USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 891 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 HIS : no HD1:sc= -3! C(o=-8.6!,f=-9.6!) USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -5.59! C(o=-9.4!,f=-8.6!) USER MOD Set 2.1: A 64 CYS SG : rot 90:sc= -1.46 USER MOD Set 2.2: A 85 CYS SG : rot -90:sc= -9.92! USER MOD Set 3.1: A 62 SER OG : rot 180:sc= 0.764 USER MOD Set 3.2: A 88 SER OG : rot 26:sc= 0.88 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 36 LYS NZ :NH3+ -132:sc= 0.331 (180deg=-1.58!) USER MOD Set 5.2: A 40 THR OG1 : rot 81:sc= 0.104 USER MOD Set 6.1: A 21 THR OG1 : rot -45:sc= 1.26 USER MOD Set 6.2: A 117 THR OG1 : rot 38:sc= -0.366! USER MOD Set 7.1: A 15 ASN : amide:sc= -0.0185 K(o=-0.4,f=-2.2) USER MOD Set 7.2: A 17 ASN :FLIP amide:sc= -0.382! F(o=-2.4,f=-0.4!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.745 USER MOD Single : A 12 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 22 ASN : amide:sc= -0.255 K(o=-0.26,f=-1.2!) USER MOD Single : A 25 TYR OH : rot -167:sc= 0.0896 USER MOD Single : A 26 SER OG : rot 117:sc= 0.0221 USER MOD Single : A 27 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.1!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -51:sc= 0.465 USER MOD Single : A 34 THR OG1 : rot -115:sc= 0.846 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 38 GLN : amide:sc= 0.0119 X(o=0.012,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 49 ASN : amide:sc= 0.48 X(o=0.48,f=0) USER MOD Single : A 50 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.4!) USER MOD Single : A 54 ASN : amide:sc= 1.15 K(o=1.2,f=-0.099) USER MOD Single : A 55 SER OG : rot -76:sc= 1.23 USER MOD Single : A 56 SER OG : rot -32:sc= 1.02 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.014) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.483 F(o=-1.4,f=-0.48) USER MOD Single : A 79 THR OG1 : rot 92:sc= 0.392 USER MOD Single : A 83 SER OG : rot -136:sc= -3.58! USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -146:sc= -2.47 (180deg=-2.99) USER MOD Single : A 107 THR OG1 : rot -77:sc= -0.266 USER MOD Single : A 108 HIS : no HD1:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 111 THR OG1 : rot -102:sc= 1.17 USER MOD Single : A 112 GLN : amide:sc= -0.189 K(o=-0.19,f=-0.77) USER MOD Single : A 115 ASN : amide:sc=-0.00762 X(o=-0.0076,f=-0.43) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -160:sc= 0 USER MOD Single : A 127 SER OG : rot -38:sc= 1.45 USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 11 0.784 18.692 -6.413 1.00 0.00 N ATOM 102 CA SER A 11 0.908 17.394 -5.759 1.00 0.00 C ATOM 103 C SER A 11 1.278 16.312 -6.768 1.00 0.00 C ATOM 104 O SER A 11 1.532 16.600 -7.937 1.00 0.00 O ATOM 105 CB SER A 11 -0.399 17.026 -5.057 1.00 0.00 C ATOM 106 OG SER A 11 -0.155 16.247 -3.899 1.00 0.00 O ATOM 0 HA SER A 11 1.703 17.463 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.936 17.934 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.040 16.472 -5.743 1.00 0.00 H new ATOM 0 HG SER A 11 -1.007 16.026 -3.468 1.00 0.00 H new ATOM 111 N GLN A 12 1.309 15.065 -6.307 1.00 0.00 N ATOM 112 CA GLN A 12 1.650 13.941 -7.171 1.00 0.00 C ATOM 113 C GLN A 12 0.862 12.695 -6.780 1.00 0.00 C ATOM 114 O GLN A 12 0.762 12.353 -5.601 1.00 0.00 O ATOM 115 CB GLN A 12 3.151 13.652 -7.101 1.00 0.00 C ATOM 116 CG GLN A 12 3.714 13.688 -5.691 1.00 0.00 C ATOM 117 CD GLN A 12 5.226 13.799 -5.670 1.00 0.00 C ATOM 118 OE1 GLN A 12 5.911 12.986 -5.049 1.00 0.00 O ATOM 119 NE2 GLN A 12 5.755 14.809 -6.351 1.00 0.00 N ATOM 0 H GLN A 12 1.102 14.808 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 12 1.387 14.210 -8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.344 12.671 -7.535 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.681 14.381 -7.713 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.284 14.533 -5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.412 12.785 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.149 15.459 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.767 14.934 -6.374 1.00 0.00 H new ATOM 128 N HIS A 13 0.303 12.020 -7.780 1.00 0.00 N ATOM 129 CA HIS A 13 -0.477 10.809 -7.548 1.00 0.00 C ATOM 130 C HIS A 13 0.209 9.596 -8.166 1.00 0.00 C ATOM 131 O HIS A 13 0.416 9.538 -9.379 1.00 0.00 O ATOM 132 CB HIS A 13 -1.883 10.964 -8.131 1.00 0.00 C ATOM 133 CG HIS A 13 -2.744 11.931 -7.377 1.00 0.00 C ATOM 134 ND1 HIS A 13 -4.097 12.071 -7.606 1.00 0.00 N ATOM 135 CD2 HIS A 13 -2.437 12.809 -6.393 1.00 0.00 C ATOM 136 CE1 HIS A 13 -4.584 12.994 -6.797 1.00 0.00 C ATOM 137 NE2 HIS A 13 -3.599 13.456 -6.051 1.00 0.00 N ATOM 0 H HIS A 13 0.376 12.292 -8.760 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.552 10.655 -6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.803 11.294 -9.167 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.371 9.990 -8.143 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.461 12.970 -5.959 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.614 13.316 -6.753 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.686 14.178 -5.335 1.00 0.00 H new ATOM 146 N PHE A 14 0.560 8.627 -7.327 1.00 0.00 N ATOM 147 CA PHE A 14 1.224 7.416 -7.795 1.00 0.00 C ATOM 148 C PHE A 14 0.271 6.225 -7.756 1.00 0.00 C ATOM 149 O PHE A 14 -0.090 5.740 -6.684 1.00 0.00 O ATOM 150 CB PHE A 14 2.461 7.125 -6.944 1.00 0.00 C ATOM 151 CG PHE A 14 3.524 8.181 -7.054 1.00 0.00 C ATOM 152 CD1 PHE A 14 4.303 8.283 -8.196 1.00 0.00 C ATOM 153 CD2 PHE A 14 3.746 9.071 -6.016 1.00 0.00 C ATOM 154 CE1 PHE A 14 5.282 9.252 -8.300 1.00 0.00 C ATOM 155 CE2 PHE A 14 4.724 10.043 -6.114 1.00 0.00 C ATOM 156 CZ PHE A 14 5.493 10.133 -7.258 1.00 0.00 C ATOM 0 H PHE A 14 0.396 8.657 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 14 1.534 7.577 -8.828 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.161 7.030 -5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.881 6.165 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.143 7.597 -9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.148 9.005 -5.119 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.882 9.320 -9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.887 10.731 -5.297 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.258 10.891 -7.337 1.00 0.00 H new ATOM 166 N ASN A 15 -0.135 5.760 -8.934 1.00 0.00 N ATOM 167 CA ASN A 15 -1.049 4.628 -9.038 1.00 0.00 C ATOM 168 C ASN A 15 -0.474 3.392 -8.354 1.00 0.00 C ATOM 169 O ASN A 15 0.448 2.760 -8.867 1.00 0.00 O ATOM 170 CB ASN A 15 -1.347 4.322 -10.508 1.00 0.00 C ATOM 171 CG ASN A 15 -2.834 4.235 -10.791 1.00 0.00 C ATOM 172 OD1 ASN A 15 -3.604 5.113 -10.402 1.00 0.00 O ATOM 173 ND2 ASN A 15 -3.245 3.171 -11.472 1.00 0.00 N ATOM 0 H ASN A 15 0.155 6.150 -9.831 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.977 4.897 -8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.906 5.097 -11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.872 3.381 -10.784 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.234 3.057 -11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.571 2.468 -11.775 1.00 0.00 H new ATOM 180 N LEU A 16 -1.028 3.051 -7.195 1.00 0.00 N ATOM 181 CA LEU A 16 -0.574 1.888 -6.443 1.00 0.00 C ATOM 182 C LEU A 16 -1.335 0.639 -6.875 1.00 0.00 C ATOM 183 O LEU A 16 -2.566 0.620 -6.866 1.00 0.00 O ATOM 184 CB LEU A 16 -0.762 2.122 -4.942 1.00 0.00 C ATOM 185 CG LEU A 16 -0.097 1.083 -4.037 1.00 0.00 C ATOM 186 CD1 LEU A 16 1.419 1.190 -4.123 1.00 0.00 C ATOM 187 CD2 LEU A 16 -0.568 1.253 -2.600 1.00 0.00 C ATOM 0 H LEU A 16 -1.793 3.564 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 16 0.486 1.738 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.367 3.106 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.830 2.142 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.387 0.090 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.874 0.443 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.738 1.019 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.732 2.185 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.086 0.507 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.306 2.251 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.649 1.124 -2.554 1.00 0.00 H new ATOM 199 N ASN A 17 -0.599 -0.399 -7.257 1.00 0.00 N ATOM 200 CA ASN A 17 -1.215 -1.644 -7.696 1.00 0.00 C ATOM 201 C ASN A 17 -0.399 -2.855 -7.258 1.00 0.00 C ATOM 202 O ASN A 17 0.832 -2.835 -7.292 1.00 0.00 O ATOM 203 CB ASN A 17 -1.374 -1.645 -9.217 1.00 0.00 C ATOM 204 CG ASN A 17 -2.399 -0.634 -9.693 1.00 0.00 C ATOM 205 OD1 ASN A 17 -1.969 0.611 -9.860 1.00 0.00 O flip ATOM 206 ND2 ASN A 17 -3.564 -0.969 -9.910 1.00 0.00 N flip ATOM 0 H ASN A 17 0.421 -0.403 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.198 -1.713 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.411 -1.428 -9.680 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.669 -2.641 -9.548 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.851 -1.937 -9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.242 -0.278 -10.232 1.00 0.00 H new ATOM 213 N PHE A 18 -1.098 -3.911 -6.856 1.00 0.00 N ATOM 214 CA PHE A 18 -0.452 -5.143 -6.417 1.00 0.00 C ATOM 215 C PHE A 18 -1.497 -6.195 -6.058 1.00 0.00 C ATOM 216 O PHE A 18 -2.245 -6.040 -5.092 1.00 0.00 O ATOM 217 CB PHE A 18 0.464 -4.879 -5.220 1.00 0.00 C ATOM 218 CG PHE A 18 -0.264 -4.431 -3.985 1.00 0.00 C ATOM 219 CD1 PHE A 18 -0.765 -3.143 -3.889 1.00 0.00 C ATOM 220 CD2 PHE A 18 -0.446 -5.299 -2.918 1.00 0.00 C ATOM 221 CE1 PHE A 18 -1.433 -2.727 -2.753 1.00 0.00 C ATOM 222 CE2 PHE A 18 -1.114 -4.888 -1.781 1.00 0.00 C ATOM 223 CZ PHE A 18 -1.608 -3.601 -1.697 1.00 0.00 C ATOM 0 H PHE A 18 -2.117 -3.938 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 18 0.156 -5.519 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.020 -5.789 -4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.195 -4.119 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.632 -2.456 -4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.061 -6.306 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.818 -1.720 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.250 -5.573 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.130 -3.278 -0.808 1.00 0.00 H new ATOM 233 N THR A 19 -1.548 -7.262 -6.848 1.00 0.00 N ATOM 234 CA THR A 19 -2.505 -8.338 -6.623 1.00 0.00 C ATOM 235 C THR A 19 -2.193 -9.095 -5.336 1.00 0.00 C ATOM 236 O THR A 19 -1.045 -9.456 -5.078 1.00 0.00 O ATOM 237 CB THR A 19 -2.504 -9.305 -7.807 1.00 0.00 C ATOM 238 OG1 THR A 19 -2.656 -8.604 -9.028 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.604 -10.343 -7.733 1.00 0.00 C ATOM 0 H THR A 19 -0.936 -7.404 -7.652 1.00 0.00 H new ATOM 0 HA THR A 19 -3.494 -7.890 -6.525 1.00 0.00 H new ATOM 0 HB THR A 19 -1.542 -9.815 -7.762 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.651 -9.240 -9.773 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.546 -10.997 -8.603 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.485 -10.935 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.574 -9.845 -7.717 1.00 0.00 H new ATOM 247 N ILE A 20 -3.226 -9.337 -4.536 1.00 0.00 N ATOM 248 CA ILE A 20 -3.069 -10.055 -3.278 1.00 0.00 C ATOM 249 C ILE A 20 -3.554 -11.495 -3.409 1.00 0.00 C ATOM 250 O ILE A 20 -4.754 -11.763 -3.353 1.00 0.00 O ATOM 251 CB ILE A 20 -3.838 -9.367 -2.133 1.00 0.00 C ATOM 252 CG1 ILE A 20 -3.505 -7.875 -2.090 1.00 0.00 C ATOM 253 CG2 ILE A 20 -3.513 -10.026 -0.802 1.00 0.00 C ATOM 254 CD1 ILE A 20 -4.514 -7.053 -1.318 1.00 0.00 C ATOM 0 H ILE A 20 -4.182 -9.045 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.005 -10.049 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.907 -9.477 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.521 -7.743 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.443 -7.495 -3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.065 -9.528 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.798 -11.078 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.443 -9.946 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.214 -6.005 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.496 -7.155 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.560 -7.407 -0.288 1.00 0.00 H new ATOM 266 N THR A 21 -2.614 -12.419 -3.584 1.00 0.00 N ATOM 267 CA THR A 21 -2.943 -13.834 -3.726 1.00 0.00 C ATOM 268 C THR A 21 -3.816 -14.317 -2.572 1.00 0.00 C ATOM 269 O THR A 21 -4.609 -15.245 -2.727 1.00 0.00 O ATOM 270 CB THR A 21 -1.664 -14.670 -3.798 1.00 0.00 C ATOM 271 OG1 THR A 21 -0.988 -14.658 -2.554 1.00 0.00 O ATOM 272 CG2 THR A 21 -0.693 -14.190 -4.854 1.00 0.00 C ATOM 0 H THR A 21 -1.616 -12.213 -3.631 1.00 0.00 H new ATOM 0 HA THR A 21 -3.505 -13.956 -4.652 1.00 0.00 H new ATOM 0 HB THR A 21 -1.991 -15.676 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.957 -13.742 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.192 -14.827 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.169 -14.235 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.401 -13.162 -4.639 1.00 0.00 H new ATOM 280 N ASN A 22 -3.664 -13.684 -1.413 1.00 0.00 N ATOM 281 CA ASN A 22 -4.439 -14.051 -0.234 1.00 0.00 C ATOM 282 C ASN A 22 -5.687 -13.181 -0.110 1.00 0.00 C ATOM 283 O ASN A 22 -6.018 -12.701 0.975 1.00 0.00 O ATOM 284 CB ASN A 22 -3.579 -13.923 1.025 1.00 0.00 C ATOM 285 CG ASN A 22 -3.660 -15.153 1.908 1.00 0.00 C ATOM 286 OD1 ASN A 22 -3.810 -16.273 1.418 1.00 0.00 O ATOM 287 ND2 ASN A 22 -3.562 -14.951 3.216 1.00 0.00 N ATOM 0 H ASN A 22 -3.011 -12.914 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.755 -15.088 -0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.541 -13.753 0.737 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.899 -13.050 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.610 -15.741 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.438 -14.006 3.578 1.00 0.00 H new ATOM 294 N LEU A 23 -6.379 -12.983 -1.228 1.00 0.00 N ATOM 295 CA LEU A 23 -7.590 -12.174 -1.246 1.00 0.00 C ATOM 296 C LEU A 23 -8.533 -12.631 -2.358 1.00 0.00 C ATOM 297 O LEU A 23 -8.437 -12.168 -3.494 1.00 0.00 O ATOM 298 CB LEU A 23 -7.239 -10.697 -1.439 1.00 0.00 C ATOM 299 CG LEU A 23 -8.249 -9.709 -0.853 1.00 0.00 C ATOM 300 CD1 LEU A 23 -9.578 -9.807 -1.586 1.00 0.00 C ATOM 301 CD2 LEU A 23 -8.439 -9.960 0.635 1.00 0.00 C ATOM 0 H LEU A 23 -6.120 -13.373 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.095 -12.300 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.265 -10.509 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.138 -10.500 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.859 -8.700 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.284 -9.097 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.429 -9.577 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.974 -10.818 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.161 -9.248 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.807 -10.975 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.486 -9.838 1.149 1.00 0.00 H new ATOM 313 N PRO A 24 -9.462 -13.553 -2.043 1.00 0.00 N ATOM 314 CA PRO A 24 -10.421 -14.072 -3.024 1.00 0.00 C ATOM 315 C PRO A 24 -11.451 -13.025 -3.438 1.00 0.00 C ATOM 316 O PRO A 24 -11.877 -12.204 -2.627 1.00 0.00 O ATOM 317 CB PRO A 24 -11.101 -15.225 -2.282 1.00 0.00 C ATOM 318 CG PRO A 24 -10.959 -14.883 -0.840 1.00 0.00 C ATOM 319 CD PRO A 24 -9.647 -14.161 -0.712 1.00 0.00 C ATOM 0 HA PRO A 24 -9.932 -14.373 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.149 -15.315 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.626 -16.179 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.784 -14.255 -0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.972 -15.781 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.678 -13.406 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.834 -14.844 -0.466 1.00 0.00 H new ATOM 327 N TYR A 25 -11.845 -13.062 -4.707 1.00 0.00 N ATOM 328 CA TYR A 25 -12.826 -12.117 -5.230 1.00 0.00 C ATOM 329 C TYR A 25 -14.190 -12.780 -5.387 1.00 0.00 C ATOM 330 O TYR A 25 -14.308 -13.847 -5.990 1.00 0.00 O ATOM 331 CB TYR A 25 -12.360 -11.557 -6.575 1.00 0.00 C ATOM 332 CG TYR A 25 -12.876 -10.165 -6.863 1.00 0.00 C ATOM 333 CD1 TYR A 25 -14.239 -9.910 -6.934 1.00 0.00 C ATOM 334 CD2 TYR A 25 -11.999 -9.106 -7.063 1.00 0.00 C ATOM 335 CE1 TYR A 25 -14.715 -8.639 -7.197 1.00 0.00 C ATOM 336 CE2 TYR A 25 -12.467 -7.833 -7.326 1.00 0.00 C ATOM 337 CZ TYR A 25 -13.826 -7.605 -7.392 1.00 0.00 C ATOM 338 OH TYR A 25 -14.296 -6.337 -7.653 1.00 0.00 O ATOM 0 H TYR A 25 -11.501 -13.735 -5.392 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.920 -11.298 -4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -11.270 -11.543 -6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.685 -12.228 -7.370 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -14.939 -10.718 -6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.934 -9.281 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.778 -8.458 -7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.772 -7.020 -7.479 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.559 -5.773 -7.967 1.00 0.00 H new ATOM 348 N SER A 26 -15.219 -12.141 -4.841 1.00 0.00 N ATOM 349 CA SER A 26 -16.576 -12.668 -4.920 1.00 0.00 C ATOM 350 C SER A 26 -17.555 -11.583 -5.357 1.00 0.00 C ATOM 351 O SER A 26 -17.168 -10.434 -5.573 1.00 0.00 O ATOM 352 CB SER A 26 -17.004 -13.242 -3.568 1.00 0.00 C ATOM 353 OG SER A 26 -17.036 -12.234 -2.573 1.00 0.00 O ATOM 0 H SER A 26 -15.139 -11.257 -4.339 1.00 0.00 H new ATOM 0 HA SER A 26 -16.587 -13.465 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.989 -13.699 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.313 -14.031 -3.269 1.00 0.00 H new ATOM 0 HG SER A 26 -17.952 -12.132 -2.240 1.00 0.00 H new ATOM 359 N GLN A 27 -18.825 -11.954 -5.484 1.00 0.00 N ATOM 360 CA GLN A 27 -19.859 -11.012 -5.895 1.00 0.00 C ATOM 361 C GLN A 27 -19.955 -9.848 -4.915 1.00 0.00 C ATOM 362 O GLN A 27 -20.303 -8.730 -5.296 1.00 0.00 O ATOM 363 CB GLN A 27 -21.212 -11.720 -5.996 1.00 0.00 C ATOM 364 CG GLN A 27 -21.460 -12.365 -7.350 1.00 0.00 C ATOM 365 CD GLN A 27 -22.791 -11.960 -7.955 1.00 0.00 C ATOM 366 OE1 GLN A 27 -23.671 -11.449 -7.262 1.00 0.00 O ATOM 367 NE2 GLN A 27 -22.944 -12.188 -9.254 1.00 0.00 N ATOM 0 H GLN A 27 -19.162 -12.900 -5.308 1.00 0.00 H new ATOM 0 HA GLN A 27 -19.588 -10.618 -6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.271 -12.485 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -22.006 -11.000 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -20.656 -12.089 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -21.429 -13.449 -7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -22.188 -12.614 -9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.818 -11.937 -9.716 1.00 0.00 H new ATOM 376 N ASP A 28 -19.643 -10.117 -3.652 1.00 0.00 N ATOM 377 CA ASP A 28 -19.693 -9.091 -2.617 1.00 0.00 C ATOM 378 C ASP A 28 -18.644 -8.011 -2.869 1.00 0.00 C ATOM 379 O ASP A 28 -18.940 -6.818 -2.803 1.00 0.00 O ATOM 380 CB ASP A 28 -19.479 -9.717 -1.239 1.00 0.00 C ATOM 381 CG ASP A 28 -20.401 -10.894 -0.988 1.00 0.00 C ATOM 382 OD1 ASP A 28 -20.169 -11.968 -1.584 1.00 0.00 O ATOM 383 OD2 ASP A 28 -21.354 -10.743 -0.197 1.00 0.00 O ATOM 0 H ASP A 28 -19.353 -11.037 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.679 -8.627 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.443 -10.045 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.642 -8.961 -0.471 1.00 0.00 H new ATOM 388 N ILE A 29 -17.420 -8.439 -3.162 1.00 0.00 N ATOM 389 CA ILE A 29 -16.328 -7.509 -3.427 1.00 0.00 C ATOM 390 C ILE A 29 -16.571 -6.720 -4.713 1.00 0.00 C ATOM 391 O ILE A 29 -15.905 -5.716 -4.969 1.00 0.00 O ATOM 392 CB ILE A 29 -14.977 -8.244 -3.534 1.00 0.00 C ATOM 393 CG1 ILE A 29 -14.740 -9.105 -2.291 1.00 0.00 C ATOM 394 CG2 ILE A 29 -13.840 -7.248 -3.720 1.00 0.00 C ATOM 395 CD1 ILE A 29 -14.549 -8.300 -1.022 1.00 0.00 C ATOM 0 H ILE A 29 -17.160 -9.423 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.292 -6.818 -2.585 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.006 -8.897 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.586 -9.779 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.859 -9.727 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.894 -7.785 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.004 -6.675 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.807 -6.570 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.386 -8.977 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.685 -7.645 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.439 -7.698 -0.835 1.00 0.00 H new ATOM 407 N ALA A 30 -17.524 -7.177 -5.521 1.00 0.00 N ATOM 408 CA ALA A 30 -17.845 -6.508 -6.776 1.00 0.00 C ATOM 409 C ALA A 30 -18.761 -5.311 -6.546 1.00 0.00 C ATOM 410 O ALA A 30 -18.776 -4.369 -7.340 1.00 0.00 O ATOM 411 CB ALA A 30 -18.489 -7.490 -7.744 1.00 0.00 C ATOM 0 H ALA A 30 -18.086 -8.006 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.916 -6.139 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.724 -6.979 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.799 -8.310 -7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.405 -7.885 -7.306 1.00 0.00 H new ATOM 417 N GLN A 31 -19.526 -5.350 -5.458 1.00 0.00 N ATOM 418 CA GLN A 31 -20.444 -4.265 -5.131 1.00 0.00 C ATOM 419 C GLN A 31 -20.090 -3.636 -3.783 1.00 0.00 C ATOM 420 O GLN A 31 -19.783 -4.345 -2.824 1.00 0.00 O ATOM 421 CB GLN A 31 -21.884 -4.782 -5.102 1.00 0.00 C ATOM 422 CG GLN A 31 -22.467 -5.035 -6.481 1.00 0.00 C ATOM 423 CD GLN A 31 -23.912 -4.593 -6.595 1.00 0.00 C ATOM 424 OE1 GLN A 31 -24.215 -3.567 -7.205 1.00 0.00 O ATOM 425 NE2 GLN A 31 -24.816 -5.367 -6.004 1.00 0.00 N ATOM 0 H GLN A 31 -19.528 -6.120 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 31 -20.353 -3.500 -5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.917 -5.708 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -22.510 -4.059 -4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -21.870 -4.508 -7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -22.397 -6.098 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -24.521 -6.209 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -25.805 -5.119 -6.045 1.00 0.00 H new ATOM 434 N PRO A 32 -20.126 -2.292 -3.688 1.00 0.00 N ATOM 435 CA PRO A 32 -19.806 -1.577 -2.448 1.00 0.00 C ATOM 436 C PRO A 32 -20.912 -1.689 -1.399 1.00 0.00 C ATOM 437 O PRO A 32 -20.773 -1.179 -0.287 1.00 0.00 O ATOM 438 CB PRO A 32 -19.645 -0.113 -2.893 1.00 0.00 C ATOM 439 CG PRO A 32 -19.705 -0.128 -4.387 1.00 0.00 C ATOM 440 CD PRO A 32 -20.473 -1.360 -4.766 1.00 0.00 C ATOM 0 HA PRO A 32 -18.917 -1.992 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -20.436 0.511 -2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.698 0.299 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -20.197 0.768 -4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.703 -0.147 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.546 -1.172 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.175 -1.740 -5.743 1.00 0.00 H new ATOM 448 N SER A 33 -22.010 -2.353 -1.753 1.00 0.00 N ATOM 449 CA SER A 33 -23.132 -2.518 -0.834 1.00 0.00 C ATOM 450 C SER A 33 -23.038 -3.840 -0.076 1.00 0.00 C ATOM 451 O SER A 33 -24.057 -4.447 0.256 1.00 0.00 O ATOM 452 CB SER A 33 -24.455 -2.450 -1.597 1.00 0.00 C ATOM 453 OG SER A 33 -25.554 -2.352 -0.708 1.00 0.00 O ATOM 0 H SER A 33 -22.146 -2.784 -2.667 1.00 0.00 H new ATOM 0 HA SER A 33 -23.092 -1.705 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 33 -24.448 -1.590 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 33 -24.565 -3.338 -2.219 1.00 0.00 H new ATOM 0 HG SER A 33 -25.494 -3.061 -0.035 1.00 0.00 H new ATOM 459 N THR A 34 -21.814 -4.280 0.198 1.00 0.00 N ATOM 460 CA THR A 34 -21.596 -5.528 0.919 1.00 0.00 C ATOM 461 C THR A 34 -20.471 -5.376 1.937 1.00 0.00 C ATOM 462 O THR A 34 -19.458 -4.732 1.667 1.00 0.00 O ATOM 463 CB THR A 34 -21.266 -6.658 -0.059 1.00 0.00 C ATOM 464 OG1 THR A 34 -19.905 -6.602 -0.448 1.00 0.00 O ATOM 465 CG2 THR A 34 -22.106 -6.627 -1.318 1.00 0.00 C ATOM 0 H THR A 34 -20.959 -3.791 -0.068 1.00 0.00 H new ATOM 0 HA THR A 34 -22.514 -5.776 1.451 1.00 0.00 H new ATOM 0 HB THR A 34 -21.486 -7.579 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.847 -6.413 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.820 -7.455 -1.967 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.160 -6.719 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.944 -5.684 -1.840 1.00 0.00 H new ATOM 473 N THR A 35 -20.656 -5.973 3.112 1.00 0.00 N ATOM 474 CA THR A 35 -19.655 -5.904 4.171 1.00 0.00 C ATOM 475 C THR A 35 -18.315 -6.451 3.691 1.00 0.00 C ATOM 476 O THR A 35 -17.258 -5.913 4.021 1.00 0.00 O ATOM 477 CB THR A 35 -20.128 -6.684 5.399 1.00 0.00 C ATOM 478 OG1 THR A 35 -21.514 -6.488 5.614 1.00 0.00 O ATOM 479 CG2 THR A 35 -19.406 -6.294 6.670 1.00 0.00 C ATOM 0 H THR A 35 -21.489 -6.509 3.354 1.00 0.00 H new ATOM 0 HA THR A 35 -19.522 -4.857 4.443 1.00 0.00 H new ATOM 0 HB THR A 35 -19.906 -7.729 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.798 -6.996 6.402 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.789 -6.885 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.338 -6.481 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.569 -5.235 6.871 1.00 0.00 H new ATOM 487 N LYS A 36 -18.369 -7.521 2.906 1.00 0.00 N ATOM 488 CA LYS A 36 -17.161 -8.143 2.373 1.00 0.00 C ATOM 489 C LYS A 36 -16.364 -7.149 1.534 1.00 0.00 C ATOM 490 O LYS A 36 -15.140 -7.240 1.444 1.00 0.00 O ATOM 491 CB LYS A 36 -17.530 -9.366 1.532 1.00 0.00 C ATOM 492 CG LYS A 36 -16.340 -10.242 1.171 1.00 0.00 C ATOM 493 CD LYS A 36 -15.747 -10.917 2.396 1.00 0.00 C ATOM 494 CE LYS A 36 -14.234 -11.014 2.296 1.00 0.00 C ATOM 495 NZ LYS A 36 -13.587 -9.673 2.314 1.00 0.00 N ATOM 0 H LYS A 36 -19.237 -7.977 2.624 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.539 -8.460 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.258 -9.965 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.016 -9.032 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.651 -11.000 0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.576 -9.636 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.019 -10.356 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.171 -11.915 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.853 -11.611 3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.964 -11.535 1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.893 -9.612 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.311 -8.937 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.105 -9.532 3.225 1.00 0.00 H new ATOM 509 N TYR A 37 -17.065 -6.198 0.925 1.00 0.00 N ATOM 510 CA TYR A 37 -16.423 -5.184 0.096 1.00 0.00 C ATOM 511 C TYR A 37 -15.686 -4.164 0.960 1.00 0.00 C ATOM 512 O TYR A 37 -14.469 -4.009 0.854 1.00 0.00 O ATOM 513 CB TYR A 37 -17.463 -4.479 -0.778 1.00 0.00 C ATOM 514 CG TYR A 37 -16.893 -3.361 -1.624 1.00 0.00 C ATOM 515 CD1 TYR A 37 -16.564 -2.135 -1.059 1.00 0.00 C ATOM 516 CD2 TYR A 37 -16.685 -3.532 -2.987 1.00 0.00 C ATOM 517 CE1 TYR A 37 -16.045 -1.111 -1.828 1.00 0.00 C ATOM 518 CE2 TYR A 37 -16.166 -2.512 -3.763 1.00 0.00 C ATOM 519 CZ TYR A 37 -15.849 -1.304 -3.180 1.00 0.00 C ATOM 520 OH TYR A 37 -15.331 -0.287 -3.948 1.00 0.00 O ATOM 0 H TYR A 37 -18.079 -6.108 0.990 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.696 -5.679 -0.547 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.932 -5.214 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.247 -4.074 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.716 -1.980 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.933 -4.477 -3.448 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.794 -0.164 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.010 -2.661 -4.821 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.255 -0.586 -4.878 1.00 0.00 H new ATOM 530 N GLN A 38 -16.433 -3.470 1.812 1.00 0.00 N ATOM 531 CA GLN A 38 -15.852 -2.464 2.694 1.00 0.00 C ATOM 532 C GLN A 38 -14.800 -3.081 3.610 1.00 0.00 C ATOM 533 O GLN A 38 -13.838 -2.419 4.001 1.00 0.00 O ATOM 534 CB GLN A 38 -16.946 -1.798 3.531 1.00 0.00 C ATOM 535 CG GLN A 38 -17.539 -0.557 2.883 1.00 0.00 C ATOM 536 CD GLN A 38 -18.863 -0.152 3.502 1.00 0.00 C ATOM 537 OE1 GLN A 38 -18.919 0.262 4.660 1.00 0.00 O ATOM 538 NE2 GLN A 38 -19.937 -0.272 2.731 1.00 0.00 N ATOM 0 H GLN A 38 -17.442 -3.586 1.911 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.368 -1.710 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -17.743 -2.519 3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -16.534 -1.528 4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -16.833 0.268 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -17.681 -0.740 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.843 -0.620 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -20.856 -0.016 3.093 1.00 0.00 H new ATOM 547 N GLN A 39 -14.989 -4.352 3.950 1.00 0.00 N ATOM 548 CA GLN A 39 -14.057 -5.057 4.822 1.00 0.00 C ATOM 549 C GLN A 39 -12.655 -5.079 4.220 1.00 0.00 C ATOM 550 O GLN A 39 -11.683 -4.693 4.869 1.00 0.00 O ATOM 551 CB GLN A 39 -14.542 -6.487 5.072 1.00 0.00 C ATOM 552 CG GLN A 39 -15.311 -6.648 6.373 1.00 0.00 C ATOM 553 CD GLN A 39 -14.454 -7.201 7.493 1.00 0.00 C ATOM 554 OE1 GLN A 39 -13.346 -7.685 7.263 1.00 0.00 O ATOM 555 NE2 GLN A 39 -14.964 -7.132 8.718 1.00 0.00 N ATOM 0 H GLN A 39 -15.779 -4.915 3.635 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.014 -4.524 5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -15.178 -6.797 4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.682 -7.157 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.715 -5.681 6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.160 -7.312 6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.887 -6.723 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.433 -7.488 9.512 1.00 0.00 H new ATOM 564 N THR A 40 -12.558 -5.532 2.974 1.00 0.00 N ATOM 565 CA THR A 40 -11.275 -5.605 2.285 1.00 0.00 C ATOM 566 C THR A 40 -10.646 -4.221 2.154 1.00 0.00 C ATOM 567 O THR A 40 -9.452 -4.044 2.396 1.00 0.00 O ATOM 568 CB THR A 40 -11.449 -6.230 0.900 1.00 0.00 C ATOM 569 OG1 THR A 40 -12.528 -7.149 0.896 1.00 0.00 O ATOM 570 CG2 THR A 40 -10.219 -6.966 0.416 1.00 0.00 C ATOM 0 H THR A 40 -13.352 -5.854 2.421 1.00 0.00 H new ATOM 0 HA THR A 40 -10.610 -6.232 2.879 1.00 0.00 H new ATOM 0 HB THR A 40 -11.640 -5.393 0.228 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.372 -6.662 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.411 -7.385 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.379 -6.273 0.360 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.980 -7.771 1.111 1.00 0.00 H new ATOM 578 N LYS A 41 -11.459 -3.242 1.770 1.00 0.00 N ATOM 579 CA LYS A 41 -10.983 -1.873 1.606 1.00 0.00 C ATOM 580 C LYS A 41 -10.410 -1.333 2.913 1.00 0.00 C ATOM 581 O LYS A 41 -9.258 -0.902 2.966 1.00 0.00 O ATOM 582 CB LYS A 41 -12.121 -0.970 1.124 1.00 0.00 C ATOM 583 CG LYS A 41 -11.645 0.347 0.533 1.00 0.00 C ATOM 584 CD LYS A 41 -12.815 1.231 0.131 1.00 0.00 C ATOM 585 CE LYS A 41 -13.132 1.096 -1.348 1.00 0.00 C ATOM 586 NZ LYS A 41 -13.756 2.332 -1.897 1.00 0.00 N ATOM 0 H LYS A 41 -12.450 -3.371 1.567 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.190 -1.879 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.705 -1.505 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.788 -0.763 1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.025 0.871 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.019 0.151 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.693 0.963 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.583 2.271 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.216 0.877 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.804 0.252 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.957 2.199 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.643 2.528 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.104 3.133 -1.776 1.00 0.00 H new ATOM 600 N ARG A 42 -11.222 -1.359 3.963 1.00 0.00 N ATOM 601 CA ARG A 42 -10.799 -0.871 5.271 1.00 0.00 C ATOM 602 C ARG A 42 -9.574 -1.632 5.770 1.00 0.00 C ATOM 603 O ARG A 42 -8.672 -1.051 6.372 1.00 0.00 O ATOM 604 CB ARG A 42 -11.941 -1.003 6.281 1.00 0.00 C ATOM 605 CG ARG A 42 -11.732 -0.186 7.545 1.00 0.00 C ATOM 606 CD ARG A 42 -13.022 -0.047 8.337 1.00 0.00 C ATOM 607 NE ARG A 42 -13.790 1.129 7.934 1.00 0.00 N ATOM 608 CZ ARG A 42 -15.081 1.300 8.203 1.00 0.00 C ATOM 609 NH1 ARG A 42 -15.755 0.374 8.874 1.00 0.00 N ATOM 610 NH2 ARG A 42 -15.703 2.399 7.799 1.00 0.00 N ATOM 0 H ARG A 42 -12.178 -1.713 3.935 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.532 0.181 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.872 -0.692 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.056 -2.053 6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.972 -0.661 8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.356 0.803 7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.630 -0.941 8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.789 0.019 9.400 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.307 1.863 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.283 -0.474 9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.745 0.511 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.191 3.114 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.693 2.530 8.006 1.00 0.00 H new ATOM 624 N SER A 43 -9.550 -2.936 5.516 1.00 0.00 N ATOM 625 CA SER A 43 -8.437 -3.778 5.940 1.00 0.00 C ATOM 626 C SER A 43 -7.128 -3.308 5.314 1.00 0.00 C ATOM 627 O SER A 43 -6.131 -3.113 6.009 1.00 0.00 O ATOM 628 CB SER A 43 -8.700 -5.236 5.561 1.00 0.00 C ATOM 629 OG SER A 43 -7.863 -6.114 6.295 1.00 0.00 O ATOM 0 H SER A 43 -10.289 -3.433 5.018 1.00 0.00 H new ATOM 0 HA SER A 43 -8.349 -3.700 7.024 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.745 -5.481 5.751 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.529 -5.374 4.493 1.00 0.00 H new ATOM 0 HG SER A 43 -8.052 -7.040 6.035 1.00 0.00 H new ATOM 635 N ILE A 44 -7.136 -3.129 3.997 1.00 0.00 N ATOM 636 CA ILE A 44 -5.948 -2.683 3.279 1.00 0.00 C ATOM 637 C ILE A 44 -5.643 -1.219 3.577 1.00 0.00 C ATOM 638 O ILE A 44 -4.502 -0.861 3.871 1.00 0.00 O ATOM 639 CB ILE A 44 -6.110 -2.865 1.757 1.00 0.00 C ATOM 640 CG1 ILE A 44 -6.548 -4.296 1.437 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.809 -2.533 1.039 1.00 0.00 C ATOM 642 CD1 ILE A 44 -7.138 -4.452 0.052 1.00 0.00 C ATOM 0 H ILE A 44 -7.952 -3.286 3.406 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.119 -3.301 3.624 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.881 -2.179 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.689 -4.961 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.284 -4.616 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.941 -2.667 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.534 -1.499 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.019 -3.196 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.426 -5.491 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.016 -3.813 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.397 -4.164 -0.694 1.00 0.00 H new ATOM 654 N GLU A 45 -6.668 -0.377 3.501 1.00 0.00 N ATOM 655 CA GLU A 45 -6.508 1.048 3.764 1.00 0.00 C ATOM 656 C GLU A 45 -5.933 1.283 5.158 1.00 0.00 C ATOM 657 O GLU A 45 -5.233 2.267 5.395 1.00 0.00 O ATOM 658 CB GLU A 45 -7.850 1.769 3.627 1.00 0.00 C ATOM 659 CG GLU A 45 -7.727 3.194 3.111 1.00 0.00 C ATOM 660 CD GLU A 45 -7.895 4.227 4.208 1.00 0.00 C ATOM 661 OE1 GLU A 45 -7.556 3.919 5.370 1.00 0.00 O ATOM 662 OE2 GLU A 45 -8.365 5.344 3.905 1.00 0.00 O ATOM 0 H GLU A 45 -7.619 -0.657 3.259 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.811 1.450 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.490 1.201 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.345 1.785 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.752 3.324 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.478 3.363 2.339 1.00 0.00 H new ATOM 669 N ASN A 46 -6.234 0.371 6.078 1.00 0.00 N ATOM 670 CA ASN A 46 -5.747 0.476 7.448 1.00 0.00 C ATOM 671 C ASN A 46 -4.310 -0.025 7.554 1.00 0.00 C ATOM 672 O ASN A 46 -3.465 0.610 8.185 1.00 0.00 O ATOM 673 CB ASN A 46 -6.651 -0.323 8.390 1.00 0.00 C ATOM 674 CG ASN A 46 -6.218 -0.213 9.840 1.00 0.00 C ATOM 675 OD1 ASN A 46 -5.727 0.827 10.276 1.00 0.00 O ATOM 676 ND2 ASN A 46 -6.399 -1.292 10.593 1.00 0.00 N ATOM 0 H ASN A 46 -6.813 -0.449 5.899 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.767 1.526 7.738 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.677 0.032 8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.647 -1.371 8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.127 -1.279 11.576 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.810 -2.133 10.188 1.00 0.00 H new ATOM 683 N ALA A 47 -4.040 -1.169 6.932 1.00 0.00 N ATOM 684 CA ALA A 47 -2.706 -1.756 6.956 1.00 0.00 C ATOM 685 C ALA A 47 -1.712 -0.893 6.185 1.00 0.00 C ATOM 686 O ALA A 47 -0.554 -0.760 6.580 1.00 0.00 O ATOM 687 CB ALA A 47 -2.740 -3.165 6.383 1.00 0.00 C ATOM 0 H ALA A 47 -4.728 -1.707 6.405 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.376 -1.805 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.737 -3.592 6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.412 -3.784 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.095 -3.130 5.353 1.00 0.00 H new ATOM 693 N LEU A 48 -2.172 -0.311 5.083 1.00 0.00 N ATOM 694 CA LEU A 48 -1.324 0.539 4.256 1.00 0.00 C ATOM 695 C LEU A 48 -1.043 1.869 4.949 1.00 0.00 C ATOM 696 O LEU A 48 0.015 2.468 4.759 1.00 0.00 O ATOM 697 CB LEU A 48 -1.982 0.788 2.897 1.00 0.00 C ATOM 698 CG LEU A 48 -1.723 -0.292 1.845 1.00 0.00 C ATOM 699 CD1 LEU A 48 -2.456 0.035 0.553 1.00 0.00 C ATOM 700 CD2 LEU A 48 -0.230 -0.438 1.591 1.00 0.00 C ATOM 0 H LEU A 48 -3.128 -0.412 4.742 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.377 0.022 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.058 0.881 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.629 1.744 2.509 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.103 -1.241 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.260 -0.744 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.527 0.090 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.107 0.993 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.062 -1.210 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.173 0.510 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.271 -0.718 2.518 1.00 0.00 H new ATOM 712 N ASN A 49 -1.999 2.325 5.752 1.00 0.00 N ATOM 713 CA ASN A 49 -1.857 3.585 6.473 1.00 0.00 C ATOM 714 C ASN A 49 -0.637 3.553 7.390 1.00 0.00 C ATOM 715 O ASN A 49 0.258 4.390 7.276 1.00 0.00 O ATOM 716 CB ASN A 49 -3.118 3.873 7.290 1.00 0.00 C ATOM 717 CG ASN A 49 -3.555 5.321 7.188 1.00 0.00 C ATOM 718 OD1 ASN A 49 -3.305 6.122 8.089 1.00 0.00 O ATOM 719 ND2 ASN A 49 -4.211 5.665 6.086 1.00 0.00 N ATOM 0 H ASN A 49 -2.881 1.841 5.920 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.717 4.381 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.926 3.227 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.935 3.624 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.529 6.626 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.397 4.968 5.364 1.00 0.00 H new ATOM 726 N GLN A 50 -0.611 2.584 8.299 1.00 0.00 N ATOM 727 CA GLN A 50 0.498 2.445 9.236 1.00 0.00 C ATOM 728 C GLN A 50 1.803 2.146 8.503 1.00 0.00 C ATOM 729 O GLN A 50 2.887 2.465 8.992 1.00 0.00 O ATOM 730 CB GLN A 50 0.202 1.337 10.248 1.00 0.00 C ATOM 731 CG GLN A 50 -0.109 -0.007 9.608 1.00 0.00 C ATOM 732 CD GLN A 50 -1.106 -0.817 10.412 1.00 0.00 C ATOM 733 OE1 GLN A 50 -2.275 -0.928 10.043 1.00 0.00 O ATOM 734 NE2 GLN A 50 -0.647 -1.390 11.518 1.00 0.00 N ATOM 0 H GLN A 50 -1.345 1.884 8.407 1.00 0.00 H new ATOM 0 HA GLN A 50 0.611 3.391 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.060 1.224 10.911 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.643 1.639 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.503 0.155 8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.814 -0.577 9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.330 -1.271 11.786 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.271 -1.949 12.100 1.00 0.00 H new ATOM 743 N LEU A 51 1.692 1.530 7.330 1.00 0.00 N ATOM 744 CA LEU A 51 2.865 1.188 6.533 1.00 0.00 C ATOM 745 C LEU A 51 3.609 2.444 6.087 1.00 0.00 C ATOM 746 O LEU A 51 4.828 2.426 5.916 1.00 0.00 O ATOM 747 CB LEU A 51 2.454 0.366 5.310 1.00 0.00 C ATOM 748 CG LEU A 51 3.565 -0.490 4.702 1.00 0.00 C ATOM 749 CD1 LEU A 51 2.983 -1.727 4.038 1.00 0.00 C ATOM 750 CD2 LEU A 51 4.374 0.323 3.702 1.00 0.00 C ATOM 0 H LEU A 51 0.803 1.258 6.911 1.00 0.00 H new ATOM 0 HA LEU A 51 3.534 0.594 7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.627 -0.286 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.079 1.045 4.544 1.00 0.00 H new ATOM 0 HG LEU A 51 4.230 -0.813 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.789 -2.324 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.446 -2.319 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.296 -1.426 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.161 -0.301 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.720 0.674 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.822 1.179 4.207 1.00 0.00 H new ATOM 762 N PHE A 52 2.869 3.531 5.900 1.00 0.00 N ATOM 763 CA PHE A 52 3.458 4.793 5.470 1.00 0.00 C ATOM 764 C PHE A 52 4.147 5.501 6.634 1.00 0.00 C ATOM 765 O PHE A 52 5.331 5.827 6.560 1.00 0.00 O ATOM 766 CB PHE A 52 2.384 5.701 4.871 1.00 0.00 C ATOM 767 CG PHE A 52 1.492 5.001 3.885 1.00 0.00 C ATOM 768 CD1 PHE A 52 2.031 4.209 2.885 1.00 0.00 C ATOM 769 CD2 PHE A 52 0.115 5.136 3.959 1.00 0.00 C ATOM 770 CE1 PHE A 52 1.214 3.563 1.978 1.00 0.00 C ATOM 771 CE2 PHE A 52 -0.708 4.494 3.055 1.00 0.00 C ATOM 772 CZ PHE A 52 -0.158 3.705 2.062 1.00 0.00 C ATOM 0 H PHE A 52 1.859 3.563 6.040 1.00 0.00 H new ATOM 0 HA PHE A 52 4.207 4.574 4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.773 6.109 5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.866 6.545 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.103 4.095 2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.320 5.751 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.647 2.947 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.780 4.608 3.124 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.799 3.201 1.354 1.00 0.00 H new ATOM 782 N ARG A 53 3.397 5.737 7.705 1.00 0.00 N ATOM 783 CA ARG A 53 3.936 6.408 8.884 1.00 0.00 C ATOM 784 C ARG A 53 5.163 5.677 9.424 1.00 0.00 C ATOM 785 O ARG A 53 5.997 6.269 10.107 1.00 0.00 O ATOM 786 CB ARG A 53 2.865 6.506 9.974 1.00 0.00 C ATOM 787 CG ARG A 53 2.449 5.160 10.543 1.00 0.00 C ATOM 788 CD ARG A 53 1.201 5.277 11.402 1.00 0.00 C ATOM 789 NE ARG A 53 1.490 5.843 12.718 1.00 0.00 N ATOM 790 CZ ARG A 53 1.490 7.148 12.985 1.00 0.00 C ATOM 791 NH1 ARG A 53 1.215 8.032 12.032 1.00 0.00 N ATOM 792 NH2 ARG A 53 1.764 7.573 14.211 1.00 0.00 N ATOM 0 H ARG A 53 2.414 5.474 7.782 1.00 0.00 H new ATOM 0 HA ARG A 53 4.240 7.412 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.239 7.133 10.783 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.987 7.005 9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.266 4.461 9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.264 4.749 11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.468 5.902 10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.751 4.292 11.523 1.00 0.00 H new ATOM 0 HE ARG A 53 1.705 5.199 13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.002 7.713 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.217 9.029 12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.975 6.901 14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.764 8.572 14.416 1.00 0.00 H new ATOM 806 N ASN A 54 5.267 4.388 9.114 1.00 0.00 N ATOM 807 CA ASN A 54 6.393 3.581 9.570 1.00 0.00 C ATOM 808 C ASN A 54 7.555 3.657 8.584 1.00 0.00 C ATOM 809 O ASN A 54 8.717 3.527 8.970 1.00 0.00 O ATOM 810 CB ASN A 54 5.962 2.126 9.756 1.00 0.00 C ATOM 811 CG ASN A 54 5.448 1.849 11.156 1.00 0.00 C ATOM 812 OD1 ASN A 54 6.221 1.552 12.066 1.00 0.00 O ATOM 813 ND2 ASN A 54 4.135 1.943 11.333 1.00 0.00 N ATOM 0 H ASN A 54 4.586 3.881 8.549 1.00 0.00 H new ATOM 0 HA ASN A 54 6.728 3.980 10.528 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.184 1.885 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.807 1.470 9.546 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.730 1.766 12.252 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.531 2.192 10.550 1.00 0.00 H new ATOM 820 N SER A 55 7.235 3.867 7.312 1.00 0.00 N ATOM 821 CA SER A 55 8.254 3.958 6.272 1.00 0.00 C ATOM 822 C SER A 55 9.179 5.145 6.518 1.00 0.00 C ATOM 823 O SER A 55 8.904 5.994 7.365 1.00 0.00 O ATOM 824 CB SER A 55 7.598 4.084 4.896 1.00 0.00 C ATOM 825 OG SER A 55 6.968 5.345 4.745 1.00 0.00 O ATOM 0 H SER A 55 6.278 3.977 6.976 1.00 0.00 H new ATOM 0 HA SER A 55 8.849 3.045 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.350 3.954 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.864 3.289 4.765 1.00 0.00 H new ATOM 0 HG SER A 55 6.128 5.354 5.250 1.00 0.00 H new ATOM 831 N SER A 56 10.278 5.197 5.772 1.00 0.00 N ATOM 832 CA SER A 56 11.244 6.281 5.908 1.00 0.00 C ATOM 833 C SER A 56 10.676 7.591 5.369 1.00 0.00 C ATOM 834 O SER A 56 11.070 8.673 5.802 1.00 0.00 O ATOM 835 CB SER A 56 12.540 5.931 5.173 1.00 0.00 C ATOM 836 OG SER A 56 12.428 6.199 3.786 1.00 0.00 O ATOM 0 H SER A 56 10.522 4.501 5.067 1.00 0.00 H new ATOM 0 HA SER A 56 11.459 6.411 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.366 6.506 5.592 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.775 4.878 5.325 1.00 0.00 H new ATOM 0 HG SER A 56 11.503 6.053 3.498 1.00 0.00 H new ATOM 842 N ILE A 57 9.749 7.486 4.421 1.00 0.00 N ATOM 843 CA ILE A 57 9.129 8.662 3.824 1.00 0.00 C ATOM 844 C ILE A 57 7.825 9.014 4.533 1.00 0.00 C ATOM 845 O ILE A 57 6.807 9.279 3.892 1.00 0.00 O ATOM 846 CB ILE A 57 8.848 8.447 2.325 1.00 0.00 C ATOM 847 CG1 ILE A 57 8.062 7.153 2.110 1.00 0.00 C ATOM 848 CG2 ILE A 57 10.151 8.418 1.539 1.00 0.00 C ATOM 849 CD1 ILE A 57 7.503 7.010 0.711 1.00 0.00 C ATOM 0 H ILE A 57 9.411 6.598 4.050 1.00 0.00 H new ATOM 0 HA ILE A 57 9.833 9.486 3.938 1.00 0.00 H new ATOM 0 HB ILE A 57 8.246 9.280 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.712 6.304 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.241 7.113 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.935 8.265 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 57 10.676 9.365 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.777 7.603 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.958 6.069 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.827 7.840 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.320 7.018 -0.010 1.00 0.00 H new ATOM 861 N LYS A 58 7.863 9.014 5.861 1.00 0.00 N ATOM 862 CA LYS A 58 6.686 9.333 6.662 1.00 0.00 C ATOM 863 C LYS A 58 6.605 10.832 6.942 1.00 0.00 C ATOM 864 O LYS A 58 6.474 11.253 8.092 1.00 0.00 O ATOM 865 CB LYS A 58 6.716 8.555 7.979 1.00 0.00 C ATOM 866 CG LYS A 58 7.878 8.935 8.883 1.00 0.00 C ATOM 867 CD LYS A 58 8.250 7.797 9.820 1.00 0.00 C ATOM 868 CE LYS A 58 9.667 7.951 10.347 1.00 0.00 C ATOM 869 NZ LYS A 58 9.950 7.007 11.463 1.00 0.00 N ATOM 0 H LYS A 58 8.697 8.796 6.406 1.00 0.00 H new ATOM 0 HA LYS A 58 5.801 9.042 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.781 8.724 8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.770 7.489 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.741 9.203 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.613 9.817 9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.551 7.769 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.157 6.846 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.376 7.779 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.817 8.975 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.926 7.144 11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.290 7.188 12.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.832 6.029 11.129 1.00 0.00 H new ATOM 883 N SER A 59 6.684 11.632 5.884 1.00 0.00 N ATOM 884 CA SER A 59 6.618 13.082 6.019 1.00 0.00 C ATOM 885 C SER A 59 5.741 13.692 4.931 1.00 0.00 C ATOM 886 O SER A 59 4.816 14.453 5.218 1.00 0.00 O ATOM 887 CB SER A 59 8.023 13.686 5.956 1.00 0.00 C ATOM 888 OG SER A 59 8.020 15.032 6.398 1.00 0.00 O ATOM 0 H SER A 59 6.794 11.301 4.925 1.00 0.00 H new ATOM 0 HA SER A 59 6.174 13.311 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.703 13.099 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.398 13.637 4.934 1.00 0.00 H new ATOM 0 HG SER A 59 8.929 15.394 6.350 1.00 0.00 H new ATOM 894 N TYR A 60 6.037 13.353 3.681 1.00 0.00 N ATOM 895 CA TYR A 60 5.275 13.867 2.549 1.00 0.00 C ATOM 896 C TYR A 60 4.078 12.972 2.244 1.00 0.00 C ATOM 897 O TYR A 60 3.048 13.442 1.762 1.00 0.00 O ATOM 898 CB TYR A 60 6.171 13.979 1.313 1.00 0.00 C ATOM 899 CG TYR A 60 7.467 14.716 1.569 1.00 0.00 C ATOM 900 CD1 TYR A 60 7.473 16.084 1.812 1.00 0.00 C ATOM 901 CD2 TYR A 60 8.682 14.044 1.567 1.00 0.00 C ATOM 902 CE1 TYR A 60 8.655 16.761 2.046 1.00 0.00 C ATOM 903 CE2 TYR A 60 9.868 14.713 1.801 1.00 0.00 C ATOM 904 CZ TYR A 60 9.849 16.072 2.040 1.00 0.00 C ATOM 905 OH TYR A 60 11.028 16.742 2.272 1.00 0.00 O ATOM 0 H TYR A 60 6.799 12.725 3.426 1.00 0.00 H new ATOM 0 HA TYR A 60 4.905 14.858 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.398 12.978 0.948 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.622 14.490 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.539 16.627 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.700 12.981 1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.643 17.825 2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.805 14.175 1.797 1.00 0.00 H new ATOM 0 HH TYR A 60 11.776 16.110 2.234 1.00 0.00 H new ATOM 915 N PHE A 61 4.222 11.682 2.529 1.00 0.00 N ATOM 916 CA PHE A 61 3.150 10.722 2.286 1.00 0.00 C ATOM 917 C PHE A 61 1.876 11.128 3.019 1.00 0.00 C ATOM 918 O PHE A 61 1.792 11.027 4.243 1.00 0.00 O ATOM 919 CB PHE A 61 3.581 9.322 2.728 1.00 0.00 C ATOM 920 CG PHE A 61 2.903 8.218 1.970 1.00 0.00 C ATOM 921 CD1 PHE A 61 1.538 8.010 2.095 1.00 0.00 C ATOM 922 CD2 PHE A 61 3.630 7.387 1.132 1.00 0.00 C ATOM 923 CE1 PHE A 61 0.912 6.995 1.397 1.00 0.00 C ATOM 924 CE2 PHE A 61 3.008 6.370 0.432 1.00 0.00 C ATOM 925 CZ PHE A 61 1.647 6.174 0.565 1.00 0.00 C ATOM 0 H PHE A 61 5.069 11.277 2.928 1.00 0.00 H new ATOM 0 HA PHE A 61 2.943 10.712 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.660 9.227 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.370 9.205 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.958 8.648 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.694 7.536 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.152 6.844 1.502 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.585 5.729 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.159 5.380 0.019 1.00 0.00 H new ATOM 935 N SER A 62 0.886 11.590 2.262 1.00 0.00 N ATOM 936 CA SER A 62 -0.385 12.014 2.839 1.00 0.00 C ATOM 937 C SER A 62 -1.244 10.809 3.209 1.00 0.00 C ATOM 938 O SER A 62 -1.590 10.615 4.374 1.00 0.00 O ATOM 939 CB SER A 62 -1.140 12.911 1.858 1.00 0.00 C ATOM 940 OG SER A 62 -0.786 14.272 2.035 1.00 0.00 O ATOM 0 H SER A 62 0.939 11.680 1.247 1.00 0.00 H new ATOM 0 HA SER A 62 -0.173 12.578 3.747 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.919 12.604 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.214 12.790 2.002 1.00 0.00 H new ATOM 0 HG SER A 62 -1.281 14.825 1.395 1.00 0.00 H new ATOM 946 N ASP A 63 -1.583 10.001 2.209 1.00 0.00 N ATOM 947 CA ASP A 63 -2.402 8.814 2.430 1.00 0.00 C ATOM 948 C ASP A 63 -2.585 8.030 1.135 1.00 0.00 C ATOM 949 O ASP A 63 -2.130 8.453 0.072 1.00 0.00 O ATOM 950 CB ASP A 63 -3.767 9.209 2.997 1.00 0.00 C ATOM 951 CG ASP A 63 -4.311 8.177 3.966 1.00 0.00 C ATOM 952 OD1 ASP A 63 -4.831 7.141 3.501 1.00 0.00 O ATOM 953 OD2 ASP A 63 -4.219 8.406 5.190 1.00 0.00 O ATOM 0 H ASP A 63 -1.304 10.146 1.239 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.887 8.177 3.150 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.682 10.170 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.473 9.342 2.177 1.00 0.00 H new ATOM 958 N CYS A 64 -3.254 6.886 1.231 1.00 0.00 N ATOM 959 CA CYS A 64 -3.497 6.043 0.066 1.00 0.00 C ATOM 960 C CYS A 64 -4.979 6.026 -0.293 1.00 0.00 C ATOM 961 O CYS A 64 -5.824 5.675 0.531 1.00 0.00 O ATOM 962 CB CYS A 64 -3.009 4.617 0.331 1.00 0.00 C ATOM 963 SG CYS A 64 -2.255 3.817 -1.106 1.00 0.00 S ATOM 0 H CYS A 64 -3.637 6.521 2.103 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.942 6.459 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.284 4.638 1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.851 4.013 0.670 1.00 0.00 H new ATOM 0 HG CYS A 64 -0.979 4.064 -1.120 1.00 0.00 H new ATOM 969 N GLN A 65 -5.289 6.409 -1.527 1.00 0.00 N ATOM 970 CA GLN A 65 -6.668 6.437 -1.996 1.00 0.00 C ATOM 971 C GLN A 65 -7.011 5.161 -2.756 1.00 0.00 C ATOM 972 O GLN A 65 -6.651 5.006 -3.924 1.00 0.00 O ATOM 973 CB GLN A 65 -6.900 7.656 -2.891 1.00 0.00 C ATOM 974 CG GLN A 65 -8.355 8.086 -2.971 1.00 0.00 C ATOM 975 CD GLN A 65 -8.514 9.527 -3.413 1.00 0.00 C ATOM 976 OE1 GLN A 65 -8.811 10.408 -2.606 1.00 0.00 O ATOM 977 NE2 GLN A 65 -8.319 9.774 -4.703 1.00 0.00 N ATOM 0 H GLN A 65 -4.602 6.705 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.320 6.505 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.304 8.489 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.541 7.432 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.884 7.436 -3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.823 7.956 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.074 9.013 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.414 10.725 -5.060 1.00 0.00 H new ATOM 986 N VAL A 66 -7.707 4.247 -2.087 1.00 0.00 N ATOM 987 CA VAL A 66 -8.096 2.984 -2.701 1.00 0.00 C ATOM 988 C VAL A 66 -9.217 3.190 -3.717 1.00 0.00 C ATOM 989 O VAL A 66 -10.362 3.453 -3.349 1.00 0.00 O ATOM 990 CB VAL A 66 -8.549 1.959 -1.641 1.00 0.00 C ATOM 991 CG1 VAL A 66 -9.761 2.473 -0.877 1.00 0.00 C ATOM 992 CG2 VAL A 66 -8.844 0.612 -2.285 1.00 0.00 C ATOM 0 H VAL A 66 -8.013 4.358 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.216 2.594 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.735 1.822 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.063 1.734 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.506 3.407 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.583 2.646 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.162 -0.096 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.637 0.728 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.945 0.238 -2.774 1.00 0.00 H new ATOM 1002 N LEU A 67 -8.877 3.070 -4.996 1.00 0.00 N ATOM 1003 CA LEU A 67 -9.853 3.243 -6.066 1.00 0.00 C ATOM 1004 C LEU A 67 -10.861 2.098 -6.073 1.00 0.00 C ATOM 1005 O LEU A 67 -12.049 2.302 -5.822 1.00 0.00 O ATOM 1006 CB LEU A 67 -9.147 3.325 -7.421 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.931 4.253 -7.464 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.308 4.252 -8.851 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.324 5.663 -7.054 1.00 0.00 C ATOM 0 H LEU A 67 -7.933 2.854 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.390 4.175 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.830 2.323 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.866 3.659 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.189 3.884 -6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.445 4.917 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.990 3.241 -9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.042 4.597 -9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.448 6.310 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.083 6.042 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.723 5.649 -6.040 1.00 0.00 H new ATOM 1021 N ALA A 68 -10.378 0.893 -6.361 1.00 0.00 N ATOM 1022 CA ALA A 68 -11.238 -0.284 -6.399 1.00 0.00 C ATOM 1023 C ALA A 68 -10.413 -1.564 -6.492 1.00 0.00 C ATOM 1024 O ALA A 68 -9.183 -1.526 -6.455 1.00 0.00 O ATOM 1025 CB ALA A 68 -12.205 -0.192 -7.569 1.00 0.00 C ATOM 0 H ALA A 68 -9.397 0.707 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.809 -0.317 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.841 -1.077 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.824 0.698 -7.460 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.643 -0.131 -8.501 1.00 0.00 H new ATOM 1031 N PHE A 69 -11.098 -2.696 -6.614 1.00 0.00 N ATOM 1032 CA PHE A 69 -10.430 -3.988 -6.713 1.00 0.00 C ATOM 1033 C PHE A 69 -10.654 -4.611 -8.088 1.00 0.00 C ATOM 1034 O PHE A 69 -11.768 -4.594 -8.613 1.00 0.00 O ATOM 1035 CB PHE A 69 -10.938 -4.936 -5.625 1.00 0.00 C ATOM 1036 CG PHE A 69 -10.562 -4.510 -4.234 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -9.231 -4.437 -3.853 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -11.539 -4.184 -3.307 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -8.883 -4.045 -2.574 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -11.197 -3.793 -2.027 1.00 0.00 C ATOM 1041 CZ PHE A 69 -9.867 -3.724 -1.660 1.00 0.00 C ATOM 0 H PHE A 69 -12.116 -2.745 -6.647 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.361 -3.826 -6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.024 -5.006 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.541 -5.934 -5.810 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.458 -4.689 -4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.580 -4.236 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.843 -3.990 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.968 -3.542 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.597 -3.419 -0.660 1.00 0.00 H new ATOM 1051 N ARG A 70 -9.590 -5.159 -8.665 1.00 0.00 N ATOM 1052 CA ARG A 70 -9.672 -5.786 -9.978 1.00 0.00 C ATOM 1053 C ARG A 70 -10.038 -7.263 -9.854 1.00 0.00 C ATOM 1054 O ARG A 70 -9.449 -7.993 -9.058 1.00 0.00 O ATOM 1055 CB ARG A 70 -8.343 -5.640 -10.722 1.00 0.00 C ATOM 1056 CG ARG A 70 -7.744 -4.246 -10.629 1.00 0.00 C ATOM 1057 CD ARG A 70 -8.717 -3.187 -11.121 1.00 0.00 C ATOM 1058 NE ARG A 70 -8.917 -3.257 -12.566 1.00 0.00 N ATOM 1059 CZ ARG A 70 -8.054 -2.775 -13.458 1.00 0.00 C ATOM 1060 NH1 ARG A 70 -6.933 -2.188 -13.058 1.00 0.00 N ATOM 1061 NH2 ARG A 70 -8.312 -2.881 -14.755 1.00 0.00 N ATOM 0 H ARG A 70 -8.661 -5.181 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.455 -5.281 -10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.630 -6.360 -10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.494 -5.892 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.468 -4.036 -9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.828 -4.202 -11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.675 -3.312 -10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.343 -2.199 -10.854 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.768 -3.701 -12.912 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.728 -2.104 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.276 -1.821 -13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.172 -3.332 -15.069 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.651 -2.512 -15.438 1.00 0.00 H new ATOM 1075 N SER A 71 -11.014 -7.693 -10.646 1.00 0.00 N ATOM 1076 CA SER A 71 -11.460 -9.082 -10.625 1.00 0.00 C ATOM 1077 C SER A 71 -10.632 -9.934 -11.582 1.00 0.00 C ATOM 1078 O SER A 71 -10.709 -9.771 -12.799 1.00 0.00 O ATOM 1079 CB SER A 71 -12.941 -9.171 -10.996 1.00 0.00 C ATOM 1080 OG SER A 71 -13.459 -10.461 -10.722 1.00 0.00 O ATOM 0 H SER A 71 -11.512 -7.100 -11.310 1.00 0.00 H new ATOM 0 HA SER A 71 -11.323 -9.465 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.504 -8.423 -10.438 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.068 -8.942 -12.054 1.00 0.00 H new ATOM 0 HG SER A 71 -14.408 -10.491 -10.966 1.00 0.00 H new ATOM 1154 N ASN A 77 -9.358 -16.337 -7.149 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.802 -16.457 -5.805 1.00 0.00 C ATOM 1156 C ASN A 77 -7.984 -15.220 -5.434 1.00 0.00 C ATOM 1157 O ASN A 77 -7.781 -14.932 -4.255 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.929 -17.708 -5.701 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.739 -18.164 -4.268 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -6.612 -18.344 -3.806 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.843 -18.354 -3.556 1.00 0.00 N ATOM 0 HA ASN A 77 -9.633 -16.541 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.383 -18.513 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.955 -17.506 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.777 -18.661 -2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.757 -18.193 -3.979 1.00 0.00 H new ATOM 1168 N HIS A 78 -7.516 -14.494 -6.445 1.00 0.00 N ATOM 1169 CA HIS A 78 -6.723 -13.292 -6.217 1.00 0.00 C ATOM 1170 C HIS A 78 -7.559 -12.037 -6.446 1.00 0.00 C ATOM 1171 O HIS A 78 -8.693 -12.112 -6.918 1.00 0.00 O ATOM 1172 CB HIS A 78 -5.502 -13.279 -7.138 1.00 0.00 C ATOM 1173 CG HIS A 78 -4.773 -14.585 -7.186 1.00 0.00 C ATOM 1174 ND1 HIS A 78 -4.596 -15.537 -6.239 1.00 0.00 N flip ATOM 1175 CD2 HIS A 78 -4.116 -15.041 -8.311 1.00 0.00 C flip ATOM 1176 CE1 HIS A 78 -3.846 -16.540 -6.803 1.00 0.00 C flip ATOM 1177 NE2 HIS A 78 -3.570 -16.217 -8.053 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.672 -14.717 -7.428 1.00 0.00 H new ATOM 0 HA HIS A 78 -6.388 -13.300 -5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -5.821 -13.013 -8.146 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -4.815 -12.501 -6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.057 -14.519 -9.254 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.533 -17.446 -6.305 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -3.027 -16.779 -8.709 1.00 0.00 H new ATOM 1186 N THR A 79 -6.990 -10.884 -6.109 1.00 0.00 N ATOM 1187 CA THR A 79 -7.683 -9.611 -6.279 1.00 0.00 C ATOM 1188 C THR A 79 -6.689 -8.482 -6.534 1.00 0.00 C ATOM 1189 O THR A 79 -5.933 -8.095 -5.643 1.00 0.00 O ATOM 1190 CB THR A 79 -8.526 -9.296 -5.041 1.00 0.00 C ATOM 1191 OG1 THR A 79 -9.468 -10.326 -4.802 1.00 0.00 O ATOM 1192 CG2 THR A 79 -9.287 -7.993 -5.151 1.00 0.00 C ATOM 0 H THR A 79 -6.052 -10.805 -5.717 1.00 0.00 H new ATOM 0 HA THR A 79 -8.340 -9.695 -7.145 1.00 0.00 H new ATOM 0 HB THR A 79 -7.814 -9.213 -4.219 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.080 -10.990 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.864 -7.830 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.584 -7.171 -5.287 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.963 -8.037 -6.005 1.00 0.00 H new ATOM 1200 N GLY A 80 -6.697 -7.959 -7.755 1.00 0.00 N ATOM 1201 CA GLY A 80 -5.793 -6.880 -8.105 1.00 0.00 C ATOM 1202 C GLY A 80 -6.109 -5.596 -7.363 1.00 0.00 C ATOM 1203 O GLY A 80 -7.151 -4.981 -7.591 1.00 0.00 O ATOM 0 H GLY A 80 -7.313 -8.263 -8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.769 -7.182 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.847 -6.699 -9.178 1.00 0.00 H new ATOM 1207 N VAL A 81 -5.208 -5.191 -6.473 1.00 0.00 N ATOM 1208 CA VAL A 81 -5.400 -3.973 -5.697 1.00 0.00 C ATOM 1209 C VAL A 81 -5.188 -2.732 -6.558 1.00 0.00 C ATOM 1210 O VAL A 81 -4.212 -2.638 -7.301 1.00 0.00 O ATOM 1211 CB VAL A 81 -4.440 -3.918 -4.490 1.00 0.00 C ATOM 1212 CG1 VAL A 81 -4.698 -2.675 -3.649 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -4.572 -5.178 -3.649 1.00 0.00 C ATOM 0 H VAL A 81 -4.340 -5.688 -6.272 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.428 -3.988 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.418 -3.862 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.010 -2.658 -2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.546 -1.785 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.724 -2.691 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.888 -5.123 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.595 -5.266 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.327 -6.049 -4.257 1.00 0.00 H new ATOM 1223 N ASP A 82 -6.108 -1.781 -6.445 1.00 0.00 N ATOM 1224 CA ASP A 82 -6.024 -0.539 -7.205 1.00 0.00 C ATOM 1225 C ASP A 82 -6.015 0.660 -6.263 1.00 0.00 C ATOM 1226 O ASP A 82 -7.032 1.329 -6.080 1.00 0.00 O ATOM 1227 CB ASP A 82 -7.198 -0.435 -8.182 1.00 0.00 C ATOM 1228 CG ASP A 82 -6.777 0.101 -9.537 1.00 0.00 C ATOM 1229 OD1 ASP A 82 -6.000 -0.587 -10.231 1.00 0.00 O ATOM 1230 OD2 ASP A 82 -7.225 1.208 -9.902 1.00 0.00 O ATOM 0 H ASP A 82 -6.922 -1.846 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.094 -0.542 -7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.650 -1.419 -8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.963 0.216 -7.759 1.00 0.00 H new ATOM 1235 N SER A 83 -4.859 0.921 -5.661 1.00 0.00 N ATOM 1236 CA SER A 83 -4.716 2.031 -4.729 1.00 0.00 C ATOM 1237 C SER A 83 -3.983 3.201 -5.378 1.00 0.00 C ATOM 1238 O SER A 83 -3.532 3.109 -6.519 1.00 0.00 O ATOM 1239 CB SER A 83 -3.969 1.572 -3.476 1.00 0.00 C ATOM 1240 OG SER A 83 -3.062 0.525 -3.776 1.00 0.00 O ATOM 0 H SER A 83 -4.008 0.378 -5.803 1.00 0.00 H new ATOM 0 HA SER A 83 -5.713 2.369 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.427 2.413 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.684 1.234 -2.726 1.00 0.00 H new ATOM 0 HG SER A 83 -3.128 -0.172 -3.090 1.00 0.00 H new ATOM 1246 N LEU A 84 -3.872 4.302 -4.640 1.00 0.00 N ATOM 1247 CA LEU A 84 -3.198 5.495 -5.141 1.00 0.00 C ATOM 1248 C LEU A 84 -2.266 6.078 -4.083 1.00 0.00 C ATOM 1249 O LEU A 84 -2.715 6.727 -3.138 1.00 0.00 O ATOM 1250 CB LEU A 84 -4.230 6.545 -5.561 1.00 0.00 C ATOM 1251 CG LEU A 84 -3.714 7.626 -6.514 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -2.616 8.445 -5.851 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -3.211 7.001 -7.805 1.00 0.00 C ATOM 0 H LEU A 84 -4.240 4.392 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.601 5.211 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.069 6.036 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.617 7.029 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.540 8.295 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.262 9.208 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.010 8.924 -4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.788 7.791 -5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.848 7.784 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.399 6.309 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.025 6.461 -8.289 1.00 0.00 H new ATOM 1265 N CYS A 85 -0.966 5.849 -4.249 1.00 0.00 N ATOM 1266 CA CYS A 85 0.023 6.360 -3.308 1.00 0.00 C ATOM 1267 C CYS A 85 0.090 7.883 -3.379 1.00 0.00 C ATOM 1268 O CYS A 85 1.010 8.449 -3.966 1.00 0.00 O ATOM 1269 CB CYS A 85 1.400 5.756 -3.598 1.00 0.00 C ATOM 1270 SG CYS A 85 1.643 4.110 -2.890 1.00 0.00 S ATOM 0 H CYS A 85 -0.575 5.314 -5.025 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.279 6.071 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.541 5.701 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.168 6.425 -3.210 1.00 0.00 H new ATOM 0 HG CYS A 85 2.142 4.221 -1.695 1.00 0.00 H new ATOM 1276 N ASN A 86 -0.902 8.537 -2.782 1.00 0.00 N ATOM 1277 CA ASN A 86 -0.972 9.995 -2.777 1.00 0.00 C ATOM 1278 C ASN A 86 0.130 10.596 -1.910 1.00 0.00 C ATOM 1279 O ASN A 86 0.513 10.024 -0.890 1.00 0.00 O ATOM 1280 CB ASN A 86 -2.341 10.455 -2.274 1.00 0.00 C ATOM 1281 CG ASN A 86 -3.246 10.922 -3.397 1.00 0.00 C ATOM 1282 OD1 ASN A 86 -4.144 10.047 -3.837 1.00 0.00 O flip ATOM 1283 ND2 ASN A 86 -3.141 12.056 -3.864 1.00 0.00 N flip ATOM 0 H ASN A 86 -1.671 8.078 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.829 10.343 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.823 9.635 -1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.208 11.266 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.437 12.696 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.758 12.356 -4.619 1.00 0.00 H new ATOM 1290 N PHE A 87 0.630 11.757 -2.321 1.00 0.00 N ATOM 1291 CA PHE A 87 1.684 12.441 -1.578 1.00 0.00 C ATOM 1292 C PHE A 87 1.356 13.922 -1.409 1.00 0.00 C ATOM 1293 O PHE A 87 0.703 14.524 -2.261 1.00 0.00 O ATOM 1294 CB PHE A 87 3.028 12.277 -2.289 1.00 0.00 C ATOM 1295 CG PHE A 87 3.779 11.046 -1.870 1.00 0.00 C ATOM 1296 CD1 PHE A 87 3.415 9.800 -2.352 1.00 0.00 C ATOM 1297 CD2 PHE A 87 4.846 11.135 -0.990 1.00 0.00 C ATOM 1298 CE1 PHE A 87 4.102 8.664 -1.966 1.00 0.00 C ATOM 1299 CE2 PHE A 87 5.536 10.005 -0.600 1.00 0.00 C ATOM 1300 CZ PHE A 87 5.163 8.767 -1.088 1.00 0.00 C ATOM 0 H PHE A 87 0.323 12.244 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 87 1.751 11.989 -0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.859 12.242 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.644 13.154 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.585 9.715 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.141 12.100 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.810 7.698 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.366 10.088 0.086 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.701 7.881 -0.783 1.00 0.00 H new ATOM 1310 N SER A 88 1.812 14.501 -0.302 1.00 0.00 N ATOM 1311 CA SER A 88 1.567 15.910 -0.016 1.00 0.00 C ATOM 1312 C SER A 88 2.087 16.799 -1.145 1.00 0.00 C ATOM 1313 O SER A 88 3.010 16.422 -1.866 1.00 0.00 O ATOM 1314 CB SER A 88 2.228 16.305 1.305 1.00 0.00 C ATOM 1315 OG SER A 88 1.329 16.155 2.391 1.00 0.00 O ATOM 0 H SER A 88 2.354 14.015 0.412 1.00 0.00 H new ATOM 0 HA SER A 88 0.490 16.054 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.111 15.688 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.568 17.339 1.250 1.00 0.00 H new ATOM 0 HG SER A 88 0.656 15.478 2.168 1.00 0.00 H new ATOM 1321 N PRO A 89 1.498 17.996 -1.312 1.00 0.00 N ATOM 1322 CA PRO A 89 1.908 18.938 -2.358 1.00 0.00 C ATOM 1323 C PRO A 89 3.371 19.345 -2.229 1.00 0.00 C ATOM 1324 O PRO A 89 4.039 19.624 -3.225 1.00 0.00 O ATOM 1325 CB PRO A 89 0.997 20.150 -2.141 1.00 0.00 C ATOM 1326 CG PRO A 89 -0.155 19.636 -1.346 1.00 0.00 C ATOM 1327 CD PRO A 89 0.391 18.524 -0.497 1.00 0.00 C ATOM 0 HA PRO A 89 1.818 18.498 -3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.519 20.945 -1.609 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.664 20.568 -3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.585 20.424 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.949 19.274 -1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.740 18.888 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.362 17.762 -0.297 1.00 0.00 H new ATOM 1335 N LEU A 90 3.864 19.378 -0.995 1.00 0.00 N ATOM 1336 CA LEU A 90 5.249 19.751 -0.735 1.00 0.00 C ATOM 1337 C LEU A 90 6.210 18.815 -1.459 1.00 0.00 C ATOM 1338 O LEU A 90 7.301 19.219 -1.864 1.00 0.00 O ATOM 1339 CB LEU A 90 5.532 19.727 0.768 1.00 0.00 C ATOM 1340 CG LEU A 90 4.978 20.920 1.550 1.00 0.00 C ATOM 1341 CD1 LEU A 90 3.510 20.702 1.885 1.00 0.00 C ATOM 1342 CD2 LEU A 90 5.787 21.148 2.817 1.00 0.00 C ATOM 0 H LEU A 90 3.325 19.151 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 90 5.403 20.762 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.114 18.812 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.611 19.682 0.919 1.00 0.00 H new ATOM 0 HG LEU A 90 5.059 21.810 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.132 21.560 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.940 20.587 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.405 19.802 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.379 22.000 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.737 20.259 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.826 21.349 2.554 1.00 0.00 H new ATOM 1354 N ALA A 91 5.799 17.562 -1.620 1.00 0.00 N ATOM 1355 CA ALA A 91 6.623 16.568 -2.297 1.00 0.00 C ATOM 1356 C ALA A 91 6.796 16.913 -3.772 1.00 0.00 C ATOM 1357 O ALA A 91 5.837 17.282 -4.450 1.00 0.00 O ATOM 1358 CB ALA A 91 6.013 15.183 -2.144 1.00 0.00 C ATOM 0 H ALA A 91 4.900 17.211 -1.291 1.00 0.00 H new ATOM 0 HA ALA A 91 7.609 16.571 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.639 14.451 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.947 14.929 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.015 15.175 -2.582 1.00 0.00 H new ATOM 1364 N ARG A 92 8.025 16.793 -4.264 1.00 0.00 N ATOM 1365 CA ARG A 92 8.322 17.093 -5.659 1.00 0.00 C ATOM 1366 C ARG A 92 9.586 16.369 -6.114 1.00 0.00 C ATOM 1367 O ARG A 92 10.345 16.882 -6.936 1.00 0.00 O ATOM 1368 CB ARG A 92 8.484 18.602 -5.854 1.00 0.00 C ATOM 1369 CG ARG A 92 7.787 19.133 -7.097 1.00 0.00 C ATOM 1370 CD ARG A 92 8.781 19.662 -8.122 1.00 0.00 C ATOM 1371 NE ARG A 92 8.601 21.089 -8.373 1.00 0.00 N ATOM 1372 CZ ARG A 92 9.056 22.047 -7.567 1.00 0.00 C ATOM 1373 NH1 ARG A 92 9.718 21.734 -6.460 1.00 0.00 N ATOM 1374 NH2 ARG A 92 8.848 23.320 -7.870 1.00 0.00 N ATOM 0 H ARG A 92 8.831 16.490 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 92 7.487 16.743 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.090 19.118 -4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.546 18.840 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.190 18.339 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.098 19.929 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.796 19.481 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.666 19.112 -9.056 1.00 0.00 H new ATOM 0 HE ARG A 92 8.097 21.369 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.881 20.755 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.064 22.472 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.340 23.566 -8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.196 24.054 -7.254 1.00 0.00 H new ATOM 1388 N ARG A 93 9.803 15.173 -5.576 1.00 0.00 N ATOM 1389 CA ARG A 93 10.975 14.379 -5.927 1.00 0.00 C ATOM 1390 C ARG A 93 10.834 12.948 -5.419 1.00 0.00 C ATOM 1391 O ARG A 93 11.821 12.312 -5.049 1.00 0.00 O ATOM 1392 CB ARG A 93 12.240 15.015 -5.350 1.00 0.00 C ATOM 1393 CG ARG A 93 13.521 14.535 -6.014 1.00 0.00 C ATOM 1394 CD ARG A 93 14.575 14.153 -4.987 1.00 0.00 C ATOM 1395 NE ARG A 93 15.841 13.784 -5.615 1.00 0.00 N ATOM 1396 CZ ARG A 93 16.058 12.617 -6.219 1.00 0.00 C ATOM 1397 NH1 ARG A 93 15.095 11.705 -6.280 1.00 0.00 N ATOM 1398 NH2 ARG A 93 17.238 12.363 -6.765 1.00 0.00 N ATOM 0 H ARG A 93 9.183 14.733 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 93 11.053 14.354 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.171 16.098 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.291 14.799 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.303 13.676 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.911 15.319 -6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.738 14.989 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.211 13.319 -4.387 1.00 0.00 H new ATOM 0 HE ARG A 93 16.604 14.460 -5.589 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.184 11.897 -5.863 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.266 10.813 -6.744 1.00 0.00 H new ATOM 0 HH21 ARG A 93 17.980 13.061 -6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 93 17.404 11.469 -7.228 1.00 0.00 H new ATOM 1412 N VAL A 94 9.604 12.448 -5.405 1.00 0.00 N ATOM 1413 CA VAL A 94 9.335 11.091 -4.942 1.00 0.00 C ATOM 1414 C VAL A 94 9.239 10.121 -6.114 1.00 0.00 C ATOM 1415 O VAL A 94 8.152 9.866 -6.633 1.00 0.00 O ATOM 1416 CB VAL A 94 8.032 11.023 -4.125 1.00 0.00 C ATOM 1417 CG1 VAL A 94 7.877 9.654 -3.480 1.00 0.00 C ATOM 1418 CG2 VAL A 94 8.000 12.122 -3.075 1.00 0.00 C ATOM 0 H VAL A 94 8.777 12.962 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 94 10.170 10.804 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 94 7.192 11.177 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.950 9.625 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.849 8.888 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.721 9.467 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.071 12.057 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.847 12.004 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.059 13.094 -3.564 1.00 0.00 H new ATOM 1428 N ASP A 95 10.381 9.581 -6.525 1.00 0.00 N ATOM 1429 CA ASP A 95 10.424 8.638 -7.636 1.00 0.00 C ATOM 1430 C ASP A 95 9.567 7.412 -7.342 1.00 0.00 C ATOM 1431 O ASP A 95 9.303 7.089 -6.184 1.00 0.00 O ATOM 1432 CB ASP A 95 11.866 8.211 -7.915 1.00 0.00 C ATOM 1433 CG ASP A 95 12.625 9.236 -8.737 1.00 0.00 C ATOM 1434 OD1 ASP A 95 12.366 10.445 -8.562 1.00 0.00 O ATOM 1435 OD2 ASP A 95 13.476 8.829 -9.554 1.00 0.00 O ATOM 0 H ASP A 95 11.289 9.780 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 95 10.023 9.137 -8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.384 8.052 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.864 7.257 -8.442 1.00 0.00 H new ATOM 1440 N ARG A 96 9.135 6.730 -8.399 1.00 0.00 N ATOM 1441 CA ARG A 96 8.307 5.539 -8.253 1.00 0.00 C ATOM 1442 C ARG A 96 9.030 4.469 -7.442 1.00 0.00 C ATOM 1443 O ARG A 96 8.408 3.720 -6.688 1.00 0.00 O ATOM 1444 CB ARG A 96 7.929 4.984 -9.628 1.00 0.00 C ATOM 1445 CG ARG A 96 9.128 4.605 -10.481 1.00 0.00 C ATOM 1446 CD ARG A 96 8.811 4.709 -11.965 1.00 0.00 C ATOM 1447 NE ARG A 96 9.882 4.160 -12.793 1.00 0.00 N ATOM 1448 CZ ARG A 96 9.796 4.009 -14.112 1.00 0.00 C ATOM 1449 NH1 ARG A 96 8.691 4.364 -14.757 1.00 0.00 N ATOM 1450 NH2 ARG A 96 10.816 3.502 -14.790 1.00 0.00 N ATOM 0 H ARG A 96 9.345 6.982 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 96 7.399 5.822 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.296 4.107 -9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.335 5.727 -10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.968 5.257 -10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.437 3.587 -10.244 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.882 4.179 -12.175 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.648 5.754 -12.229 1.00 0.00 H new ATOM 0 HE ARG A 96 10.747 3.876 -12.333 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.903 4.755 -14.241 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.631 4.246 -15.768 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.668 3.227 -14.300 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.749 3.387 -15.801 1.00 0.00 H new ATOM 1464 N VAL A 97 10.348 4.403 -7.601 1.00 0.00 N ATOM 1465 CA VAL A 97 11.156 3.425 -6.883 1.00 0.00 C ATOM 1466 C VAL A 97 11.097 3.662 -5.378 1.00 0.00 C ATOM 1467 O VAL A 97 11.218 2.727 -4.588 1.00 0.00 O ATOM 1468 CB VAL A 97 12.626 3.466 -7.340 1.00 0.00 C ATOM 1469 CG1 VAL A 97 13.409 2.313 -6.733 1.00 0.00 C ATOM 1470 CG2 VAL A 97 12.715 3.440 -8.858 1.00 0.00 C ATOM 0 H VAL A 97 10.879 5.015 -8.221 1.00 0.00 H new ATOM 0 HA VAL A 97 10.740 2.444 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 97 13.069 4.398 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.445 2.360 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.376 2.383 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.968 1.368 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.761 3.470 -9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.254 2.527 -9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 97 12.194 4.305 -9.268 1.00 0.00 H new ATOM 1480 N ALA A 98 10.910 4.920 -4.989 1.00 0.00 N ATOM 1481 CA ALA A 98 10.835 5.279 -3.578 1.00 0.00 C ATOM 1482 C ALA A 98 9.688 4.551 -2.886 1.00 0.00 C ATOM 1483 O ALA A 98 9.902 3.794 -1.940 1.00 0.00 O ATOM 1484 CB ALA A 98 10.675 6.784 -3.425 1.00 0.00 C ATOM 0 H ALA A 98 10.808 5.706 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 98 11.766 4.972 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.620 7.038 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.530 7.288 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.760 7.105 -3.923 1.00 0.00 H new ATOM 1490 N ILE A 99 8.471 4.782 -3.368 1.00 0.00 N ATOM 1491 CA ILE A 99 7.292 4.144 -2.795 1.00 0.00 C ATOM 1492 C ILE A 99 7.274 2.649 -3.101 1.00 0.00 C ATOM 1493 O ILE A 99 6.649 1.866 -2.386 1.00 0.00 O ATOM 1494 CB ILE A 99 5.988 4.780 -3.320 1.00 0.00 C ATOM 1495 CG1 ILE A 99 6.051 6.304 -3.205 1.00 0.00 C ATOM 1496 CG2 ILE A 99 4.791 4.236 -2.555 1.00 0.00 C ATOM 1497 CD1 ILE A 99 5.248 7.024 -4.268 1.00 0.00 C ATOM 0 H ILE A 99 8.276 5.405 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 99 7.348 4.294 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 99 5.874 4.520 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.686 6.602 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.091 6.623 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.878 4.693 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.737 3.155 -2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.899 4.469 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.338 8.101 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.627 6.756 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.200 6.734 -4.191 1.00 0.00 H new ATOM 1509 N TYR A 100 7.966 2.258 -4.168 1.00 0.00 N ATOM 1510 CA TYR A 100 8.031 0.858 -4.569 1.00 0.00 C ATOM 1511 C TYR A 100 8.972 0.075 -3.658 1.00 0.00 C ATOM 1512 O TYR A 100 8.678 -1.055 -3.269 1.00 0.00 O ATOM 1513 CB TYR A 100 8.499 0.743 -6.021 1.00 0.00 C ATOM 1514 CG TYR A 100 8.373 -0.652 -6.590 1.00 0.00 C ATOM 1515 CD1 TYR A 100 7.135 -1.162 -6.962 1.00 0.00 C ATOM 1516 CD2 TYR A 100 9.491 -1.458 -6.756 1.00 0.00 C ATOM 1517 CE1 TYR A 100 7.016 -2.436 -7.484 1.00 0.00 C ATOM 1518 CE2 TYR A 100 9.381 -2.734 -7.278 1.00 0.00 C ATOM 1519 CZ TYR A 100 8.141 -3.218 -7.639 1.00 0.00 C ATOM 1520 OH TYR A 100 8.027 -4.487 -8.157 1.00 0.00 O ATOM 0 H TYR A 100 8.490 2.893 -4.770 1.00 0.00 H new ATOM 0 HA TYR A 100 7.031 0.434 -4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.919 1.431 -6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.540 1.059 -6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.251 -0.553 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.463 -1.082 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.047 -2.817 -7.769 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.261 -3.348 -7.402 1.00 0.00 H new ATOM 0 HH TYR A 100 8.913 -4.903 -8.201 1.00 0.00 H new ATOM 1530 N GLU A 101 10.106 0.684 -3.325 1.00 0.00 N ATOM 1531 CA GLU A 101 11.093 0.042 -2.463 1.00 0.00 C ATOM 1532 C GLU A 101 10.631 0.043 -1.009 1.00 0.00 C ATOM 1533 O GLU A 101 10.799 -0.945 -0.295 1.00 0.00 O ATOM 1534 CB GLU A 101 12.441 0.754 -2.582 1.00 0.00 C ATOM 1535 CG GLU A 101 13.303 0.235 -3.723 1.00 0.00 C ATOM 1536 CD GLU A 101 14.782 0.251 -3.390 1.00 0.00 C ATOM 1537 OE1 GLU A 101 15.352 1.356 -3.270 1.00 0.00 O ATOM 1538 OE2 GLU A 101 15.371 -0.841 -3.250 1.00 0.00 O ATOM 0 H GLU A 101 10.364 1.620 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 101 11.204 -0.993 -2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.268 1.821 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.986 0.641 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.000 -0.783 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.128 0.842 -4.611 1.00 0.00 H new ATOM 1545 N GLU A 102 10.054 1.158 -0.575 1.00 0.00 N ATOM 1546 CA GLU A 102 9.572 1.287 0.795 1.00 0.00 C ATOM 1547 C GLU A 102 8.522 0.226 1.107 1.00 0.00 C ATOM 1548 O GLU A 102 8.479 -0.313 2.213 1.00 0.00 O ATOM 1549 CB GLU A 102 8.986 2.682 1.024 1.00 0.00 C ATOM 1550 CG GLU A 102 10.039 3.764 1.187 1.00 0.00 C ATOM 1551 CD GLU A 102 10.491 3.924 2.626 1.00 0.00 C ATOM 1552 OE1 GLU A 102 11.021 2.945 3.193 1.00 0.00 O ATOM 1553 OE2 GLU A 102 10.317 5.028 3.184 1.00 0.00 O ATOM 0 H GLU A 102 9.909 1.986 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 102 10.420 1.141 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.341 2.938 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.357 2.661 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.901 3.525 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.639 4.712 0.828 1.00 0.00 H new ATOM 1560 N PHE A 103 7.677 -0.072 0.125 1.00 0.00 N ATOM 1561 CA PHE A 103 6.628 -1.069 0.296 1.00 0.00 C ATOM 1562 C PHE A 103 7.216 -2.476 0.349 1.00 0.00 C ATOM 1563 O PHE A 103 6.874 -3.270 1.225 1.00 0.00 O ATOM 1564 CB PHE A 103 5.613 -0.972 -0.844 1.00 0.00 C ATOM 1565 CG PHE A 103 4.455 -1.919 -0.700 1.00 0.00 C ATOM 1566 CD1 PHE A 103 3.681 -1.920 0.449 1.00 0.00 C ATOM 1567 CD2 PHE A 103 4.141 -2.808 -1.715 1.00 0.00 C ATOM 1568 CE1 PHE A 103 2.615 -2.790 0.584 1.00 0.00 C ATOM 1569 CE2 PHE A 103 3.077 -3.681 -1.586 1.00 0.00 C ATOM 1570 CZ PHE A 103 2.313 -3.672 -0.435 1.00 0.00 C ATOM 0 H PHE A 103 7.699 0.363 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 103 6.124 -0.870 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.233 0.048 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.119 -1.171 -1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.913 -1.233 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.734 -2.819 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.019 -2.780 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.843 -4.370 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.481 -4.353 -0.332 1.00 0.00 H new ATOM 1580 N LEU A 104 8.100 -2.777 -0.596 1.00 0.00 N ATOM 1581 CA LEU A 104 8.736 -4.089 -0.659 1.00 0.00 C ATOM 1582 C LEU A 104 9.523 -4.381 0.614 1.00 0.00 C ATOM 1583 O LEU A 104 9.483 -5.494 1.138 1.00 0.00 O ATOM 1584 CB LEU A 104 9.665 -4.169 -1.873 1.00 0.00 C ATOM 1585 CG LEU A 104 8.974 -4.014 -3.229 1.00 0.00 C ATOM 1586 CD1 LEU A 104 9.975 -3.586 -4.292 1.00 0.00 C ATOM 1587 CD2 LEU A 104 8.290 -5.313 -3.628 1.00 0.00 C ATOM 0 H LEU A 104 8.393 -2.131 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 104 7.950 -4.838 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.427 -3.395 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.182 -5.129 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 104 8.214 -3.238 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.466 -3.481 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.419 -2.631 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.758 -4.339 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.803 -5.186 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.032 -6.109 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.544 -5.577 -2.878 1.00 0.00 H new ATOM 1599 N ARG A 105 10.241 -3.376 1.104 1.00 0.00 N ATOM 1600 CA ARG A 105 11.043 -3.528 2.315 1.00 0.00 C ATOM 1601 C ARG A 105 10.173 -3.918 3.506 1.00 0.00 C ATOM 1602 O ARG A 105 10.545 -4.782 4.300 1.00 0.00 O ATOM 1603 CB ARG A 105 11.791 -2.228 2.622 1.00 0.00 C ATOM 1604 CG ARG A 105 13.166 -2.449 3.230 1.00 0.00 C ATOM 1605 CD ARG A 105 13.069 -3.009 4.640 1.00 0.00 C ATOM 1606 NE ARG A 105 14.098 -2.461 5.520 1.00 0.00 N ATOM 1607 CZ ARG A 105 14.307 -2.878 6.766 1.00 0.00 C ATOM 1608 NH1 ARG A 105 13.563 -3.848 7.282 1.00 0.00 N ATOM 1609 NH2 ARG A 105 15.265 -2.326 7.498 1.00 0.00 N ATOM 0 H ARG A 105 10.285 -2.448 0.683 1.00 0.00 H new ATOM 0 HA ARG A 105 11.765 -4.326 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.897 -1.653 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.192 -1.626 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.736 -3.135 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.712 -1.506 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.084 -2.786 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.162 -4.094 4.606 1.00 0.00 H new ATOM 0 HE ARG A 105 14.691 -1.715 5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 105 12.826 -4.278 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.728 -4.164 8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 105 15.842 -1.582 7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.425 -2.646 8.453 1.00 0.00 H new ATOM 1623 N MET A 106 9.017 -3.276 3.627 1.00 0.00 N ATOM 1624 CA MET A 106 8.100 -3.555 4.727 1.00 0.00 C ATOM 1625 C MET A 106 7.315 -4.840 4.479 1.00 0.00 C ATOM 1626 O MET A 106 6.910 -5.521 5.420 1.00 0.00 O ATOM 1627 CB MET A 106 7.135 -2.385 4.924 1.00 0.00 C ATOM 1628 CG MET A 106 6.596 -2.275 6.342 1.00 0.00 C ATOM 1629 SD MET A 106 7.385 -0.957 7.286 1.00 0.00 S ATOM 1630 CE MET A 106 6.683 0.490 6.499 1.00 0.00 C ATOM 0 H MET A 106 8.692 -2.559 2.978 1.00 0.00 H new ATOM 0 HA MET A 106 8.694 -3.686 5.632 1.00 0.00 H new ATOM 0 HB2 MET A 106 7.644 -1.457 4.664 1.00 0.00 H new ATOM 0 HB3 MET A 106 6.299 -2.494 4.233 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.521 -2.097 6.305 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.744 -3.224 6.857 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.420 1.293 6.491 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.400 0.246 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.801 0.813 7.052 1.00 0.00 H new ATOM 1640 N THR A 107 7.098 -5.164 3.208 1.00 0.00 N ATOM 1641 CA THR A 107 6.357 -6.368 2.846 1.00 0.00 C ATOM 1642 C THR A 107 7.302 -7.522 2.521 1.00 0.00 C ATOM 1643 O THR A 107 6.951 -8.429 1.766 1.00 0.00 O ATOM 1644 CB THR A 107 5.443 -6.088 1.651 1.00 0.00 C ATOM 1645 OG1 THR A 107 6.182 -5.557 0.565 1.00 0.00 O ATOM 1646 CG2 THR A 107 4.329 -5.114 1.966 1.00 0.00 C ATOM 0 H THR A 107 7.423 -4.612 2.414 1.00 0.00 H new ATOM 0 HA THR A 107 5.749 -6.658 3.703 1.00 0.00 H new ATOM 0 HB THR A 107 5.002 -7.051 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.381 -4.613 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.718 -4.960 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.709 -5.517 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.756 -4.162 2.282 1.00 0.00 H new ATOM 1654 N HIS A 108 8.499 -7.486 3.100 1.00 0.00 N ATOM 1655 CA HIS A 108 9.494 -8.533 2.876 1.00 0.00 C ATOM 1656 C HIS A 108 9.710 -8.779 1.385 1.00 0.00 C ATOM 1657 O HIS A 108 9.193 -9.745 0.824 1.00 0.00 O ATOM 1658 CB HIS A 108 9.059 -9.831 3.560 1.00 0.00 C ATOM 1659 CG HIS A 108 9.216 -9.803 5.049 1.00 0.00 C ATOM 1660 ND1 HIS A 108 8.221 -10.198 5.918 1.00 0.00 N ATOM 1661 CD2 HIS A 108 10.262 -9.427 5.823 1.00 0.00 C ATOM 1662 CE1 HIS A 108 8.648 -10.064 7.162 1.00 0.00 C ATOM 1663 NE2 HIS A 108 9.883 -9.598 7.130 1.00 0.00 N ATOM 0 H HIS A 108 8.805 -6.743 3.728 1.00 0.00 H new ATOM 0 HA HIS A 108 10.437 -8.197 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.015 -10.029 3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.643 -10.658 3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.217 -9.061 5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 108 8.083 -10.296 8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.462 -9.398 7.946 1.00 0.00 H new ATOM 1672 N ASN A 109 10.480 -7.900 0.750 1.00 0.00 N ATOM 1673 CA ASN A 109 10.767 -8.022 -0.677 1.00 0.00 C ATOM 1674 C ASN A 109 9.482 -8.171 -1.487 1.00 0.00 C ATOM 1675 O ASN A 109 9.485 -8.748 -2.573 1.00 0.00 O ATOM 1676 CB ASN A 109 11.684 -9.220 -0.932 1.00 0.00 C ATOM 1677 CG ASN A 109 12.996 -9.113 -0.180 1.00 0.00 C ATOM 1678 OD1 ASN A 109 13.394 -8.030 0.248 1.00 0.00 O ATOM 1679 ND2 ASN A 109 13.677 -10.242 -0.016 1.00 0.00 N ATOM 0 H ASN A 109 10.917 -7.096 1.200 1.00 0.00 H new ATOM 0 HA ASN A 109 11.270 -7.109 -0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.172 -10.136 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.886 -9.299 -2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 109 14.567 -10.233 0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 109 13.309 -11.118 -0.388 1.00 0.00 H new ATOM 1686 N GLY A 110 8.386 -7.647 -0.948 1.00 0.00 N ATOM 1687 CA GLY A 110 7.109 -7.732 -1.633 1.00 0.00 C ATOM 1688 C GLY A 110 6.601 -9.156 -1.734 1.00 0.00 C ATOM 1689 O GLY A 110 6.577 -9.739 -2.817 1.00 0.00 O ATOM 0 H GLY A 110 8.359 -7.165 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.375 -7.124 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.208 -7.313 -2.634 1.00 0.00 H new ATOM 1693 N THR A 111 6.194 -9.719 -0.601 1.00 0.00 N ATOM 1694 CA THR A 111 5.685 -11.086 -0.567 1.00 0.00 C ATOM 1695 C THR A 111 4.483 -11.197 0.365 1.00 0.00 C ATOM 1696 O THR A 111 3.466 -11.793 0.013 1.00 0.00 O ATOM 1697 CB THR A 111 6.784 -12.050 -0.120 1.00 0.00 C ATOM 1698 OG1 THR A 111 7.436 -11.565 1.042 1.00 0.00 O ATOM 1699 CG2 THR A 111 7.842 -12.283 -1.175 1.00 0.00 C ATOM 0 H THR A 111 6.207 -9.251 0.305 1.00 0.00 H new ATOM 0 HA THR A 111 5.365 -11.353 -1.574 1.00 0.00 H new ATOM 0 HB THR A 111 6.276 -12.994 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.298 -11.170 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.591 -12.976 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.379 -12.705 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.319 -11.336 -1.427 1.00 0.00 H new ATOM 1707 N GLN A 112 4.609 -10.624 1.559 1.00 0.00 N ATOM 1708 CA GLN A 112 3.532 -10.663 2.540 1.00 0.00 C ATOM 1709 C GLN A 112 3.303 -9.287 3.157 1.00 0.00 C ATOM 1710 O GLN A 112 4.200 -8.715 3.776 1.00 0.00 O ATOM 1711 CB GLN A 112 3.851 -11.680 3.638 1.00 0.00 C ATOM 1712 CG GLN A 112 2.742 -11.834 4.666 1.00 0.00 C ATOM 1713 CD GLN A 112 3.215 -11.567 6.082 1.00 0.00 C ATOM 1714 OE1 GLN A 112 4.094 -10.735 6.308 1.00 0.00 O ATOM 1715 NE2 GLN A 112 2.632 -12.273 7.044 1.00 0.00 N ATOM 0 H GLN A 112 5.445 -10.128 1.869 1.00 0.00 H new ATOM 0 HA GLN A 112 2.619 -10.965 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.046 -12.649 3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.767 -11.378 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.930 -11.149 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.336 -12.844 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.908 -12.952 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.909 -12.136 8.016 1.00 0.00 H new ATOM 1724 N LEU A 113 2.094 -8.762 2.986 1.00 0.00 N ATOM 1725 CA LEU A 113 1.743 -7.455 3.527 1.00 0.00 C ATOM 1726 C LEU A 113 1.060 -7.598 4.884 1.00 0.00 C ATOM 1727 O LEU A 113 -0.157 -7.756 4.964 1.00 0.00 O ATOM 1728 CB LEU A 113 0.829 -6.703 2.551 1.00 0.00 C ATOM 1729 CG LEU A 113 0.358 -5.316 3.008 1.00 0.00 C ATOM 1730 CD1 LEU A 113 -0.913 -5.425 3.835 1.00 0.00 C ATOM 1731 CD2 LEU A 113 1.447 -4.598 3.796 1.00 0.00 C ATOM 0 H LEU A 113 1.340 -9.223 2.476 1.00 0.00 H new ATOM 0 HA LEU A 113 2.661 -6.883 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.355 -6.593 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.050 -7.319 2.359 1.00 0.00 H new ATOM 0 HG LEU A 113 0.141 -4.727 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.229 -4.430 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.699 -5.884 3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.723 -6.040 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.085 -3.618 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.706 -5.185 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.330 -4.476 3.169 1.00 0.00 H new ATOM 1743 N LEU A 114 1.857 -7.545 5.948 1.00 0.00 N ATOM 1744 CA LEU A 114 1.337 -7.671 7.306 1.00 0.00 C ATOM 1745 C LEU A 114 0.658 -9.022 7.512 1.00 0.00 C ATOM 1746 O LEU A 114 1.252 -9.947 8.065 1.00 0.00 O ATOM 1747 CB LEU A 114 0.355 -6.535 7.606 1.00 0.00 C ATOM 1748 CG LEU A 114 0.998 -5.163 7.813 1.00 0.00 C ATOM 1749 CD1 LEU A 114 -0.053 -4.134 8.201 1.00 0.00 C ATOM 1750 CD2 LEU A 114 2.088 -5.240 8.872 1.00 0.00 C ATOM 0 H LEU A 114 2.867 -7.415 5.895 1.00 0.00 H new ATOM 0 HA LEU A 114 2.178 -7.605 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.358 -6.465 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.213 -6.792 8.500 1.00 0.00 H new ATOM 0 HG LEU A 114 1.453 -4.850 6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.423 -3.164 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.799 -4.059 7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.538 -4.441 9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.535 -4.255 9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.656 -5.574 9.815 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.855 -5.946 8.554 1.00 0.00 H new ATOM 1762 N ASN A 115 -0.589 -9.131 7.063 1.00 0.00 N ATOM 1763 CA ASN A 115 -1.345 -10.371 7.197 1.00 0.00 C ATOM 1764 C ASN A 115 -2.000 -10.751 5.873 1.00 0.00 C ATOM 1765 O ASN A 115 -3.055 -11.385 5.851 1.00 0.00 O ATOM 1766 CB ASN A 115 -2.411 -10.228 8.285 1.00 0.00 C ATOM 1767 CG ASN A 115 -1.816 -10.241 9.680 1.00 0.00 C ATOM 1768 OD1 ASN A 115 -0.960 -11.066 9.996 1.00 0.00 O ATOM 1769 ND2 ASN A 115 -2.272 -9.322 10.526 1.00 0.00 N ATOM 0 H ASN A 115 -1.097 -8.375 6.603 1.00 0.00 H new ATOM 0 HA ASN A 115 -0.652 -11.163 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.958 -9.297 8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.132 -11.040 8.193 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.911 -9.282 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.983 -8.657 10.222 1.00 0.00 H new ATOM 1776 N PHE A 116 -1.367 -10.359 4.772 1.00 0.00 N ATOM 1777 CA PHE A 116 -1.886 -10.656 3.443 1.00 0.00 C ATOM 1778 C PHE A 116 -0.754 -11.012 2.484 1.00 0.00 C ATOM 1779 O PHE A 116 0.038 -10.153 2.097 1.00 0.00 O ATOM 1780 CB PHE A 116 -2.672 -9.461 2.900 1.00 0.00 C ATOM 1781 CG PHE A 116 -4.074 -9.374 3.431 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -5.078 -10.172 2.907 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -4.387 -8.494 4.454 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -6.369 -10.094 3.394 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -5.676 -8.411 4.945 1.00 0.00 C ATOM 1786 CZ PHE A 116 -6.668 -9.212 4.414 1.00 0.00 C ATOM 0 H PHE A 116 -0.492 -9.834 4.775 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.553 -11.514 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.140 -8.543 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -2.707 -9.524 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.849 -10.863 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.615 -7.866 4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -7.143 -10.722 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -5.907 -7.721 5.743 1.00 0.00 H new ATOM 0 HZ PHE A 116 -7.676 -9.149 4.796 1.00 0.00 H new ATOM 1796 N THR A 117 -0.683 -12.284 2.107 1.00 0.00 N ATOM 1797 CA THR A 117 0.354 -12.753 1.195 1.00 0.00 C ATOM 1798 C THR A 117 0.051 -12.333 -0.240 1.00 0.00 C ATOM 1799 O THR A 117 -0.946 -12.759 -0.824 1.00 0.00 O ATOM 1800 CB THR A 117 0.481 -14.276 1.275 1.00 0.00 C ATOM 1801 OG1 THR A 117 -0.608 -14.905 0.623 1.00 0.00 O ATOM 1802 CG2 THR A 117 0.530 -14.797 2.696 1.00 0.00 C ATOM 0 H THR A 117 -1.330 -13.008 2.418 1.00 0.00 H new ATOM 0 HA THR A 117 1.298 -12.298 1.495 1.00 0.00 H new ATOM 0 HB THR A 117 1.425 -14.515 0.785 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.844 -14.398 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.620 -15.883 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.389 -14.368 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.384 -14.515 3.218 1.00 0.00 H new ATOM 1810 N LEU A 118 0.917 -11.496 -0.802 1.00 0.00 N ATOM 1811 CA LEU A 118 0.741 -11.021 -2.170 1.00 0.00 C ATOM 1812 C LEU A 118 2.016 -11.223 -2.984 1.00 0.00 C ATOM 1813 O LEU A 118 3.101 -11.389 -2.427 1.00 0.00 O ATOM 1814 CB LEU A 118 0.340 -9.544 -2.176 1.00 0.00 C ATOM 1815 CG LEU A 118 1.285 -8.609 -1.421 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.365 -8.081 -2.350 1.00 0.00 C ATOM 1817 CD2 LEU A 118 0.508 -7.460 -0.796 1.00 0.00 C ATOM 0 H LEU A 118 1.746 -11.133 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.057 -11.604 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.271 -9.207 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.657 -9.453 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 118 1.766 -9.174 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.029 -7.417 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.939 -8.916 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.903 -7.531 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.195 -6.804 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 118 0.001 -6.895 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.230 -7.857 -0.099 1.00 0.00 H new ATOM 1829 N ASP A 119 1.874 -11.215 -4.307 1.00 0.00 N ATOM 1830 CA ASP A 119 3.014 -11.405 -5.199 1.00 0.00 C ATOM 1831 C ASP A 119 3.730 -10.086 -5.467 1.00 0.00 C ATOM 1832 O ASP A 119 3.162 -9.010 -5.284 1.00 0.00 O ATOM 1833 CB ASP A 119 2.552 -12.024 -6.520 1.00 0.00 C ATOM 1834 CG ASP A 119 3.592 -12.952 -7.117 1.00 0.00 C ATOM 1835 OD1 ASP A 119 3.703 -14.103 -6.643 1.00 0.00 O ATOM 1836 OD2 ASP A 119 4.294 -12.529 -8.059 1.00 0.00 O ATOM 0 H ASP A 119 0.983 -11.079 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 119 3.715 -12.081 -4.709 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.627 -12.577 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 119 2.326 -11.230 -7.231 1.00 0.00 H new ATOM 1841 N ARG A 120 4.983 -10.180 -5.905 1.00 0.00 N ATOM 1842 CA ARG A 120 5.781 -8.995 -6.202 1.00 0.00 C ATOM 1843 C ARG A 120 5.616 -8.581 -7.660 1.00 0.00 C ATOM 1844 O ARG A 120 5.480 -7.396 -7.967 1.00 0.00 O ATOM 1845 CB ARG A 120 7.258 -9.261 -5.903 1.00 0.00 C ATOM 1846 CG ARG A 120 8.127 -8.017 -5.980 1.00 0.00 C ATOM 1847 CD ARG A 120 9.607 -8.366 -5.972 1.00 0.00 C ATOM 1848 NE ARG A 120 9.998 -9.131 -7.155 1.00 0.00 N ATOM 1849 CZ ARG A 120 9.983 -10.462 -7.221 1.00 0.00 C ATOM 1850 NH1 ARG A 120 9.582 -11.183 -6.181 1.00 0.00 N ATOM 1851 NH2 ARG A 120 10.365 -11.073 -8.335 1.00 0.00 N ATOM 0 H ARG A 120 5.467 -11.064 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 120 5.428 -8.182 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.346 -9.695 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.635 -10.002 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.889 -7.462 -6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.902 -7.363 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.195 -7.449 -5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.838 -8.942 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 120 10.301 -8.614 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.282 -10.719 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 120 9.573 -12.201 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.669 -10.524 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.354 -12.092 -8.387 1.00 0.00 H new ATOM 1865 N LYS A 121 5.629 -9.563 -8.555 1.00 0.00 N ATOM 1866 CA LYS A 121 5.482 -9.302 -9.983 1.00 0.00 C ATOM 1867 C LYS A 121 4.192 -8.537 -10.266 1.00 0.00 C ATOM 1868 O LYS A 121 4.138 -7.704 -11.171 1.00 0.00 O ATOM 1869 CB LYS A 121 5.493 -10.616 -10.767 1.00 0.00 C ATOM 1870 CG LYS A 121 6.865 -10.991 -11.307 1.00 0.00 C ATOM 1871 CD LYS A 121 6.882 -11.023 -12.828 1.00 0.00 C ATOM 1872 CE LYS A 121 7.587 -12.263 -13.353 1.00 0.00 C ATOM 1873 NZ LYS A 121 6.625 -13.354 -13.674 1.00 0.00 N ATOM 0 H LYS A 121 5.740 -10.549 -8.317 1.00 0.00 H new ATOM 0 HA LYS A 121 6.324 -8.689 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.134 -11.418 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.793 -10.539 -11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.605 -10.275 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.154 -11.968 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.859 -10.998 -13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.383 -10.132 -13.206 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.156 -12.006 -14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.302 -12.616 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.145 -14.182 -14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.099 -13.617 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.958 -13.026 -14.402 1.00 0.00 H new ATOM 1887 N SER A 122 3.157 -8.826 -9.485 1.00 0.00 N ATOM 1888 CA SER A 122 1.867 -8.165 -9.649 1.00 0.00 C ATOM 1889 C SER A 122 1.939 -6.712 -9.191 1.00 0.00 C ATOM 1890 O SER A 122 1.221 -5.853 -9.705 1.00 0.00 O ATOM 1891 CB SER A 122 0.787 -8.909 -8.862 1.00 0.00 C ATOM 1892 OG SER A 122 1.038 -8.849 -7.469 1.00 0.00 O ATOM 0 H SER A 122 3.186 -9.513 -8.732 1.00 0.00 H new ATOM 0 HA SER A 122 1.610 -8.180 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.189 -8.474 -9.078 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.750 -9.950 -9.184 1.00 0.00 H new ATOM 0 HG SER A 122 0.548 -9.567 -7.017 1.00 0.00 H new ATOM 1898 N VAL A 123 2.811 -6.442 -8.224 1.00 0.00 N ATOM 1899 CA VAL A 123 2.977 -5.093 -7.699 1.00 0.00 C ATOM 1900 C VAL A 123 3.493 -4.145 -8.778 1.00 0.00 C ATOM 1901 O VAL A 123 4.279 -4.538 -9.639 1.00 0.00 O ATOM 1902 CB VAL A 123 3.948 -5.071 -6.502 1.00 0.00 C ATOM 1903 CG1 VAL A 123 4.009 -3.681 -5.886 1.00 0.00 C ATOM 1904 CG2 VAL A 123 3.540 -6.104 -5.463 1.00 0.00 C ATOM 0 H VAL A 123 3.413 -7.141 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 123 1.995 -4.759 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 123 4.944 -5.326 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 123 4.700 -3.687 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 123 4.355 -2.967 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 123 3.016 -3.392 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.237 -6.073 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.534 -5.883 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.556 -7.097 -5.912 1.00 0.00 H new ATOM 1914 N PHE A 124 3.044 -2.896 -8.722 1.00 0.00 N ATOM 1915 CA PHE A 124 3.460 -1.890 -9.693 1.00 0.00 C ATOM 1916 C PHE A 124 2.968 -0.506 -9.284 1.00 0.00 C ATOM 1917 O PHE A 124 1.781 -0.308 -9.028 1.00 0.00 O ATOM 1918 CB PHE A 124 2.927 -2.242 -11.083 1.00 0.00 C ATOM 1919 CG PHE A 124 3.643 -1.535 -12.199 1.00 0.00 C ATOM 1920 CD1 PHE A 124 3.579 -0.155 -12.315 1.00 0.00 C ATOM 1921 CD2 PHE A 124 4.378 -2.248 -13.130 1.00 0.00 C ATOM 1922 CE1 PHE A 124 4.237 0.498 -13.340 1.00 0.00 C ATOM 1923 CE2 PHE A 124 5.038 -1.601 -14.158 1.00 0.00 C ATOM 1924 CZ PHE A 124 4.967 -0.226 -14.263 1.00 0.00 C ATOM 0 H PHE A 124 2.392 -2.556 -8.015 1.00 0.00 H new ATOM 0 HA PHE A 124 4.550 -1.876 -9.722 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.011 -3.318 -11.233 1.00 0.00 H new ATOM 0 HB3 PHE A 124 1.866 -1.995 -11.129 1.00 0.00 H new ATOM 0 HD1 PHE A 124 3.009 0.416 -11.597 1.00 0.00 H new ATOM 0 HD2 PHE A 124 4.437 -3.324 -13.052 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.181 1.574 -13.419 1.00 0.00 H new ATOM 0 HE2 PHE A 124 5.608 -2.170 -14.878 1.00 0.00 H new ATOM 0 HZ PHE A 124 5.481 0.283 -15.065 1.00 0.00 H new ATOM 1934 N VAL A 125 3.889 0.450 -9.226 1.00 0.00 N ATOM 1935 CA VAL A 125 3.547 1.816 -8.849 1.00 0.00 C ATOM 1936 C VAL A 125 4.070 2.816 -9.876 1.00 0.00 C ATOM 1937 O VAL A 125 5.278 2.992 -10.027 1.00 0.00 O ATOM 1938 CB VAL A 125 4.108 2.174 -7.458 1.00 0.00 C ATOM 1939 CG1 VAL A 125 5.627 2.090 -7.453 1.00 0.00 C ATOM 1940 CG2 VAL A 125 3.638 3.557 -7.028 1.00 0.00 C ATOM 0 H VAL A 125 4.877 0.304 -9.435 1.00 0.00 H new ATOM 0 HA VAL A 125 2.459 1.873 -8.815 1.00 0.00 H new ATOM 0 HB VAL A 125 3.727 1.449 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 125 6.002 2.346 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.936 1.076 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.032 2.787 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.045 3.790 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.983 4.299 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.549 3.574 -6.983 1.00 0.00 H new ATOM 1950 N ASP A 126 3.149 3.469 -10.580 1.00 0.00 N ATOM 1951 CA ASP A 126 3.515 4.452 -11.593 1.00 0.00 C ATOM 1952 C ASP A 126 2.855 5.798 -11.310 1.00 0.00 C ATOM 1953 O ASP A 126 1.883 5.878 -10.559 1.00 0.00 O ATOM 1954 CB ASP A 126 3.115 3.954 -12.984 1.00 0.00 C ATOM 1955 CG ASP A 126 4.254 4.044 -13.979 1.00 0.00 C ATOM 1956 OD1 ASP A 126 5.359 3.555 -13.665 1.00 0.00 O ATOM 1957 OD2 ASP A 126 4.041 4.606 -15.075 1.00 0.00 O ATOM 0 H ASP A 126 2.144 3.334 -10.467 1.00 0.00 H new ATOM 0 HA ASP A 126 4.596 4.586 -11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 126 2.778 2.920 -12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 126 2.271 4.540 -13.348 1.00 0.00 H new ATOM 1962 N SER A 127 3.390 6.852 -11.917 1.00 0.00 N ATOM 1963 CA SER A 127 2.853 8.195 -11.732 1.00 0.00 C ATOM 1964 C SER A 127 1.557 8.376 -12.515 1.00 0.00 C ATOM 1965 O SER A 127 1.574 8.777 -13.679 1.00 0.00 O ATOM 1966 CB SER A 127 3.878 9.242 -12.172 1.00 0.00 C ATOM 1967 OG SER A 127 4.924 9.365 -11.224 1.00 0.00 O ATOM 0 H SER A 127 4.195 6.802 -12.541 1.00 0.00 H new ATOM 0 HA SER A 127 2.638 8.330 -10.672 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.293 8.964 -13.141 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.385 10.206 -12.301 1.00 0.00 H new ATOM 0 HG SER A 127 4.557 9.282 -10.319 1.00 0.00 H new