 SER E 41 124.693 -8.612 -9.636 1.00 0.00 H new ATOM 0 HB3 SER E 41 124.389 -7.075 -8.852 1.00 0.00 H new ATOM 0 HG SER E 41 123.377 -8.931 -7.783 1.00 0.00 H new ATOM 789 N ALA E 42 125.197 -6.243 -11.562 1.00 0.00 N ATOM 790 CA ALA E 42 125.981 -5.091 -12.004 1.00 0.00 C ATOM 791 C ALA E 42 125.365 -4.437 -13.240 1.00 0.00 C ATOM 792 O ALA E 42 125.244 -3.211 -13.298 1.00 0.00 O ATOM 793 CB ALA E 42 127.411 -5.527 -12.318 1.00 0.00 C ATOM 0 H ALA E 42 125.680 -7.138 -11.638 1.00 0.00 H new ATOM 0 HA ALA E 42 125.985 -4.359 -11.196 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.990 -4.664 -12.647 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.867 -5.951 -11.423 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.397 -6.278 -13.108 1.00 0.00 H new ATOM 799 N ASN E 43 124.996 -5.259 -14.227 1.00 0.00 N ATOM 800 CA ASN E 43 124.412 -4.748 -15.469 1.00 0.00 C ATOM 801 C ASN E 43 123.098 -4.017 -15.209 1.00 0.00 C ATOM 802 O ASN E 43 122.929 -2.880 -15.645 1.00 0.00 O ATOM 803 CB ASN E 43 124.170 -5.899 -16.450 1.00 0.00 C ATOM 804 CG ASN E 43 125.503 -6.479 -16.913 1.00 0.00 C ATOM 805 OD1 ASN E 43 125.794 -7.649 -16.669 1.00 0.00 O ATOM 806 ND2 ASN E 43 126.333 -5.722 -17.575 1.00 0.00 N ATOM 0 H ASN E 43 125.091 -6.274 -14.190 1.00 0.00 H new ATOM 0 HA ASN E 43 125.119 -4.039 -15.900 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.573 -6.675 -15.972 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.601 -5.542 -17.309 1.00 0.00 H new ATOM 0 HD21 ASN E 43 127.226 -6.100 -17.892 1.00 0.00 H new ATOM 0 HD22 ASN E 43 126.089 -4.752 -17.776 1.00 0.00 H new ATOM 813 N LEU E 44 122.177 -4.679 -14.498 1.00 0.00 N ATOM 814 CA LEU E 44 120.868 -4.092 -14.181 1.00 0.00 C ATOM 815 C LEU E 44 121.033 -2.787 -13.413 1.00 0.00 C ATOM 816 O LEU E 44 120.411 -1.771 -13.745 1.00 0.00 O ATOM 817 CB LEU E 44 120.044 -5.074 -13.337 1.00 0.00 C ATOM 818 CG LEU E 44 119.720 -6.338 -14.151 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.155 -7.415 -13.218 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.685 -6.004 -15.239 1.00 0.00 C ATOM 0 H LEU E 44 122.313 -5.621 -14.131 1.00 0.00 H new ATOM 0 HA LEU E 44 120.351 -3.888 -15.119 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.598 -5.345 -12.438 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.120 -4.597 -13.011 1.00 0.00 H new ATOM 0 HG LEU E 44 120.631 -6.707 -14.623 1.00 0.00 H new ATOM 0 HD11 LEU E 44 118.925 -8.311 -13.794 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.892 -7.655 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.246 -7.045 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.458 -6.902 -15.813 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.773 -5.632 -14.772 1.00 0.00 H new ATOM 0 HD23 LEU E 44 119.089 -5.241 -15.904 1.00 0.00 H new ATOM 832 N LEU E 45 121.886 -2.822 -12.391 1.00 0.00 N ATOM 833 CA LEU E 45 122.147 -1.640 -11.584 1.00 0.00 C ATOM 834 C LEU E 45 122.778 -0.549 -12.438 1.00 0.00 C ATOM 835 O LEU E 45 122.483 0.631 -12.248 1.00 0.00 O ATOM 836 CB LEU E 45 123.043 -2.003 -10.398 1.00 0.00 C ATOM 837 CG LEU E 45 123.499 -0.739 -9.645 1.00 0.00 C ATOM 838 CD1 LEU E 45 122.296 0.158 -9.251 1.00 0.00 C ATOM 839 CD2 LEU E 45 124.269 -1.167 -8.387 1.00 0.00 C ATOM 0 H LEU E 45 122.404 -3.653 -12.106 1.00 0.00 H new ATOM 0 HA LEU E 45 121.204 -1.257 -11.193 1.00 0.00 H new ATOM 0 HB2 LEU E 45 122.503 -2.661 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU E 45 123.914 -2.555 -10.751 1.00 0.00 H new ATOM 0 HG LEU E 45 124.141 -0.152 -10.303 1.00 0.00 H new ATOM 0 HD11 LEU E 45 122.657 1.040 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU E 45 121.763 0.468 -10.150 1.00 0.00 H new ATOM 0 HD13 LEU E 45 121.621 -0.402 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU E 45 124.598 -0.282 -7.843 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.619 -1.764 -7.748 1.00 0.00 H new ATOM 0 HD23 LEU E 45 125.137 -1.759 -8.676 1.00 0.00 H new ATOM 851 N ALA E 46 123.625 -0.939 -13.396 1.00 0.00 N ATOM 852 CA ALA E 46 124.250 0.043 -14.278 1.00 0.00 C ATOM 853 C ALA E 46 123.152 0.853 -14.963 1.00 0.00 C ATOM 854 O ALA E 46 123.274 2.064 -15.135 1.00 0.00 O ATOM 855 CB ALA E 46 125.117 -0.656 -15.335 1.00 0.00 C ATOM 0 H ALA E 46 123.888 -1.908 -13.576 1.00 0.00 H new ATOM 0 HA ALA E 46 124.891 0.700 -13.691 1.00 0.00 H new ATOM 0 HB1 ALA E 46 125.574 0.092 -15.983 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.898 -1.234 -14.841 1.00 0.00 H new ATOM 0 HB3 ALA E 46 124.495 -1.322 -15.933 1.00 0.00 H new ATOM 861 N GLU E 47 122.064 0.158 -15.315 1.00 0.00 N ATOM 862 CA GLU E 47 120.912 0.794 -15.955 1.00 0.00 C ATOM 863 C GLU E 47 120.184 1.675 -14.965 1.00 0.00 C ATOM 864 O GLU E 47 119.707 2.752 -15.321 1.00 0.00 O ATOM 865 CB GLU E 47 119.912 -0.253 -16.451 1.00 0.00 C ATOM 866 CG GLU E 47 120.652 -1.470 -16.974 1.00 0.00 C ATOM 867 CD GLU E 47 119.742 -2.309 -17.874 1.00 0.00 C ATOM 868 OE1 GLU E 47 118.861 -2.967 -17.344 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.938 -2.279 -19.079 1.00 0.00 O ATOM 0 H GLU E 47 121.959 -0.846 -15.166 1.00 0.00 H new ATOM 0 HA GLU E 47 121.291 1.379 -16.793 1.00 0.00 H new ATOM 0 HB2 GLU E 47 119.245 -0.544 -15.640 1.00 0.00 H new ATOM 0 HB3 GLU E 47 119.290 0.171 -17.239 1.00 0.00 H new ATOM 0 HG2 GLU E 47 121.533 -1.154 -17.532 1.00 0.00 H new ATOM 0 HG3 GLU E 47 121.004 -2.075 -16.138 1.00 0.00 H new ATOM 876 N ALA E 48 120.090 1.202 -13.718 1.00 0.00 N ATOM 877 CA ALA E 48 119.403 1.957 -12.694 1.00 0.00 C ATOM 878 C ALA E 48 120.198 3.213 -12.390 1.00 0.00 C ATOM 879 O ALA E 48 119.629 4.255 -12.068 1.00 0.00 O ATOM 880 CB ALA E 48 119.182 1.129 -11.434 1.00 0.00 C ATOM 0 H ALA E 48 120.479 0.312 -13.407 1.00 0.00 H new ATOM 0 HA ALA E 48 118.415 2.232 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.663 1.732 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.580 0.253 -11.675 1.00 0.00 H new ATOM 0 HB3 ALA E 48 120.145 0.809 -11.035 1.00 0.00 H new ATOM 886 N LYS E 49 121.525 3.107 -12.529 1.00 0.00 N ATOM 887 CA LYS E 49 122.387 4.250 -12.307 1.00 0.00 C ATOM 888 C LYS E 49 122.138 5.250 -13.432 1.00 0.00 C ATOM 889 O LYS E 49 122.011 6.451 -13.191 1.00 0.00 O ATOM 890 CB LYS E 49 123.866 3.834 -12.251 1.00 0.00 C ATOM 891 CG LYS E 49 124.479 4.243 -10.895 1.00 0.00 C ATOM 892 CD LYS E 49 124.135 3.195 -9.831 1.00 0.00 C ATOM 893 CE LYS E 49 125.189 2.082 -9.815 1.00 0.00 C ATOM 894 NZ LYS E 49 126.526 2.642 -9.446 1.00 0.00 N ATOM 0 H LYS E 49 122.010 2.249 -12.791 1.00 0.00 H new ATOM 0 HA LYS E 49 122.157 4.706 -11.344 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.955 2.756 -12.389 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.416 4.306 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS E 49 125.561 4.338 -10.989 1.00 0.00 H new ATOM 0 HG3 LYS E 49 124.099 5.219 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS E 49 124.081 3.668 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS E 49 123.152 2.770 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.901 1.309 -9.103 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.243 1.608 -10.795 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 126.995 2.004 -8.772 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.112 2.734 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.402 3.577 -9.009 1.00 0.00 H new ATOM 908 N LYS E 50 122.002 4.729 -14.665 1.00 0.00 N ATOM 909 CA LYS E 50 121.681 5.578 -15.814 1.00 0.00 C ATOM 910 C LYS E 50 120.316 6.210 -15.556 1.00 0.00 C ATOM 911 O LYS E 50 120.082 7.371 -15.884 1.00 0.00 O ATOM 912 CB LYS E 50 121.634 4.756 -17.113 1.00 0.00 C ATOM 913 CG LYS E 50 123.041 4.281 -17.502 1.00 0.00 C ATOM 914 CD LYS E 50 122.964 3.467 -18.805 1.00 0.00 C ATOM 915 CE LYS E 50 124.259 2.671 -19.009 1.00 0.00 C ATOM 916 NZ LYS E 50 125.402 3.609 -19.204 1.00 0.00 N ATOM 0 H LYS E 50 122.109 3.739 -14.884 1.00 0.00 H new ATOM 0 HA LYS E 50 122.450 6.341 -15.933 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.977 3.896 -16.982 1.00 0.00 H new ATOM 0 HB3 LYS E 50 121.213 5.360 -17.917 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.702 5.137 -17.634 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.464 3.671 -16.704 1.00 0.00 H new ATOM 0 HD2 LYS E 50 122.113 2.787 -18.768 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.802 4.135 -19.651 1.00 0.00 H new ATOM 0 HE2 LYS E 50 124.444 2.032 -18.145 1.00 0.00 H new ATOM 0 HE3 LYS E 50 124.162 2.016 -19.875 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 126.250 3.071 -19.476 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 125.168 4.290 -19.955 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 125.586 4.121 -18.318 1.00 0.00 H new ATOM 930 N LEU E 51 119.442 5.419 -14.921 1.00 0.00 N ATOM 931 CA LEU E 51 118.100 5.860 -14.550 1.00 0.00 C ATOM 932 C LEU E 51 118.211 6.984 -13.523 1.00 0.00 C ATOM 933 O LEU E 51 117.461 7.962 -13.571 1.00 0.00 O ATOM 934 CB LEU E 51 117.345 4.677 -13.925 1.00 0.00 C ATOM 935 CG LEU E 51 116.052 4.340 -14.677 1.00 0.00 C ATOM 936 CD1 LEU E 51 115.067 5.520 -14.625 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.363 3.968 -16.138 1.00 0.00 C ATOM 0 H LEU E 51 119.649 4.457 -14.652 1.00 0.00 H new ATOM 0 HA LEU E 51 117.567 6.218 -15.431 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.994 3.801 -13.915 1.00 0.00 H new ATOM 0 HB3 LEU E 51 117.107 4.910 -12.887 1.00 0.00 H new ATOM 0 HG LEU E 51 115.587 3.484 -14.189 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.157 5.258 -15.165 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.821 5.743 -13.587 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.524 6.396 -15.086 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.435 3.731 -16.659 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.852 4.808 -16.631 1.00 0.00 H new ATOM 0 HD23 LEU E 51 117.023 3.101 -16.160 1.00 0.00 H new ATOM 949 N ASN E 52 119.174 6.825 -12.597 1.00 0.00 N ATOM 950 CA ASN E 52 119.418 7.818 -11.550 1.00 0.00 C ATOM 951 C ASN E 52 119.694 9.171 -12.202 1.00 0.00 C ATOM 952 O ASN E 52 119.201 10.205 -11.748 1.00 0.00 O ATOM 953 CB ASN E 52 120.614 7.383 -10.670 1.00 0.00 C ATOM 954 CG ASN E 52 120.692 8.251 -9.411 1.00 0.00 C ATOM 955 OD1 ASN E 52 119.683 8.484 -8.745 1.00 0.00 O ATOM 956 ND2 ASN E 52 121.841 8.747 -9.042 1.00 0.00 N ATOM 0 H ASN E 52 119.793 6.015 -12.558 1.00 0.00 H new ATOM 0 HA ASN E 52 118.540 7.900 -10.910 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.506 6.335 -10.391 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.541 7.469 -11.237 1.00 0.00 H new ATOM 0 HD21 ASN E 52 121.901 9.326 -8.204 1.00 0.00 H new ATOM 0 HD22 ASN E 52 122.679 8.556 -9.591 1.00 0.00 H new ATOM 963 N ASP E 53 120.453 9.128 -13.300 1.00 0.00 N ATOM 964 CA ASP E 53 120.774 10.326 -14.072 1.00 0.00 C ATOM 965 C ASP E 53 119.604 10.694 -14.995 1.00 0.00 C ATOM 966 O ASP E 53 119.386 11.867 -15.307 1.00 0.00 O ATOM 967 CB ASP E 53 122.037 10.080 -14.909 1.00 0.00 C ATOM 968 CG ASP E 53 122.460 11.369 -15.617 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.136 12.171 -14.992 1.00 0.00 O ATOM 970 OD2 ASP E 53 122.100 11.537 -16.772 1.00 0.00 O ATOM 0 H ASP E 53 120.858 8.270 -13.674 1.00 0.00 H new ATOM 0 HA ASP E 53 120.951 11.152 -13.383 1.00 0.00 H new ATOM 0 HB2 ASP E 53 122.844 9.727 -14.267 1.00 0.00 H new ATOM 0 HB3 ASP E 53 121.848 9.298 -15.644 1.00 0.00 H new ATOM 975 N ALA E 54 118.874 9.665 -15.444 1.00 0.00 N ATOM 976 CA ALA E 54 117.734 9.846 -16.352 1.00 0.00 C ATOM 977 C ALA E 54 116.594 10.620 -15.691 1.00 0.00 C ATOM 978 O ALA E 54 115.799 11.264 -16.381 1.00 0.00 O ATOM 979 CB ALA E 54 117.206 8.477 -16.812 1.00 0.00 C ATOM 0 H ALA E 54 119.054 8.693 -15.191 1.00 0.00 H new ATOM 0 HA ALA E 54 118.090 10.422 -17.206 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.361 8.620 -17.485 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.997 7.938 -17.333 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.885 7.901 -15.944 1.00 0.00 H new ATOM 985 N GLN E 55 116.512 10.542 -14.357 1.00 0.00 N ATOM 986 CA GLN E 55 115.453 11.227 -13.604 1.00 0.00 C ATOM 987 C GLN E 55 116.053 12.212 -12.605 1.00 0.00 C ATOM 988 O GLN E 55 115.331 12.861 -11.844 1.00 0.00 O ATOM 989 CB GLN E 55 114.569 10.196 -12.886 1.00 0.00 C ATOM 990 CG GLN E 55 113.979 9.228 -13.931 1.00 0.00 C ATOM 991 CD GLN E 55 112.877 8.341 -13.334 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.342 7.477 -14.028 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.492 8.503 -12.098 1.00 0.00 N ATOM 0 H GLN E 55 117.164 10.013 -13.778 1.00 0.00 H new ATOM 0 HA GLN E 55 114.835 11.791 -14.303 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.155 9.645 -12.150 1.00 0.00 H new ATOM 0 HB3 GLN E 55 113.768 10.699 -12.344 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.573 9.799 -14.766 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.774 8.599 -14.332 1.00 0.00 H new ATOM 0 HE21 GLN E 55 112.931 9.217 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.752 7.916 -11.713 1.00 0.00 H new ATOM 1002 N ALA E 56 117.385 12.304 -12.627 1.00 0.00 N ATOM 1003 CA ALA E 56 118.140 13.178 -11.750 1.00 0.00 C ATOM 1004 C ALA E 56 117.556 14.591 -11.708 1.00 0.00 C ATOM 1005 O ALA E 56 116.958 15.061 -12.680 1.00 0.00 O ATOM 1006 CB ALA E 56 119.595 13.225 -12.222 1.00 0.00 C ATOM 0 H ALA E 56 117.969 11.764 -13.265 1.00 0.00 H new ATOM 0 HA ALA E 56 118.085 12.776 -10.738 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.169 13.881 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.019 12.221 -12.193 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.634 13.607 -13.242 1.00 0.00 H new ATOM 1013 N GLY F 14 120.287 10.601 8.918 1.00 0.00 N ATOM 1014 CA GLY F 14 119.389 10.131 9.973 1.00 0.00 C ATOM 1015 C GLY F 14 119.501 8.627 10.161 1.00 0.00 C ATOM 1016 O GLY F 14 120.475 8.005 9.723 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.628 10.636 10.909 1.00 0.00 H new ATOM 0 HA3 GLY F 14 118.361 10.393 9.723 1.00 0.00 H new ATOM 1020 N GLU F 15 118.493 8.053 10.813 1.00 0.00 N ATOM 1021 CA GLU F 15 118.464 6.624 11.062 1.00 0.00 C ATOM 1022 C GLU F 15 118.374 5.878 9.746 1.00 0.00 C ATOM 1023 O GLU F 15 117.708 6.329 8.813 1.00 0.00 O ATOM 1024 CB GLU F 15 117.253 6.258 11.915 1.00 0.00 C ATOM 1025 CG GLU F 15 117.428 4.837 12.468 1.00 0.00 C ATOM 1026 CD GLU F 15 116.208 4.380 13.293 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.399 5.217 13.674 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.104 3.188 13.533 1.00 0.00 O ATOM 0 H GLU F 15 117.687 8.561 11.177 1.00 0.00 H new ATOM 0 HA GLU F 15 119.377 6.347 11.589 1.00 0.00 H new ATOM 0 HB2 GLU F 15 117.144 6.968 12.735 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.343 6.318 11.318 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.586 4.144 11.642 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.321 4.799 13.091 1.00 0.00 H new ATOM 1035 N ILE F 16 119.040 4.735 9.686 1.00 0.00 N ATOM 1036 CA ILE F 16 119.039 3.912 8.488 1.00 0.00 C ATOM 1037 C ILE F 16 118.421 2.544 8.777 1.00 0.00 C ATOM 1038 O ILE F 16 118.557 2.005 9.880 1.00 0.00 O ATOM 1039 CB ILE F 16 120.469 3.756 7.976 1.00 0.00 C ATOM 1040 CG1 ILE F 16 121.031 5.132 7.560 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.479 2.803 6.773 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.512 5.004 7.179 1.00 0.00 C ATOM 0 H ILE F 16 119.590 4.356 10.457 1.00 0.00 H new ATOM 0 HA ILE F 16 118.436 4.399 7.721 1.00 0.00 H new ATOM 0 HB ILE F 16 121.094 3.344 8.769 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.463 5.525 6.717 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.918 5.842 8.379 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.499 2.691 6.406 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.093 1.830 7.077 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.852 3.211 5.981 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.898 5.981 6.887 1.00 0.00 H new ATOM 0 HD12 ILE F 16 123.077 4.631 8.034 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.614 4.309 6.345 1.00 0.00 H new ATOM 1054 N VAL F 17 117.728 2.011 7.771 1.00 0.00 N ATOM 1055 CA VAL F 17 117.050 0.720 7.879 1.00 0.00 C ATOM 1056 C VAL F 17 117.380 -0.163 6.674 1.00 0.00 C ATOM 1057 O VAL F 17 117.094 0.211 5.538 1.00 0.00 O ATOM 1058 CB VAL F 17 115.542 0.996 7.943 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.730 -0.295 7.757 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.202 1.631 9.300 1.00 0.00 C ATOM 0 H VAL F 17 117.621 2.460 6.862 1.00 0.00 H new ATOM 0 HA VAL F 17 117.381 0.191 8.773 1.00 0.00 H new ATOM 0 HB VAL F 17 115.280 1.678 7.134 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.666 -0.066 7.807 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.961 -0.734 6.786 1.00 0.00 H new ATOM 0 HG13 VAL F 17 114.986 -1.003 8.545 1.00 0.00 H new ATOM 0 HG21 VAL F 17 114.131 1.829 9.351 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.483 0.948 10.102 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.750 2.567 9.411 1.00 0.00 H new ATOM 1070 N TYR F 18 117.969 -1.338 6.938 1.00 0.00 N ATOM 1071 CA TYR F 18 118.337 -2.285 5.876 1.00 0.00 C ATOM 1072 C TYR F 18 117.308 -3.401 5.752 1.00 0.00 C ATOM 1073 O TYR F 18 116.834 -3.936 6.759 1.00 0.00 O ATOM 1074 CB TYR F 18 119.732 -2.882 6.171 1.00 0.00 C ATOM 1075 CG TYR F 18 120.800 -2.054 5.476 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.858 -0.671 5.683 1.00 0.00 C ATOM 1077 CD2 TYR F 18 121.711 -2.665 4.603 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.813 0.097 5.021 1.00 0.00 C ATOM 1079 CE2 TYR F 18 122.674 -1.892 3.946 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.723 -0.511 4.153 1.00 0.00 C ATOM 1081 OH TYR F 18 123.668 0.253 3.498 1.00 0.00 O ATOM 0 H TYR F 18 118.201 -1.656 7.879 1.00 0.00 H new ATOM 0 HA TYR F 18 118.364 -1.745 4.929 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.912 -2.897 7.246 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.777 -3.915 5.826 1.00 0.00 H new ATOM 0 HD1 TYR F 18 120.160 -0.198 6.358 1.00 0.00 H new ATOM 0 HD2 TYR F 18 121.669 -3.731 4.438 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.850 1.165 5.179 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.380 -2.363 3.278 1.00 0.00 H new ATOM 0 HH TYR F 18 123.287 0.601 2.665 1.00 0.00 H new ATOM 1091 N LEU F 19 116.970 -3.739 4.497 1.00 0.00 N ATOM 1092 CA LEU F 19 115.986 -4.795 4.212 1.00 0.00 C ATOM 1093 C LEU F 19 116.623 -5.951 3.405 1.00 0.00 C ATOM 1094 O LEU F 19 116.361 -6.094 2.204 1.00 0.00 O ATOM 1095 CB LEU F 19 114.797 -4.215 3.405 1.00 0.00 C ATOM 1096 CG LEU F 19 113.889 -3.276 4.240 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.593 -3.849 5.639 1.00 0.00 C ATOM 1098 CD2 LEU F 19 114.531 -1.889 4.362 1.00 0.00 C ATOM 0 H LEU F 19 117.363 -3.297 3.666 1.00 0.00 H new ATOM 0 HA LEU F 19 115.633 -5.183 5.168 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.183 -3.666 2.546 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.197 -5.037 3.015 1.00 0.00 H new ATOM 0 HG LEU F 19 112.938 -3.191 3.714 1.00 0.00 H new ATOM 0 HD11 LEU F 19 112.954 -3.157 6.188 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.087 -4.809 5.539 1.00 0.00 H new ATOM 0 HD13 LEU F 19 114.528 -3.986 6.181 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.884 -1.239 4.951 1.00 0.00 H new ATOM 0 HD22 LEU F 19 115.500 -1.978 4.854 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.667 -1.462 3.368 1.00 0.00 H new ATOM 1110 N PRO F 20 117.435 -6.789 4.034 1.00 0.00 N ATOM 1111 CA PRO F 20 118.079 -7.954 3.354 1.00 0.00 C ATOM 1112 C PRO F 20 117.137 -9.164 3.288 1.00 0.00 C ATOM 1113 O PRO F 20 116.791 -9.633 2.200 1.00 0.00 O ATOM 1114 CB PRO F 20 119.304 -8.240 4.228 1.00 0.00 C ATOM 1115 CG PRO F 20 118.929 -7.787 5.604 1.00 0.00 C ATOM 1116 CD PRO F 20 117.834 -6.721 5.452 1.00 0.00 C ATOM 0 HA PRO F 20 118.338 -7.747 2.316 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.553 -9.301 4.219 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.180 -7.703 3.863 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.569 -8.626 6.200 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.795 -7.377 6.123 1.00 0.00 H new ATOM 0 HD2 PRO F 20 116.990 -6.925 6.111 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.208 -5.730 5.710 1.00 0.00 H new ATOM 1124 N ASN F 21 116.727 -9.653 4.464 1.00 0.00 N ATOM 1125 CA ASN F 21 115.820 -10.804 4.561 1.00 0.00 C ATOM 1126 C ASN F 21 114.478 -10.507 3.882 1.00 0.00 C ATOM 1127 O ASN F 21 113.788 -11.426 3.433 1.00 0.00 O ATOM 1128 CB ASN F 21 115.585 -11.163 6.038 1.00 0.00 C ATOM 1129 CG ASN F 21 116.885 -11.632 6.703 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.825 -12.056 6.026 1.00 0.00 O ATOM 1131 ND2 ASN F 21 116.994 -11.584 8.003 1.00 0.00 N ATOM 0 H ASN F 21 117.010 -9.268 5.365 1.00 0.00 H new ATOM 0 HA ASN F 21 116.285 -11.647 4.050 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.193 -10.295 6.569 1.00 0.00 H new ATOM 0 HB3 ASN F 21 114.832 -11.948 6.110 1.00 0.00 H new ATOM 0 HD21 ASN F 21 117.854 -11.896 8.455 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.220 -11.234 8.567 1.00 0.00 H new ATOM 1138 N LEU F 22 114.120 -9.218 3.823 1.00 0.00 N ATOM 1139 CA LEU F 22 112.862 -8.775 3.209 1.00 0.00 C ATOM 1140 C LEU F 22 112.767 -9.259 1.757 1.00 0.00 C ATOM 1141 O LEU F 22 113.788 -9.366 1.069 1.00 0.00 O ATOM 1142 CB LEU F 22 112.812 -7.237 3.246 1.00 0.00 C ATOM 1143 CG LEU F 22 111.368 -6.724 3.460 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.169 -6.286 4.927 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.120 -5.529 2.520 1.00 0.00 C ATOM 0 H LEU F 22 114.689 -8.458 4.196 1.00 0.00 H new ATOM 0 HA LEU F 22 112.023 -9.195 3.764 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.453 -6.870 4.048 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.208 -6.836 2.313 1.00 0.00 H new ATOM 0 HG LEU F 22 110.661 -7.524 3.238 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.149 -5.927 5.064 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.347 -7.135 5.587 1.00 0.00 H new ATOM 0 HD13 LEU F 22 111.870 -5.487 5.166 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.105 -5.159 2.662 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.831 -4.734 2.746 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.249 -5.847 1.485 1.00 0.00 H new ATOM 1157 N ASN F 23 111.541 -9.538 1.294 1.00 0.00 N ATOM 1158 CA ASN F 23 111.333 -9.999 -0.085 1.00 0.00 C ATOM 1159 C ASN F 23 111.106 -8.791 -0.999 1.00 0.00 C ATOM 1160 O ASN F 23 110.641 -7.745 -0.534 1.00 0.00 O ATOM 1161 CB ASN F 23 110.139 -10.969 -0.159 1.00 0.00 C ATOM 1162 CG ASN F 23 108.927 -10.403 0.574 1.00 0.00 C ATOM 1163 OD1 ASN F 23 108.023 -9.853 -0.052 1.00 0.00 O ATOM 1164 ND2 ASN F 23 108.848 -10.514 1.871 1.00 0.00 N ATOM 0 H ASN F 23 110.688 -9.454 1.847 1.00 0.00 H new ATOM 0 HA ASN F 23 112.221 -10.536 -0.419 1.00 0.00 H new ATOM 0 HB2 ASN F 23 109.883 -11.157 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN F 23 110.417 -11.928 0.278 1.00 0.00 H new ATOM 0 HD21 ASN F 23 108.036 -10.145 2.366 1.00 0.00 H new ATOM 0 HD22 ASN F 23 109.598 -10.970 2.390 1.00 0.00 H new ATOM 1171 N PRO F 24 111.437 -8.892 -2.276 1.00 0.00 N ATOM 1172 CA PRO F 24 111.270 -7.751 -3.229 1.00 0.00 C ATOM 1173 C PRO F 24 109.824 -7.280 -3.306 1.00 0.00 C ATOM 1174 O PRO F 24 109.566 -6.081 -3.450 1.00 0.00 O ATOM 1175 CB PRO F 24 111.757 -8.303 -4.577 1.00 0.00 C ATOM 1176 CG PRO F 24 111.724 -9.789 -4.432 1.00 0.00 C ATOM 1177 CD PRO F 24 111.991 -10.078 -2.955 1.00 0.00 C ATOM 0 HA PRO F 24 111.833 -6.872 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO F 24 111.113 -7.973 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.764 -7.953 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.757 -10.189 -4.739 1.00 0.00 H new ATOM 0 HG3 PRO F 24 112.478 -10.259 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO F 24 111.500 -10.995 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO F 24 113.056 -10.197 -2.754 1.00 0.00 H new ATOM 1185 N ASP F 25 108.884 -8.223 -3.178 1.00 0.00 N ATOM 1186 CA ASP F 25 107.463 -7.876 -3.199 1.00 0.00 C ATOM 1187 C ASP F 25 107.177 -6.922 -2.040 1.00 0.00 C ATOM 1188 O ASP F 25 106.437 -5.945 -2.190 1.00 0.00 O ATOM 1189 CB ASP F 25 106.596 -9.139 -3.074 1.00 0.00 C ATOM 1190 CG ASP F 25 106.825 -10.064 -4.274 1.00 0.00 C ATOM 1191 OD1 ASP F 25 106.477 -9.671 -5.377 1.00 0.00 O ATOM 1192 OD2 ASP F 25 107.340 -11.154 -4.073 1.00 0.00 O ATOM 0 H ASP F 25 109.079 -9.217 -3.061 1.00 0.00 H new ATOM 0 HA ASP F 25 107.219 -7.394 -4.146 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.838 -9.664 -2.150 1.00 0.00 H new ATOM 0 HB3 ASP F 25 105.544 -8.861 -3.016 1.00 0.00 H new ATOM 1197 N GLN F 26 107.809 -7.205 -0.892 1.00 0.00 N ATOM 1198 CA GLN F 26 107.666 -6.368 0.286 1.00 0.00 C ATOM 1199 C GLN F 26 108.360 -5.020 0.057 1.00 0.00 C ATOM 1200 O GLN F 26 107.830 -3.977 0.444 1.00 0.00 O ATOM 1201 CB GLN F 26 108.253 -7.071 1.511 1.00 0.00 C ATOM 1202 CG GLN F 26 107.902 -6.281 2.776 1.00 0.00 C ATOM 1203 CD GLN F 26 106.429 -6.478 3.133 1.00 0.00 C ATOM 1204 OE1 GLN F 26 105.997 -7.599 3.402 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.626 -5.448 3.151 1.00 0.00 N ATOM 0 H GLN F 26 108.422 -8.010 -0.764 1.00 0.00 H new ATOM 0 HA GLN F 26 106.606 -6.190 0.467 1.00 0.00 H new ATOM 0 HB2 GLN F 26 107.861 -8.085 1.583 1.00 0.00 H new ATOM 0 HB3 GLN F 26 109.335 -7.154 1.411 1.00 0.00 H new ATOM 0 HG2 GLN F 26 108.531 -6.609 3.604 1.00 0.00 H new ATOM 0 HG3 GLN F 26 108.107 -5.222 2.620 1.00 0.00 H new ATOM 0 HE21 GLN F 26 105.983 -4.519 2.928 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.642 -5.573 3.388 1.00 0.00 H new ATOM 1214 N LEU F 27 109.543 -5.050 -0.592 1.00 0.00 N ATOM 1215 CA LEU F 27 110.290 -3.814 -0.888 1.00 0.00 C ATOM 1216 C LEU F 27 109.438 -2.881 -1.749 1.00 0.00 C ATOM 1217 O LEU F 27 109.439 -1.670 -1.547 1.00 0.00 O ATOM 1218 CB LEU F 27 111.597 -4.115 -1.650 1.00 0.00 C ATOM 1219 CG LEU F 27 112.709 -4.578 -0.691 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.924 -5.050 -1.506 1.00 0.00 C ATOM 1221 CD2 LEU F 27 113.135 -3.412 0.219 1.00 0.00 C ATOM 0 H LEU F 27 109.995 -5.905 -0.916 1.00 0.00 H new ATOM 0 HA LEU F 27 110.531 -3.343 0.065 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.415 -4.886 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.923 -3.223 -2.184 1.00 0.00 H new ATOM 0 HG LEU F 27 112.333 -5.397 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.712 -5.378 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.631 -5.879 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.292 -4.228 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.922 -3.747 0.895 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.507 -2.590 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.278 -3.072 0.800 1.00 0.00 H new ATOM 1233 N CYS F 28 108.715 -3.461 -2.710 1.00 0.00 N ATOM 1234 CA CYS F 28 107.858 -2.676 -3.599 1.00 0.00 C ATOM 1235 C CYS F 28 106.776 -1.965 -2.787 1.00 0.00 C ATOM 1236 O CYS F 28 106.590 -0.751 -2.917 1.00 0.00 O ATOM 1237 CB CYS F 28 107.216 -3.588 -4.654 1.00 0.00 C ATOM 1238 SG CYS F 28 106.530 -2.583 -5.995 1.00 0.00 S ATOM 0 H CYS F 28 108.706 -4.465 -2.891 1.00 0.00 H new ATOM 0 HA CYS F 28 108.466 -1.928 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.958 -4.281 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.429 -4.189 -4.198 1.00 0.00 H new ATOM 1243 N ALA F 29 106.087 -2.729 -1.933 1.00 0.00 N ATOM 1244 CA ALA F 29 105.040 -2.168 -1.077 1.00 0.00 C ATOM 1245 C ALA F 29 105.646 -1.131 -0.134 1.00 0.00 C ATOM 1246 O ALA F 29 105.054 -0.075 0.119 1.00 0.00 O ATOM 1247 CB ALA F 29 104.383 -3.287 -0.255 1.00 0.00 C ATOM 0 H ALA F 29 106.235 -3.732 -1.817 1.00 0.00 H new ATOM 0 HA ALA F 29 104.286 -1.691 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.605 -2.863 0.380 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.942 -4.022 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.136 -3.771 0.368 1.00 0.00 H new ATOM 1253 N PHE F 30 106.839 -1.452 0.372 1.00 0.00 N ATOM 1254 CA PHE F 30 107.557 -0.573 1.286 1.00 0.00 C ATOM 1255 C PHE F 30 107.882 0.762 0.615 1.00 0.00 C ATOM 1256 O PHE F 30 107.550 1.821 1.147 1.00 0.00 O ATOM 1257 CB PHE F 30 108.854 -1.276 1.736 1.00 0.00 C ATOM 1258 CG PHE F 30 109.727 -0.335 2.542 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.230 0.244 3.718 1.00 0.00 C ATOM 1260 CD2 PHE F 30 111.032 -0.036 2.109 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.030 1.116 4.458 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.827 0.838 2.854 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.325 1.413 4.028 1.00 0.00 C ATOM 0 H PHE F 30 107.328 -2.322 0.160 1.00 0.00 H new ATOM 0 HA PHE F 30 106.929 -0.365 2.153 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.608 -2.153 2.335 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.403 -1.630 0.863 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.228 0.015 4.051 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.418 -0.481 1.204 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.647 1.562 5.364 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.829 1.070 2.525 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.941 2.088 4.603 1.00 0.00 H new ATOM 1273 N ILE F 31 108.527 0.698 -0.553 1.00 0.00 N ATOM 1274 CA ILE F 31 108.903 1.908 -1.290 1.00 0.00 C ATOM 1275 C ILE F 31 107.675 2.750 -1.623 1.00 0.00 C ATOM 1276 O ILE F 31 107.723 3.981 -1.528 1.00 0.00 O ATOM 1277 CB ILE F 31 109.690 1.533 -2.556 1.00 0.00 C ATOM 1278 CG1 ILE F 31 111.019 0.890 -2.127 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.988 2.787 -3.399 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.759 0.330 -3.341 1.00 0.00 C ATOM 0 H ILE F 31 108.799 -0.174 -1.007 1.00 0.00 H new ATOM 0 HA ILE F 31 109.549 2.516 -0.656 1.00 0.00 H new ATOM 0 HB ILE F 31 109.100 0.841 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.642 1.629 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.829 0.092 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.546 2.502 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.051 3.259 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.579 3.489 -2.811 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.697 -0.121 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.141 -0.425 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.967 1.136 -4.044 1.00 0.00 H new ATOM 1292 N HIS F 32 106.565 2.088 -1.979 1.00 0.00 N ATOM 1293 CA HIS F 32 105.320 2.804 -2.283 1.00 0.00 C ATOM 1294 C HIS F 32 104.847 3.564 -1.040 1.00 0.00 C ATOM 1295 O HIS F 32 104.407 4.711 -1.134 1.00 0.00 O ATOM 1296 CB HIS F 32 104.228 1.824 -2.749 1.00 0.00 C ATOM 1297 CG HIS F 32 104.352 1.583 -4.232 1.00 0.00 C ATOM 1298 ND1 HIS F 32 105.181 0.608 -4.761 1.00 0.00 N ATOM 1299 CD2 HIS F 32 103.752 2.189 -5.310 1.00 0.00 C ATOM 1300 CE1 HIS F 32 105.059 0.653 -6.101 1.00 0.00 C ATOM 1301 NE2 HIS F 32 104.200 1.599 -6.488 1.00 0.00 N ATOM 0 H HIS F 32 106.504 1.073 -2.063 1.00 0.00 H new ATOM 0 HA HIS F 32 105.512 3.512 -3.090 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.320 0.881 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.242 2.228 -2.519 1.00 0.00 H new ATOM 0 HD1 HIS F 32 105.776 -0.029 -4.231 1.00 0.00 H new ATOM 0 HD2 HIS F 32 103.041 3.000 -5.252 1.00 0.00 H new ATOM 0 HE1 HIS F 32 105.591 0.003 -6.780 1.00 0.00 H new ATOM 1310 N SER F 33 104.971 2.915 0.123 1.00 0.00 N ATOM 1311 CA SER F 33 104.578 3.534 1.387 1.00 0.00 C ATOM 1312 C SER F 33 105.436 4.775 1.673 1.00 0.00 C ATOM 1313 O SER F 33 104.916 5.792 2.138 1.00 0.00 O ATOM 1314 CB SER F 33 104.705 2.526 2.535 1.00 0.00 C ATOM 1315 OG SER F 33 103.995 1.339 2.201 1.00 0.00 O ATOM 0 H SER F 33 105.338 1.968 0.212 1.00 0.00 H new ATOM 0 HA SER F 33 103.537 3.846 1.307 1.00 0.00 H new ATOM 0 HB2 SER F 33 105.755 2.296 2.718 1.00 0.00 H new ATOM 0 HB3 SER F 33 104.308 2.954 3.455 1.00 0.00 H new ATOM 0 HG SER F 33 104.472 0.862 1.490 1.00 0.00 H new ATOM 1321 N LEU F 34 106.749 4.688 1.387 1.00 0.00 N ATOM 1322 CA LEU F 34 107.659 5.820 1.609 1.00 0.00 C ATOM 1323 C LEU F 34 107.232 7.013 0.743 1.00 0.00 C ATOM 1324 O LEU F 34 107.321 8.167 1.173 1.00 0.00 O ATOM 1325 CB LEU F 34 109.120 5.442 1.254 1.00 0.00 C ATOM 1326 CG LEU F 34 109.609 4.235 2.078 1.00 0.00 C ATOM 1327 CD1 LEU F 34 111.056 3.885 1.676 1.00 0.00 C ATOM 1328 CD2 LEU F 34 109.556 4.572 3.573 1.00 0.00 C ATOM 0 H LEU F 34 107.196 3.854 1.006 1.00 0.00 H new ATOM 0 HA LEU F 34 107.609 6.085 2.665 1.00 0.00 H new ATOM 0 HB2 LEU F 34 109.189 5.210 0.191 1.00 0.00 H new ATOM 0 HB3 LEU F 34 109.772 6.296 1.436 1.00 0.00 H new ATOM 0 HG LEU F 34 108.963 3.380 1.880 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.399 3.031 2.260 1.00 0.00 H new ATOM 0 HD12 LEU F 34 111.089 3.636 0.615 1.00 0.00 H new ATOM 0 HD13 LEU F 34 111.704 4.740 1.868 1.00 0.00 H new ATOM 0 HD21 LEU F 34 109.903 3.716 4.152 1.00 0.00 H new ATOM 0 HD22 LEU F 34 110.197 5.430 3.775 1.00 0.00 H new ATOM 0 HD23 LEU F 34 108.531 4.810 3.856 1.00 0.00 H new ATOM 1340 N HIS F 35 106.788 6.714 -0.484 1.00 0.00 N ATOM 1341 CA HIS F 35 106.361 7.747 -1.438 1.00 0.00 C ATOM 1342 C HIS F 35 104.961 8.293 -1.124 1.00 0.00 C ATOM 1343 O HIS F 35 104.698 9.477 -1.348 1.00 0.00 O ATOM 1344 CB HIS F 35 106.380 7.164 -2.858 1.00 0.00 C ATOM 1345 CG HIS F 35 106.165 8.260 -3.871 1.00 0.00 C ATOM 1346 ND1 HIS F 35 104.911 8.792 -4.131 1.00 0.00 N ATOM 1347 CD2 HIS F 35 107.035 8.929 -4.699 1.00 0.00 C ATOM 1348 CE1 HIS F 35 105.060 9.736 -5.081 1.00 0.00 C ATOM 1349 NE2 HIS F 35 106.335 9.859 -5.461 1.00 0.00 N ATOM 0 H HIS F 35 106.715 5.761 -0.841 1.00 0.00 H new ATOM 0 HA HIS F 35 107.059 8.580 -1.356 1.00 0.00 H new ATOM 0 HB2 HIS F 35 107.333 6.669 -3.043 1.00 0.00 H new ATOM 0 HB3 HIS F 35 105.602 6.407 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS F 35 108.100 8.758 -4.750 1.00 0.00 H new ATOM 0 HE1 HIS F 35 104.248 10.322 -5.486 1.00 0.00 H new ATOM 0 HE2 HIS F 35 106.714 10.498 -6.160 1.00 0.00 H new ATOM 1358 N ASP F 36 104.061 7.426 -0.625 1.00 0.00 N ATOM 1359 CA ASP F 36 102.679 7.839 -0.306 1.00 0.00 C ATOM 1360 C ASP F 36 102.661 9.030 0.656 1.00 0.00 C ATOM 1361 O ASP F 36 101.845 9.945 0.506 1.00 0.00 O ATOM 1362 CB ASP F 36 101.899 6.664 0.318 1.00 0.00 C ATOM 1363 CG ASP F 36 101.671 5.521 -0.691 1.00 0.00 C ATOM 1364 OD1 ASP F 36 101.714 5.766 -1.890 1.00 0.00 O ATOM 1365 OD2 ASP F 36 101.439 4.409 -0.243 1.00 0.00 O ATOM 0 H ASP F 36 104.261 6.444 -0.435 1.00 0.00 H new ATOM 0 HA ASP F 36 102.202 8.140 -1.239 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.446 6.283 1.180 1.00 0.00 H new ATOM 0 HB3 ASP F 36 100.937 7.022 0.684 1.00 0.00 H new ATOM 1370 N ASP F 37 103.578 9.014 1.623 1.00 0.00 N ATOM 1371 CA ASP F 37 103.689 10.097 2.599 1.00 0.00 C ATOM 1372 C ASP F 37 105.088 10.082 3.230 1.00 0.00 C ATOM 1373 O ASP F 37 105.429 9.134 3.945 1.00 0.00 O ATOM 1374 CB ASP F 37 102.617 9.954 3.694 1.00 0.00 C ATOM 1375 CG ASP F 37 102.411 11.294 4.417 1.00 0.00 C ATOM 1376 OD1 ASP F 37 103.373 11.804 4.972 1.00 0.00 O ATOM 1377 OD2 ASP F 37 101.295 11.789 4.404 1.00 0.00 O ATOM 0 H ASP F 37 104.255 8.262 1.751 1.00 0.00 H new ATOM 0 HA ASP F 37 103.532 11.046 2.087 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.677 9.624 3.251 1.00 0.00 H new ATOM 0 HB3 ASP F 37 102.918 9.189 4.410 1.00 0.00 H new ATOM 1382 N PRO F 38 105.908 11.092 2.979 1.00 0.00 N ATOM 1383 CA PRO F 38 107.289 11.150 3.544 1.00 0.00 C ATOM 1384 C PRO F 38 107.283 11.166 5.075 1.00 0.00 C ATOM 1385 O PRO F 38 108.235 10.707 5.705 1.00 0.00 O ATOM 1386 CB PRO F 38 107.901 12.434 2.965 1.00 0.00 C ATOM 1387 CG PRO F 38 106.769 13.232 2.402 1.00 0.00 C ATOM 1388 CD PRO F 38 105.610 12.271 2.143 1.00 0.00 C ATOM 0 HA PRO F 38 107.869 10.267 3.277 1.00 0.00 H new ATOM 0 HB2 PRO F 38 108.424 12.996 3.738 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.632 12.200 2.191 1.00 0.00 H new ATOM 0 HG2 PRO F 38 106.469 14.015 3.098 1.00 0.00 H new ATOM 0 HG3 PRO F 38 107.071 13.726 1.478 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.655 12.719 2.417 1.00 0.00 H new ATOM 0 HD3 PRO F 38 105.546 12.003 1.088 1.00 0.00 H new ATOM 1396 N SER F 39 106.201 11.687 5.660 1.00 0.00 N ATOM 1397 CA SER F 39 106.077 11.744 7.118 1.00 0.00 C ATOM 1398 C SER F 39 106.042 10.328 7.699 1.00 0.00 C ATOM 1399 O SER F 39 106.623 10.060 8.755 1.00 0.00 O ATOM 1400 CB SER F 39 104.792 12.487 7.515 1.00 0.00 C ATOM 1401 OG SER F 39 104.594 13.597 6.648 1.00 0.00 O ATOM 0 H SER F 39 105.405 12.072 5.151 1.00 0.00 H new ATOM 0 HA SER F 39 106.939 12.279 7.516 1.00 0.00 H new ATOM 0 HB2 SER F 39 103.938 11.812 7.459 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.862 12.828 8.548 1.00 0.00 H new ATOM 0 HG SER F 39 104.072 13.314 5.868 1.00 0.00 H new ATOM 1407 N GLN F 40 105.339 9.436 6.994 1.00 0.00 N ATOM 1408 CA GLN F 40 105.193 8.040 7.415 1.00 0.00 C ATOM 1409 C GLN F 40 106.468 7.225 7.224 1.00 0.00 C ATOM 1410 O GLN F 40 106.603 6.172 7.836 1.00 0.00 O ATOM 1411 CB GLN F 40 104.057 7.369 6.628 1.00 0.00 C ATOM 1412 CG GLN F 40 102.709 7.916 7.097 1.00 0.00 C ATOM 1413 CD GLN F 40 101.571 7.242 6.333 1.00 0.00 C ATOM 1414 OE1 GLN F 40 100.872 7.933 5.474 1.00 0.00 O flip ATOM 1415 NE2 GLN F 40 101.309 6.055 6.527 1.00 0.00 N flip ATOM 0 H GLN F 40 104.859 9.659 6.122 1.00 0.00 H new ATOM 0 HA GLN F 40 104.967 8.061 8.481 1.00 0.00 H new ATOM 0 HB2 GLN F 40 104.183 7.553 5.561 1.00 0.00 H new ATOM 0 HB3 GLN F 40 104.091 6.289 6.771 1.00 0.00 H new ATOM 0 HG2 GLN F 40 102.591 7.743 8.167 1.00 0.00 H new ATOM 0 HG3 GLN F 40 102.672 8.994 6.942 1.00 0.00 H new ATOM 0 HE21 GLN F 40 101.855 5.515 7.198 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.546 5.611 6.016 1.00 0.00 H new ATOM 1424 N SER F 41 107.375 7.678 6.347 1.00 0.00 N ATOM 1425 CA SER F 41 108.609 6.922 6.062 1.00 0.00 C ATOM 1426 C SER F 41 109.306 6.454 7.343 1.00 0.00 C ATOM 1427 O SER F 41 109.731 5.304 7.434 1.00 0.00 O ATOM 1428 CB SER F 41 109.574 7.778 5.234 1.00 0.00 C ATOM 1429 OG SER F 41 110.062 8.851 6.028 1.00 0.00 O ATOM 0 H SER F 41 107.283 8.551 5.828 1.00 0.00 H new ATOM 0 HA SER F 41 108.322 6.036 5.496 1.00 0.00 H new ATOM 0 HB2 SER F 41 110.405 7.168 4.880 1.00 0.00 H new ATOM 0 HB3 SER F 41 109.065 8.167 4.352 1.00 0.00 H new ATOM 0 HG SER F 41 109.425 9.595 5.999 1.00 0.00 H new ATOM 1435 N ALA F 42 109.399 7.344 8.326 1.00 0.00 N ATOM 1436 CA ALA F 42 110.032 7.013 9.606 1.00 0.00 C ATOM 1437 C ALA F 42 109.299 5.856 10.295 1.00 0.00 C ATOM 1438 O ALA F 42 109.925 4.873 10.702 1.00 0.00 O ATOM 1439 CB ALA F 42 110.032 8.243 10.521 1.00 0.00 C ATOM 0 H ALA F 42 109.046 8.299 8.265 1.00 0.00 H new ATOM 0 HA ALA F 42 111.059 6.704 9.411 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.504 7.990 11.471 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.587 9.051 10.044 1.00 0.00 H new ATOM 0 HB3 ALA F 42 109.006 8.563 10.700 1.00 0.00 H new ATOM 1445 N ASN F 43 107.971 5.975 10.414 1.00 0.00 N ATOM 1446 CA ASN F 43 107.165 4.925 11.046 1.00 0.00 C ATOM 1447 C ASN F 43 107.244 3.634 10.229 1.00 0.00 C ATOM 1448 O ASN F 43 107.356 2.538 10.786 1.00 0.00 O ATOM 1449 CB ASN F 43 105.702 5.371 11.161 1.00 0.00 C ATOM 1450 CG ASN F 43 105.596 6.593 12.070 1.00 0.00 C ATOM 1451 OD1 ASN F 43 105.868 7.713 11.638 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.217 6.444 13.309 1.00 0.00 N ATOM 0 H ASN F 43 107.437 6.779 10.085 1.00 0.00 H new ATOM 0 HA ASN F 43 107.561 4.742 12.045 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.307 5.608 10.173 1.00 0.00 H new ATOM 0 HB3 ASN F 43 105.096 4.558 11.560 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.146 7.256 13.922 1.00 0.00 H new ATOM 0 HD22 ASN F 43 104.992 5.515 13.665 1.00 0.00 H new ATOM 1459 N LEU F 44 107.199 3.788 8.905 1.00 0.00 N ATOM 1460 CA LEU F 44 107.280 2.656 7.986 1.00 0.00 C ATOM 1461 C LEU F 44 108.622 1.959 8.146 1.00 0.00 C ATOM 1462 O LEU F 44 108.711 0.737 8.035 1.00 0.00 O ATOM 1463 CB LEU F 44 107.118 3.141 6.540 1.00 0.00 C ATOM 1464 CG LEU F 44 105.693 3.682 6.321 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.671 4.592 5.083 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.723 2.510 6.113 1.00 0.00 C ATOM 0 H LEU F 44 107.106 4.693 8.444 1.00 0.00 H new ATOM 0 HA LEU F 44 106.479 1.953 8.217 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.849 3.921 6.326 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.315 2.321 5.849 1.00 0.00 H new ATOM 0 HG LEU F 44 105.387 4.255 7.197 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.662 4.974 4.930 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.356 5.427 5.233 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.980 4.022 4.207 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.715 2.895 5.958 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.030 1.934 5.240 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.735 1.867 6.993 1.00 0.00 H new ATOM 1478 N LEU F 45 109.662 2.753 8.420 1.00 0.00 N ATOM 1479 CA LEU F 45 111.004 2.218 8.614 1.00 0.00 C ATOM 1480 C LEU F 45 111.020 1.278 9.818 1.00 0.00 C ATOM 1481 O LEU F 45 111.661 0.232 9.785 1.00 0.00 O ATOM 1482 CB LEU F 45 112.010 3.370 8.828 1.00 0.00 C ATOM 1483 CG LEU F 45 112.943 3.485 7.609 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.160 4.027 6.398 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.112 4.443 7.914 1.00 0.00 C ATOM 0 H LEU F 45 109.596 3.767 8.511 1.00 0.00 H new ATOM 0 HA LEU F 45 111.294 1.660 7.724 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.475 4.308 8.977 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.596 3.190 9.729 1.00 0.00 H new ATOM 0 HG LEU F 45 113.336 2.493 7.384 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.827 4.106 5.539 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.341 3.348 6.161 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.757 5.012 6.636 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.762 4.513 7.042 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.719 5.431 8.154 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.682 4.063 8.762 1.00 0.00 H new ATOM 1497 N ALA F 46 110.297 1.662 10.872 1.00 0.00 N ATOM 1498 CA ALA F 46 110.219 0.850 12.086 1.00 0.00 C ATOM 1499 C ALA F 46 109.538 -0.487 11.799 1.00 0.00 C ATOM 1500 O ALA F 46 110.045 -1.540 12.194 1.00 0.00 O ATOM 1501 CB ALA F 46 109.434 1.607 13.165 1.00 0.00 C ATOM 0 H ALA F 46 109.759 2.528 10.909 1.00 0.00 H new ATOM 0 HA ALA F 46 111.232 0.656 12.438 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.378 0.999 14.068 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.939 2.546 13.391 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.427 1.814 12.804 1.00 0.00 H new ATOM 1507 N GLU F 47 108.390 -0.442 11.113 1.00 0.00 N ATOM 1508 CA GLU F 47 107.661 -1.669 10.787 1.00 0.00 C ATOM 1509 C GLU F 47 108.432 -2.499 9.771 1.00 0.00 C ATOM 1510 O GLU F 47 108.471 -3.716 9.882 1.00 0.00 O ATOM 1511 CB GLU F 47 106.290 -1.362 10.203 1.00 0.00 C ATOM 1512 CG GLU F 47 105.388 -0.693 11.248 1.00 0.00 C ATOM 1513 CD GLU F 47 105.115 -1.636 12.422 1.00 0.00 C ATOM 1514 OE1 GLU F 47 104.491 -2.664 12.202 1.00 0.00 O ATOM 1515 OE2 GLU F 47 105.530 -1.319 13.527 1.00 0.00 O ATOM 0 H GLU F 47 107.953 0.417 10.778 1.00 0.00 H new ATOM 0 HA GLU F 47 107.545 -2.224 11.718 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.397 -0.709 9.337 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.825 -2.283 9.852 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.862 0.219 11.612 1.00 0.00 H new ATOM 0 HG3 GLU F 47 104.445 -0.400 10.786 1.00 0.00 H new ATOM 1522 N ALA F 48 109.038 -1.829 8.781 1.00 0.00 N ATOM 1523 CA ALA F 48 109.814 -2.511 7.745 1.00 0.00 C ATOM 1524 C ALA F 48 111.002 -3.204 8.393 1.00 0.00 C ATOM 1525 O ALA F 48 111.254 -4.387 8.167 1.00 0.00 O ATOM 1526 CB ALA F 48 110.304 -1.489 6.713 1.00 0.00 C ATOM 0 H ALA F 48 109.004 -0.815 8.679 1.00 0.00 H new ATOM 0 HA ALA F 48 109.191 -3.250 7.242 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.882 -1.999 5.942 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.447 -0.994 6.256 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.932 -0.747 7.206 1.00 0.00 H new ATOM 1532 N LYS F 49 111.701 -2.450 9.240 1.00 0.00 N ATOM 1533 CA LYS F 49 112.833 -2.975 9.973 1.00 0.00 C ATOM 1534 C LYS F 49 112.347 -4.067 10.932 1.00 0.00 C ATOM 1535 O LYS F 49 113.022 -5.073 11.134 1.00 0.00 O ATOM 1536 CB LYS F 49 113.521 -1.850 10.748 1.00 0.00 C ATOM 1537 CG LYS F 49 114.871 -2.354 11.269 1.00 0.00 C ATOM 1538 CD LYS F 49 115.201 -1.678 12.595 1.00 0.00 C ATOM 1539 CE LYS F 49 115.634 -0.233 12.349 1.00 0.00 C ATOM 1540 NZ LYS F 49 116.096 0.373 13.630 1.00 0.00 N ATOM 0 H LYS F 49 111.495 -1.469 9.431 1.00 0.00 H new ATOM 0 HA LYS F 49 113.555 -3.403 9.278 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.666 -0.983 10.103 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.894 -1.527 11.579 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.839 -3.436 11.400 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.653 -2.144 10.539 1.00 0.00 H new ATOM 0 HD2 LYS F 49 114.330 -1.699 13.251 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.996 -2.224 13.103 1.00 0.00 H new ATOM 0 HE2 LYS F 49 116.435 -0.203 11.611 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.803 0.342 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 116.197 1.401 13.511 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 115.400 0.177 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 117.014 -0.036 13.896 1.00 0.00 H new ATOM 1554 N LYS F 50 111.146 -3.880 11.488 1.00 0.00 N ATOM 1555 CA LYS F 50 110.565 -4.881 12.374 1.00 0.00 C ATOM 1556 C LYS F 50 110.229 -6.105 11.534 1.00 0.00 C ATOM 1557 O LYS F 50 110.359 -7.243 11.977 1.00 0.00 O ATOM 1558 CB LYS F 50 109.314 -4.310 13.057 1.00 0.00 C ATOM 1559 CG LYS F 50 108.677 -5.352 13.988 1.00 0.00 C ATOM 1560 CD LYS F 50 107.513 -4.718 14.766 1.00 0.00 C ATOM 1561 CE LYS F 50 106.284 -4.608 13.861 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.171 -3.962 14.614 1.00 0.00 N ATOM 0 H LYS F 50 110.567 -3.054 11.340 1.00 0.00 H new ATOM 0 HA LYS F 50 111.266 -5.161 13.161 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.580 -3.420 13.628 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.591 -4.000 12.302 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.317 -6.200 13.406 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.424 -5.736 14.683 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.278 -5.322 15.643 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.800 -3.730 15.127 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.524 -4.024 12.973 1.00 0.00 H new ATOM 0 HE3 LYS F 50 105.980 -5.598 13.519 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.263 -4.211 14.172 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 105.180 -4.295 15.599 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.293 -2.929 14.596 1.00 0.00 H new ATOM 1576 N LEU F 51 109.826 -5.843 10.288 1.00 0.00 N ATOM 1577 CA LEU F 51 109.500 -6.899 9.343 1.00 0.00 C ATOM 1578 C LEU F 51 110.762 -7.696 9.048 1.00 0.00 C ATOM 1579 O LEU F 51 110.725 -8.917 8.942 1.00 0.00 O ATOM 1580 CB LEU F 51 108.951 -6.291 8.050 1.00 0.00 C ATOM 1581 CG LEU F 51 107.927 -7.239 7.429 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.685 -7.297 8.333 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.550 -6.733 6.028 1.00 0.00 C ATOM 0 H LEU F 51 109.719 -4.900 9.914 1.00 0.00 H new ATOM 0 HA LEU F 51 108.740 -7.555 9.768 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.488 -5.326 8.258 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.765 -6.109 7.348 1.00 0.00 H new ATOM 0 HG LEU F 51 108.347 -8.241 7.338 1.00 0.00 H new ATOM 0 HD11 LEU F 51 105.949 -7.972 7.897 1.00 0.00 H new ATOM 0 HD12 LEU F 51 106.970 -7.660 9.320 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.254 -6.300 8.424 1.00 0.00 H new ATOM 0 HD21 LEU F 51 106.819 -7.408 5.582 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.122 -5.734 6.105 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.441 -6.698 5.402 1.00 0.00 H new ATOM 1595 N ASN F 52 111.883 -6.971 8.965 1.00 0.00 N ATOM 1596 CA ASN F 52 113.190 -7.589 8.741 1.00 0.00 C ATOM 1597 C ASN F 52 113.428 -8.630 9.836 1.00 0.00 C ATOM 1598 O ASN F 52 113.934 -9.724 9.577 1.00 0.00 O ATOM 1599 CB ASN F 52 114.278 -6.504 8.795 1.00 0.00 C ATOM 1600 CG ASN F 52 115.641 -7.029 8.361 1.00 0.00 C ATOM 1601 OD1 ASN F 52 115.775 -8.164 7.900 1.00 0.00 O ATOM 1602 ND2 ASN F 52 116.677 -6.245 8.493 1.00 0.00 N ATOM 0 H ASN F 52 111.909 -5.955 9.050 1.00 0.00 H new ATOM 0 HA ASN F 52 113.223 -8.072 7.765 1.00 0.00 H new ATOM 0 HB2 ASN F 52 113.990 -5.672 8.152 1.00 0.00 H new ATOM 0 HB3 ASN F 52 114.348 -6.113 9.810 1.00 0.00 H new ATOM 0 HD21 ASN F 52 117.602 -6.571 8.214 1.00 0.00 H new ATOM 0 HD22 ASN F 52 116.561 -5.306 8.875 1.00 0.00 H new ATOM 1609 N ASP F 53 113.014 -8.268 11.060 1.00 0.00 N ATOM 1610 CA ASP F 53 113.129 -9.152 12.219 1.00 0.00 C ATOM 1611 C ASP F 53 112.069 -10.264 12.155 1.00 0.00 C ATOM 1612 O ASP F 53 112.333 -11.410 12.527 1.00 0.00 O ATOM 1613 CB ASP F 53 112.959 -8.343 13.519 1.00 0.00 C ATOM 1614 CG ASP F 53 114.109 -7.340 13.684 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.247 -7.776 13.780 1.00 0.00 O ATOM 1616 OD2 ASP F 53 113.835 -6.150 13.717 1.00 0.00 O ATOM 0 H ASP F 53 112.595 -7.362 11.268 1.00 0.00 H new ATOM 0 HA ASP F 53 114.118 -9.610 12.208 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.007 -7.813 13.502 1.00 0.00 H new ATOM 0 HB3 ASP F 53 112.933 -9.019 14.374 1.00 0.00 H new ATOM 1621 N ALA F 54 110.868 -9.900 11.691 1.00 0.00 N ATOM 1622 CA ALA F 54 109.746 -10.843 11.580 1.00 0.00 C ATOM 1623 C ALA F 54 109.966 -11.873 10.464 1.00 0.00 C ATOM 1624 O ALA F 54 109.497 -13.010 10.562 1.00 0.00 O ATOM 1625 CB ALA F 54 108.450 -10.072 11.305 1.00 0.00 C ATOM 0 H ALA F 54 110.646 -8.953 11.384 1.00 0.00 H new ATOM 0 HA ALA F 54 109.676 -11.381 12.525 1.00 0.00 H new ATOM 0 HB1 ALA F 54 107.620 -10.773 11.223 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.259 -9.378 12.123 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.548 -9.516 10.373 1.00 0.00 H new ATOM 1631 N GLN F 55 110.663 -11.453 9.405 1.00 0.00 N ATOM 1632 CA GLN F 55 110.935 -12.316 8.247 1.00 0.00 C ATOM 1633 C GLN F 55 112.307 -12.974 8.367 1.00 0.00 C ATOM 1634 O GLN F 55 112.654 -13.858 7.579 1.00 0.00 O ATOM 1635 CB GLN F 55 110.889 -11.479 6.964 1.00 0.00 C ATOM 1636 CG GLN F 55 109.472 -10.928 6.757 1.00 0.00 C ATOM 1637 CD GLN F 55 109.443 -9.963 5.572 1.00 0.00 C ATOM 1638 OE1 GLN F 55 110.307 -9.097 5.456 1.00 0.00 O ATOM 1639 NE2 GLN F 55 108.494 -10.055 4.684 1.00 0.00 N ATOM 0 H GLN F 55 111.053 -10.514 9.324 1.00 0.00 H new ATOM 0 HA GLN F 55 110.175 -13.097 8.214 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.603 -10.658 7.028 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.181 -12.089 6.109 1.00 0.00 H new ATOM 0 HG2 GLN F 55 108.777 -11.750 6.582 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.139 -10.416 7.660 1.00 0.00 H new ATOM 0 HE21 GLN F 55 107.776 -10.773 4.778 1.00 0.00 H new ATOM 0 HE22 GLN F 55 108.470 -9.409 3.895 1.00 0.00 H new ATOM 1648 N ALA F 56 113.080 -12.511 9.345 1.00 0.00 N ATOM 1649 CA ALA F 56 114.422 -13.010 9.581 1.00 0.00 C ATOM 1650 C ALA F 56 114.430 -14.508 9.894 1.00 0.00 C ATOM 1651 O ALA F 56 113.385 -15.112 10.158 1.00 0.00 O ATOM 1652 CB ALA F 56 115.053 -12.239 10.747 1.00 0.00 C ATOM 0 H ALA F 56 112.790 -11.779 9.994 1.00 0.00 H new ATOM 0 HA ALA F 56 115.000 -12.860 8.669 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.061 -12.612 10.926 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.097 -11.178 10.500 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.450 -12.378 11.644 1.00 0.00 H new