USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 686 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 89 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.625 K(o=-0.63,f=-2.3) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 TYR OH : rot -45:sc= 1.9 USER MOD Set 3.2: A 43 TYR OH : rot -175:sc= 0.763 USER MOD Set 4.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 67 GLN : amide:sc= 0.547 K(o=0.55,f=0) USER MOD Set 5.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 41 GLN : amide:sc= 0.0133 X(o=0.013,f=0.17) USER MOD Set 6.1: A 32 THR OG1 : rot -149:sc= -0.208 USER MOD Set 6.2: A 61 TYR OH : rot 151:sc= -0.0389 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.147 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0105 X(o=-0.01,f=-0.01) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.186 USER MOD Single : A 17 THR OG1 : rot -36:sc= 0.327 USER MOD Single : A 19 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 23 THR OG1 : rot -29:sc= 0.617 USER MOD Single : A 24 SER OG : rot -88:sc= 0.548 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 15:sc= 0.18 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc=-0.00435 (180deg=-0.0953) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 165:sc= -0.0239 (180deg=-0.264) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.188 17.882 3.360 1.00 0.00 N ATOM 2 CA GLY A 1 28.198 19.282 3.798 1.00 0.00 C ATOM 3 C GLY A 1 27.350 20.125 2.869 1.00 0.00 C ATOM 4 O GLY A 1 26.646 19.568 2.028 1.00 0.00 O ATOM 0 H1 GLY A 1 27.722 17.296 4.082 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.669 17.803 2.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.165 17.553 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.817 19.355 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.221 19.659 3.812 1.00 0.00 H new ATOM 8 N HIS A 2 27.444 21.450 3.013 1.00 0.00 N ATOM 9 CA HIS A 2 26.544 22.442 2.419 1.00 0.00 C ATOM 10 C HIS A 2 25.167 22.366 3.092 1.00 0.00 C ATOM 11 O HIS A 2 25.052 21.777 4.177 1.00 0.00 O ATOM 12 CB HIS A 2 26.500 22.342 0.884 1.00 0.00 C ATOM 13 CG HIS A 2 27.851 22.136 0.249 1.00 0.00 C ATOM 14 ND1 HIS A 2 28.303 20.955 -0.295 1.00 0.00 N ATOM 15 CD2 HIS A 2 28.840 23.073 0.110 1.00 0.00 C ATOM 16 CE1 HIS A 2 29.534 21.182 -0.781 1.00 0.00 C ATOM 17 NE2 HIS A 2 29.900 22.456 -0.560 1.00 0.00 N ATOM 0 H HIS A 2 28.182 21.879 3.571 1.00 0.00 H new ATOM 0 HA HIS A 2 26.937 23.440 2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 2 25.847 21.517 0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 2 26.055 23.253 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 2 28.807 24.096 0.454 1.00 0.00 H new ATOM 0 HE1 HIS A 2 30.145 20.444 -1.280 1.00 0.00 H new ATOM 0 HE2 HIS A 2 30.783 22.890 -0.830 1.00 0.00 H new ATOM 25 N MET A 3 24.159 23.010 2.497 1.00 0.00 N ATOM 26 CA MET A 3 22.774 23.034 2.956 1.00 0.00 C ATOM 27 C MET A 3 22.105 21.681 2.651 1.00 0.00 C ATOM 28 O MET A 3 22.786 20.681 2.412 1.00 0.00 O ATOM 29 CB MET A 3 22.047 24.223 2.296 1.00 0.00 C ATOM 30 CG MET A 3 20.944 24.807 3.188 1.00 0.00 C ATOM 31 SD MET A 3 19.990 26.117 2.381 1.00 0.00 S ATOM 32 CE MET A 3 18.813 26.522 3.697 1.00 0.00 C ATOM 0 H MET A 3 24.296 23.552 1.644 1.00 0.00 H new ATOM 0 HA MET A 3 22.724 23.176 4.036 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.772 25.003 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 3 21.612 23.899 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.268 24.007 3.489 1.00 0.00 H new ATOM 0 HG3 MET A 3 21.394 25.203 4.098 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.149 27.317 3.359 1.00 0.00 H new ATOM 0 HE2 MET A 3 18.225 25.638 3.944 1.00 0.00 H new ATOM 0 HE3 MET A 3 19.356 26.855 4.581 1.00 0.00 H new ATOM 42 N GLN A 4 20.772 21.615 2.667 1.00 0.00 N ATOM 43 CA GLN A 4 20.001 20.471 2.213 1.00 0.00 C ATOM 44 C GLN A 4 18.761 20.952 1.475 1.00 0.00 C ATOM 45 O GLN A 4 18.213 21.995 1.814 1.00 0.00 O ATOM 46 CB GLN A 4 19.571 19.596 3.398 1.00 0.00 C ATOM 47 CG GLN A 4 20.543 18.436 3.612 1.00 0.00 C ATOM 48 CD GLN A 4 19.936 17.429 4.574 1.00 0.00 C ATOM 49 OE1 GLN A 4 20.285 17.379 5.749 1.00 0.00 O ATOM 50 NE2 GLN A 4 18.958 16.656 4.139 1.00 0.00 N ATOM 0 H GLN A 4 20.189 22.380 3.007 1.00 0.00 H new ATOM 0 HA GLN A 4 20.628 19.878 1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 4 19.521 20.203 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.569 19.206 3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 4 20.765 17.955 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 4 21.487 18.809 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 4 18.670 16.700 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 4 18.491 16.015 4.780 1.00 0.00 H new ATOM 59 N GLU A 5 18.282 20.121 0.550 1.00 0.00 N ATOM 60 CA GLU A 5 17.140 20.394 -0.316 1.00 0.00 C ATOM 61 C GLU A 5 15.809 20.519 0.452 1.00 0.00 C ATOM 62 O GLU A 5 14.875 21.132 -0.058 1.00 0.00 O ATOM 63 CB GLU A 5 17.135 19.296 -1.390 1.00 0.00 C ATOM 64 CG GLU A 5 16.156 19.520 -2.552 1.00 0.00 C ATOM 65 CD GLU A 5 16.818 19.123 -3.876 1.00 0.00 C ATOM 66 OE1 GLU A 5 17.588 19.952 -4.410 1.00 0.00 O ATOM 67 OE2 GLU A 5 16.647 17.973 -4.355 1.00 0.00 O ATOM 0 H GLU A 5 18.696 19.205 0.378 1.00 0.00 H new ATOM 0 HA GLU A 5 17.240 21.373 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 5 18.142 19.204 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.896 18.345 -0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.252 18.931 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.852 20.566 -2.587 1.00 0.00 H new ATOM 74 N SER A 6 15.754 20.031 1.700 1.00 0.00 N ATOM 75 CA SER A 6 14.660 20.231 2.650 1.00 0.00 C ATOM 76 C SER A 6 13.327 19.689 2.110 1.00 0.00 C ATOM 77 O SER A 6 12.356 20.431 1.916 1.00 0.00 O ATOM 78 CB SER A 6 14.617 21.716 3.034 1.00 0.00 C ATOM 79 OG SER A 6 13.819 21.955 4.174 1.00 0.00 O ATOM 0 H SER A 6 16.506 19.462 2.088 1.00 0.00 H new ATOM 0 HA SER A 6 14.838 19.653 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.631 22.069 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.230 22.294 2.195 1.00 0.00 H new ATOM 0 HG SER A 6 13.823 22.913 4.381 1.00 0.00 H new ATOM 85 N TYR A 7 13.271 18.368 1.918 1.00 0.00 N ATOM 86 CA TYR A 7 12.128 17.669 1.337 1.00 0.00 C ATOM 87 C TYR A 7 11.404 16.751 2.326 1.00 0.00 C ATOM 88 O TYR A 7 10.224 16.479 2.131 1.00 0.00 O ATOM 89 CB TYR A 7 12.587 16.895 0.099 1.00 0.00 C ATOM 90 CG TYR A 7 13.633 15.827 0.349 1.00 0.00 C ATOM 91 CD1 TYR A 7 13.240 14.559 0.804 1.00 0.00 C ATOM 92 CD2 TYR A 7 14.988 16.089 0.095 1.00 0.00 C ATOM 93 CE1 TYR A 7 14.188 13.540 1.004 1.00 0.00 C ATOM 94 CE2 TYR A 7 15.948 15.082 0.282 1.00 0.00 C ATOM 95 CZ TYR A 7 15.549 13.800 0.724 1.00 0.00 C ATOM 96 OH TYR A 7 16.485 12.822 0.863 1.00 0.00 O ATOM 0 H TYR A 7 14.038 17.744 2.169 1.00 0.00 H new ATOM 0 HA TYR A 7 11.394 18.423 1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.716 16.426 -0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 7 12.984 17.606 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.197 14.363 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.293 17.068 -0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.880 12.571 1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 7 16.991 15.287 0.088 1.00 0.00 H new ATOM 0 HH TYR A 7 17.367 13.177 0.627 1.00 0.00 H new ATOM 106 N SER A 8 12.069 16.318 3.400 1.00 0.00 N ATOM 107 CA SER A 8 11.505 15.537 4.505 1.00 0.00 C ATOM 108 C SER A 8 10.697 14.308 4.027 1.00 0.00 C ATOM 109 O SER A 8 9.512 14.149 4.334 1.00 0.00 O ATOM 110 CB SER A 8 10.732 16.504 5.421 1.00 0.00 C ATOM 111 OG SER A 8 10.640 16.025 6.751 1.00 0.00 O ATOM 0 H SER A 8 13.062 16.511 3.529 1.00 0.00 H new ATOM 0 HA SER A 8 12.304 15.080 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.226 17.475 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.729 16.656 5.022 1.00 0.00 H new ATOM 0 HG SER A 8 10.144 16.670 7.297 1.00 0.00 H new ATOM 117 N GLN A 9 11.343 13.404 3.279 1.00 0.00 N ATOM 118 CA GLN A 9 10.759 12.162 2.793 1.00 0.00 C ATOM 119 C GLN A 9 11.652 10.961 3.078 1.00 0.00 C ATOM 120 O GLN A 9 12.743 11.100 3.636 1.00 0.00 O ATOM 121 CB GLN A 9 10.342 12.244 1.311 1.00 0.00 C ATOM 122 CG GLN A 9 9.141 13.153 1.040 1.00 0.00 C ATOM 123 CD GLN A 9 7.814 12.632 1.596 1.00 0.00 C ATOM 124 OE1 GLN A 9 7.716 11.579 2.234 1.00 0.00 O ATOM 125 NE2 GLN A 9 6.751 13.378 1.384 1.00 0.00 N ATOM 0 H GLN A 9 12.314 13.527 2.991 1.00 0.00 H new ATOM 0 HA GLN A 9 9.839 12.011 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.191 12.600 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.109 11.240 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.340 14.135 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.041 13.290 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.835 14.247 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.843 13.087 1.747 1.00 0.00 H new ATOM 134 N TYR A 10 11.140 9.784 2.727 1.00 0.00 N ATOM 135 CA TYR A 10 11.682 8.480 3.068 1.00 0.00 C ATOM 136 C TYR A 10 13.109 8.289 2.526 1.00 0.00 C ATOM 137 O TYR A 10 13.557 9.030 1.635 1.00 0.00 O ATOM 138 CB TYR A 10 10.710 7.415 2.537 1.00 0.00 C ATOM 139 CG TYR A 10 9.462 7.279 3.394 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.340 8.106 3.183 1.00 0.00 C ATOM 141 CD2 TYR A 10 9.450 6.350 4.450 1.00 0.00 C ATOM 142 CE1 TYR A 10 7.210 7.992 4.015 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.329 6.236 5.284 1.00 0.00 C ATOM 144 CZ TYR A 10 7.196 7.045 5.063 1.00 0.00 C ATOM 145 OH TYR A 10 6.092 6.881 5.840 1.00 0.00 O ATOM 0 H TYR A 10 10.290 9.715 2.167 1.00 0.00 H new ATOM 0 HA TYR A 10 11.773 8.387 4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.420 7.670 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.221 6.453 2.492 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.347 8.829 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.311 5.720 4.620 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.353 8.629 3.852 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.333 5.526 6.098 1.00 0.00 H new ATOM 0 HH TYR A 10 6.263 6.186 6.509 1.00 0.00 H new ATOM 155 N PRO A 11 13.839 7.297 3.057 1.00 0.00 N ATOM 156 CA PRO A 11 15.091 6.824 2.484 1.00 0.00 C ATOM 157 C PRO A 11 14.823 6.116 1.156 1.00 0.00 C ATOM 158 O PRO A 11 13.684 5.958 0.726 1.00 0.00 O ATOM 159 CB PRO A 11 15.680 5.870 3.532 1.00 0.00 C ATOM 160 CG PRO A 11 14.421 5.282 4.158 1.00 0.00 C ATOM 161 CD PRO A 11 13.488 6.481 4.211 1.00 0.00 C ATOM 0 HA PRO A 11 15.786 7.634 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.309 5.103 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.294 6.395 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.008 4.473 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.614 4.874 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.445 6.169 4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.616 7.038 5.139 1.00 0.00 H new ATOM 169 N VAL A 12 15.897 5.651 0.527 1.00 0.00 N ATOM 170 CA VAL A 12 15.871 4.885 -0.704 1.00 0.00 C ATOM 171 C VAL A 12 16.163 3.431 -0.325 1.00 0.00 C ATOM 172 O VAL A 12 17.340 3.095 -0.146 1.00 0.00 O ATOM 173 CB VAL A 12 16.812 5.471 -1.767 1.00 0.00 C ATOM 174 CG1 VAL A 12 16.549 4.845 -3.143 1.00 0.00 C ATOM 175 CG2 VAL A 12 16.603 6.983 -1.913 1.00 0.00 C ATOM 0 H VAL A 12 16.842 5.806 0.877 1.00 0.00 H new ATOM 0 HA VAL A 12 14.894 4.933 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 12 17.828 5.254 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.229 5.279 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.711 3.768 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.520 5.043 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.282 7.373 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.573 7.181 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.805 7.472 -0.960 1.00 0.00 H new ATOM 185 N PRO A 13 15.158 2.605 0.017 1.00 0.00 N ATOM 186 CA PRO A 13 15.411 1.179 0.202 1.00 0.00 C ATOM 187 C PRO A 13 15.987 0.562 -1.092 1.00 0.00 C ATOM 188 O PRO A 13 16.021 1.182 -2.166 1.00 0.00 O ATOM 189 CB PRO A 13 14.043 0.592 0.568 1.00 0.00 C ATOM 190 CG PRO A 13 13.079 1.474 -0.223 1.00 0.00 C ATOM 191 CD PRO A 13 13.719 2.854 -0.126 1.00 0.00 C ATOM 0 HA PRO A 13 16.150 0.972 0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.962 -0.456 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.853 0.644 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.986 1.144 -1.258 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.077 1.463 0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.509 3.448 -1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.329 3.409 0.727 1.00 0.00 H new ATOM 199 N ASP A 14 16.441 -0.690 -1.014 1.00 0.00 N ATOM 200 CA ASP A 14 16.697 -1.494 -2.189 1.00 0.00 C ATOM 201 C ASP A 14 16.055 -2.843 -1.925 1.00 0.00 C ATOM 202 O ASP A 14 16.281 -3.474 -0.883 1.00 0.00 O ATOM 203 CB ASP A 14 18.201 -1.597 -2.482 1.00 0.00 C ATOM 204 CG ASP A 14 18.486 -1.946 -3.954 1.00 0.00 C ATOM 205 OD1 ASP A 14 17.658 -2.635 -4.602 1.00 0.00 O ATOM 206 OD2 ASP A 14 19.564 -1.525 -4.447 1.00 0.00 O ATOM 0 H ASP A 14 16.638 -1.165 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 14 16.270 -1.043 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 14 18.683 -0.651 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.643 -2.357 -1.838 1.00 0.00 H new ATOM 211 N VAL A 15 15.258 -3.274 -2.897 1.00 0.00 N ATOM 212 CA VAL A 15 14.642 -4.598 -2.925 1.00 0.00 C ATOM 213 C VAL A 15 15.749 -5.635 -2.895 1.00 0.00 C ATOM 214 O VAL A 15 15.510 -6.770 -2.484 1.00 0.00 O ATOM 215 CB VAL A 15 13.793 -4.910 -4.174 1.00 0.00 C ATOM 216 CG1 VAL A 15 12.683 -5.942 -3.980 1.00 0.00 C ATOM 217 CG2 VAL A 15 13.462 -3.679 -5.003 1.00 0.00 C ATOM 0 H VAL A 15 15.016 -2.701 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 15 13.972 -4.621 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 15 14.454 -5.475 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.150 -6.084 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.119 -6.889 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 15 11.987 -5.589 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.863 -3.971 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.900 -2.971 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.385 -3.211 -5.344 1.00 0.00 H new ATOM 227 N SER A 16 16.947 -5.294 -3.382 1.00 0.00 N ATOM 228 CA SER A 16 17.943 -6.322 -3.506 1.00 0.00 C ATOM 229 C SER A 16 18.231 -6.913 -2.114 1.00 0.00 C ATOM 230 O SER A 16 18.319 -8.128 -1.945 1.00 0.00 O ATOM 231 CB SER A 16 19.202 -5.773 -4.153 1.00 0.00 C ATOM 232 OG SER A 16 19.688 -4.621 -3.486 1.00 0.00 O ATOM 0 H SER A 16 17.227 -4.359 -3.679 1.00 0.00 H new ATOM 0 HA SER A 16 17.573 -7.117 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.974 -6.543 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.996 -5.528 -5.195 1.00 0.00 H new ATOM 0 HG SER A 16 20.499 -4.301 -3.934 1.00 0.00 H new ATOM 238 N THR A 17 18.244 -6.043 -1.101 1.00 0.00 N ATOM 239 CA THR A 17 18.478 -6.353 0.302 1.00 0.00 C ATOM 240 C THR A 17 17.172 -6.731 1.030 1.00 0.00 C ATOM 241 O THR A 17 17.092 -6.570 2.249 1.00 0.00 O ATOM 242 CB THR A 17 19.243 -5.182 0.966 1.00 0.00 C ATOM 243 OG1 THR A 17 18.425 -4.042 1.221 1.00 0.00 O ATOM 244 CG2 THR A 17 20.424 -4.683 0.124 1.00 0.00 C ATOM 0 H THR A 17 18.082 -5.047 -1.252 1.00 0.00 H new ATOM 0 HA THR A 17 19.107 -7.240 0.379 1.00 0.00 H new ATOM 0 HB THR A 17 19.592 -5.614 1.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.772 -3.939 0.497 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.920 -3.862 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.133 -5.497 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.060 -4.334 -0.843 1.00 0.00 H new ATOM 252 N TYR A 18 16.090 -7.102 0.333 1.00 0.00 N ATOM 253 CA TYR A 18 14.913 -7.658 0.996 1.00 0.00 C ATOM 254 C TYR A 18 15.140 -9.131 1.315 1.00 0.00 C ATOM 255 O TYR A 18 15.979 -9.789 0.694 1.00 0.00 O ATOM 256 CB TYR A 18 13.668 -7.477 0.127 1.00 0.00 C ATOM 257 CG TYR A 18 13.107 -6.068 0.044 1.00 0.00 C ATOM 258 CD1 TYR A 18 13.665 -4.985 0.753 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.068 -5.827 -0.866 1.00 0.00 C ATOM 260 CE1 TYR A 18 13.188 -3.682 0.548 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.694 -4.512 -1.182 1.00 0.00 C ATOM 262 CZ TYR A 18 12.209 -3.432 -0.438 1.00 0.00 C ATOM 263 OH TYR A 18 11.765 -2.167 -0.669 1.00 0.00 O ATOM 0 H TYR A 18 16.009 -7.027 -0.681 1.00 0.00 H new ATOM 0 HA TYR A 18 14.752 -7.121 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 18 13.904 -7.812 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.886 -8.135 0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.464 -5.159 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 18 11.553 -6.657 -1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.571 -2.868 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.010 -4.327 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 18 11.588 -1.721 0.186 1.00 0.00 H new ATOM 273 N GLN A 19 14.349 -9.651 2.249 1.00 0.00 N ATOM 274 CA GLN A 19 14.427 -11.029 2.721 1.00 0.00 C ATOM 275 C GLN A 19 13.319 -11.828 2.031 1.00 0.00 C ATOM 276 O GLN A 19 12.144 -11.580 2.294 1.00 0.00 O ATOM 277 CB GLN A 19 14.304 -11.059 4.256 1.00 0.00 C ATOM 278 CG GLN A 19 15.555 -10.516 4.980 1.00 0.00 C ATOM 279 CD GLN A 19 15.534 -10.722 6.506 1.00 0.00 C ATOM 280 OE1 GLN A 19 16.567 -10.707 7.176 1.00 0.00 O ATOM 281 NE2 GLN A 19 14.380 -10.898 7.133 1.00 0.00 N ATOM 0 H GLN A 19 13.617 -9.111 2.710 1.00 0.00 H new ATOM 0 HA GLN A 19 15.387 -11.481 2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.436 -10.472 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.122 -12.084 4.579 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.440 -11.003 4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.651 -9.451 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.509 -10.915 6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.363 -11.017 8.146 1.00 0.00 H new ATOM 290 N TYR A 20 13.675 -12.725 1.111 1.00 0.00 N ATOM 291 CA TYR A 20 12.739 -13.616 0.432 1.00 0.00 C ATOM 292 C TYR A 20 12.078 -14.566 1.439 1.00 0.00 C ATOM 293 O TYR A 20 12.687 -14.921 2.450 1.00 0.00 O ATOM 294 CB TYR A 20 13.483 -14.415 -0.652 1.00 0.00 C ATOM 295 CG TYR A 20 12.593 -15.299 -1.511 1.00 0.00 C ATOM 296 CD1 TYR A 20 11.676 -14.713 -2.408 1.00 0.00 C ATOM 297 CD2 TYR A 20 12.649 -16.704 -1.390 1.00 0.00 C ATOM 298 CE1 TYR A 20 10.823 -15.527 -3.178 1.00 0.00 C ATOM 299 CE2 TYR A 20 11.819 -17.513 -2.185 1.00 0.00 C ATOM 300 CZ TYR A 20 10.893 -16.932 -3.072 1.00 0.00 C ATOM 301 OH TYR A 20 10.010 -17.720 -3.746 1.00 0.00 O ATOM 0 H TYR A 20 14.642 -12.854 0.812 1.00 0.00 H new ATOM 0 HA TYR A 20 11.957 -13.020 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.013 -13.717 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 20 14.237 -15.039 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 20 11.628 -13.638 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 20 13.330 -17.158 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.112 -15.074 -3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 20 11.892 -18.588 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 20 10.204 -18.662 -3.559 1.00 0.00 H new ATOM 311 N ASP A 21 10.863 -15.024 1.133 1.00 0.00 N ATOM 312 CA ASP A 21 10.178 -16.110 1.822 1.00 0.00 C ATOM 313 C ASP A 21 9.706 -17.110 0.791 1.00 0.00 C ATOM 314 O ASP A 21 8.703 -16.877 0.114 1.00 0.00 O ATOM 315 CB ASP A 21 8.960 -15.607 2.607 1.00 0.00 C ATOM 316 CG ASP A 21 9.255 -15.389 4.078 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.592 -16.362 4.790 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.053 -14.232 4.512 1.00 0.00 O ATOM 0 H ASP A 21 10.312 -14.632 0.370 1.00 0.00 H new ATOM 0 HA ASP A 21 10.876 -16.562 2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.613 -14.671 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.147 -16.327 2.507 1.00 0.00 H new ATOM 323 N GLU A 22 10.386 -18.250 0.702 1.00 0.00 N ATOM 324 CA GLU A 22 9.911 -19.379 -0.092 1.00 0.00 C ATOM 325 C GLU A 22 8.561 -19.904 0.403 1.00 0.00 C ATOM 326 O GLU A 22 7.777 -20.396 -0.405 1.00 0.00 O ATOM 327 CB GLU A 22 10.928 -20.528 -0.154 1.00 0.00 C ATOM 328 CG GLU A 22 11.606 -20.909 1.164 1.00 0.00 C ATOM 329 CD GLU A 22 11.997 -22.384 1.196 1.00 0.00 C ATOM 330 OE1 GLU A 22 12.906 -22.811 0.447 1.00 0.00 O ATOM 331 OE2 GLU A 22 11.373 -23.152 1.951 1.00 0.00 O ATOM 0 H GLU A 22 11.275 -18.417 1.174 1.00 0.00 H new ATOM 0 HA GLU A 22 9.782 -18.991 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.423 -21.411 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.703 -20.260 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.495 -20.294 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.933 -20.693 1.994 1.00 0.00 H new ATOM 338 N THR A 23 8.248 -19.740 1.689 1.00 0.00 N ATOM 339 CA THR A 23 7.010 -20.226 2.308 1.00 0.00 C ATOM 340 C THR A 23 5.752 -19.524 1.776 1.00 0.00 C ATOM 341 O THR A 23 4.642 -19.856 2.196 1.00 0.00 O ATOM 342 CB THR A 23 7.110 -20.100 3.838 1.00 0.00 C ATOM 343 OG1 THR A 23 6.003 -20.733 4.458 1.00 0.00 O ATOM 344 CG2 THR A 23 7.172 -18.646 4.313 1.00 0.00 C ATOM 0 H THR A 23 8.860 -19.255 2.345 1.00 0.00 H new ATOM 0 HA THR A 23 6.902 -21.276 2.035 1.00 0.00 H new ATOM 0 HB THR A 23 8.042 -20.588 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.230 -20.702 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.242 -18.621 5.400 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.047 -18.159 3.882 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.271 -18.121 3.995 1.00 0.00 H new ATOM 352 N SER A 24 5.906 -18.518 0.923 1.00 0.00 N ATOM 353 CA SER A 24 4.798 -17.880 0.234 1.00 0.00 C ATOM 354 C SER A 24 5.205 -17.561 -1.202 1.00 0.00 C ATOM 355 O SER A 24 4.501 -17.942 -2.140 1.00 0.00 O ATOM 356 CB SER A 24 4.345 -16.657 1.041 1.00 0.00 C ATOM 357 OG SER A 24 3.128 -16.171 0.535 1.00 0.00 O ATOM 0 H SER A 24 6.816 -18.120 0.690 1.00 0.00 H new ATOM 0 HA SER A 24 3.937 -18.545 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.230 -16.926 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.105 -15.877 0.993 1.00 0.00 H new ATOM 0 HG SER A 24 3.306 -15.522 -0.178 1.00 0.00 H new ATOM 363 N GLY A 25 6.383 -16.958 -1.377 1.00 0.00 N ATOM 364 CA GLY A 25 6.918 -16.535 -2.659 1.00 0.00 C ATOM 365 C GLY A 25 6.985 -15.015 -2.775 1.00 0.00 C ATOM 366 O GLY A 25 6.651 -14.484 -3.832 1.00 0.00 O ATOM 0 H GLY A 25 7.007 -16.747 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.916 -16.953 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.296 -16.933 -3.461 1.00 0.00 H new ATOM 370 N TYR A 26 7.438 -14.296 -1.740 1.00 0.00 N ATOM 371 CA TYR A 26 7.500 -12.827 -1.728 1.00 0.00 C ATOM 372 C TYR A 26 8.819 -12.338 -1.151 1.00 0.00 C ATOM 373 O TYR A 26 9.575 -13.128 -0.585 1.00 0.00 O ATOM 374 CB TYR A 26 6.337 -12.260 -0.897 1.00 0.00 C ATOM 375 CG TYR A 26 5.009 -12.467 -1.575 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.710 -11.715 -2.721 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.130 -13.470 -1.133 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.561 -12.009 -3.466 1.00 0.00 C ATOM 379 CE2 TYR A 26 2.974 -13.766 -1.873 1.00 0.00 C ATOM 380 CZ TYR A 26 2.702 -13.052 -3.060 1.00 0.00 C ATOM 381 OH TYR A 26 1.632 -13.378 -3.830 1.00 0.00 O ATOM 0 H TYR A 26 7.776 -14.722 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 26 7.422 -12.478 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.323 -12.739 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.497 -11.195 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.364 -10.912 -3.028 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.343 -14.013 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.332 -11.436 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.296 -14.536 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 26 1.142 -14.117 -3.413 1.00 0.00 H new ATOM 391 N TYR A 27 9.077 -11.034 -1.271 1.00 0.00 N ATOM 392 CA TYR A 27 10.215 -10.356 -0.673 1.00 0.00 C ATOM 393 C TYR A 27 9.685 -9.443 0.428 1.00 0.00 C ATOM 394 O TYR A 27 8.791 -8.636 0.175 1.00 0.00 O ATOM 395 CB TYR A 27 10.962 -9.553 -1.744 1.00 0.00 C ATOM 396 CG TYR A 27 11.731 -10.419 -2.717 1.00 0.00 C ATOM 397 CD1 TYR A 27 13.033 -10.846 -2.395 1.00 0.00 C ATOM 398 CD2 TYR A 27 11.136 -10.826 -3.925 1.00 0.00 C ATOM 399 CE1 TYR A 27 13.733 -11.695 -3.266 1.00 0.00 C ATOM 400 CE2 TYR A 27 11.828 -11.684 -4.800 1.00 0.00 C ATOM 401 CZ TYR A 27 13.128 -12.129 -4.464 1.00 0.00 C ATOM 402 OH TYR A 27 13.792 -12.995 -5.273 1.00 0.00 O ATOM 0 H TYR A 27 8.477 -10.406 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 27 10.918 -11.073 -0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.246 -8.945 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.653 -8.866 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.495 -10.519 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.146 -10.479 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.734 -12.016 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.368 -12.001 -5.724 1.00 0.00 H new ATOM 0 HH TYR A 27 13.241 -13.198 -6.057 1.00 0.00 H new ATOM 412 N TYR A 28 10.205 -9.575 1.642 1.00 0.00 N ATOM 413 CA TYR A 28 9.840 -8.756 2.783 1.00 0.00 C ATOM 414 C TYR A 28 10.735 -7.526 2.797 1.00 0.00 C ATOM 415 O TYR A 28 11.933 -7.660 2.559 1.00 0.00 O ATOM 416 CB TYR A 28 10.047 -9.584 4.055 1.00 0.00 C ATOM 417 CG TYR A 28 9.806 -8.815 5.332 1.00 0.00 C ATOM 418 CD1 TYR A 28 8.570 -8.178 5.539 1.00 0.00 C ATOM 419 CD2 TYR A 28 10.826 -8.714 6.296 1.00 0.00 C ATOM 420 CE1 TYR A 28 8.341 -7.451 6.715 1.00 0.00 C ATOM 421 CE2 TYR A 28 10.618 -7.965 7.465 1.00 0.00 C ATOM 422 CZ TYR A 28 9.371 -7.333 7.672 1.00 0.00 C ATOM 423 OH TYR A 28 9.152 -6.622 8.803 1.00 0.00 O ATOM 0 H TYR A 28 10.912 -10.276 1.862 1.00 0.00 H new ATOM 0 HA TYR A 28 8.799 -8.439 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.379 -10.445 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.066 -9.972 4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.795 -8.249 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 28 11.770 -9.213 6.136 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.383 -6.984 6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.404 -7.873 8.200 1.00 0.00 H new ATOM 0 HH TYR A 28 9.958 -6.637 9.360 1.00 0.00 H new ATOM 433 N ASP A 29 10.176 -6.356 3.111 1.00 0.00 N ATOM 434 CA ASP A 29 10.849 -5.065 3.229 1.00 0.00 C ATOM 435 C ASP A 29 11.165 -4.794 4.700 1.00 0.00 C ATOM 436 O ASP A 29 10.354 -4.188 5.399 1.00 0.00 O ATOM 437 CB ASP A 29 10.016 -3.935 2.608 1.00 0.00 C ATOM 438 CG ASP A 29 10.722 -2.571 2.592 1.00 0.00 C ATOM 439 OD1 ASP A 29 11.414 -2.238 3.583 1.00 0.00 O ATOM 440 OD2 ASP A 29 10.560 -1.808 1.615 1.00 0.00 O ATOM 0 H ASP A 29 9.177 -6.282 3.302 1.00 0.00 H new ATOM 0 HA ASP A 29 11.784 -5.100 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.756 -4.209 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.081 -3.842 3.160 1.00 0.00 H new ATOM 445 N PRO A 30 12.302 -5.262 5.235 1.00 0.00 N ATOM 446 CA PRO A 30 12.706 -4.965 6.602 1.00 0.00 C ATOM 447 C PRO A 30 13.127 -3.510 6.816 1.00 0.00 C ATOM 448 O PRO A 30 13.482 -3.137 7.936 1.00 0.00 O ATOM 449 CB PRO A 30 13.894 -5.877 6.868 1.00 0.00 C ATOM 450 CG PRO A 30 14.497 -6.124 5.496 1.00 0.00 C ATOM 451 CD PRO A 30 13.279 -6.113 4.592 1.00 0.00 C ATOM 0 HA PRO A 30 11.865 -5.125 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.613 -5.407 7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.581 -6.809 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.212 -5.348 5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.026 -7.076 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.533 -5.734 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.887 -7.121 4.456 1.00 0.00 H new ATOM 459 N GLN A 31 13.190 -2.696 5.762 1.00 0.00 N ATOM 460 CA GLN A 31 13.486 -1.277 5.921 1.00 0.00 C ATOM 461 C GLN A 31 12.260 -0.564 6.503 1.00 0.00 C ATOM 462 O GLN A 31 12.413 0.474 7.150 1.00 0.00 O ATOM 463 CB GLN A 31 13.875 -0.579 4.600 1.00 0.00 C ATOM 464 CG GLN A 31 14.947 -1.281 3.745 1.00 0.00 C ATOM 465 CD GLN A 31 16.312 -0.592 3.726 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.431 0.620 3.577 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.384 -1.364 3.788 1.00 0.00 N ATOM 0 H GLN A 31 13.041 -2.994 4.798 1.00 0.00 H new ATOM 0 HA GLN A 31 14.344 -1.213 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.975 -0.466 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.229 0.425 4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.076 -2.299 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.581 -1.357 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.281 -2.371 3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 31 18.314 -0.952 3.712 1.00 0.00 H new ATOM 476 N THR A 32 11.049 -1.076 6.244 1.00 0.00 N ATOM 477 CA THR A 32 9.809 -0.369 6.549 1.00 0.00 C ATOM 478 C THR A 32 8.680 -1.246 7.099 1.00 0.00 C ATOM 479 O THR A 32 7.796 -0.707 7.777 1.00 0.00 O ATOM 480 CB THR A 32 9.326 0.368 5.295 1.00 0.00 C ATOM 481 OG1 THR A 32 9.306 -0.488 4.170 1.00 0.00 O ATOM 482 CG2 THR A 32 10.149 1.630 5.001 1.00 0.00 C ATOM 0 H THR A 32 10.907 -1.992 5.817 1.00 0.00 H new ATOM 0 HA THR A 32 10.053 0.325 7.354 1.00 0.00 H new ATOM 0 HB THR A 32 8.305 0.690 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.481 0.033 3.359 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.765 2.114 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.074 2.318 5.844 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.193 1.356 4.848 1.00 0.00 H new ATOM 490 N GLY A 33 8.682 -2.553 6.819 1.00 0.00 N ATOM 491 CA GLY A 33 7.693 -3.503 7.328 1.00 0.00 C ATOM 492 C GLY A 33 6.661 -3.913 6.275 1.00 0.00 C ATOM 493 O GLY A 33 5.634 -4.516 6.601 1.00 0.00 O ATOM 0 H GLY A 33 9.385 -2.987 6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.206 -4.393 7.692 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.178 -3.061 8.181 1.00 0.00 H new ATOM 497 N LEU A 34 6.887 -3.545 5.017 1.00 0.00 N ATOM 498 CA LEU A 34 6.041 -3.871 3.872 1.00 0.00 C ATOM 499 C LEU A 34 6.512 -5.202 3.262 1.00 0.00 C ATOM 500 O LEU A 34 7.474 -5.797 3.740 1.00 0.00 O ATOM 501 CB LEU A 34 6.123 -2.696 2.880 1.00 0.00 C ATOM 502 CG LEU A 34 5.523 -1.391 3.455 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.102 -0.171 2.734 1.00 0.00 C ATOM 504 CD2 LEU A 34 3.996 -1.402 3.350 1.00 0.00 C ATOM 0 H LEU A 34 7.700 -2.987 4.756 1.00 0.00 H new ATOM 0 HA LEU A 34 4.998 -4.005 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.165 -2.525 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.596 -2.961 1.963 1.00 0.00 H new ATOM 0 HG LEU A 34 5.791 -1.329 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.669 0.738 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.184 -0.151 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.866 -0.230 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.596 -0.475 3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.704 -1.491 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.599 -2.248 3.911 1.00 0.00 H new ATOM 516 N TYR A 35 5.863 -5.675 2.200 1.00 0.00 N ATOM 517 CA TYR A 35 6.389 -6.697 1.296 1.00 0.00 C ATOM 518 C TYR A 35 6.373 -6.149 -0.132 1.00 0.00 C ATOM 519 O TYR A 35 5.791 -5.091 -0.388 1.00 0.00 O ATOM 520 CB TYR A 35 5.554 -7.983 1.382 1.00 0.00 C ATOM 521 CG TYR A 35 5.765 -8.848 2.606 1.00 0.00 C ATOM 522 CD1 TYR A 35 5.116 -8.532 3.816 1.00 0.00 C ATOM 523 CD2 TYR A 35 6.536 -10.024 2.511 1.00 0.00 C ATOM 524 CE1 TYR A 35 5.213 -9.401 4.920 1.00 0.00 C ATOM 525 CE2 TYR A 35 6.633 -10.888 3.608 1.00 0.00 C ATOM 526 CZ TYR A 35 5.958 -10.597 4.808 1.00 0.00 C ATOM 527 OH TYR A 35 5.980 -11.505 5.817 1.00 0.00 O ATOM 0 H TYR A 35 4.933 -5.350 1.937 1.00 0.00 H new ATOM 0 HA TYR A 35 7.411 -6.943 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.500 -7.708 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.765 -8.586 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.542 -7.621 3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.052 -10.259 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.720 -9.155 5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.230 -11.785 3.533 1.00 0.00 H new ATOM 0 HH TYR A 35 6.544 -12.265 5.561 1.00 0.00 H new ATOM 537 N TYR A 36 6.985 -6.889 -1.054 1.00 0.00 N ATOM 538 CA TYR A 36 7.113 -6.627 -2.477 1.00 0.00 C ATOM 539 C TYR A 36 7.014 -7.962 -3.224 1.00 0.00 C ATOM 540 O TYR A 36 7.289 -9.028 -2.658 1.00 0.00 O ATOM 541 CB TYR A 36 8.477 -5.959 -2.698 1.00 0.00 C ATOM 542 CG TYR A 36 8.894 -5.735 -4.137 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.496 -4.570 -4.821 1.00 0.00 C ATOM 544 CD2 TYR A 36 9.759 -6.653 -4.763 1.00 0.00 C ATOM 545 CE1 TYR A 36 8.956 -4.327 -6.127 1.00 0.00 C ATOM 546 CE2 TYR A 36 10.240 -6.407 -6.059 1.00 0.00 C ATOM 547 CZ TYR A 36 9.824 -5.253 -6.751 1.00 0.00 C ATOM 548 OH TYR A 36 10.281 -5.041 -8.014 1.00 0.00 O ATOM 0 H TYR A 36 7.443 -7.763 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 36 6.327 -5.969 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.471 -4.994 -2.190 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.239 -6.570 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.836 -3.862 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.054 -7.552 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.647 -3.435 -6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.926 -7.100 -6.523 1.00 0.00 H new ATOM 0 HH TYR A 36 10.867 -5.781 -8.278 1.00 0.00 H new ATOM 558 N ASP A 37 6.686 -7.904 -4.517 1.00 0.00 N ATOM 559 CA ASP A 37 6.661 -9.053 -5.418 1.00 0.00 C ATOM 560 C ASP A 37 7.500 -8.716 -6.653 1.00 0.00 C ATOM 561 O ASP A 37 7.491 -7.567 -7.106 1.00 0.00 O ATOM 562 CB ASP A 37 5.223 -9.347 -5.842 1.00 0.00 C ATOM 563 CG ASP A 37 5.130 -10.493 -6.848 1.00 0.00 C ATOM 564 OD1 ASP A 37 5.272 -10.232 -8.064 1.00 0.00 O ATOM 565 OD2 ASP A 37 4.879 -11.639 -6.432 1.00 0.00 O ATOM 0 H ASP A 37 6.424 -7.032 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 37 7.066 -9.931 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.631 -9.593 -4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.786 -8.449 -6.278 1.00 0.00 H new ATOM 570 N PRO A 38 8.220 -9.686 -7.233 1.00 0.00 N ATOM 571 CA PRO A 38 9.150 -9.411 -8.311 1.00 0.00 C ATOM 572 C PRO A 38 8.463 -9.140 -9.648 1.00 0.00 C ATOM 573 O PRO A 38 8.966 -8.323 -10.423 1.00 0.00 O ATOM 574 CB PRO A 38 10.053 -10.646 -8.389 1.00 0.00 C ATOM 575 CG PRO A 38 9.162 -11.768 -7.857 1.00 0.00 C ATOM 576 CD PRO A 38 8.355 -11.059 -6.782 1.00 0.00 C ATOM 0 HA PRO A 38 9.710 -8.498 -8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.379 -10.842 -9.410 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.952 -10.526 -7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.524 -12.184 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.747 -12.593 -7.449 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.379 -11.526 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.861 -11.106 -5.818 1.00 0.00 H new ATOM 584 N ASN A 39 7.344 -9.802 -9.950 1.00 0.00 N ATOM 585 CA ASN A 39 6.586 -9.530 -11.167 1.00 0.00 C ATOM 586 C ASN A 39 5.657 -8.338 -10.974 1.00 0.00 C ATOM 587 O ASN A 39 5.258 -7.724 -11.962 1.00 0.00 O ATOM 588 CB ASN A 39 5.780 -10.765 -11.603 1.00 0.00 C ATOM 589 CG ASN A 39 6.476 -11.442 -12.769 1.00 0.00 C ATOM 590 OD1 ASN A 39 6.436 -10.950 -13.894 1.00 0.00 O ATOM 591 ND2 ASN A 39 7.165 -12.538 -12.515 1.00 0.00 N ATOM 0 H ASN A 39 6.943 -10.534 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 39 7.300 -9.289 -11.954 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.684 -11.461 -10.770 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.771 -10.470 -11.890 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.683 -13.000 -13.263 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.180 -12.924 -11.571 1.00 0.00 H new ATOM 598 N SER A 40 5.303 -7.993 -9.739 1.00 0.00 N ATOM 599 CA SER A 40 4.231 -7.073 -9.414 1.00 0.00 C ATOM 600 C SER A 40 4.780 -6.068 -8.420 1.00 0.00 C ATOM 601 O SER A 40 4.677 -6.253 -7.207 1.00 0.00 O ATOM 602 CB SER A 40 3.026 -7.886 -8.927 1.00 0.00 C ATOM 603 OG SER A 40 1.911 -7.121 -8.526 1.00 0.00 O ATOM 0 H SER A 40 5.774 -8.362 -8.913 1.00 0.00 H new ATOM 0 HA SER A 40 3.871 -6.500 -10.268 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.716 -8.561 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.341 -8.507 -8.089 1.00 0.00 H new ATOM 0 HG SER A 40 2.009 -6.203 -8.855 1.00 0.00 H new ATOM 609 N GLN A 41 5.338 -4.978 -8.955 1.00 0.00 N ATOM 610 CA GLN A 41 5.971 -3.902 -8.192 1.00 0.00 C ATOM 611 C GLN A 41 5.041 -3.278 -7.134 1.00 0.00 C ATOM 612 O GLN A 41 5.494 -2.465 -6.330 1.00 0.00 O ATOM 613 CB GLN A 41 6.507 -2.809 -9.135 1.00 0.00 C ATOM 614 CG GLN A 41 7.888 -3.091 -9.740 1.00 0.00 C ATOM 615 CD GLN A 41 7.911 -4.215 -10.767 1.00 0.00 C ATOM 616 OE1 GLN A 41 7.686 -3.981 -11.956 1.00 0.00 O ATOM 617 NE2 GLN A 41 8.119 -5.449 -10.337 1.00 0.00 N ATOM 0 H GLN A 41 5.362 -4.817 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 41 6.801 -4.359 -7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.793 -2.670 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.553 -1.868 -8.586 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.258 -2.179 -10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.580 -3.338 -8.935 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.304 -5.620 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.095 -6.229 -10.994 1.00 0.00 H new ATOM 626 N TYR A 42 3.751 -3.613 -7.131 1.00 0.00 N ATOM 627 CA TYR A 42 2.805 -3.264 -6.090 1.00 0.00 C ATOM 628 C TYR A 42 3.246 -3.925 -4.780 1.00 0.00 C ATOM 629 O TYR A 42 3.158 -5.148 -4.615 1.00 0.00 O ATOM 630 CB TYR A 42 1.380 -3.643 -6.527 1.00 0.00 C ATOM 631 CG TYR A 42 1.048 -3.195 -7.938 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.298 -1.866 -8.327 1.00 0.00 C ATOM 633 CD2 TYR A 42 0.572 -4.122 -8.882 1.00 0.00 C ATOM 634 CE1 TYR A 42 1.132 -1.471 -9.662 1.00 0.00 C ATOM 635 CE2 TYR A 42 0.348 -3.723 -10.207 1.00 0.00 C ATOM 636 CZ TYR A 42 0.666 -2.409 -10.619 1.00 0.00 C ATOM 637 OH TYR A 42 0.477 -2.053 -11.917 1.00 0.00 O ATOM 0 H TYR A 42 3.328 -4.155 -7.885 1.00 0.00 H new ATOM 0 HA TYR A 42 2.789 -2.188 -5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.262 -4.724 -6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.665 -3.200 -5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.620 -1.144 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.379 -5.142 -8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.358 -0.458 -9.960 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.069 -4.423 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 42 0.155 -2.827 -12.425 1.00 0.00 H new ATOM 647 N TYR A 43 3.760 -3.110 -3.864 1.00 0.00 N ATOM 648 CA TYR A 43 4.064 -3.489 -2.497 1.00 0.00 C ATOM 649 C TYR A 43 2.786 -3.957 -1.808 1.00 0.00 C ATOM 650 O TYR A 43 1.680 -3.548 -2.170 1.00 0.00 O ATOM 651 CB TYR A 43 4.660 -2.290 -1.743 1.00 0.00 C ATOM 652 CG TYR A 43 6.121 -2.003 -2.042 1.00 0.00 C ATOM 653 CD1 TYR A 43 6.508 -1.475 -3.287 1.00 0.00 C ATOM 654 CD2 TYR A 43 7.105 -2.263 -1.069 1.00 0.00 C ATOM 655 CE1 TYR A 43 7.861 -1.216 -3.561 1.00 0.00 C ATOM 656 CE2 TYR A 43 8.460 -1.999 -1.332 1.00 0.00 C ATOM 657 CZ TYR A 43 8.848 -1.477 -2.587 1.00 0.00 C ATOM 658 OH TYR A 43 10.154 -1.224 -2.883 1.00 0.00 O ATOM 0 H TYR A 43 3.982 -2.135 -4.065 1.00 0.00 H new ATOM 0 HA TYR A 43 4.792 -4.300 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.075 -1.402 -1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.551 -2.463 -0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.760 -1.267 -4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.816 -2.669 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.147 -0.815 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.205 -2.195 -0.575 1.00 0.00 H new ATOM 0 HH TYR A 43 10.722 -1.534 -2.147 1.00 0.00 H new ATOM 668 N TYR A 44 2.952 -4.762 -0.766 1.00 0.00 N ATOM 669 CA TYR A 44 1.875 -5.278 0.051 1.00 0.00 C ATOM 670 C TYR A 44 2.061 -4.752 1.466 1.00 0.00 C ATOM 671 O TYR A 44 3.120 -4.892 2.081 1.00 0.00 O ATOM 672 CB TYR A 44 1.834 -6.803 -0.019 1.00 0.00 C ATOM 673 CG TYR A 44 0.814 -7.419 0.913 1.00 0.00 C ATOM 674 CD1 TYR A 44 -0.556 -7.346 0.598 1.00 0.00 C ATOM 675 CD2 TYR A 44 1.233 -8.066 2.092 1.00 0.00 C ATOM 676 CE1 TYR A 44 -1.506 -7.956 1.434 1.00 0.00 C ATOM 677 CE2 TYR A 44 0.285 -8.677 2.932 1.00 0.00 C ATOM 678 CZ TYR A 44 -1.086 -8.631 2.602 1.00 0.00 C ATOM 679 OH TYR A 44 -2.004 -9.239 3.401 1.00 0.00 O ATOM 0 H TYR A 44 3.872 -5.080 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 44 0.908 -4.937 -0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.611 -7.107 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.821 -7.197 0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.878 -6.820 -0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.281 -8.093 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.556 -7.909 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.607 -9.182 3.831 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.549 -9.658 4.161 1.00 0.00 H new ATOM 689 N ASN A 45 1.021 -4.097 1.960 1.00 0.00 N ATOM 690 CA ASN A 45 0.891 -3.562 3.297 1.00 0.00 C ATOM 691 C ASN A 45 0.091 -4.558 4.121 1.00 0.00 C ATOM 692 O ASN A 45 -1.122 -4.404 4.274 1.00 0.00 O ATOM 693 CB ASN A 45 0.187 -2.204 3.231 1.00 0.00 C ATOM 694 CG ASN A 45 -0.101 -1.668 4.620 1.00 0.00 C ATOM 695 OD1 ASN A 45 0.763 -1.617 5.484 1.00 0.00 O ATOM 696 ND2 ASN A 45 -1.343 -1.300 4.874 1.00 0.00 N ATOM 0 H ASN A 45 0.192 -3.916 1.394 1.00 0.00 H new ATOM 0 HA ASN A 45 1.866 -3.412 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.810 -1.494 2.686 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.746 -2.301 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.596 -0.966 5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.050 -1.350 4.140 1.00 0.00 H new ATOM 703 N ALA A 46 0.767 -5.564 4.675 1.00 0.00 N ATOM 704 CA ALA A 46 0.178 -6.559 5.571 1.00 0.00 C ATOM 705 C ALA A 46 -0.551 -5.912 6.756 1.00 0.00 C ATOM 706 O ALA A 46 -1.493 -6.485 7.304 1.00 0.00 O ATOM 707 CB ALA A 46 1.290 -7.458 6.110 1.00 0.00 C ATOM 0 H ALA A 46 1.762 -5.713 4.510 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.553 -7.132 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.862 -8.204 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.788 -7.959 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.014 -6.853 6.656 1.00 0.00 H new ATOM 713 N GLN A 47 -0.139 -4.702 7.145 1.00 0.00 N ATOM 714 CA GLN A 47 -0.756 -3.926 8.198 1.00 0.00 C ATOM 715 C GLN A 47 -2.267 -3.771 7.991 1.00 0.00 C ATOM 716 O GLN A 47 -3.013 -3.951 8.954 1.00 0.00 O ATOM 717 CB GLN A 47 -0.044 -2.570 8.273 1.00 0.00 C ATOM 718 CG GLN A 47 0.244 -2.204 9.718 1.00 0.00 C ATOM 719 CD GLN A 47 1.069 -0.917 9.826 1.00 0.00 C ATOM 720 OE1 GLN A 47 2.153 -0.911 10.407 1.00 0.00 O ATOM 721 NE2 GLN A 47 0.625 0.172 9.218 1.00 0.00 N ATOM 0 H GLN A 47 0.658 -4.231 6.716 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.646 -4.450 9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.888 -2.609 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.664 -1.800 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.696 -2.079 10.256 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.781 -3.021 10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.275 0.157 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.183 1.026 9.229 1.00 0.00 H new ATOM 730 N SER A 48 -2.705 -3.526 6.752 1.00 0.00 N ATOM 731 CA SER A 48 -4.105 -3.346 6.375 1.00 0.00 C ATOM 732 C SER A 48 -4.498 -4.252 5.200 1.00 0.00 C ATOM 733 O SER A 48 -5.467 -3.966 4.501 1.00 0.00 O ATOM 734 CB SER A 48 -4.345 -1.886 5.985 1.00 0.00 C ATOM 735 OG SER A 48 -3.865 -0.979 6.961 1.00 0.00 O ATOM 0 H SER A 48 -2.070 -3.445 5.958 1.00 0.00 H new ATOM 0 HA SER A 48 -4.719 -3.617 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.856 -1.682 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.413 -1.724 5.836 1.00 0.00 H new ATOM 0 HG SER A 48 -4.039 -0.060 6.667 1.00 0.00 H new ATOM 741 N GLN A 49 -3.687 -5.270 4.901 1.00 0.00 N ATOM 742 CA GLN A 49 -3.770 -6.153 3.734 1.00 0.00 C ATOM 743 C GLN A 49 -3.880 -5.416 2.387 1.00 0.00 C ATOM 744 O GLN A 49 -4.329 -5.984 1.394 1.00 0.00 O ATOM 745 CB GLN A 49 -4.897 -7.184 3.938 1.00 0.00 C ATOM 746 CG GLN A 49 -4.872 -7.797 5.346 1.00 0.00 C ATOM 747 CD GLN A 49 -5.847 -8.953 5.502 1.00 0.00 C ATOM 748 OE1 GLN A 49 -7.012 -8.884 5.121 1.00 0.00 O ATOM 749 NE2 GLN A 49 -5.401 -10.033 6.119 1.00 0.00 N ATOM 0 H GLN A 49 -2.904 -5.516 5.507 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.818 -6.679 3.666 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.861 -6.705 3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.801 -7.977 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.863 -8.146 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.110 -7.025 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.431 -10.078 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.027 -10.821 6.283 1.00 0.00 H new ATOM 758 N GLN A 50 -3.507 -4.136 2.351 1.00 0.00 N ATOM 759 CA GLN A 50 -3.724 -3.257 1.213 1.00 0.00 C ATOM 760 C GLN A 50 -2.513 -3.306 0.283 1.00 0.00 C ATOM 761 O GLN A 50 -1.414 -3.659 0.713 1.00 0.00 O ATOM 762 CB GLN A 50 -4.042 -1.839 1.730 1.00 0.00 C ATOM 763 CG GLN A 50 -5.301 -1.222 1.096 1.00 0.00 C ATOM 764 CD GLN A 50 -6.622 -1.979 1.307 1.00 0.00 C ATOM 765 OE1 GLN A 50 -7.650 -1.621 0.740 1.00 0.00 O ATOM 766 NE2 GLN A 50 -6.694 -2.989 2.156 1.00 0.00 N ATOM 0 H GLN A 50 -3.036 -3.677 3.131 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.579 -3.586 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.170 -1.876 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.190 -1.189 1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.421 -0.213 1.490 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.131 -1.128 0.024 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.856 -3.308 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.588 -3.450 2.326 1.00 0.00 H new ATOM 775 N TYR A 51 -2.678 -2.925 -0.980 1.00 0.00 N ATOM 776 CA TYR A 51 -1.579 -2.824 -1.931 1.00 0.00 C ATOM 777 C TYR A 51 -1.143 -1.366 -2.015 1.00 0.00 C ATOM 778 O TYR A 51 -1.953 -0.447 -1.901 1.00 0.00 O ATOM 779 CB TYR A 51 -2.008 -3.349 -3.310 1.00 0.00 C ATOM 780 CG TYR A 51 -1.995 -4.862 -3.514 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.464 -5.763 -2.532 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.531 -5.372 -4.743 1.00 0.00 C ATOM 783 CE1 TYR A 51 -2.473 -7.148 -2.781 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.546 -6.753 -5.002 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.039 -7.648 -4.030 1.00 0.00 C ATOM 786 OH TYR A 51 -2.209 -8.963 -4.333 1.00 0.00 O ATOM 0 H TYR A 51 -3.585 -2.676 -1.374 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.741 -3.435 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.018 -2.990 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.356 -2.901 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.818 -5.386 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.159 -4.693 -5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.812 -7.831 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.180 -7.129 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.857 -9.140 -5.230 1.00 0.00 H new ATOM 796 N LEU A 52 0.147 -1.145 -2.231 1.00 0.00 N ATOM 797 CA LEU A 52 0.776 0.163 -2.333 1.00 0.00 C ATOM 798 C LEU A 52 1.816 0.100 -3.459 1.00 0.00 C ATOM 799 O LEU A 52 1.973 -0.937 -4.100 1.00 0.00 O ATOM 800 CB LEU A 52 1.440 0.551 -0.999 1.00 0.00 C ATOM 801 CG LEU A 52 0.551 0.614 0.259 1.00 0.00 C ATOM 802 CD1 LEU A 52 1.443 0.908 1.460 1.00 0.00 C ATOM 803 CD2 LEU A 52 -0.528 1.701 0.246 1.00 0.00 C ATOM 0 H LEU A 52 0.813 -1.909 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 52 0.028 0.924 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.243 -0.161 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.905 1.528 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 52 0.040 -0.348 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.834 0.957 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.184 0.116 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.950 1.862 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.097 1.660 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.057 2.680 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.199 1.538 -0.598 1.00 0.00 H new ATOM 815 N TYR A 53 2.547 1.180 -3.706 1.00 0.00 N ATOM 816 CA TYR A 53 3.727 1.217 -4.555 1.00 0.00 C ATOM 817 C TYR A 53 4.731 2.186 -3.934 1.00 0.00 C ATOM 818 O TYR A 53 4.330 3.135 -3.252 1.00 0.00 O ATOM 819 CB TYR A 53 3.344 1.587 -5.998 1.00 0.00 C ATOM 820 CG TYR A 53 2.817 2.989 -6.261 1.00 0.00 C ATOM 821 CD1 TYR A 53 1.497 3.329 -5.912 1.00 0.00 C ATOM 822 CD2 TYR A 53 3.610 3.923 -6.955 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.956 4.572 -6.273 1.00 0.00 C ATOM 824 CE2 TYR A 53 3.080 5.175 -7.319 1.00 0.00 C ATOM 825 CZ TYR A 53 1.745 5.498 -6.990 1.00 0.00 C ATOM 826 OH TYR A 53 1.193 6.679 -7.383 1.00 0.00 O ATOM 0 H TYR A 53 2.323 2.090 -3.303 1.00 0.00 H new ATOM 0 HA TYR A 53 4.194 0.234 -4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.223 1.438 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.588 0.878 -6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.893 2.625 -5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.630 3.677 -7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.060 4.820 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.694 5.888 -7.849 1.00 0.00 H new ATOM 0 HH TYR A 53 1.862 7.209 -7.865 1.00 0.00 H new ATOM 836 N TRP A 54 6.027 1.936 -4.139 1.00 0.00 N ATOM 837 CA TRP A 54 7.075 2.898 -3.821 1.00 0.00 C ATOM 838 C TRP A 54 7.207 3.811 -5.030 1.00 0.00 C ATOM 839 O TRP A 54 7.179 3.331 -6.168 1.00 0.00 O ATOM 840 CB TRP A 54 8.414 2.197 -3.542 1.00 0.00 C ATOM 841 CG TRP A 54 9.610 3.104 -3.555 1.00 0.00 C ATOM 842 CD1 TRP A 54 10.524 3.176 -4.549 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.981 4.152 -2.610 1.00 0.00 C ATOM 844 NE1 TRP A 54 11.446 4.162 -4.272 1.00 0.00 N ATOM 845 CE2 TRP A 54 11.162 4.802 -3.081 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.413 4.635 -1.415 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.767 5.855 -2.375 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.008 5.684 -0.694 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.190 6.285 -1.165 1.00 0.00 C ATOM 0 H TRP A 54 6.375 1.060 -4.530 1.00 0.00 H new ATOM 0 HA TRP A 54 6.816 3.456 -2.921 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.357 1.707 -2.570 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.561 1.414 -4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.530 2.552 -5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 54 12.239 4.391 -4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.501 4.190 -1.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.661 6.327 -2.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.557 6.030 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.655 7.077 -0.597 1.00 0.00 H new ATOM 860 N ASP A 55 7.383 5.106 -4.791 1.00 0.00 N ATOM 861 CA ASP A 55 7.436 6.100 -5.843 1.00 0.00 C ATOM 862 C ASP A 55 8.594 7.057 -5.599 1.00 0.00 C ATOM 863 O ASP A 55 8.569 7.834 -4.643 1.00 0.00 O ATOM 864 CB ASP A 55 6.119 6.873 -5.887 1.00 0.00 C ATOM 865 CG ASP A 55 6.286 8.085 -6.788 1.00 0.00 C ATOM 866 OD1 ASP A 55 6.868 7.920 -7.884 1.00 0.00 O ATOM 867 OD2 ASP A 55 5.916 9.189 -6.320 1.00 0.00 O ATOM 0 H ASP A 55 7.493 5.492 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 55 7.590 5.600 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.319 6.233 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.833 7.187 -4.883 1.00 0.00 H new ATOM 872 N GLY A 56 9.597 7.035 -6.475 1.00 0.00 N ATOM 873 CA GLY A 56 10.732 7.942 -6.423 1.00 0.00 C ATOM 874 C GLY A 56 10.397 9.367 -6.878 1.00 0.00 C ATOM 875 O GLY A 56 11.205 10.275 -6.655 1.00 0.00 O ATOM 0 H GLY A 56 9.640 6.375 -7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.114 7.975 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.531 7.547 -7.050 1.00 0.00 H new ATOM 879 N GLU A 57 9.232 9.610 -7.494 1.00 0.00 N ATOM 880 CA GLU A 57 8.826 10.961 -7.880 1.00 0.00 C ATOM 881 C GLU A 57 8.574 11.785 -6.614 1.00 0.00 C ATOM 882 O GLU A 57 8.909 12.969 -6.569 1.00 0.00 O ATOM 883 CB GLU A 57 7.575 10.964 -8.775 1.00 0.00 C ATOM 884 CG GLU A 57 7.673 10.081 -10.035 1.00 0.00 C ATOM 885 CD GLU A 57 7.687 10.888 -11.327 1.00 0.00 C ATOM 886 OE1 GLU A 57 6.669 11.532 -11.639 1.00 0.00 O ATOM 887 OE2 GLU A 57 8.687 10.794 -12.083 1.00 0.00 O ATOM 0 H GLU A 57 8.556 8.885 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 57 9.632 11.403 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.722 10.632 -8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.370 11.989 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.579 9.478 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.831 9.390 -10.054 1.00 0.00 H new ATOM 894 N ARG A 58 8.047 11.152 -5.561 1.00 0.00 N ATOM 895 CA ARG A 58 7.696 11.797 -4.295 1.00 0.00 C ATOM 896 C ARG A 58 8.453 11.208 -3.100 1.00 0.00 C ATOM 897 O ARG A 58 8.338 11.754 -2.004 1.00 0.00 O ATOM 898 CB ARG A 58 6.173 11.705 -4.117 1.00 0.00 C ATOM 899 CG ARG A 58 5.400 12.456 -5.220 1.00 0.00 C ATOM 900 CD ARG A 58 3.912 12.125 -5.092 1.00 0.00 C ATOM 901 NE ARG A 58 3.010 13.153 -5.625 1.00 0.00 N ATOM 902 CZ ARG A 58 2.375 13.101 -6.802 1.00 0.00 C ATOM 903 NH1 ARG A 58 2.689 12.202 -7.729 1.00 0.00 N ATOM 904 NH2 ARG A 58 1.397 13.960 -7.043 1.00 0.00 N ATOM 0 H ARG A 58 7.848 10.152 -5.567 1.00 0.00 H new ATOM 0 HA ARG A 58 8.000 12.843 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.874 10.657 -4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.899 12.114 -3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.557 13.531 -5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.768 12.165 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.716 11.185 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.678 11.965 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 58 2.853 13.979 -5.048 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.432 11.526 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.186 12.188 -8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.137 14.648 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.903 13.933 -7.935 1.00 0.00 H new ATOM 918 N ARG A 59 9.255 10.154 -3.295 1.00 0.00 N ATOM 919 CA ARG A 59 9.947 9.374 -2.260 1.00 0.00 C ATOM 920 C ARG A 59 8.975 8.976 -1.152 1.00 0.00 C ATOM 921 O ARG A 59 9.240 9.217 0.025 1.00 0.00 O ATOM 922 CB ARG A 59 11.199 10.104 -1.728 1.00 0.00 C ATOM 923 CG ARG A 59 12.211 10.463 -2.825 1.00 0.00 C ATOM 924 CD ARG A 59 13.346 11.331 -2.262 1.00 0.00 C ATOM 925 NE ARG A 59 14.609 10.589 -2.122 1.00 0.00 N ATOM 926 CZ ARG A 59 15.604 10.558 -3.020 1.00 0.00 C ATOM 927 NH1 ARG A 59 15.502 11.126 -4.218 1.00 0.00 N ATOM 928 NH2 ARG A 59 16.738 9.945 -2.712 1.00 0.00 N ATOM 0 H ARG A 59 9.450 9.802 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 59 10.315 8.453 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.889 11.016 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.689 9.474 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.625 9.551 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.706 10.996 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.503 12.188 -2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.050 11.724 -1.289 1.00 0.00 H new ATOM 0 HE ARG A 59 14.739 10.050 -1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.643 11.608 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.283 11.080 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.847 9.503 -1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.502 9.915 -3.388 1.00 0.00 H new ATOM 942 N THR A 60 7.837 8.380 -1.497 1.00 0.00 N ATOM 943 CA THR A 60 6.859 7.973 -0.499 1.00 0.00 C ATOM 944 C THR A 60 6.169 6.687 -0.978 1.00 0.00 C ATOM 945 O THR A 60 6.407 6.225 -2.099 1.00 0.00 O ATOM 946 CB THR A 60 5.942 9.186 -0.203 1.00 0.00 C ATOM 947 OG1 THR A 60 5.366 9.113 1.089 1.00 0.00 O ATOM 948 CG2 THR A 60 4.833 9.373 -1.239 1.00 0.00 C ATOM 0 H THR A 60 7.572 8.169 -2.459 1.00 0.00 H new ATOM 0 HA THR A 60 7.299 7.705 0.462 1.00 0.00 H new ATOM 0 HB THR A 60 6.600 10.054 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.796 9.896 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.228 10.239 -0.972 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.276 9.529 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.203 8.484 -1.262 1.00 0.00 H new ATOM 956 N TYR A 61 5.331 6.108 -0.119 1.00 0.00 N ATOM 957 CA TYR A 61 4.586 4.877 -0.374 1.00 0.00 C ATOM 958 C TYR A 61 3.102 5.223 -0.495 1.00 0.00 C ATOM 959 O TYR A 61 2.520 5.803 0.426 1.00 0.00 O ATOM 960 CB TYR A 61 4.835 3.850 0.736 1.00 0.00 C ATOM 961 CG TYR A 61 6.268 3.357 0.871 1.00 0.00 C ATOM 962 CD1 TYR A 61 6.742 2.308 0.057 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.113 3.902 1.855 1.00 0.00 C ATOM 964 CE1 TYR A 61 7.993 1.715 0.309 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.390 3.355 2.072 1.00 0.00 C ATOM 966 CZ TYR A 61 8.814 2.221 1.342 1.00 0.00 C ATOM 967 OH TYR A 61 9.993 1.615 1.653 1.00 0.00 O ATOM 0 H TYR A 61 5.146 6.497 0.806 1.00 0.00 H new ATOM 0 HA TYR A 61 4.925 4.424 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.530 4.289 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.189 2.989 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.139 1.956 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.780 4.743 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.325 0.876 -0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.050 3.803 2.800 1.00 0.00 H new ATOM 0 HH TYR A 61 10.618 2.280 2.010 1.00 0.00 H new ATOM 977 N VAL A 62 2.502 4.937 -1.645 1.00 0.00 N ATOM 978 CA VAL A 62 1.157 5.370 -2.047 1.00 0.00 C ATOM 979 C VAL A 62 0.280 4.188 -2.471 1.00 0.00 C ATOM 980 O VAL A 62 0.825 3.153 -2.827 1.00 0.00 O ATOM 981 CB VAL A 62 1.256 6.456 -3.137 1.00 0.00 C ATOM 982 CG1 VAL A 62 1.179 7.843 -2.492 1.00 0.00 C ATOM 983 CG2 VAL A 62 2.543 6.377 -3.975 1.00 0.00 C ATOM 0 H VAL A 62 2.957 4.370 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 62 0.661 5.811 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 62 0.419 6.282 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.249 8.608 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.231 7.947 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.002 7.963 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.541 7.172 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.409 6.492 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.592 5.410 -4.476 1.00 0.00 H new ATOM 993 N PRO A 63 -1.061 4.293 -2.422 1.00 0.00 N ATOM 994 CA PRO A 63 -1.945 3.172 -2.721 1.00 0.00 C ATOM 995 C PRO A 63 -2.008 2.878 -4.220 1.00 0.00 C ATOM 996 O PRO A 63 -2.491 3.697 -5.000 1.00 0.00 O ATOM 997 CB PRO A 63 -3.309 3.567 -2.157 1.00 0.00 C ATOM 998 CG PRO A 63 -3.299 5.094 -2.200 1.00 0.00 C ATOM 999 CD PRO A 63 -1.833 5.431 -1.939 1.00 0.00 C ATOM 0 HA PRO A 63 -1.582 2.248 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.122 3.156 -2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.443 3.197 -1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.636 5.474 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.954 5.524 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.545 6.345 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.655 5.599 -0.877 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.592 1.678 -4.637 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.641 1.266 -6.043 1.00 0.00 C ATOM 1009 C ALA A 64 -3.032 0.769 -6.449 1.00 0.00 C ATOM 1010 O ALA A 64 -3.163 -0.076 -7.327 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.556 0.222 -6.329 1.00 0.00 C ATOM 0 H ALA A 64 -1.213 0.967 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.439 2.143 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.604 -0.075 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.424 0.649 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.716 -0.651 -5.697 1.00 0.00 H new ATOM 1017 N LEU A 65 -4.078 1.232 -5.774 1.00 0.00 N ATOM 1018 CA LEU A 65 -5.460 0.884 -6.058 1.00 0.00 C ATOM 1019 C LEU A 65 -6.021 1.850 -7.092 1.00 0.00 C ATOM 1020 O LEU A 65 -6.658 1.411 -8.048 1.00 0.00 O ATOM 1021 CB LEU A 65 -6.299 0.904 -4.775 1.00 0.00 C ATOM 1022 CG LEU A 65 -5.988 -0.294 -3.859 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -4.651 -0.171 -3.128 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -7.093 -0.471 -2.823 1.00 0.00 C ATOM 0 H LEU A 65 -3.982 1.879 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.500 -0.128 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.111 1.831 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.358 0.896 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.927 -1.161 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.497 -1.049 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.843 -0.099 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.658 0.723 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.859 -1.322 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.169 0.430 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.042 -0.648 -3.330 1.00 0.00 H new ATOM 1036 N GLU A 66 -5.721 3.148 -6.946 1.00 0.00 N ATOM 1037 CA GLU A 66 -6.259 4.212 -7.794 1.00 0.00 C ATOM 1038 C GLU A 66 -5.930 3.898 -9.251 1.00 0.00 C ATOM 1039 O GLU A 66 -6.753 4.076 -10.151 1.00 0.00 O ATOM 1040 CB GLU A 66 -5.670 5.575 -7.357 1.00 0.00 C ATOM 1041 CG GLU A 66 -4.437 6.108 -8.117 1.00 0.00 C ATOM 1042 CD GLU A 66 -4.132 7.576 -7.839 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -4.180 7.993 -6.665 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -3.840 8.285 -8.834 1.00 0.00 O ATOM 0 H GLU A 66 -5.088 3.490 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.342 4.271 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.460 6.321 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.406 5.502 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.568 5.508 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.596 5.976 -9.187 1.00 0.00 H new ATOM 1051 N GLN A 67 -4.685 3.466 -9.446 1.00 0.00 N ATOM 1052 CA GLN A 67 -4.073 3.179 -10.728 1.00 0.00 C ATOM 1053 C GLN A 67 -4.357 1.767 -11.237 1.00 0.00 C ATOM 1054 O GLN A 67 -3.884 1.407 -12.312 1.00 0.00 O ATOM 1055 CB GLN A 67 -2.561 3.464 -10.660 1.00 0.00 C ATOM 1056 CG GLN A 67 -1.736 2.433 -9.858 1.00 0.00 C ATOM 1057 CD GLN A 67 -0.659 1.753 -10.714 1.00 0.00 C ATOM 1058 OE1 GLN A 67 0.539 1.919 -10.494 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -1.028 0.980 -11.725 1.00 0.00 N ATOM 0 H GLN A 67 -4.048 3.300 -8.667 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.532 3.844 -11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.169 3.509 -11.676 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.412 4.449 -10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.263 2.930 -9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.405 1.675 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.018 0.833 -11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.322 0.532 -12.309 1.00 0.00 H new ATOM 1068 N SER A 68 -5.082 0.965 -10.466 1.00 0.00 N ATOM 1069 CA SER A 68 -5.317 -0.449 -10.731 1.00 0.00 C ATOM 1070 C SER A 68 -6.574 -0.681 -11.571 1.00 0.00 C ATOM 1071 O SER A 68 -6.985 -1.830 -11.702 1.00 0.00 O ATOM 1072 CB SER A 68 -5.364 -1.226 -9.401 1.00 0.00 C ATOM 1073 OG SER A 68 -4.361 -2.225 -9.351 1.00 0.00 O ATOM 0 H SER A 68 -5.536 1.291 -9.613 1.00 0.00 H new ATOM 0 HA SER A 68 -4.486 -0.827 -11.327 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.233 -0.534 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.345 -1.686 -9.281 1.00 0.00 H new ATOM 0 HG SER A 68 -4.415 -2.700 -8.495 1.00 0.00 H new ATOM 1079 N ALA A 69 -7.178 0.362 -12.149 1.00 0.00 N ATOM 1080 CA ALA A 69 -8.432 0.287 -12.892 1.00 0.00 C ATOM 1081 C ALA A 69 -9.519 -0.433 -12.084 1.00 0.00 C ATOM 1082 O ALA A 69 -10.009 -1.496 -12.473 1.00 0.00 O ATOM 1083 CB ALA A 69 -8.200 -0.307 -14.292 1.00 0.00 C ATOM 0 H ALA A 69 -6.794 1.306 -12.110 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.810 1.297 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.147 -0.354 -14.829 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.501 0.323 -14.843 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.786 -1.311 -14.197 1.00 0.00 H new ATOM 1089 N ASP A 70 -9.930 0.215 -10.986 1.00 0.00 N ATOM 1090 CA ASP A 70 -11.160 -0.090 -10.249 1.00 0.00 C ATOM 1091 C ASP A 70 -12.354 -0.031 -11.199 1.00 0.00 C ATOM 1092 O ASP A 70 -13.316 -0.799 -11.092 1.00 0.00 O ATOM 1093 CB ASP A 70 -11.375 0.949 -9.127 1.00 0.00 C ATOM 1094 CG ASP A 70 -11.111 0.385 -7.743 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -11.957 -0.384 -7.250 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -10.047 0.698 -7.151 1.00 0.00 O ATOM 0 H ASP A 70 -9.402 0.985 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.071 -1.087 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.718 1.802 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.399 1.320 -9.174 1.00 0.00 H new ATOM 1101 N GLY A 71 -12.290 0.889 -12.162 1.00 0.00 N ATOM 1102 CA GLY A 71 -13.381 1.190 -13.059 1.00 0.00 C ATOM 1103 C GLY A 71 -14.410 2.004 -12.285 1.00 0.00 C ATOM 1104 O GLY A 71 -14.397 3.233 -12.348 1.00 0.00 O ATOM 0 H GLY A 71 -11.457 1.451 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.022 1.750 -13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.828 0.271 -13.439 1.00 0.00 H new ATOM 1108 N HIS A 72 -15.259 1.319 -11.518 1.00 0.00 N ATOM 1109 CA HIS A 72 -16.387 1.872 -10.766 1.00 0.00 C ATOM 1110 C HIS A 72 -16.776 0.980 -9.577 1.00 0.00 C ATOM 1111 O HIS A 72 -17.955 0.848 -9.238 1.00 0.00 O ATOM 1112 CB HIS A 72 -17.563 2.146 -11.718 1.00 0.00 C ATOM 1113 CG HIS A 72 -18.198 0.953 -12.390 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -19.398 0.972 -13.056 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -17.728 -0.329 -12.420 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -19.658 -0.277 -13.474 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -18.652 -1.106 -13.130 1.00 0.00 N ATOM 0 H HIS A 72 -15.174 0.310 -11.398 1.00 0.00 H new ATOM 0 HA HIS A 72 -16.085 2.823 -10.328 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -18.337 2.670 -11.157 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -17.217 2.827 -12.495 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -16.809 -0.681 -11.976 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -20.547 -0.575 -14.010 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -18.578 -2.101 -13.344 1.00 0.00 H new ATOM 1125 N LYS A 73 -15.793 0.293 -8.990 1.00 0.00 N ATOM 1126 CA LYS A 73 -16.002 -0.664 -7.910 1.00 0.00 C ATOM 1127 C LYS A 73 -15.511 -0.074 -6.590 1.00 0.00 C ATOM 1128 O LYS A 73 -15.318 1.142 -6.466 1.00 0.00 O ATOM 1129 CB LYS A 73 -15.433 -2.045 -8.304 1.00 0.00 C ATOM 1130 CG LYS A 73 -16.430 -2.724 -9.262 1.00 0.00 C ATOM 1131 CD LYS A 73 -16.095 -4.196 -9.507 1.00 0.00 C ATOM 1132 CE LYS A 73 -14.937 -4.372 -10.489 1.00 0.00 C ATOM 1133 NZ LYS A 73 -15.398 -4.467 -11.890 1.00 0.00 N ATOM 0 H LYS A 73 -14.814 0.391 -9.259 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.062 -0.853 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.461 -1.932 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.280 -2.660 -7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.436 -2.647 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.435 -2.192 -10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.840 -4.671 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.977 -4.708 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.250 -3.531 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.379 -5.272 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.578 -4.585 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.033 -5.284 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.908 -3.598 -12.147 1.00 0.00 H new ATOM 1147 N GLU A 74 -15.477 -0.909 -5.561 1.00 0.00 N ATOM 1148 CA GLU A 74 -15.150 -0.600 -4.181 1.00 0.00 C ATOM 1149 C GLU A 74 -14.445 -1.831 -3.604 1.00 0.00 C ATOM 1150 O GLU A 74 -14.498 -2.902 -4.211 1.00 0.00 O ATOM 1151 CB GLU A 74 -16.421 -0.311 -3.363 1.00 0.00 C ATOM 1152 CG GLU A 74 -17.323 0.801 -3.916 1.00 0.00 C ATOM 1153 CD GLU A 74 -18.535 1.017 -3.010 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -18.344 1.484 -1.867 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -19.675 0.695 -3.423 1.00 0.00 O ATOM 0 H GLU A 74 -15.695 -1.898 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.518 0.287 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.005 -1.229 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.126 -0.045 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.756 1.728 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.656 0.540 -4.920 1.00 0.00 H new ATOM 1162 N THR A 75 -13.915 -1.717 -2.385 1.00 0.00 N ATOM 1163 CA THR A 75 -13.303 -2.753 -1.547 1.00 0.00 C ATOM 1164 C THR A 75 -14.137 -4.028 -1.316 1.00 0.00 C ATOM 1165 O THR A 75 -13.711 -4.888 -0.542 1.00 0.00 O ATOM 1166 CB THR A 75 -12.986 -2.135 -0.159 1.00 0.00 C ATOM 1167 OG1 THR A 75 -13.552 -0.843 0.037 1.00 0.00 O ATOM 1168 CG2 THR A 75 -11.483 -2.030 0.092 1.00 0.00 C ATOM 0 H THR A 75 -13.902 -0.812 -1.914 1.00 0.00 H new ATOM 0 HA THR A 75 -12.421 -3.077 -2.100 1.00 0.00 H new ATOM 0 HB THR A 75 -13.443 -2.826 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.316 -0.514 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.308 -1.592 1.075 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.037 -3.024 0.053 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.030 -1.399 -0.672 1.00 0.00 H new ATOM 1176 N GLY A 76 -15.344 -4.136 -1.864 1.00 0.00 N ATOM 1177 CA GLY A 76 -16.338 -5.091 -1.434 1.00 0.00 C ATOM 1178 C GLY A 76 -17.656 -4.842 -2.153 1.00 0.00 C ATOM 1179 O GLY A 76 -17.681 -4.216 -3.220 1.00 0.00 O ATOM 0 H GLY A 76 -15.656 -3.546 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.991 -6.104 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.484 -5.014 -0.356 1.00 0.00 H new ATOM 1183 N ALA A 77 -18.746 -5.348 -1.575 1.00 0.00 N ATOM 1184 CA ALA A 77 -20.113 -5.218 -2.070 1.00 0.00 C ATOM 1185 C ALA A 77 -21.045 -4.838 -0.908 1.00 0.00 C ATOM 1186 O ALA A 77 -20.707 -5.138 0.240 1.00 0.00 O ATOM 1187 CB ALA A 77 -20.531 -6.554 -2.699 1.00 0.00 C ATOM 0 H ALA A 77 -18.695 -5.884 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 77 -20.177 -4.434 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -21.551 -6.476 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -19.858 -6.795 -3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -20.481 -7.342 -1.947 1.00 0.00 H new ATOM 1193 N PRO A 78 -22.219 -4.234 -1.180 1.00 0.00 N ATOM 1194 CA PRO A 78 -23.154 -3.817 -0.143 1.00 0.00 C ATOM 1195 C PRO A 78 -23.708 -5.019 0.621 1.00 0.00 C ATOM 1196 O PRO A 78 -24.106 -6.016 0.009 1.00 0.00 O ATOM 1197 CB PRO A 78 -24.270 -3.043 -0.859 1.00 0.00 C ATOM 1198 CG PRO A 78 -24.195 -3.535 -2.303 1.00 0.00 C ATOM 1199 CD PRO A 78 -22.706 -3.816 -2.487 1.00 0.00 C ATOM 0 HA PRO A 78 -22.662 -3.192 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.245 -3.249 -0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -24.113 -1.966 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -24.798 -4.430 -2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -24.555 -2.783 -3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -22.544 -4.594 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -22.180 -2.927 -2.835 1.00 0.00 H new ATOM 1207 N SER A 79 -23.782 -4.895 1.949 1.00 0.00 N ATOM 1208 CA SER A 79 -24.214 -5.934 2.878 1.00 0.00 C ATOM 1209 C SER A 79 -23.329 -7.187 2.790 1.00 0.00 C ATOM 1210 O SER A 79 -22.320 -7.226 2.080 1.00 0.00 O ATOM 1211 CB SER A 79 -25.697 -6.256 2.647 1.00 0.00 C ATOM 1212 OG SER A 79 -26.501 -5.107 2.791 1.00 0.00 O ATOM 0 H SER A 79 -23.530 -4.028 2.423 1.00 0.00 H new ATOM 0 HA SER A 79 -24.101 -5.557 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 79 -25.829 -6.672 1.648 1.00 0.00 H new ATOM 0 HB3 SER A 79 -26.020 -7.019 3.355 1.00 0.00 H new ATOM 0 HG SER A 79 -27.440 -5.343 2.636 1.00 0.00 H new ATOM 1218 N LYS A 80 -23.701 -8.228 3.549 1.00 0.00 N ATOM 1219 CA LYS A 80 -23.010 -9.517 3.548 1.00 0.00 C ATOM 1220 C LYS A 80 -21.523 -9.333 3.875 1.00 0.00 C ATOM 1221 O LYS A 80 -20.652 -9.952 3.272 1.00 0.00 O ATOM 1222 CB LYS A 80 -23.382 -10.238 2.239 1.00 0.00 C ATOM 1223 CG LYS A 80 -23.045 -11.730 2.181 1.00 0.00 C ATOM 1224 CD LYS A 80 -23.893 -12.409 1.091 1.00 0.00 C ATOM 1225 CE LYS A 80 -23.254 -13.710 0.609 1.00 0.00 C ATOM 1226 NZ LYS A 80 -24.172 -14.505 -0.233 1.00 0.00 N ATOM 0 H LYS A 80 -24.498 -8.194 4.185 1.00 0.00 H new ATOM 0 HA LYS A 80 -23.331 -10.186 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -24.453 -10.120 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -22.875 -9.738 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -21.985 -11.866 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -23.238 -12.195 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -24.890 -12.615 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -24.015 -11.729 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -22.351 -13.481 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -22.948 -14.304 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -23.696 -15.378 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -25.023 -14.747 0.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -24.444 -13.950 -1.069 1.00 0.00 H new ATOM 1240 N GLU A 81 -21.252 -8.418 4.809 1.00 0.00 N ATOM 1241 CA GLU A 81 -19.922 -8.017 5.264 1.00 0.00 C ATOM 1242 C GLU A 81 -19.937 -7.624 6.753 1.00 0.00 C ATOM 1243 O GLU A 81 -19.118 -6.828 7.216 1.00 0.00 O ATOM 1244 CB GLU A 81 -19.370 -6.909 4.355 1.00 0.00 C ATOM 1245 CG GLU A 81 -20.182 -5.605 4.403 1.00 0.00 C ATOM 1246 CD GLU A 81 -19.565 -4.483 3.573 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -18.424 -4.603 3.078 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -20.207 -3.407 3.528 1.00 0.00 O ATOM 0 H GLU A 81 -21.994 -7.912 5.292 1.00 0.00 H new ATOM 0 HA GLU A 81 -19.244 -8.867 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -18.340 -6.696 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -19.345 -7.273 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -21.193 -5.800 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -20.269 -5.277 5.439 1.00 0.00 H new ATOM 1255 N GLY A 82 -20.935 -8.097 7.504 1.00 0.00 N ATOM 1256 CA GLY A 82 -21.155 -7.742 8.903 1.00 0.00 C ATOM 1257 C GLY A 82 -21.912 -6.421 9.079 1.00 0.00 C ATOM 1258 O GLY A 82 -22.456 -6.180 10.155 1.00 0.00 O ATOM 0 H GLY A 82 -21.628 -8.753 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -21.714 -8.541 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -20.192 -7.672 9.409 1.00 0.00 H new ATOM 1262 N LYS A 83 -22.005 -5.567 8.048 1.00 0.00 N ATOM 1263 CA LYS A 83 -22.722 -4.287 8.102 1.00 0.00 C ATOM 1264 C LYS A 83 -24.115 -4.325 7.479 1.00 0.00 C ATOM 1265 O LYS A 83 -24.757 -3.282 7.391 1.00 0.00 O ATOM 1266 CB LYS A 83 -21.881 -3.135 7.530 1.00 0.00 C ATOM 1267 CG LYS A 83 -20.779 -2.696 8.508 1.00 0.00 C ATOM 1268 CD LYS A 83 -20.492 -1.205 8.323 1.00 0.00 C ATOM 1269 CE LYS A 83 -19.381 -0.741 9.257 1.00 0.00 C ATOM 1270 NZ LYS A 83 -19.047 0.675 9.004 1.00 0.00 N ATOM 0 H LYS A 83 -21.577 -5.751 7.140 1.00 0.00 H new ATOM 0 HA LYS A 83 -22.882 -4.096 9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -21.429 -3.447 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -22.529 -2.287 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -21.090 -2.892 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.872 -3.275 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -20.207 -1.012 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -21.398 -0.630 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.694 -0.867 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.496 -1.360 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.288 0.973 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -18.728 0.786 8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.889 1.264 9.164 1.00 0.00 H new ATOM 1284 N GLU A 84 -24.624 -5.514 7.153 1.00 0.00 N ATOM 1285 CA GLU A 84 -25.950 -5.765 6.575 1.00 0.00 C ATOM 1286 C GLU A 84 -27.114 -5.040 7.276 1.00 0.00 C ATOM 1287 O GLU A 84 -28.154 -4.813 6.669 1.00 0.00 O ATOM 1288 CB GLU A 84 -26.207 -7.290 6.568 1.00 0.00 C ATOM 1289 CG GLU A 84 -26.037 -7.927 7.969 1.00 0.00 C ATOM 1290 CD GLU A 84 -26.544 -9.367 8.126 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -27.485 -9.774 7.410 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -25.999 -10.043 9.036 1.00 0.00 O ATOM 0 H GLU A 84 -24.096 -6.376 7.292 1.00 0.00 H new ATOM 0 HA GLU A 84 -25.928 -5.353 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -27.216 -7.483 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -25.520 -7.768 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -24.978 -7.907 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -26.555 -7.301 8.695 1.00 0.00 H new ATOM 1299 N LYS A 85 -26.956 -4.660 8.547 1.00 0.00 N ATOM 1300 CA LYS A 85 -27.945 -3.903 9.312 1.00 0.00 C ATOM 1301 C LYS A 85 -27.299 -2.745 10.078 1.00 0.00 C ATOM 1302 O LYS A 85 -27.796 -2.359 11.137 1.00 0.00 O ATOM 1303 CB LYS A 85 -28.753 -4.863 10.202 1.00 0.00 C ATOM 1304 CG LYS A 85 -27.876 -5.759 11.099 1.00 0.00 C ATOM 1305 CD LYS A 85 -28.569 -6.087 12.422 1.00 0.00 C ATOM 1306 CE LYS A 85 -28.433 -4.885 13.360 1.00 0.00 C ATOM 1307 NZ LYS A 85 -29.215 -5.060 14.599 1.00 0.00 N ATOM 0 H LYS A 85 -26.116 -4.877 9.083 1.00 0.00 H new ATOM 0 HA LYS A 85 -28.650 -3.429 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -29.426 -4.281 10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -29.375 -5.495 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -27.642 -6.684 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -26.929 -5.258 11.299 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -29.621 -6.315 12.251 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -28.120 -6.972 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -27.383 -4.739 13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -28.766 -3.984 12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -29.095 -4.224 15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -30.221 -5.174 14.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -28.881 -5.905 15.104 1.00 0.00 H new ATOM 1321 N LYS A 86 -26.163 -2.221 9.602 1.00 0.00 N ATOM 1322 CA LYS A 86 -25.339 -1.234 10.309 1.00 0.00 C ATOM 1323 C LYS A 86 -24.903 -0.095 9.381 1.00 0.00 C ATOM 1324 O LYS A 86 -23.862 0.523 9.614 1.00 0.00 O ATOM 1325 CB LYS A 86 -24.163 -1.966 10.989 1.00 0.00 C ATOM 1326 CG LYS A 86 -24.522 -2.459 12.397 1.00 0.00 C ATOM 1327 CD LYS A 86 -24.361 -1.352 13.455 1.00 0.00 C ATOM 1328 CE LYS A 86 -24.757 -1.806 14.865 1.00 0.00 C ATOM 1329 NZ LYS A 86 -24.036 -3.022 15.292 1.00 0.00 N ATOM 0 H LYS A 86 -25.782 -2.478 8.691 1.00 0.00 H new ATOM 0 HA LYS A 86 -25.924 -0.747 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -23.862 -2.815 10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -23.306 -1.295 11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -25.551 -2.820 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -23.886 -3.305 12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -23.324 -1.016 13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -24.971 -0.495 13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -24.556 -1.001 15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -25.830 -1.995 14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -24.236 -3.210 16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -24.350 -3.831 14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -23.014 -2.883 15.163 1.00 0.00 H new ATOM 1343 N GLU A 87 -25.690 0.212 8.351 1.00 0.00 N ATOM 1344 CA GLU A 87 -25.450 1.347 7.466 1.00 0.00 C ATOM 1345 C GLU A 87 -25.504 2.662 8.254 1.00 0.00 C ATOM 1346 O GLU A 87 -24.460 3.254 8.525 1.00 0.00 O ATOM 1347 CB GLU A 87 -26.448 1.305 6.294 1.00 0.00 C ATOM 1348 CG GLU A 87 -26.063 0.237 5.259 1.00 0.00 C ATOM 1349 CD GLU A 87 -24.941 0.697 4.317 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -24.126 1.568 4.709 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -24.948 0.297 3.135 1.00 0.00 O ATOM 0 H GLU A 87 -26.521 -0.327 8.106 1.00 0.00 H new ATOM 0 HA GLU A 87 -24.448 1.285 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -27.448 1.099 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -26.485 2.282 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -25.747 -0.668 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -26.942 -0.024 4.669 1.00 0.00 H new ATOM 1358 N LYS A 88 -26.696 3.098 8.685 1.00 0.00 N ATOM 1359 CA LYS A 88 -26.963 4.454 9.186 1.00 0.00 C ATOM 1360 C LYS A 88 -26.480 5.489 8.168 1.00 0.00 C ATOM 1361 O LYS A 88 -25.560 6.265 8.445 1.00 0.00 O ATOM 1362 CB LYS A 88 -26.399 4.708 10.602 1.00 0.00 C ATOM 1363 CG LYS A 88 -27.277 4.187 11.752 1.00 0.00 C ATOM 1364 CD LYS A 88 -27.438 5.277 12.827 1.00 0.00 C ATOM 1365 CE LYS A 88 -28.337 6.436 12.347 1.00 0.00 C ATOM 1366 NZ LYS A 88 -27.742 7.768 12.592 1.00 0.00 N ATOM 0 H LYS A 88 -27.523 2.501 8.695 1.00 0.00 H new ATOM 0 HA LYS A 88 -28.042 4.556 9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -25.416 4.242 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -26.254 5.780 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -28.255 3.894 11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -26.826 3.296 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -27.865 4.837 13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -26.457 5.667 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -28.530 6.321 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -29.300 6.375 12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -28.390 8.506 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -27.582 7.894 13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -26.836 7.842 12.087 1.00 0.00 H new ATOM 1380 N HIS A 89 -27.126 5.515 7.004 1.00 0.00 N ATOM 1381 CA HIS A 89 -26.895 6.550 6.007 1.00 0.00 C ATOM 1382 C HIS A 89 -27.208 7.928 6.611 1.00 0.00 C ATOM 1383 O HIS A 89 -28.229 8.084 7.295 1.00 0.00 O ATOM 1384 CB HIS A 89 -27.702 6.260 4.732 1.00 0.00 C ATOM 1385 CG HIS A 89 -27.297 7.177 3.609 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -27.769 8.454 3.399 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -26.279 6.953 2.723 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -27.036 9.006 2.424 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -26.093 8.139 2.006 1.00 0.00 N ATOM 0 H HIS A 89 -27.821 4.821 6.729 1.00 0.00 H new ATOM 0 HA HIS A 89 -25.845 6.554 5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -27.550 5.223 4.431 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -28.766 6.380 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -25.724 6.034 2.601 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -27.180 10.001 2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -25.378 8.315 1.300 1.00 0.00 H new ATOM 1397 N LYS A 90 -26.355 8.930 6.360 1.00 0.00 N ATOM 1398 CA LYS A 90 -26.547 10.316 6.791 1.00 0.00 C ATOM 1399 C LYS A 90 -26.308 11.238 5.603 1.00 0.00 C ATOM 1400 O LYS A 90 -27.285 11.690 5.020 1.00 0.00 O ATOM 1401 CB LYS A 90 -25.684 10.671 8.026 1.00 0.00 C ATOM 1402 CG LYS A 90 -26.539 10.879 9.286 1.00 0.00 C ATOM 1403 CD LYS A 90 -25.687 11.351 10.478 1.00 0.00 C ATOM 1404 CE LYS A 90 -25.319 12.835 10.355 1.00 0.00 C ATOM 1405 NZ LYS A 90 -24.363 13.290 11.382 1.00 0.00 N ATOM 0 H LYS A 90 -25.490 8.792 5.837 1.00 0.00 H new ATOM 0 HA LYS A 90 -27.575 10.452 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -24.962 9.874 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -25.114 11.577 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -27.317 11.614 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -27.041 9.946 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -26.235 11.187 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -24.777 10.753 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -24.893 13.015 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -26.227 13.434 10.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -24.157 14.300 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -24.775 13.148 12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -23.482 12.743 11.303 1.00 0.00 H new ATOM 1419 N THR A 91 -25.050 11.522 5.238 1.00 0.00 N ATOM 1420 CA THR A 91 -24.713 12.651 4.371 1.00 0.00 C ATOM 1421 C THR A 91 -25.476 13.900 4.856 1.00 0.00 C ATOM 1422 O THR A 91 -26.271 14.493 4.121 1.00 0.00 O ATOM 1423 CB THR A 91 -24.987 12.286 2.892 1.00 0.00 C ATOM 1424 OG1 THR A 91 -24.464 11.010 2.546 1.00 0.00 O ATOM 1425 CG2 THR A 91 -24.354 13.269 1.906 1.00 0.00 C ATOM 0 H THR A 91 -24.242 10.975 5.536 1.00 0.00 H new ATOM 0 HA THR A 91 -23.650 12.884 4.428 1.00 0.00 H new ATOM 0 HB THR A 91 -26.074 12.307 2.815 1.00 0.00 H new ATOM 0 HG1 THR A 91 -24.661 10.820 1.605 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.582 12.959 0.886 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.755 14.268 2.080 1.00 0.00 H new ATOM 0 HG23 THR A 91 -23.273 13.282 2.048 1.00 0.00 H new ATOM 1433 N LYS A 92 -25.327 14.263 6.135 1.00 0.00 N ATOM 1434 CA LYS A 92 -25.963 15.446 6.692 1.00 0.00 C ATOM 1435 C LYS A 92 -25.199 15.882 7.912 1.00 0.00 C ATOM 1436 O LYS A 92 -24.549 15.027 8.548 1.00 0.00 O ATOM 1437 CB LYS A 92 -27.431 15.167 7.050 1.00 0.00 C ATOM 1438 CG LYS A 92 -28.179 16.501 7.166 1.00 0.00 C ATOM 1439 CD LYS A 92 -29.704 16.347 7.187 1.00 0.00 C ATOM 1440 CE LYS A 92 -30.364 17.733 7.214 1.00 0.00 C ATOM 1441 NZ LYS A 92 -30.112 18.518 5.983 1.00 0.00 N ATOM 0 H LYS A 92 -24.762 13.742 6.806 1.00 0.00 H new ATOM 0 HA LYS A 92 -25.952 16.241 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -27.893 14.542 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -27.492 14.618 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -27.860 17.009 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -27.898 17.140 6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -30.035 15.793 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -30.009 15.771 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -31.439 17.615 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -29.994 18.289 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -30.773 19.320 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -29.135 18.874 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -30.251 17.911 5.150 1.00 0.00 H new TER 1455 LYS A 92