USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 923 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 44 THR OG1 : rot 167:sc= 0.235 USER MOD Set 1.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 117 GLN : amide:sc= -0.0242 K(o=0.21,f=-0.85) USER MOD Set 2.1: A 75 SER OG : rot -12:sc= 0.222 USER MOD Set 2.2: A 102 ASN : amide:sc= 0.208 K(o=0.43,f=-1.2) USER MOD Set 3.1: A 25 TYR OH : rot 23:sc= 0.423 USER MOD Set 3.2: A 47 HIS : no HE2:sc= -2.59 K(o=-1.1,f=-8.3!) USER MOD Set 3.3: A 77 GLN : amide:sc= 0 K(o=-1.1,f=-4!) USER MOD Set 3.4: A 79 THR OG1 : rot 80:sc= 1.07 USER MOD Set 4.1: A 61 ASN :FLIP amide:sc= -0.561 F(o=-0.88!,f=-0.098) USER MOD Set 4.2: A 74 SER OG : rot 103:sc= 0.462 USER MOD Set 5.1: A 13 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -172:sc= -0.018 (180deg=-0.163) USER MOD Set 5.3: A 43 ASN :FLIP amide:sc= 0.00437 F(o=-1.9,f=-1.1) USER MOD Set 6.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 8 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0728 USER MOD Single : A 11 THR OG1 : rot 61:sc= 0.968 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -22:sc= 0.282 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc=-0.00137 (180deg=-0.097) USER MOD Single : A 19 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.062) USER MOD Single : A 28 SER OG : rot 88:sc= 0.433 USER MOD Single : A 30 MET CE :methyl 150:sc= -1.44 (180deg=-4.93!) USER MOD Single : A 36 THR OG1 : rot 22:sc= 0.921 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.225 F(o=-1.4!,f=-0.22) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc=-0.00412 (180deg=-0.107) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00952 X(o=-0.0095,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= -0.0102 (180deg=-0.112) USER MOD Single : A 63 ASN : amide:sc=-0.00935 X(o=-0.0093,f=-0.018) USER MOD Single : A 65 HIS : no HD1:sc= -0.0396 X(o=-0.04,f=-0.04) USER MOD Single : A 68 ASN : amide:sc= 0.0196 X(o=0.02,f=-0.034) USER MOD Single : A 72 SER OG : rot 130:sc= 0.162 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.418 F(o=-1.5,f=-0.42) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 2:sc= 0.199 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0457 X(o=-0.046,f=0.037) USER MOD Single : A 114 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.631 -4.909 2.101 1.00 0.00 N ATOM 33 CA ASN A 3 5.454 -4.848 3.269 1.00 0.00 C ATOM 34 C ASN A 3 5.460 -3.413 3.664 1.00 0.00 C ATOM 35 O ASN A 3 6.044 -3.032 4.674 1.00 0.00 O ATOM 36 CB ASN A 3 6.901 -5.298 3.015 1.00 0.00 C ATOM 37 CG ASN A 3 6.876 -6.768 2.602 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.393 -7.634 3.341 1.00 0.00 O ATOM 39 ND2 ASN A 3 7.424 -7.041 1.380 1.00 0.00 N ATOM 0 HA ASN A 3 5.059 -5.518 4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.357 -4.691 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.504 -5.165 3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.449 -8.001 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.808 -6.285 0.813 1.00 0.00 H new ATOM 46 N SER A 4 4.799 -2.589 2.826 1.00 0.00 N ATOM 47 CA SER A 4 4.638 -1.182 3.043 1.00 0.00 C ATOM 48 C SER A 4 3.361 -0.978 3.788 1.00 0.00 C ATOM 49 O SER A 4 3.200 0.009 4.504 1.00 0.00 O ATOM 50 CB SER A 4 4.542 -0.429 1.704 1.00 0.00 C ATOM 51 OG SER A 4 4.375 0.963 1.913 1.00 0.00 O ATOM 0 H SER A 4 4.360 -2.916 1.965 1.00 0.00 H new ATOM 0 HA SER A 4 5.496 -0.803 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.444 -0.606 1.118 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.704 -0.816 1.125 1.00 0.00 H new ATOM 0 HG SER A 4 4.318 1.419 1.048 1.00 0.00 H new ATOM 57 N ARG A 5 2.416 -1.922 3.592 1.00 0.00 N ATOM 58 CA ARG A 5 1.077 -1.836 4.081 1.00 0.00 C ATOM 59 C ARG A 5 1.022 -1.936 5.568 1.00 0.00 C ATOM 60 O ARG A 5 0.394 -1.081 6.201 1.00 0.00 O ATOM 61 CB ARG A 5 0.202 -2.964 3.537 1.00 0.00 C ATOM 62 CG ARG A 5 -0.030 -2.925 2.026 1.00 0.00 C ATOM 63 CD ARG A 5 -0.875 -1.737 1.572 1.00 0.00 C ATOM 64 NE ARG A 5 -1.246 -1.989 0.152 1.00 0.00 N ATOM 65 CZ ARG A 5 -0.461 -1.581 -0.890 1.00 0.00 C ATOM 66 NH1 ARG A 5 0.687 -0.876 -0.672 1.00 0.00 N ATOM 67 NH2 ARG A 5 -0.825 -1.897 -2.168 1.00 0.00 N ATOM 0 H ARG A 5 2.597 -2.780 3.070 1.00 0.00 H new ATOM 0 HA ARG A 5 0.709 -0.866 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.662 -3.918 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.765 -2.930 4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.934 -2.890 1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.520 -3.849 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.766 -1.637 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.315 -0.806 1.666 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.115 -2.483 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.971 -0.646 0.280 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.261 -0.579 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -1.676 -2.433 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.246 -1.597 -2.952 1.00 0.00 H new ATOM 81 N TYR A 6 1.679 -2.975 6.153 1.00 0.00 N ATOM 82 CA TYR A 6 1.896 -3.084 7.531 1.00 0.00 C ATOM 83 C TYR A 6 2.531 -1.902 8.123 1.00 0.00 C ATOM 84 O TYR A 6 1.986 -1.403 9.092 1.00 0.00 O ATOM 85 CB TYR A 6 2.894 -4.190 7.642 1.00 0.00 C ATOM 86 CG TYR A 6 3.305 -4.432 9.015 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.392 -4.969 9.873 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.615 -4.278 9.383 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.794 -5.394 11.114 1.00 0.00 C ATOM 90 CE2 TYR A 6 5.044 -4.791 10.575 1.00 0.00 C ATOM 91 CZ TYR A 6 4.130 -5.328 11.461 1.00 0.00 C ATOM 92 OH TYR A 6 4.551 -5.741 12.737 1.00 0.00 O ATOM 0 H TYR A 6 2.063 -3.756 5.621 1.00 0.00 H new ATOM 0 HA TYR A 6 0.944 -3.228 8.041 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.467 -5.103 7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.770 -3.946 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.357 -5.059 9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.304 -3.755 8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.069 -5.778 11.817 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.095 -4.777 10.824 1.00 0.00 H new ATOM 0 HH TYR A 6 5.522 -5.629 12.813 1.00 0.00 H new ATOM 102 N THR A 7 3.688 -1.450 7.591 1.00 0.00 N ATOM 103 CA THR A 7 4.420 -0.380 8.178 1.00 0.00 C ATOM 104 C THR A 7 3.777 0.980 8.092 1.00 0.00 C ATOM 105 O THR A 7 4.190 1.868 8.830 1.00 0.00 O ATOM 106 CB THR A 7 5.832 -0.242 7.702 1.00 0.00 C ATOM 107 OG1 THR A 7 5.877 0.376 6.424 1.00 0.00 O ATOM 108 CG2 THR A 7 6.561 -1.593 7.667 1.00 0.00 C ATOM 0 H THR A 7 4.113 -1.835 6.747 1.00 0.00 H new ATOM 0 HA THR A 7 4.417 -0.701 9.220 1.00 0.00 H new ATOM 0 HB THR A 7 6.350 0.395 8.419 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.809 0.458 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.582 -1.446 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.580 -2.022 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.039 -2.271 6.992 1.00 0.00 H new ATOM 116 N HIS A 8 2.761 1.192 7.225 1.00 0.00 N ATOM 117 CA HIS A 8 2.030 2.437 7.201 1.00 0.00 C ATOM 118 C HIS A 8 0.950 2.425 8.240 1.00 0.00 C ATOM 119 O HIS A 8 0.695 3.439 8.897 1.00 0.00 O ATOM 120 CB HIS A 8 1.420 2.757 5.832 1.00 0.00 C ATOM 121 CG HIS A 8 2.490 3.097 4.837 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.210 3.619 3.605 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.839 3.027 4.945 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.357 3.868 2.987 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.362 3.520 3.780 1.00 0.00 N ATOM 0 H HIS A 8 2.444 0.505 6.541 1.00 0.00 H new ATOM 0 HA HIS A 8 2.756 3.221 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.845 1.902 5.476 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.725 3.592 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.396 2.653 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.457 4.287 1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.354 3.605 3.559 1.00 0.00 H new ATOM 134 N PHE A 9 0.335 1.236 8.434 1.00 0.00 N ATOM 135 CA PHE A 9 -0.559 0.940 9.532 1.00 0.00 C ATOM 136 C PHE A 9 0.183 1.048 10.843 1.00 0.00 C ATOM 137 O PHE A 9 -0.383 1.446 11.853 1.00 0.00 O ATOM 138 CB PHE A 9 -1.174 -0.473 9.365 1.00 0.00 C ATOM 139 CG PHE A 9 -1.678 -1.110 10.623 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.845 -0.676 11.225 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.052 -2.249 11.109 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.345 -1.349 12.320 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.600 -2.968 12.156 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.726 -2.480 12.789 1.00 0.00 C ATOM 0 H PHE A 9 0.463 0.446 7.802 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.373 1.665 9.531 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.999 -0.410 8.655 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.423 -1.127 8.923 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.364 0.189 10.838 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.125 -2.578 10.664 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.233 -0.982 12.813 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.153 -3.898 12.474 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.120 -2.990 13.655 1.00 0.00 H new ATOM 154 N LEU A 10 1.480 0.699 10.837 1.00 0.00 N ATOM 155 CA LEU A 10 2.375 0.711 11.950 1.00 0.00 C ATOM 156 C LEU A 10 2.891 2.090 12.250 1.00 0.00 C ATOM 157 O LEU A 10 3.254 2.361 13.392 1.00 0.00 O ATOM 158 CB LEU A 10 3.591 -0.156 11.618 1.00 0.00 C ATOM 159 CG LEU A 10 4.203 -0.840 12.822 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.023 -2.348 12.814 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.676 -0.525 12.972 1.00 0.00 C ATOM 0 H LEU A 10 1.939 0.383 9.983 1.00 0.00 H new ATOM 0 HA LEU A 10 1.821 0.340 12.812 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.297 -0.914 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.349 0.465 11.141 1.00 0.00 H new ATOM 0 HG LEU A 10 3.656 -0.436 13.674 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.485 -2.774 13.704 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.960 -2.587 12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.495 -2.766 11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.070 -1.038 13.849 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.212 -0.860 12.084 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.808 0.550 13.091 1.00 0.00 H new ATOM 173 N THR A 11 2.958 2.986 11.237 1.00 0.00 N ATOM 174 CA THR A 11 3.363 4.353 11.450 1.00 0.00 C ATOM 175 C THR A 11 2.298 5.023 12.241 1.00 0.00 C ATOM 176 O THR A 11 2.583 5.619 13.278 1.00 0.00 O ATOM 177 CB THR A 11 3.630 5.138 10.180 1.00 0.00 C ATOM 178 OG1 THR A 11 4.739 4.570 9.503 1.00 0.00 O ATOM 179 CG2 THR A 11 3.969 6.614 10.478 1.00 0.00 C ATOM 0 H THR A 11 2.731 2.763 10.268 1.00 0.00 H new ATOM 0 HA THR A 11 4.317 4.330 11.976 1.00 0.00 H new ATOM 0 HB THR A 11 2.725 5.096 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.535 3.642 9.262 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.153 7.141 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.133 7.081 10.999 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.860 6.663 11.104 1.00 0.00 H new ATOM 187 N GLN A 12 1.049 4.920 11.756 1.00 0.00 N ATOM 188 CA GLN A 12 -0.074 5.572 12.375 1.00 0.00 C ATOM 189 C GLN A 12 -0.420 4.997 13.699 1.00 0.00 C ATOM 190 O GLN A 12 -0.748 5.750 14.614 1.00 0.00 O ATOM 191 CB GLN A 12 -1.356 5.431 11.542 1.00 0.00 C ATOM 192 CG GLN A 12 -1.270 6.059 10.151 1.00 0.00 C ATOM 193 CD GLN A 12 -2.555 5.700 9.406 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.547 4.856 8.502 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.680 6.363 9.812 1.00 0.00 N ATOM 0 H GLN A 12 0.810 4.379 10.925 1.00 0.00 H new ATOM 0 HA GLN A 12 0.246 6.610 12.465 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.593 4.372 11.437 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.182 5.890 12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.159 7.141 10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.398 5.685 9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.624 7.049 10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.575 6.171 9.363 1.00 0.00 H new ATOM 204 N HIS A 13 -0.401 3.661 13.818 1.00 0.00 N ATOM 205 CA HIS A 13 -1.000 3.032 14.947 1.00 0.00 C ATOM 206 C HIS A 13 0.033 2.537 15.905 1.00 0.00 C ATOM 207 O HIS A 13 -0.159 2.695 17.101 1.00 0.00 O ATOM 208 CB HIS A 13 -1.991 1.930 14.545 1.00 0.00 C ATOM 209 CG HIS A 13 -3.070 2.487 13.646 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.215 3.027 14.159 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.137 2.637 12.300 1.00 0.00 C ATOM 212 CE1 HIS A 13 -4.968 3.460 13.160 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.335 3.239 12.019 1.00 0.00 N ATOM 0 H HIS A 13 0.023 3.024 13.143 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.585 3.793 15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.462 1.127 14.032 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.442 1.496 15.437 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.451 3.087 15.149 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.386 2.338 11.584 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.941 3.919 13.260 1.00 0.00 H new ATOM 222 N TYR A 14 1.152 1.930 15.461 1.00 0.00 N ATOM 223 CA TYR A 14 2.059 1.351 16.423 1.00 0.00 C ATOM 224 C TYR A 14 2.871 2.398 17.119 1.00 0.00 C ATOM 225 O TYR A 14 3.624 3.145 16.496 1.00 0.00 O ATOM 226 CB TYR A 14 3.022 0.334 15.845 1.00 0.00 C ATOM 227 CG TYR A 14 3.713 -0.497 16.860 1.00 0.00 C ATOM 228 CD1 TYR A 14 3.061 -1.223 17.842 1.00 0.00 C ATOM 229 CD2 TYR A 14 5.071 -0.645 16.708 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.791 -1.979 18.739 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.796 -1.417 17.574 1.00 0.00 C ATOM 232 CZ TYR A 14 5.168 -2.037 18.628 1.00 0.00 C ATOM 233 OH TYR A 14 5.953 -2.756 19.547 1.00 0.00 O ATOM 0 H TYR A 14 1.426 1.839 14.483 1.00 0.00 H new ATOM 0 HA TYR A 14 1.400 0.836 17.122 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.476 -0.321 15.166 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.771 0.857 15.250 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.983 -1.198 17.907 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.573 -0.145 15.893 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.288 -2.523 19.524 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.859 -1.539 17.430 1.00 0.00 H new ATOM 0 HH TYR A 14 5.456 -2.868 20.384 1.00 0.00 H new ATOM 243 N ASP A 15 2.723 2.442 18.455 1.00 0.00 N ATOM 244 CA ASP A 15 3.558 3.237 19.291 1.00 0.00 C ATOM 245 C ASP A 15 3.737 2.329 20.450 1.00 0.00 C ATOM 246 O ASP A 15 2.843 2.219 21.282 1.00 0.00 O ATOM 247 CB ASP A 15 2.927 4.561 19.761 1.00 0.00 C ATOM 248 CG ASP A 15 3.920 5.230 20.703 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.055 5.540 20.248 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.557 5.450 21.888 1.00 0.00 O ATOM 0 H ASP A 15 2.010 1.915 18.960 1.00 0.00 H new ATOM 0 HA ASP A 15 4.463 3.558 18.775 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.711 5.207 18.910 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.981 4.376 20.269 1.00 0.00 H new ATOM 255 N ALA A 16 4.898 1.640 20.476 1.00 0.00 N ATOM 256 CA ALA A 16 5.238 0.523 21.329 1.00 0.00 C ATOM 257 C ALA A 16 4.908 0.650 22.783 1.00 0.00 C ATOM 258 O ALA A 16 4.432 -0.308 23.389 1.00 0.00 O ATOM 259 CB ALA A 16 6.718 0.131 21.231 1.00 0.00 C ATOM 0 H ALA A 16 5.665 1.882 19.849 1.00 0.00 H new ATOM 0 HA ALA A 16 4.585 -0.249 20.921 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.916 -0.713 21.892 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.953 -0.150 20.204 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.339 0.977 21.526 1.00 0.00 H new ATOM 265 N LYS A 17 5.133 1.837 23.371 1.00 0.00 N ATOM 266 CA LYS A 17 4.561 2.125 24.653 1.00 0.00 C ATOM 267 C LYS A 17 4.480 3.629 24.769 1.00 0.00 C ATOM 268 O LYS A 17 5.377 4.310 24.271 1.00 0.00 O ATOM 269 CB LYS A 17 5.357 1.572 25.862 1.00 0.00 C ATOM 270 CG LYS A 17 6.850 1.939 25.898 1.00 0.00 C ATOM 271 CD LYS A 17 7.584 1.277 27.072 1.00 0.00 C ATOM 272 CE LYS A 17 9.085 1.585 27.099 1.00 0.00 C ATOM 273 NZ LYS A 17 9.318 3.035 27.276 1.00 0.00 N ATOM 0 H LYS A 17 5.699 2.586 22.971 1.00 0.00 H new ATOM 0 HA LYS A 17 3.591 1.631 24.695 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.890 1.934 26.778 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.268 0.486 25.867 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.319 1.636 24.962 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.954 3.022 25.971 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.135 1.611 28.007 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.442 0.198 27.018 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.560 1.034 27.910 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.547 1.248 26.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.330 3.206 27.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.019 3.542 26.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.769 3.378 28.090 1.00 0.00 H new ATOM 287 N PRO A 18 3.457 4.181 25.413 1.00 0.00 N ATOM 288 CA PRO A 18 3.289 5.605 25.480 1.00 0.00 C ATOM 289 C PRO A 18 4.203 6.275 26.456 1.00 0.00 C ATOM 290 O PRO A 18 4.928 5.618 27.205 1.00 0.00 O ATOM 291 CB PRO A 18 1.891 5.792 26.054 1.00 0.00 C ATOM 292 CG PRO A 18 1.098 4.580 25.599 1.00 0.00 C ATOM 293 CD PRO A 18 2.167 3.526 25.336 1.00 0.00 C ATOM 0 HA PRO A 18 3.480 6.028 24.494 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.919 5.856 27.142 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.439 6.715 25.692 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.393 4.253 26.363 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.518 4.795 24.701 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.101 2.723 26.070 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.025 3.074 24.354 1.00 0.00 H new ATOM 301 N GLN A 19 4.089 7.618 26.467 1.00 0.00 N ATOM 302 CA GLN A 19 4.612 8.481 27.482 1.00 0.00 C ATOM 303 C GLN A 19 3.718 8.304 28.668 1.00 0.00 C ATOM 304 O GLN A 19 4.146 7.874 29.737 1.00 0.00 O ATOM 305 CB GLN A 19 4.604 9.946 26.986 1.00 0.00 C ATOM 306 CG GLN A 19 5.032 11.021 27.995 1.00 0.00 C ATOM 307 CD GLN A 19 6.461 10.757 28.468 1.00 0.00 C ATOM 308 OE1 GLN A 19 6.691 10.420 29.636 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.438 10.926 27.526 1.00 0.00 N ATOM 0 H GLN A 19 3.606 8.127 25.727 1.00 0.00 H new ATOM 0 HA GLN A 19 5.645 8.240 27.735 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.260 10.014 26.118 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.597 10.183 26.644 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.969 12.008 27.536 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.353 11.022 28.847 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.189 11.205 26.577 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.416 10.773 27.772 1.00 0.00 H new ATOM 318 N GLY A 20 2.430 8.619 28.466 1.00 0.00 N ATOM 319 CA GLY A 20 1.391 8.293 29.397 1.00 0.00 C ATOM 320 C GLY A 20 0.198 8.146 28.538 1.00 0.00 C ATOM 321 O GLY A 20 0.306 8.224 27.320 1.00 0.00 O ATOM 0 H GLY A 20 2.099 9.112 27.637 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.611 7.374 29.940 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.257 9.078 30.141 1.00 0.00 H new ATOM 325 N ARG A 21 -0.974 7.936 29.158 1.00 0.00 N ATOM 326 CA ARG A 21 -2.201 7.830 28.414 1.00 0.00 C ATOM 327 C ARG A 21 -3.000 9.037 28.767 1.00 0.00 C ATOM 328 O ARG A 21 -3.964 8.968 29.529 1.00 0.00 O ATOM 329 CB ARG A 21 -3.025 6.554 28.678 1.00 0.00 C ATOM 330 CG ARG A 21 -2.370 5.281 28.111 1.00 0.00 C ATOM 331 CD ARG A 21 -1.384 4.550 29.029 1.00 0.00 C ATOM 332 NE ARG A 21 -2.170 3.742 30.011 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.215 4.026 31.348 1.00 0.00 C ATOM 334 NH1 ARG A 21 -1.570 5.112 31.861 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.927 3.209 32.181 1.00 0.00 N ATOM 0 H ARG A 21 -1.079 7.839 30.168 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.951 7.766 27.355 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.165 6.435 29.752 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.016 6.672 28.239 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.162 4.584 27.837 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.847 5.547 27.192 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.728 3.905 28.445 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.747 5.265 29.549 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.698 2.940 29.667 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.042 5.730 31.245 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.616 5.307 32.861 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.417 2.398 31.804 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.968 3.410 33.180 1.00 0.00 H new ATOM 349 N ASP A 22 -2.576 10.188 28.209 1.00 0.00 N ATOM 350 CA ASP A 22 -3.128 11.461 28.555 1.00 0.00 C ATOM 351 C ASP A 22 -3.067 12.326 27.339 1.00 0.00 C ATOM 352 O ASP A 22 -2.466 11.953 26.333 1.00 0.00 O ATOM 353 CB ASP A 22 -2.430 12.116 29.757 1.00 0.00 C ATOM 354 CG ASP A 22 -0.925 11.854 29.749 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.228 12.269 28.787 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.451 11.223 30.732 1.00 0.00 O ATOM 0 H ASP A 22 -1.838 10.234 27.506 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.161 11.326 28.876 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.612 13.191 29.742 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.861 11.732 30.682 1.00 0.00 H new ATOM 361 N ASP A 23 -3.719 13.507 27.420 1.00 0.00 N ATOM 362 CA ASP A 23 -3.964 14.369 26.294 1.00 0.00 C ATOM 363 C ASP A 23 -2.734 15.057 25.789 1.00 0.00 C ATOM 364 O ASP A 23 -2.703 15.465 24.629 1.00 0.00 O ATOM 365 CB ASP A 23 -5.043 15.444 26.562 1.00 0.00 C ATOM 366 CG ASP A 23 -4.600 16.435 27.636 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.466 16.027 28.820 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.411 17.631 27.283 1.00 0.00 O ATOM 0 H ASP A 23 -4.088 13.874 28.297 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.328 13.682 25.530 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.259 15.981 25.638 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.969 14.960 26.873 1.00 0.00 H new ATOM 373 N ARG A 24 -1.687 15.194 26.635 1.00 0.00 N ATOM 374 CA ARG A 24 -0.445 15.781 26.217 1.00 0.00 C ATOM 375 C ARG A 24 0.374 14.778 25.464 1.00 0.00 C ATOM 376 O ARG A 24 1.181 15.166 24.618 1.00 0.00 O ATOM 377 CB ARG A 24 0.414 16.357 27.363 1.00 0.00 C ATOM 378 CG ARG A 24 0.610 15.410 28.558 1.00 0.00 C ATOM 379 CD ARG A 24 1.682 15.878 29.545 1.00 0.00 C ATOM 380 NE ARG A 24 3.001 15.730 28.863 1.00 0.00 N ATOM 381 CZ ARG A 24 4.173 15.789 29.561 1.00 0.00 C ATOM 382 NH1 ARG A 24 4.166 16.037 30.904 1.00 0.00 N ATOM 383 NH2 ARG A 24 5.357 15.598 28.911 1.00 0.00 N ATOM 0 H ARG A 24 -1.703 14.897 27.611 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.729 16.622 25.584 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.393 16.626 26.965 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.049 17.277 27.719 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.337 15.306 29.087 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.878 14.421 28.186 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.512 16.915 29.835 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.651 15.283 30.458 1.00 0.00 H new ATOM 0 HE ARG A 24 3.028 15.582 27.854 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.282 16.179 31.392 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.045 16.080 31.419 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.364 15.412 27.908 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.235 15.641 29.428 1.00 0.00 H new ATOM 397 N TYR A 25 0.168 13.465 25.747 1.00 0.00 N ATOM 398 CA TYR A 25 0.876 12.413 25.074 1.00 0.00 C ATOM 399 C TYR A 25 0.310 12.346 23.710 1.00 0.00 C ATOM 400 O TYR A 25 1.070 12.213 22.754 1.00 0.00 O ATOM 401 CB TYR A 25 0.742 11.017 25.734 1.00 0.00 C ATOM 402 CG TYR A 25 0.798 9.873 24.750 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.975 9.464 24.132 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.367 9.164 24.487 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.968 8.401 23.249 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.371 8.103 23.608 1.00 0.00 C ATOM 407 CZ TYR A 25 0.796 7.721 22.987 1.00 0.00 C ATOM 408 OH TYR A 25 0.782 6.635 22.089 1.00 0.00 O ATOM 0 H TYR A 25 -0.496 13.137 26.449 1.00 0.00 H new ATOM 0 HA TYR A 25 1.940 12.649 25.105 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.539 10.893 26.467 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.201 10.971 26.278 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.900 9.980 24.343 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.285 9.449 24.980 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.884 8.101 22.762 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.289 7.572 23.407 1.00 0.00 H new ATOM 0 HH TYR A 25 1.682 6.253 22.024 1.00 0.00 H new ATOM 418 N CYS A 26 -1.036 12.421 23.596 1.00 0.00 N ATOM 419 CA CYS A 26 -1.638 12.143 22.339 1.00 0.00 C ATOM 420 C CYS A 26 -1.581 13.297 21.396 1.00 0.00 C ATOM 421 O CYS A 26 -1.580 13.096 20.186 1.00 0.00 O ATOM 422 CB CYS A 26 -3.023 11.522 22.365 1.00 0.00 C ATOM 423 SG CYS A 26 -3.015 10.344 20.992 1.00 0.00 S ATOM 0 H CYS A 26 -1.679 12.665 24.349 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.998 11.348 21.957 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.217 11.024 23.315 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.799 12.277 22.237 1.00 0.00 H new ATOM 428 N GLU A 27 -1.492 14.533 21.929 1.00 0.00 N ATOM 429 CA GLU A 27 -1.266 15.681 21.100 1.00 0.00 C ATOM 430 C GLU A 27 0.144 15.688 20.595 1.00 0.00 C ATOM 431 O GLU A 27 0.359 16.076 19.450 1.00 0.00 O ATOM 432 CB GLU A 27 -1.562 17.025 21.786 1.00 0.00 C ATOM 433 CG GLU A 27 -3.070 17.281 21.895 1.00 0.00 C ATOM 434 CD GLU A 27 -3.316 18.557 22.685 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.858 19.638 22.228 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.975 18.467 23.755 1.00 0.00 O ATOM 0 H GLU A 27 -1.576 14.736 22.925 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.974 15.587 20.277 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.118 17.032 22.781 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.095 17.833 21.223 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.507 17.367 20.900 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.557 16.438 22.385 1.00 0.00 H new ATOM 443 N SER A 28 1.129 15.251 21.421 1.00 0.00 N ATOM 444 CA SER A 28 2.501 15.205 21.005 1.00 0.00 C ATOM 445 C SER A 28 2.802 14.158 19.974 1.00 0.00 C ATOM 446 O SER A 28 3.647 14.394 19.114 1.00 0.00 O ATOM 447 CB SER A 28 3.460 14.969 22.176 1.00 0.00 C ATOM 448 OG SER A 28 3.487 16.111 23.020 1.00 0.00 O ATOM 0 H SER A 28 0.969 14.931 22.376 1.00 0.00 H new ATOM 0 HA SER A 28 2.657 16.190 20.564 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.145 14.094 22.744 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.462 14.761 21.800 1.00 0.00 H new ATOM 0 HG SER A 28 2.781 16.035 23.695 1.00 0.00 H new ATOM 454 N ILE A 29 2.134 12.985 20.037 1.00 0.00 N ATOM 455 CA ILE A 29 2.413 11.904 19.121 1.00 0.00 C ATOM 456 C ILE A 29 1.673 12.111 17.844 1.00 0.00 C ATOM 457 O ILE A 29 2.141 11.688 16.795 1.00 0.00 O ATOM 458 CB ILE A 29 2.214 10.491 19.659 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.691 9.413 18.666 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.751 10.230 20.040 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.969 8.080 19.341 1.00 0.00 C ATOM 0 H ILE A 29 1.403 12.782 20.718 1.00 0.00 H new ATOM 0 HA ILE A 29 3.488 11.955 18.950 1.00 0.00 H new ATOM 0 HB ILE A 29 2.829 10.423 20.556 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.934 9.275 17.894 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.596 9.759 18.166 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.650 9.213 20.419 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.444 10.937 20.811 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.118 10.354 19.161 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.302 7.357 18.596 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.746 8.209 20.094 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.059 7.717 19.818 1.00 0.00 H new ATOM 473 N MET A 30 0.507 12.780 17.883 1.00 0.00 N ATOM 474 CA MET A 30 -0.227 13.023 16.677 1.00 0.00 C ATOM 475 C MET A 30 0.446 14.080 15.864 1.00 0.00 C ATOM 476 O MET A 30 0.419 14.012 14.638 1.00 0.00 O ATOM 477 CB MET A 30 -1.647 13.497 16.955 1.00 0.00 C ATOM 478 CG MET A 30 -2.579 12.343 17.357 1.00 0.00 C ATOM 479 SD MET A 30 -3.488 11.630 15.963 1.00 0.00 S ATOM 480 CE MET A 30 -4.783 10.851 16.963 1.00 0.00 C ATOM 0 H MET A 30 0.077 13.147 18.732 1.00 0.00 H new ATOM 0 HA MET A 30 -0.261 12.075 16.141 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.630 14.241 17.751 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.044 13.989 16.067 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.990 11.560 17.835 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.292 12.703 18.099 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.709 10.809 16.390 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.477 9.840 17.232 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.943 11.435 17.870 1.00 0.00 H new ATOM 490 N ARG A 31 1.065 15.066 16.546 1.00 0.00 N ATOM 491 CA ARG A 31 1.851 16.100 15.929 1.00 0.00 C ATOM 492 C ARG A 31 3.106 15.551 15.301 1.00 0.00 C ATOM 493 O ARG A 31 3.461 15.955 14.193 1.00 0.00 O ATOM 494 CB ARG A 31 2.282 17.180 16.944 1.00 0.00 C ATOM 495 CG ARG A 31 2.648 18.549 16.342 1.00 0.00 C ATOM 496 CD ARG A 31 1.456 19.330 15.772 1.00 0.00 C ATOM 497 NE ARG A 31 0.458 19.531 16.863 1.00 0.00 N ATOM 498 CZ ARG A 31 -0.706 20.206 16.635 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.956 20.751 15.409 1.00 0.00 N ATOM 500 NH2 ARG A 31 -1.624 20.335 17.637 1.00 0.00 N ATOM 0 H ARG A 31 1.018 15.148 17.562 1.00 0.00 H new ATOM 0 HA ARG A 31 1.207 16.537 15.166 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.474 17.323 17.661 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.141 16.807 17.502 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.129 19.154 17.111 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.381 18.399 15.549 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.786 20.291 15.378 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.006 18.784 14.943 1.00 0.00 H new ATOM 0 HE ARG A 31 0.649 19.158 17.793 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.272 20.655 14.659 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.827 21.255 15.243 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.439 19.927 18.554 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.495 20.839 17.469 1.00 0.00 H new ATOM 514 N ARG A 32 3.813 14.644 16.018 1.00 0.00 N ATOM 515 CA ARG A 32 5.114 14.155 15.635 1.00 0.00 C ATOM 516 C ARG A 32 5.006 13.199 14.488 1.00 0.00 C ATOM 517 O ARG A 32 5.747 13.321 13.513 1.00 0.00 O ATOM 518 CB ARG A 32 5.844 13.476 16.820 1.00 0.00 C ATOM 519 CG ARG A 32 7.339 13.171 16.616 1.00 0.00 C ATOM 520 CD ARG A 32 7.660 11.749 16.139 1.00 0.00 C ATOM 521 NE ARG A 32 9.143 11.618 16.096 1.00 0.00 N ATOM 522 CZ ARG A 32 9.732 10.514 15.550 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.969 9.511 15.029 1.00 0.00 N ATOM 524 NH2 ARG A 32 11.094 10.415 15.526 1.00 0.00 N ATOM 0 H ARG A 32 3.470 14.239 16.889 1.00 0.00 H new ATOM 0 HA ARG A 32 5.703 15.018 15.325 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.742 14.116 17.697 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.332 12.541 17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.741 13.879 15.891 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.860 13.347 17.557 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.229 11.011 16.815 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.230 11.568 15.154 1.00 0.00 H new ATOM 0 HE ARG A 32 9.726 12.362 16.479 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.952 9.583 15.046 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.416 8.689 14.623 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.667 11.164 15.915 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.538 9.592 15.119 1.00 0.00 H new ATOM 538 N ARG A 33 4.088 12.213 14.604 1.00 0.00 N ATOM 539 CA ARG A 33 3.890 11.175 13.630 1.00 0.00 C ATOM 540 C ARG A 33 3.260 11.746 12.392 1.00 0.00 C ATOM 541 O ARG A 33 3.609 11.373 11.273 1.00 0.00 O ATOM 542 CB ARG A 33 2.975 10.076 14.201 1.00 0.00 C ATOM 543 CG ARG A 33 3.317 8.634 13.817 1.00 0.00 C ATOM 544 CD ARG A 33 4.669 8.114 14.334 1.00 0.00 C ATOM 545 NE ARG A 33 4.818 8.412 15.786 1.00 0.00 N ATOM 546 CZ ARG A 33 5.883 7.912 16.481 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.760 7.059 15.875 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.077 8.269 17.784 1.00 0.00 N ATOM 0 H ARG A 33 3.461 12.137 15.405 1.00 0.00 H new ATOM 0 HA ARG A 33 4.860 10.744 13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.989 10.152 15.288 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.954 10.281 13.880 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.529 7.980 14.191 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.308 8.554 12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.740 7.039 14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.482 8.578 13.776 1.00 0.00 H new ATOM 0 HE ARG A 33 4.125 8.990 16.262 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.621 6.793 14.900 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.554 6.688 16.397 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.427 8.909 18.240 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.872 7.895 18.302 1.00 0.00 H new ATOM 562 N GLY A 34 2.333 12.701 12.598 1.00 0.00 N ATOM 563 CA GLY A 34 1.785 13.532 11.564 1.00 0.00 C ATOM 564 C GLY A 34 0.593 12.906 10.947 1.00 0.00 C ATOM 565 O GLY A 34 0.585 12.519 9.780 1.00 0.00 O ATOM 0 H GLY A 34 1.949 12.904 13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.515 14.503 11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.541 13.712 10.800 1.00 0.00 H new ATOM 569 N LEU A 35 -0.473 12.876 11.761 1.00 0.00 N ATOM 570 CA LEU A 35 -1.821 12.647 11.344 1.00 0.00 C ATOM 571 C LEU A 35 -2.486 13.971 11.386 1.00 0.00 C ATOM 572 O LEU A 35 -3.673 14.117 11.101 1.00 0.00 O ATOM 573 CB LEU A 35 -2.617 11.935 12.420 1.00 0.00 C ATOM 574 CG LEU A 35 -2.217 10.486 12.737 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.420 9.571 11.523 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.844 10.263 13.401 1.00 0.00 C ATOM 0 H LEU A 35 -0.391 13.020 12.768 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.793 12.110 10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.541 12.517 13.339 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.666 11.940 12.125 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.912 10.204 13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.127 8.553 11.781 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.470 9.583 11.230 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.807 9.925 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.690 9.197 13.569 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.058 10.645 12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.812 10.789 14.355 1.00 0.00 H new ATOM 588 N THR A 36 -1.689 14.948 11.832 1.00 0.00 N ATOM 589 CA THR A 36 -2.131 16.209 12.374 1.00 0.00 C ATOM 590 C THR A 36 -2.556 17.210 11.333 1.00 0.00 C ATOM 591 O THR A 36 -3.112 18.253 11.672 1.00 0.00 O ATOM 592 CB THR A 36 -1.048 16.819 13.245 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.526 17.927 13.986 1.00 0.00 O ATOM 594 CG2 THR A 36 0.195 17.234 12.427 1.00 0.00 C ATOM 0 H THR A 36 -0.673 14.863 11.818 1.00 0.00 H new ATOM 0 HA THR A 36 -3.016 15.978 12.966 1.00 0.00 H new ATOM 0 HB THR A 36 -0.751 16.037 13.944 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.502 17.875 14.059 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.942 17.665 13.094 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.613 16.358 11.931 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.092 17.972 11.678 1.00 0.00 H new ATOM 602 N SER A 37 -2.323 16.917 10.039 1.00 0.00 N ATOM 603 CA SER A 37 -2.689 17.840 8.995 1.00 0.00 C ATOM 604 C SER A 37 -3.429 17.089 7.925 1.00 0.00 C ATOM 605 O SER A 37 -2.780 16.352 7.185 1.00 0.00 O ATOM 606 CB SER A 37 -1.474 18.517 8.344 1.00 0.00 C ATOM 607 OG SER A 37 -1.906 19.411 7.329 1.00 0.00 O ATOM 0 H SER A 37 -1.887 16.054 9.714 1.00 0.00 H new ATOM 0 HA SER A 37 -3.302 18.617 9.452 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.901 19.058 9.097 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.811 17.763 7.919 1.00 0.00 H new ATOM 0 HG SER A 37 -1.127 19.841 6.918 1.00 0.00 H new ATOM 613 N PRO A 38 -4.741 17.216 7.743 1.00 0.00 N ATOM 614 CA PRO A 38 -5.722 17.721 8.676 1.00 0.00 C ATOM 615 C PRO A 38 -5.872 16.694 9.760 1.00 0.00 C ATOM 616 O PRO A 38 -5.569 15.525 9.513 1.00 0.00 O ATOM 617 CB PRO A 38 -7.015 17.806 7.861 1.00 0.00 C ATOM 618 CG PRO A 38 -6.847 16.774 6.742 1.00 0.00 C ATOM 619 CD PRO A 38 -5.337 16.754 6.505 1.00 0.00 C ATOM 0 HA PRO A 38 -5.461 18.680 9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.885 17.582 8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.161 18.807 7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.220 15.794 7.039 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.391 17.063 5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.993 15.750 6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.062 17.402 5.672 1.00 0.00 H new ATOM 627 N CYS A 39 -6.341 17.133 10.957 1.00 0.00 N ATOM 628 CA CYS A 39 -6.486 16.338 12.137 1.00 0.00 C ATOM 629 C CYS A 39 -7.381 15.166 11.872 1.00 0.00 C ATOM 630 O CYS A 39 -8.525 15.327 11.445 1.00 0.00 O ATOM 631 CB CYS A 39 -7.144 17.137 13.278 1.00 0.00 C ATOM 632 SG CYS A 39 -6.391 18.764 13.592 1.00 0.00 S ATOM 0 H CYS A 39 -6.633 18.100 11.099 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.483 16.020 12.421 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.199 17.278 13.044 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.097 16.546 14.193 1.00 0.00 H new ATOM 637 N LYS A 40 -6.834 13.957 12.122 1.00 0.00 N ATOM 638 CA LYS A 40 -7.528 12.712 11.964 1.00 0.00 C ATOM 639 C LYS A 40 -8.509 12.634 13.086 1.00 0.00 C ATOM 640 O LYS A 40 -8.177 12.963 14.221 1.00 0.00 O ATOM 641 CB LYS A 40 -6.551 11.517 12.033 1.00 0.00 C ATOM 642 CG LYS A 40 -7.163 10.117 11.859 1.00 0.00 C ATOM 643 CD LYS A 40 -7.831 9.868 10.500 1.00 0.00 C ATOM 644 CE LYS A 40 -8.502 8.491 10.410 1.00 0.00 C ATOM 645 NZ LYS A 40 -7.513 7.407 10.610 1.00 0.00 N ATOM 0 H LYS A 40 -5.873 13.844 12.446 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.020 12.666 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.790 11.654 11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.041 11.549 12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.379 9.373 12.004 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.902 9.959 12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.576 10.643 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.083 9.955 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.288 8.415 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.980 8.378 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.959 6.489 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.709 7.548 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.175 7.422 11.594 1.00 0.00 H new ATOM 659 N ASP A 41 -9.752 12.212 12.760 1.00 0.00 N ATOM 660 CA ASP A 41 -10.876 12.285 13.651 1.00 0.00 C ATOM 661 C ASP A 41 -10.795 11.281 14.751 1.00 0.00 C ATOM 662 O ASP A 41 -11.162 11.588 15.883 1.00 0.00 O ATOM 663 CB ASP A 41 -12.216 12.074 12.931 1.00 0.00 C ATOM 664 CG ASP A 41 -12.328 13.132 11.843 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.320 14.343 12.190 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.420 12.741 10.649 1.00 0.00 O ATOM 0 H ASP A 41 -9.980 11.809 11.851 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.834 13.293 14.063 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.265 11.074 12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.045 12.158 13.633 1.00 0.00 H new ATOM 671 N ILE A 42 -10.324 10.054 14.455 1.00 0.00 N ATOM 672 CA ILE A 42 -10.084 9.119 15.511 1.00 0.00 C ATOM 673 C ILE A 42 -8.912 8.308 15.070 1.00 0.00 C ATOM 674 O ILE A 42 -8.855 7.858 13.926 1.00 0.00 O ATOM 675 CB ILE A 42 -11.307 8.292 15.895 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.187 7.768 17.338 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.626 7.168 14.885 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.562 7.534 17.965 1.00 0.00 C ATOM 0 H ILE A 42 -10.115 9.717 13.515 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.864 9.635 16.445 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.165 8.963 15.855 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.621 6.837 17.342 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.628 8.484 17.941 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.507 6.619 15.218 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.819 7.604 13.905 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.777 6.487 14.818 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.440 7.164 18.983 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.118 8.472 17.984 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.110 6.799 17.376 1.00 0.00 H new ATOM 690 N ASN A 43 -7.927 8.131 15.970 1.00 0.00 N ATOM 691 CA ASN A 43 -6.809 7.288 15.621 1.00 0.00 C ATOM 692 C ASN A 43 -6.293 6.656 16.863 1.00 0.00 C ATOM 693 O ASN A 43 -6.025 7.326 17.860 1.00 0.00 O ATOM 694 CB ASN A 43 -5.644 8.002 14.905 1.00 0.00 C ATOM 695 CG ASN A 43 -4.723 6.979 14.236 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.117 6.579 12.990 1.00 0.00 O flip ATOM 697 ND2 ASN A 43 -3.693 6.574 14.788 1.00 0.00 N flip ATOM 0 H ASN A 43 -7.895 8.547 16.901 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.192 6.562 14.904 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.036 8.692 14.158 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.078 8.597 15.622 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.449 6.908 15.720 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.088 5.906 14.311 1.00 0.00 H new ATOM 704 N THR A 44 -6.155 5.318 16.802 1.00 0.00 N ATOM 705 CA THR A 44 -5.821 4.514 17.934 1.00 0.00 C ATOM 706 C THR A 44 -4.380 4.151 17.882 1.00 0.00 C ATOM 707 O THR A 44 -3.957 3.422 16.990 1.00 0.00 O ATOM 708 CB THR A 44 -6.634 3.254 17.926 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.994 3.624 17.807 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.427 2.466 19.227 1.00 0.00 C ATOM 0 H THR A 44 -6.279 4.783 15.942 1.00 0.00 H new ATOM 0 HA THR A 44 -6.031 5.081 18.841 1.00 0.00 H new ATOM 0 HB THR A 44 -6.327 2.618 17.096 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.531 2.833 17.593 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.026 1.556 19.200 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.374 2.205 19.330 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.734 3.077 20.076 1.00 0.00 H new ATOM 718 N PHE A 45 -3.599 4.621 18.873 1.00 0.00 N ATOM 719 CA PHE A 45 -2.241 4.171 18.984 1.00 0.00 C ATOM 720 C PHE A 45 -2.269 2.909 19.796 1.00 0.00 C ATOM 721 O PHE A 45 -2.756 2.902 20.922 1.00 0.00 O ATOM 722 CB PHE A 45 -1.244 5.170 19.604 1.00 0.00 C ATOM 723 CG PHE A 45 -1.115 6.371 18.714 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.982 7.429 18.904 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.147 6.480 17.720 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.919 8.547 18.099 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.070 7.610 16.935 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.966 8.642 17.107 1.00 0.00 C ATOM 0 H PHE A 45 -3.895 5.294 19.580 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.868 4.029 17.970 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.586 5.473 20.594 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.272 4.695 19.734 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.718 7.380 19.693 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.551 5.671 17.562 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.621 9.354 18.247 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.698 7.687 16.180 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.923 9.515 16.473 1.00 0.00 H new ATOM 738 N ILE A 46 -1.750 1.804 19.217 1.00 0.00 N ATOM 739 CA ILE A 46 -1.702 0.508 19.822 1.00 0.00 C ATOM 740 C ILE A 46 -0.336 0.414 20.395 1.00 0.00 C ATOM 741 O ILE A 46 0.614 0.989 19.876 1.00 0.00 O ATOM 742 CB ILE A 46 -1.822 -0.614 18.814 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.095 -0.439 17.962 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.748 -1.996 19.502 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.163 -1.477 16.846 1.00 0.00 C ATOM 0 H ILE A 46 -1.345 1.819 18.281 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.521 0.406 20.535 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.972 -0.566 18.134 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.976 -0.528 18.598 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.112 0.562 17.532 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.837 -2.781 18.751 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.793 -2.095 20.019 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.561 -2.088 20.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.072 -1.326 16.264 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.294 -1.370 16.196 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.171 -2.477 17.279 1.00 0.00 H new ATOM 757 N HIS A 47 -0.245 -0.329 21.502 1.00 0.00 N ATOM 758 CA HIS A 47 0.936 -0.460 22.313 1.00 0.00 C ATOM 759 C HIS A 47 1.076 -1.887 22.713 1.00 0.00 C ATOM 760 O HIS A 47 0.154 -2.490 23.266 1.00 0.00 O ATOM 761 CB HIS A 47 0.909 0.313 23.632 1.00 0.00 C ATOM 762 CG HIS A 47 0.111 1.565 23.556 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.343 2.591 22.671 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.979 1.928 24.273 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.610 3.517 22.888 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.438 3.158 23.850 1.00 0.00 N ATOM 0 H HIS A 47 -1.032 -0.871 21.859 1.00 0.00 H new ATOM 0 HA HIS A 47 1.744 -0.067 21.697 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.498 -0.326 24.413 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.930 0.557 23.925 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.093 2.641 21.982 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.424 1.340 25.062 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.687 4.444 22.339 1.00 0.00 H new ATOM 774 N GLY A 48 2.272 -2.445 22.476 1.00 0.00 N ATOM 775 CA GLY A 48 2.552 -3.773 22.921 1.00 0.00 C ATOM 776 C GLY A 48 3.838 -4.127 22.277 1.00 0.00 C ATOM 777 O GLY A 48 4.791 -3.350 22.329 1.00 0.00 O ATOM 0 H GLY A 48 3.038 -1.985 21.983 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.629 -3.818 24.007 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.760 -4.463 22.629 1.00 0.00 H new ATOM 781 N ASN A 49 3.873 -5.316 21.647 1.00 0.00 N ATOM 782 CA ASN A 49 5.004 -5.724 20.874 1.00 0.00 C ATOM 783 C ASN A 49 4.467 -5.921 19.498 1.00 0.00 C ATOM 784 O ASN A 49 3.335 -6.373 19.336 1.00 0.00 O ATOM 785 CB ASN A 49 5.646 -7.027 21.376 1.00 0.00 C ATOM 786 CG ASN A 49 7.146 -6.965 21.093 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.633 -7.944 20.276 1.00 0.00 O flip ATOM 788 ND2 ASN A 49 7.854 -6.083 21.593 1.00 0.00 N flip ATOM 0 H ASN A 49 3.114 -5.997 21.674 1.00 0.00 H new ATOM 0 HA ASN A 49 5.794 -4.976 20.934 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.466 -7.152 22.444 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.201 -7.887 20.875 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.436 -5.375 22.197 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.856 -6.063 21.401 1.00 0.00 H new ATOM 795 N LYS A 50 5.269 -5.589 18.460 1.00 0.00 N ATOM 796 CA LYS A 50 4.793 -5.702 17.109 1.00 0.00 C ATOM 797 C LYS A 50 5.029 -7.090 16.566 1.00 0.00 C ATOM 798 O LYS A 50 4.617 -7.398 15.449 1.00 0.00 O ATOM 799 CB LYS A 50 5.343 -4.665 16.111 1.00 0.00 C ATOM 800 CG LYS A 50 6.863 -4.481 16.118 1.00 0.00 C ATOM 801 CD LYS A 50 7.345 -3.693 14.892 1.00 0.00 C ATOM 802 CE LYS A 50 8.862 -3.486 14.857 1.00 0.00 C ATOM 803 NZ LYS A 50 9.561 -4.785 14.737 1.00 0.00 N ATOM 0 H LYS A 50 6.226 -5.250 18.553 1.00 0.00 H new ATOM 0 HA LYS A 50 3.727 -5.490 17.194 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.035 -4.955 15.107 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.878 -3.702 16.322 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.162 -3.959 17.027 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.348 -5.457 16.137 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.037 -4.218 13.988 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.853 -2.720 14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.128 -2.845 14.017 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.186 -2.975 15.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.570 -4.620 14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.460 -5.317 15.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.145 -5.332 13.957 1.00 0.00 H new ATOM 817 N ARG A 51 5.676 -7.971 17.364 1.00 0.00 N ATOM 818 CA ARG A 51 5.768 -9.370 17.057 1.00 0.00 C ATOM 819 C ARG A 51 4.481 -9.999 17.488 1.00 0.00 C ATOM 820 O ARG A 51 4.045 -10.981 16.896 1.00 0.00 O ATOM 821 CB ARG A 51 6.968 -10.066 17.743 1.00 0.00 C ATOM 822 CG ARG A 51 7.194 -11.540 17.367 1.00 0.00 C ATOM 823 CD ARG A 51 6.676 -12.529 18.421 1.00 0.00 C ATOM 824 NE ARG A 51 6.811 -13.909 17.866 1.00 0.00 N ATOM 825 CZ ARG A 51 5.917 -14.898 18.164 1.00 0.00 C ATOM 826 NH1 ARG A 51 4.856 -14.663 18.990 1.00 0.00 N ATOM 827 NH2 ARG A 51 6.089 -16.144 17.629 1.00 0.00 N ATOM 0 H ARG A 51 6.140 -7.706 18.233 1.00 0.00 H new ATOM 0 HA ARG A 51 5.937 -9.488 15.987 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.873 -9.507 17.504 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.831 -10.003 18.823 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.701 -11.744 16.416 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.260 -11.708 17.216 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.245 -12.433 19.346 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.635 -12.316 18.664 1.00 0.00 H new ATOM 0 HE ARG A 51 7.594 -14.119 17.246 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.721 -13.737 19.396 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.198 -15.413 19.202 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.880 -16.330 17.013 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.426 -16.888 17.846 1.00 0.00 H new ATOM 841 N SER A 52 3.847 -9.429 18.537 1.00 0.00 N ATOM 842 CA SER A 52 2.572 -9.847 19.026 1.00 0.00 C ATOM 843 C SER A 52 1.486 -9.383 18.109 1.00 0.00 C ATOM 844 O SER A 52 0.472 -10.067 17.999 1.00 0.00 O ATOM 845 CB SER A 52 2.297 -9.349 20.447 1.00 0.00 C ATOM 846 OG SER A 52 3.257 -9.887 21.343 1.00 0.00 O ATOM 0 H SER A 52 4.242 -8.648 19.061 1.00 0.00 H new ATOM 0 HA SER A 52 2.587 -10.936 19.058 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.333 -8.260 20.473 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.294 -9.642 20.756 1.00 0.00 H new ATOM 0 HG SER A 52 3.076 -9.563 22.250 1.00 0.00 H new ATOM 852 N ILE A 53 1.681 -8.218 17.440 1.00 0.00 N ATOM 853 CA ILE A 53 0.820 -7.737 16.380 1.00 0.00 C ATOM 854 C ILE A 53 0.792 -8.725 15.242 1.00 0.00 C ATOM 855 O ILE A 53 -0.275 -9.222 14.884 1.00 0.00 O ATOM 856 CB ILE A 53 1.245 -6.360 15.876 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.052 -5.287 16.968 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.519 -5.953 14.582 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.410 -4.953 17.235 1.00 0.00 C ATOM 0 H ILE A 53 2.460 -7.591 17.641 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.183 -7.636 16.794 1.00 0.00 H new ATOM 0 HB ILE A 53 2.306 -6.430 15.637 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.513 -5.633 17.893 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.576 -4.379 16.671 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.859 -4.966 14.269 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.738 -6.678 13.798 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.556 -5.926 14.761 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.473 -4.192 18.013 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.870 -4.577 16.321 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.934 -5.851 17.562 1.00 0.00 H new ATOM 871 N LYS A 54 1.971 -9.028 14.658 1.00 0.00 N ATOM 872 CA LYS A 54 2.113 -9.965 13.552 1.00 0.00 C ATOM 873 C LYS A 54 1.586 -11.338 13.853 1.00 0.00 C ATOM 874 O LYS A 54 0.976 -11.967 12.983 1.00 0.00 O ATOM 875 CB LYS A 54 3.559 -10.230 13.107 1.00 0.00 C ATOM 876 CG LYS A 54 4.179 -9.077 12.319 1.00 0.00 C ATOM 877 CD LYS A 54 5.577 -9.421 11.789 1.00 0.00 C ATOM 878 CE LYS A 54 6.233 -8.271 11.023 1.00 0.00 C ATOM 879 NZ LYS A 54 7.527 -8.705 10.455 1.00 0.00 N ATOM 0 H LYS A 54 2.856 -8.616 14.955 1.00 0.00 H new ATOM 0 HA LYS A 54 1.543 -9.452 12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.171 -10.427 13.987 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.582 -11.131 12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.529 -8.820 11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.241 -8.195 12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.216 -9.702 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.506 -10.290 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.572 -7.934 10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.387 -7.422 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.962 -7.914 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.160 -9.006 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.371 -9.501 9.804 1.00 0.00 H new ATOM 893 N ALA A 55 1.803 -11.803 15.112 1.00 0.00 N ATOM 894 CA ALA A 55 1.422 -13.097 15.616 1.00 0.00 C ATOM 895 C ALA A 55 -0.035 -13.380 15.506 1.00 0.00 C ATOM 896 O ALA A 55 -0.374 -14.557 15.442 1.00 0.00 O ATOM 897 CB ALA A 55 1.739 -13.328 17.103 1.00 0.00 C ATOM 0 H ALA A 55 2.274 -11.237 15.818 1.00 0.00 H new ATOM 0 HA ALA A 55 2.018 -13.751 14.980 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.417 -14.328 17.393 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.812 -13.231 17.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.213 -12.588 17.706 1.00 0.00 H new ATOM 903 N ILE A 56 -0.902 -12.326 15.473 1.00 0.00 N ATOM 904 CA ILE A 56 -2.341 -12.426 15.391 1.00 0.00 C ATOM 905 C ILE A 56 -2.759 -13.214 14.189 1.00 0.00 C ATOM 906 O ILE A 56 -3.698 -14.007 14.263 1.00 0.00 O ATOM 907 CB ILE A 56 -3.023 -11.061 15.346 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.696 -10.241 16.610 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.550 -11.205 15.196 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.049 -8.758 16.456 1.00 0.00 C ATOM 0 H ILE A 56 -0.578 -11.359 15.505 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.657 -12.938 16.300 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.638 -10.532 14.474 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.241 -10.655 17.458 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.634 -10.337 16.836 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.008 -10.216 15.167 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.776 -11.737 14.272 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.948 -11.764 16.043 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.799 -8.227 17.374 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.484 -8.334 15.626 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.116 -8.657 16.258 1.00 0.00 H new ATOM 922 N CYS A 57 -2.065 -13.003 13.053 1.00 0.00 N ATOM 923 CA CYS A 57 -2.524 -13.528 11.802 1.00 0.00 C ATOM 924 C CYS A 57 -2.090 -14.938 11.563 1.00 0.00 C ATOM 925 O CYS A 57 -2.696 -15.625 10.740 1.00 0.00 O ATOM 926 CB CYS A 57 -2.032 -12.712 10.610 1.00 0.00 C ATOM 927 SG CYS A 57 -2.388 -10.953 10.828 1.00 0.00 S ATOM 0 H CYS A 57 -1.194 -12.474 13.001 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.610 -13.479 11.881 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.959 -12.856 10.486 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.509 -13.072 9.698 1.00 0.00 H new ATOM 932 N GLU A 58 -1.023 -15.395 12.254 1.00 0.00 N ATOM 933 CA GLU A 58 -0.414 -16.666 11.967 1.00 0.00 C ATOM 934 C GLU A 58 -0.739 -17.677 13.026 1.00 0.00 C ATOM 935 O GLU A 58 0.150 -18.333 13.569 1.00 0.00 O ATOM 936 CB GLU A 58 1.115 -16.545 11.774 1.00 0.00 C ATOM 937 CG GLU A 58 1.827 -15.746 12.877 1.00 0.00 C ATOM 938 CD GLU A 58 3.318 -15.718 12.577 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.700 -15.172 11.508 1.00 0.00 O ATOM 940 OE2 GLU A 58 4.097 -16.239 13.419 1.00 0.00 O ATOM 0 H GLU A 58 -0.580 -14.882 13.016 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.836 -17.014 11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.545 -17.546 11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.312 -16.071 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.432 -14.731 12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.646 -16.202 13.850 1.00 0.00 H new ATOM 947 N ASN A 59 -2.059 -17.835 13.296 1.00 0.00 N ATOM 948 CA ASN A 59 -2.685 -18.870 14.100 1.00 0.00 C ATOM 949 C ASN A 59 -2.604 -18.657 15.586 1.00 0.00 C ATOM 950 O ASN A 59 -3.548 -18.985 16.305 1.00 0.00 O ATOM 951 CB ASN A 59 -2.231 -20.308 13.748 1.00 0.00 C ATOM 952 CG ASN A 59 -3.199 -21.339 14.336 1.00 0.00 C ATOM 953 OD1 ASN A 59 -2.840 -22.106 15.239 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.451 -21.356 13.786 1.00 0.00 N ATOM 0 H ASN A 59 -2.750 -17.185 12.921 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.734 -18.770 13.820 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.181 -20.424 12.665 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.227 -20.483 14.134 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.145 -22.025 14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.691 -20.699 13.043 1.00 0.00 H new ATOM 961 N LYS A 60 -1.482 -18.098 16.077 1.00 0.00 N ATOM 962 CA LYS A 60 -1.289 -17.747 17.450 1.00 0.00 C ATOM 963 C LYS A 60 -2.095 -16.519 17.690 1.00 0.00 C ATOM 964 O LYS A 60 -2.346 -15.772 16.746 1.00 0.00 O ATOM 965 CB LYS A 60 0.172 -17.380 17.767 1.00 0.00 C ATOM 966 CG LYS A 60 1.168 -18.508 17.467 1.00 0.00 C ATOM 967 CD LYS A 60 2.636 -18.113 17.702 1.00 0.00 C ATOM 968 CE LYS A 60 2.986 -17.788 19.160 1.00 0.00 C ATOM 969 NZ LYS A 60 2.713 -18.947 20.038 1.00 0.00 N ATOM 0 H LYS A 60 -0.675 -17.882 15.491 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.573 -18.599 18.068 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.450 -16.498 17.189 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.249 -17.109 18.820 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.928 -19.369 18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.047 -18.822 16.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.276 -18.927 17.361 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.868 -17.245 17.085 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.038 -17.511 19.233 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.406 -16.928 19.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.081 -18.755 20.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.687 -19.110 20.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.179 -19.793 19.651 1.00 0.00 H new ATOM 983 N ASN A 61 -2.487 -16.311 18.973 1.00 0.00 N ATOM 984 CA ASN A 61 -3.275 -15.227 19.531 1.00 0.00 C ATOM 985 C ASN A 61 -4.236 -14.551 18.584 1.00 0.00 C ATOM 986 O ASN A 61 -4.193 -13.336 18.399 1.00 0.00 O ATOM 987 CB ASN A 61 -2.420 -14.194 20.311 1.00 0.00 C ATOM 988 CG ASN A 61 -1.135 -13.793 19.579 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.218 -12.657 18.826 1.00 0.00 O flip ATOM 990 ND2 ASN A 61 -0.094 -14.448 19.712 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.223 -16.976 19.700 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.917 -15.742 20.246 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.019 -13.302 20.494 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.160 -14.609 21.285 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.091 -15.290 20.288 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.762 -14.146 19.246 1.00 0.00 H new ATOM 997 N GLY A 62 -5.141 -15.331 17.953 1.00 0.00 N ATOM 998 CA GLY A 62 -6.068 -14.732 17.049 1.00 0.00 C ATOM 999 C GLY A 62 -6.744 -15.801 16.265 1.00 0.00 C ATOM 1000 O GLY A 62 -6.146 -16.829 15.951 1.00 0.00 O ATOM 0 H GLY A 62 -5.227 -16.341 18.066 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.805 -14.146 17.599 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.550 -14.045 16.380 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.028 -15.547 15.934 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.836 -16.435 15.147 1.00 0.00 C ATOM 1006 C ASN A 63 -9.398 -15.553 14.067 1.00 0.00 C ATOM 1007 O ASN A 63 -9.307 -14.336 14.228 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.954 -17.120 15.979 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.800 -16.113 16.764 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.741 -15.500 16.244 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.464 -15.985 18.083 1.00 0.00 N ATOM 0 H ASN A 63 -8.518 -14.700 16.222 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.257 -17.268 14.748 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.600 -17.691 15.313 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.503 -17.830 16.672 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.999 -15.361 18.687 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.678 -16.513 18.463 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.954 -16.067 12.975 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.456 -15.239 11.912 1.00 0.00 C ATOM 1020 C PRO A 64 -11.760 -14.658 12.361 1.00 0.00 C ATOM 1021 O PRO A 64 -12.581 -15.366 12.945 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.632 -16.174 10.712 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.657 -17.584 11.305 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.792 -17.449 12.558 1.00 0.00 C ATOM 0 HA PRO A 64 -9.796 -14.413 11.647 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.555 -15.956 10.175 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.814 -16.060 10.000 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.671 -17.901 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.250 -18.320 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.116 -18.138 13.338 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.748 -17.678 12.344 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.944 -13.356 12.068 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.133 -12.632 12.393 1.00 0.00 C ATOM 1034 C HIS A 65 -13.823 -12.456 11.085 1.00 0.00 C ATOM 1035 O HIS A 65 -13.195 -12.588 10.035 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.800 -11.240 12.960 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.951 -10.505 13.565 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.443 -10.821 14.800 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.630 -9.420 13.125 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.390 -9.946 15.106 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.526 -9.086 14.105 1.00 0.00 N ATOM 0 H HIS A 65 -11.242 -12.791 11.590 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.727 -13.156 13.142 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.023 -11.350 13.716 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.381 -10.630 12.159 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.491 -8.914 12.181 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.960 -9.935 16.023 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.186 -8.309 14.071 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.138 -12.161 11.125 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.938 -12.017 9.965 1.00 0.00 C ATOM 1052 C ARG A 66 -15.601 -10.771 9.213 1.00 0.00 C ATOM 1053 O ARG A 66 -15.193 -9.770 9.797 1.00 0.00 O ATOM 1054 CB ARG A 66 -17.452 -11.964 10.232 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.974 -13.075 11.155 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.776 -14.486 10.589 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.376 -15.452 11.551 1.00 0.00 N ATOM 1058 CZ ARG A 66 -18.326 -16.794 11.308 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.722 -17.267 10.179 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -18.886 -17.668 12.195 1.00 0.00 N ATOM 0 H ARG A 66 -15.651 -12.020 11.995 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.711 -12.916 9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.697 -10.998 10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.979 -12.023 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.467 -13.004 12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.036 -12.913 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.251 -14.575 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.716 -14.696 10.449 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.828 -15.108 12.398 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.306 -16.617 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.687 -18.271 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.341 -17.318 13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.849 -18.671 12.015 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.821 -10.851 7.887 1.00 0.00 N ATOM 1075 CA GLU A 67 -15.621 -9.837 6.886 1.00 0.00 C ATOM 1076 C GLU A 67 -14.157 -9.567 6.692 1.00 0.00 C ATOM 1077 O GLU A 67 -13.721 -8.421 6.774 1.00 0.00 O ATOM 1078 CB GLU A 67 -16.420 -8.536 7.137 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.621 -7.670 5.884 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.477 -6.474 6.275 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.021 -5.672 7.133 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.601 -6.345 5.718 1.00 0.00 O ATOM 0 H GLU A 67 -16.175 -11.713 7.473 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.028 -10.239 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.396 -8.796 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.904 -7.946 7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.660 -7.339 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.107 -8.246 5.096 1.00 0.00 H new ATOM 1089 N ASN A 68 -13.386 -10.647 6.384 1.00 0.00 N ATOM 1090 CA ASN A 68 -11.963 -10.687 6.082 1.00 0.00 C ATOM 1091 C ASN A 68 -11.097 -10.001 7.107 1.00 0.00 C ATOM 1092 O ASN A 68 -10.190 -9.241 6.773 1.00 0.00 O ATOM 1093 CB ASN A 68 -11.569 -10.284 4.625 1.00 0.00 C ATOM 1094 CG ASN A 68 -12.058 -8.897 4.170 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -13.153 -8.775 3.607 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -11.214 -7.846 4.399 1.00 0.00 N ATOM 0 H ASN A 68 -13.797 -11.580 6.342 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.746 -11.753 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.483 -10.314 4.539 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.964 -11.033 3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.477 -6.907 4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.322 -8.001 4.868 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.364 -10.265 8.401 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.738 -9.551 9.474 1.00 0.00 C ATOM 1105 C LEU A 69 -10.122 -10.597 10.319 1.00 0.00 C ATOM 1106 O LEU A 69 -10.202 -11.786 10.014 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.752 -8.678 10.243 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.106 -7.387 9.472 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.531 -6.891 9.754 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.074 -6.277 9.703 1.00 0.00 C ATOM 0 H LEU A 69 -12.022 -10.982 8.706 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.989 -8.843 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.660 -9.252 10.425 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.340 -8.417 11.218 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.073 -7.655 8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.719 -5.982 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.248 -7.658 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.639 -6.681 10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.363 -5.389 9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.030 -6.037 10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.094 -6.615 9.366 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.445 -10.154 11.388 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.652 -11.043 12.176 1.00 0.00 C ATOM 1124 C ARG A 70 -8.657 -10.469 13.551 1.00 0.00 C ATOM 1125 O ARG A 70 -8.098 -9.400 13.793 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.198 -11.142 11.663 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.419 -12.339 12.219 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.749 -13.662 11.533 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.074 -14.738 12.309 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.080 -16.029 11.865 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.694 -16.352 10.691 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.471 -17.001 12.604 1.00 0.00 N ATOM 0 H ARG A 70 -9.445 -9.185 11.707 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.061 -12.052 12.134 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.211 -11.204 10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.669 -10.225 11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.351 -12.144 12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.626 -12.432 13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.827 -13.824 11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.402 -13.657 10.500 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.601 -14.508 13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.152 -15.627 10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.695 -17.318 10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.014 -16.762 13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.473 -17.967 12.277 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.306 -11.185 14.488 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.442 -10.732 15.840 1.00 0.00 C ATOM 1148 C ILE A 71 -8.180 -11.156 16.525 1.00 0.00 C ATOM 1149 O ILE A 71 -7.590 -12.166 16.148 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.688 -11.371 16.477 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.657 -10.358 17.126 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -10.402 -12.570 17.412 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -11.099 -9.577 18.318 1.00 0.00 C ATOM 0 H ILE A 71 -9.742 -12.089 14.306 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.578 -9.653 15.917 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.207 -11.789 15.615 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.973 -9.646 16.364 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.549 -10.893 17.451 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.341 -12.952 17.812 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.900 -13.358 16.850 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -9.763 -12.246 18.233 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.861 -8.896 18.696 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.811 -10.273 19.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.226 -9.006 18.002 1.00 0.00 H new ATOM 1165 N SER A 72 -7.743 -10.390 17.548 1.00 0.00 N ATOM 1166 CA SER A 72 -6.624 -10.790 18.356 1.00 0.00 C ATOM 1167 C SER A 72 -7.162 -11.383 19.610 1.00 0.00 C ATOM 1168 O SER A 72 -8.317 -11.157 19.962 1.00 0.00 O ATOM 1169 CB SER A 72 -5.694 -9.636 18.749 1.00 0.00 C ATOM 1170 OG SER A 72 -6.307 -8.789 19.702 1.00 0.00 O ATOM 0 H SER A 72 -8.161 -9.499 17.815 1.00 0.00 H new ATOM 0 HA SER A 72 -6.034 -11.489 17.763 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.766 -10.036 19.157 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.430 -9.060 17.862 1.00 0.00 H new ATOM 0 HG SER A 72 -5.694 -8.643 20.452 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.314 -12.158 20.318 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.646 -12.705 21.603 1.00 0.00 C ATOM 1178 C LYS A 73 -5.503 -12.345 22.495 1.00 0.00 C ATOM 1179 O LYS A 73 -5.318 -12.930 23.562 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.813 -14.242 21.619 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.985 -14.771 20.771 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.378 -14.291 21.212 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.790 -14.758 22.611 1.00 0.00 C ATOM 1184 NZ LYS A 73 -11.164 -14.300 22.911 1.00 0.00 N ATOM 0 H LYS A 73 -5.381 -12.409 19.992 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.609 -12.302 21.915 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.889 -14.698 21.262 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.952 -14.568 22.650 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.827 -14.473 19.734 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.968 -15.861 20.796 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.400 -13.202 21.184 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.116 -14.644 20.492 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.739 -15.845 22.671 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.096 -14.365 23.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.437 -14.621 23.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.200 -13.261 22.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.823 -14.696 22.210 1.00 0.00 H new ATOM 1198 N SER A 74 -4.712 -11.346 22.060 1.00 0.00 N ATOM 1199 CA SER A 74 -3.678 -10.748 22.817 1.00 0.00 C ATOM 1200 C SER A 74 -4.179 -9.356 22.919 1.00 0.00 C ATOM 1201 O SER A 74 -4.095 -8.573 21.982 1.00 0.00 O ATOM 1202 CB SER A 74 -2.324 -10.751 22.090 1.00 0.00 C ATOM 1203 OG SER A 74 -2.496 -10.523 20.699 1.00 0.00 O ATOM 0 H SER A 74 -4.807 -10.941 21.129 1.00 0.00 H new ATOM 0 HA SER A 74 -3.490 -11.263 23.759 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.678 -9.981 22.512 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.824 -11.707 22.247 1.00 0.00 H new ATOM 0 HG SER A 74 -2.261 -9.595 20.488 1.00 0.00 H new ATOM 1209 N SER A 75 -4.771 -9.052 24.076 1.00 0.00 N ATOM 1210 CA SER A 75 -5.220 -7.729 24.415 1.00 0.00 C ATOM 1211 C SER A 75 -4.050 -6.798 24.526 1.00 0.00 C ATOM 1212 O SER A 75 -3.149 -7.007 25.336 1.00 0.00 O ATOM 1213 CB SER A 75 -5.978 -7.666 25.750 1.00 0.00 C ATOM 1214 OG SER A 75 -7.156 -8.451 25.679 1.00 0.00 O ATOM 0 H SER A 75 -4.948 -9.741 24.807 1.00 0.00 H new ATOM 0 HA SER A 75 -5.899 -7.436 23.614 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.340 -8.026 26.557 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.234 -6.632 25.983 1.00 0.00 H new ATOM 0 HG SER A 75 -7.327 -8.701 24.747 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.060 -5.742 23.682 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.014 -4.760 23.635 1.00 0.00 C ATOM 1222 C PHE A 76 -3.515 -3.558 24.344 1.00 0.00 C ATOM 1223 O PHE A 76 -4.723 -3.355 24.475 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.652 -4.275 22.211 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.168 -5.385 21.337 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.099 -6.125 20.643 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.819 -5.657 21.152 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.702 -7.172 19.845 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.414 -6.696 20.329 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.368 -7.472 19.704 1.00 0.00 C ATOM 0 H PHE A 76 -4.814 -5.568 23.017 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.130 -5.227 24.070 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.527 -3.812 21.755 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.882 -3.506 22.277 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.148 -5.881 20.726 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.078 -5.053 21.654 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.443 -7.762 19.326 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.637 -6.896 20.179 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.066 -8.317 19.103 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.553 -2.725 24.797 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.828 -1.469 25.419 1.00 0.00 C ATOM 1242 C GLN A 77 -3.093 -0.568 24.282 1.00 0.00 C ATOM 1243 O GLN A 77 -2.463 -0.673 23.236 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.636 -1.015 26.307 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.918 -0.353 27.678 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.919 0.807 27.651 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -2.710 1.852 27.029 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -4.035 0.608 28.416 1.00 0.00 N ATOM 0 H GLN A 77 -1.557 -2.935 24.726 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.673 -1.495 26.107 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.012 -1.890 26.489 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.041 -0.314 25.722 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.290 -1.116 28.362 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.976 0.011 28.088 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.163 -0.274 28.912 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.740 1.342 28.491 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.081 0.320 24.454 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.597 1.078 23.364 1.00 0.00 C ATOM 1259 C VAL A 78 -4.874 2.429 23.940 1.00 0.00 C ATOM 1260 O VAL A 78 -5.265 2.553 25.097 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.826 0.380 22.798 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.059 1.286 22.596 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.355 -0.304 21.503 1.00 0.00 C ATOM 0 H VAL A 78 -4.525 0.514 25.352 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.914 1.172 22.520 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.204 -0.343 23.521 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.881 0.697 22.190 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.357 1.713 23.553 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.811 2.089 21.902 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.193 -0.827 21.042 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.973 0.448 20.813 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.565 -1.018 21.735 1.00 0.00 H new ATOM 1273 N THR A 79 -4.655 3.487 23.137 1.00 0.00 N ATOM 1274 CA THR A 79 -5.066 4.808 23.500 1.00 0.00 C ATOM 1275 C THR A 79 -5.738 5.310 22.276 1.00 0.00 C ATOM 1276 O THR A 79 -5.087 5.702 21.310 1.00 0.00 O ATOM 1277 CB THR A 79 -3.945 5.737 23.900 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.258 5.196 25.013 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.504 7.097 24.329 1.00 0.00 C ATOM 0 H THR A 79 -4.190 3.426 22.231 1.00 0.00 H new ATOM 0 HA THR A 79 -5.696 4.775 24.389 1.00 0.00 H new ATOM 0 HB THR A 79 -3.281 5.854 23.044 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.632 4.507 24.708 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.683 7.754 24.614 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.054 7.542 23.500 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.174 6.964 25.179 1.00 0.00 H new ATOM 1287 N THR A 80 -7.083 5.299 22.314 1.00 0.00 N ATOM 1288 CA THR A 80 -7.903 5.787 21.250 1.00 0.00 C ATOM 1289 C THR A 80 -8.017 7.259 21.454 1.00 0.00 C ATOM 1290 O THR A 80 -8.760 7.723 22.317 1.00 0.00 O ATOM 1291 CB THR A 80 -9.278 5.166 21.276 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.153 3.755 21.180 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.132 5.680 20.105 1.00 0.00 C ATOM 0 H THR A 80 -7.614 4.940 23.107 1.00 0.00 H new ATOM 0 HA THR A 80 -7.459 5.535 20.287 1.00 0.00 H new ATOM 0 HB THR A 80 -9.768 5.440 22.210 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.043 3.346 21.198 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.119 5.219 20.144 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.235 6.763 20.177 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.649 5.423 19.162 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.263 8.026 20.646 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.241 9.447 20.769 1.00 0.00 C ATOM 1303 C CYS A 81 -8.228 9.996 19.816 1.00 0.00 C ATOM 1304 O CYS A 81 -8.094 9.834 18.604 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.884 10.039 20.425 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.605 9.187 21.355 1.00 0.00 S ATOM 0 H CYS A 81 -6.667 7.658 19.905 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.468 9.701 21.804 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.695 9.945 19.356 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.870 11.104 20.658 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.250 10.661 20.376 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.322 11.178 19.585 1.00 0.00 C ATOM 1313 C LYS A 82 -10.090 12.653 19.519 1.00 0.00 C ATOM 1314 O LYS A 82 -9.687 13.272 20.501 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.691 10.901 20.245 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.915 11.302 19.404 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.253 11.093 20.133 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.614 9.628 20.398 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.914 9.542 21.099 1.00 0.00 N ATOM 0 H LYS A 82 -9.336 10.842 21.376 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.342 10.710 18.601 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.759 9.837 20.472 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.733 11.433 21.195 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.824 12.351 19.121 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.918 10.722 18.481 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.219 11.623 21.085 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.048 11.548 19.543 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.663 9.082 19.456 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.836 9.157 20.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.149 8.544 21.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.853 10.047 22.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.655 9.974 20.511 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.343 13.239 18.334 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.108 14.622 18.048 1.00 0.00 C ATOM 1335 C LEU A 83 -11.300 15.393 18.508 1.00 0.00 C ATOM 1336 O LEU A 83 -12.443 15.000 18.280 1.00 0.00 O ATOM 1337 CB LEU A 83 -9.965 14.753 16.511 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.604 16.097 15.827 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -10.814 16.973 15.454 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.497 16.915 16.505 1.00 0.00 C ATOM 0 H LEU A 83 -10.728 12.727 17.541 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.213 14.997 18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.208 14.032 16.204 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.911 14.426 16.079 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.169 15.752 14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.466 17.892 14.981 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.457 16.430 14.762 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.377 17.219 16.355 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.327 17.833 15.943 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.799 17.163 17.523 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.577 16.331 16.532 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.026 16.536 19.165 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.028 17.446 19.626 1.00 0.00 C ATOM 1354 C HIS A 84 -11.545 18.793 19.224 1.00 0.00 C ATOM 1355 O HIS A 84 -10.437 18.936 18.711 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.196 17.411 21.153 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.614 16.051 21.614 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -11.864 15.013 22.044 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -13.909 15.615 21.547 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -12.713 13.958 22.246 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -13.943 14.348 21.939 1.00 0.00 N flip ATOM 0 H HIS A 84 -10.075 16.836 19.382 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.997 17.185 19.202 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.257 17.689 21.632 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.940 18.147 21.458 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -14.758 16.202 21.229 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.430 12.976 22.596 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.780 13.768 21.995 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.390 19.811 19.457 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.077 21.163 19.101 1.00 0.00 C ATOM 1372 C GLY A 85 -13.169 21.615 18.199 1.00 0.00 C ATOM 1373 O GLY A 85 -14.259 21.958 18.652 1.00 0.00 O ATOM 0 H GLY A 85 -13.303 19.697 19.898 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.016 21.795 19.987 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.110 21.221 18.601 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.892 21.622 16.883 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.883 22.059 15.950 1.00 0.00 C ATOM 1379 C GLY A 86 -13.216 22.285 14.639 1.00 0.00 C ATOM 1380 O GLY A 86 -13.857 22.189 13.594 1.00 0.00 O ATOM 0 H GLY A 86 -12.004 21.333 16.472 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.670 21.311 15.853 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.356 22.977 16.299 1.00 0.00 H new ATOM 1384 N SER A 87 -11.905 22.604 14.681 1.00 0.00 N ATOM 1385 CA SER A 87 -11.140 22.853 13.493 1.00 0.00 C ATOM 1386 C SER A 87 -10.720 21.526 12.922 1.00 0.00 C ATOM 1387 O SER A 87 -10.183 20.716 13.677 1.00 0.00 O ATOM 1388 CB SER A 87 -9.849 23.637 13.780 1.00 0.00 C ATOM 1389 OG SER A 87 -10.161 24.894 14.361 1.00 0.00 O ATOM 0 H SER A 87 -11.372 22.690 15.546 1.00 0.00 H new ATOM 0 HA SER A 87 -11.765 23.435 12.816 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.209 23.066 14.452 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.290 23.783 12.856 1.00 0.00 H new ATOM 0 HG SER A 87 -9.333 25.385 14.542 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.904 21.245 11.633 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.404 20.039 11.040 1.00 0.00 C ATOM 1397 C PRO A 88 -8.954 20.240 10.727 1.00 0.00 C ATOM 1398 O PRO A 88 -8.248 19.243 10.648 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.195 19.857 9.744 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.738 21.250 9.407 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.845 21.938 10.768 1.00 0.00 C ATOM 0 HA PRO A 88 -10.508 19.171 11.692 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.559 19.478 8.944 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.005 19.139 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.068 21.789 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.707 21.193 8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.600 22.997 10.692 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.860 21.873 11.161 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.501 21.491 10.524 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.146 21.793 10.164 1.00 0.00 C ATOM 1411 C TRP A 89 -6.376 21.981 11.441 1.00 0.00 C ATOM 1412 O TRP A 89 -7.017 22.127 12.482 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.098 23.077 9.318 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.847 22.893 8.022 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.077 23.359 7.668 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.388 22.080 6.927 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.422 22.880 6.428 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.389 22.096 5.958 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.234 21.369 6.748 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.252 21.401 4.791 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.092 20.671 5.566 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.085 20.686 4.604 1.00 0.00 C ATOM 0 H TRP A 89 -9.093 22.317 10.612 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.714 20.987 9.571 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.532 23.904 9.880 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.061 23.342 9.110 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.691 24.010 8.273 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.295 23.072 5.937 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.462 21.354 7.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.029 21.410 4.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.190 20.104 5.389 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -6.946 20.128 3.690 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.042 21.983 11.434 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.279 22.040 12.650 1.00 0.00 C ATOM 1435 C PRO A 90 -4.380 23.453 13.188 1.00 0.00 C ATOM 1436 O PRO A 90 -4.410 24.364 12.362 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.837 21.689 12.262 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.802 21.737 10.734 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.249 21.455 10.340 1.00 0.00 C ATOM 0 HA PRO A 90 -4.633 21.354 13.419 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.131 22.399 12.693 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.561 20.701 12.630 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.468 22.709 10.370 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.121 20.991 10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.504 21.939 9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.421 20.387 10.206 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.427 23.718 14.484 1.00 0.00 N ATOM 1448 CA PRO A 91 -4.011 22.823 15.526 1.00 0.00 C ATOM 1449 C PRO A 91 -5.149 21.930 15.891 1.00 0.00 C ATOM 1450 O PRO A 91 -6.304 22.201 15.562 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.674 23.715 16.712 1.00 0.00 C ATOM 1452 CG PRO A 91 -4.504 24.971 16.472 1.00 0.00 C ATOM 1453 CD PRO A 91 -4.518 25.085 14.948 1.00 0.00 C ATOM 0 HA PRO A 91 -3.167 22.203 15.224 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.934 23.239 17.657 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.609 23.941 16.752 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.510 24.874 16.879 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.055 25.848 16.939 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.430 25.565 14.594 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.682 25.684 14.587 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.775 20.838 16.567 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.650 19.755 16.886 1.00 0.00 C ATOM 1463 C CYS A 92 -5.672 19.689 18.375 1.00 0.00 C ATOM 1464 O CYS A 92 -4.746 20.170 19.028 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.114 18.402 16.382 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.682 18.376 14.613 1.00 0.00 S ATOM 0 H CYS A 92 -3.823 20.700 16.907 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.623 19.924 16.425 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.231 18.135 16.963 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -5.864 17.634 16.572 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.732 19.082 18.945 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.833 18.936 20.368 1.00 0.00 C ATOM 1473 C GLN A 93 -7.292 17.537 20.617 1.00 0.00 C ATOM 1474 O GLN A 93 -8.488 17.251 20.623 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.813 19.941 21.005 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.833 19.902 22.536 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.817 20.966 23.014 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.018 20.899 22.728 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.273 21.967 23.771 1.00 0.00 N ATOM 0 H GLN A 93 -7.517 18.693 18.423 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.865 19.139 20.825 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.548 20.947 20.680 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.818 19.740 20.633 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.134 18.916 22.890 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.838 20.094 22.937 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.273 21.968 23.973 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.867 22.713 24.133 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.322 16.628 20.823 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.605 15.236 21.007 1.00 0.00 C ATOM 1490 C TYR A 94 -6.806 14.947 22.448 1.00 0.00 C ATOM 1491 O TYR A 94 -5.923 15.202 23.266 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.446 14.341 20.562 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.429 14.397 19.086 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.411 13.721 18.396 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.474 15.118 18.394 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.459 13.779 17.024 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.528 15.180 17.016 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.526 14.519 16.336 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.595 14.586 14.935 1.00 0.00 O ATOM 0 H TYR A 94 -5.330 16.860 20.863 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.492 15.028 20.409 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.501 14.692 20.976 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.587 13.318 20.912 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.146 13.143 18.936 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.689 15.631 18.929 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.228 13.244 16.487 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.787 15.747 16.471 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.375 14.083 14.621 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.984 14.373 22.767 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.241 13.872 24.093 1.00 0.00 C ATOM 1511 C ARG A 95 -8.082 12.395 24.021 1.00 0.00 C ATOM 1512 O ARG A 95 -8.719 11.731 23.206 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.650 14.139 24.653 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.803 15.494 25.360 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.701 16.724 24.449 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.835 17.947 25.298 1.00 0.00 N ATOM 1517 CZ ARG A 95 -8.761 18.517 25.924 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -7.509 17.991 25.788 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -8.944 19.633 26.690 1.00 0.00 N ATOM 0 H ARG A 95 -8.757 14.254 22.113 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.549 14.390 24.757 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.369 14.086 23.836 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.906 13.345 25.355 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.769 15.515 25.864 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.038 15.570 26.133 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.746 16.729 23.923 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.483 16.701 23.690 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.756 18.370 25.414 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.364 17.161 25.213 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.718 18.428 26.261 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.876 20.035 26.792 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.149 20.065 27.161 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.215 11.859 24.901 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.897 10.463 24.929 1.00 0.00 C ATOM 1535 C ALA A 96 -7.894 9.724 25.760 1.00 0.00 C ATOM 1536 O ALA A 96 -8.245 10.164 26.855 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.539 10.222 25.602 1.00 0.00 C ATOM 0 H ALA A 96 -6.725 12.407 25.608 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.892 10.120 23.894 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.321 9.154 25.610 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.760 10.747 25.048 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.569 10.594 26.626 1.00 0.00 H new ATOM 1543 N THR A 97 -8.353 8.559 25.248 1.00 0.00 N ATOM 1544 CA THR A 97 -9.221 7.673 25.974 1.00 0.00 C ATOM 1545 C THR A 97 -8.507 6.359 25.996 1.00 0.00 C ATOM 1546 O THR A 97 -8.331 5.732 24.954 1.00 0.00 O ATOM 1547 CB THR A 97 -10.573 7.499 25.315 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.160 8.773 25.093 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.511 6.666 26.210 1.00 0.00 C ATOM 0 H THR A 97 -8.116 8.227 24.313 1.00 0.00 H new ATOM 0 HA THR A 97 -9.423 8.077 26.966 1.00 0.00 H new ATOM 0 HB THR A 97 -10.431 6.979 24.367 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.034 8.660 24.665 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.477 6.553 25.718 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.073 5.683 26.380 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.647 7.173 27.165 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.079 5.912 27.195 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.332 4.690 27.325 1.00 0.00 C ATOM 1559 C ALA A 98 -8.266 3.519 27.360 1.00 0.00 C ATOM 1560 O ALA A 98 -9.364 3.595 27.909 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.504 4.634 28.617 1.00 0.00 C ATOM 0 H ALA A 98 -8.250 6.396 28.076 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.662 4.655 26.466 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.962 3.690 28.661 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.794 5.461 28.630 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.168 4.712 29.478 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.815 2.389 26.777 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.541 1.153 26.820 1.00 0.00 C ATOM 1569 C GLY A 99 -7.499 0.087 26.759 1.00 0.00 C ATOM 1570 O GLY A 99 -6.339 0.373 26.487 1.00 0.00 O ATOM 0 H GLY A 99 -6.933 2.333 26.268 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.132 1.075 27.733 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.235 1.074 25.983 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.881 -1.173 27.020 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.950 -2.265 26.952 1.00 0.00 C ATOM 1576 C PHE A 100 -7.799 -3.388 26.461 1.00 0.00 C ATOM 1577 O PHE A 100 -8.595 -3.941 27.218 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.319 -2.591 28.329 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.309 -3.698 28.267 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.995 -3.461 27.897 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.659 -4.973 28.674 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.066 -4.480 27.900 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.729 -5.993 28.688 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.430 -5.749 28.297 1.00 0.00 C ATOM 0 H PHE A 100 -8.831 -1.441 27.278 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.095 -2.050 26.311 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.842 -1.694 28.725 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.109 -2.867 29.028 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.695 -2.466 27.603 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.674 -5.173 28.985 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.050 -4.283 27.590 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.020 -6.983 29.006 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.702 -6.547 28.302 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.674 -3.725 25.160 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.583 -4.676 24.582 1.00 0.00 C ATOM 1596 C ARG A 101 -7.964 -5.259 23.359 1.00 0.00 C ATOM 1597 O ARG A 101 -6.890 -4.842 22.928 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.979 -4.101 24.213 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.005 -3.037 23.100 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.427 -2.650 22.664 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.934 -1.563 23.555 1.00 0.00 N ATOM 1602 CZ ARG A 101 -12.877 -1.770 24.524 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.407 -3.008 24.740 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -13.289 -0.719 25.293 1.00 0.00 N ATOM 0 H ARG A 101 -6.968 -3.354 24.525 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.759 -5.427 25.352 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.621 -4.928 23.911 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.419 -3.668 25.111 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.483 -2.145 23.447 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.456 -3.411 22.236 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.424 -2.315 21.627 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.085 -3.517 22.717 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.559 -0.622 23.435 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.101 -3.800 24.174 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.109 -3.142 25.467 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.894 0.209 25.142 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -13.992 -0.862 26.018 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.675 -6.250 22.780 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.311 -6.904 21.558 1.00 0.00 C ATOM 1620 C ASN A 102 -8.467 -5.968 20.405 1.00 0.00 C ATOM 1621 O ASN A 102 -9.472 -5.268 20.282 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.229 -8.093 21.233 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.020 -9.216 22.248 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -7.935 -9.390 22.813 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.107 -10.024 22.440 1.00 0.00 N ATOM 0 H ASN A 102 -9.541 -6.610 23.182 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.283 -7.237 21.699 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.270 -7.771 21.245 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.020 -8.459 20.228 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.046 -10.818 23.077 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.979 -9.832 21.946 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.449 -5.973 19.521 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.465 -5.188 18.321 1.00 0.00 C ATOM 1634 C VAL A 103 -8.045 -6.075 17.263 1.00 0.00 C ATOM 1635 O VAL A 103 -7.728 -7.262 17.198 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.095 -4.664 17.903 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.559 -3.749 19.024 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.096 -5.799 17.601 1.00 0.00 C ATOM 0 H VAL A 103 -6.603 -6.530 19.641 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.056 -4.287 18.484 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.207 -4.103 16.975 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.579 -3.364 18.742 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.246 -2.916 19.174 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.473 -4.319 19.949 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.137 -5.371 17.308 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.963 -6.413 18.492 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.481 -6.416 16.789 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.918 -5.511 16.403 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.345 -6.205 15.223 1.00 0.00 C ATOM 1650 C VAL A 104 -8.551 -5.573 14.143 1.00 0.00 C ATOM 1651 O VAL A 104 -8.775 -4.413 13.803 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.818 -6.075 14.915 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.151 -6.759 13.574 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.575 -6.772 16.047 1.00 0.00 C ATOM 0 H VAL A 104 -9.325 -4.583 16.523 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.192 -7.278 15.341 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.100 -5.025 14.836 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.216 -6.656 13.368 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.579 -6.289 12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.893 -7.817 13.631 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.647 -6.702 15.865 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.282 -7.821 16.089 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.336 -6.290 16.995 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.606 -6.348 13.584 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.806 -5.871 12.483 1.00 0.00 C ATOM 1666 C VAL A 105 -7.304 -6.618 11.283 1.00 0.00 C ATOM 1667 O VAL A 105 -7.760 -7.746 11.434 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.311 -6.104 12.618 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.774 -5.115 13.651 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.905 -7.528 13.025 1.00 0.00 C ATOM 0 H VAL A 105 -7.391 -7.298 13.886 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.913 -4.788 12.426 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.883 -5.957 11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.700 -5.259 13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.968 -4.096 13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.270 -5.282 14.607 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.819 -7.591 13.094 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.345 -7.769 13.993 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.263 -8.236 12.277 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.219 -6.040 10.061 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.418 -6.840 8.876 1.00 0.00 C ATOM 1682 C ALA A 106 -6.051 -7.196 8.435 1.00 0.00 C ATOM 1683 O ALA A 106 -5.156 -6.354 8.522 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.103 -6.160 7.682 1.00 0.00 C ATOM 0 H ALA A 106 -7.020 -5.054 9.894 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.084 -7.658 9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.190 -6.870 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.096 -5.822 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.509 -5.304 7.361 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.885 -8.458 7.974 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.584 -8.998 7.700 1.00 0.00 C ATOM 1692 C CYS A 107 -4.448 -9.390 6.268 1.00 0.00 C ATOM 1693 O CYS A 107 -5.403 -9.843 5.638 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.257 -10.223 8.572 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.486 -10.310 8.916 1.00 0.00 S ATOM 0 H CYS A 107 -6.654 -9.102 7.792 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.880 -8.201 7.937 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.812 -10.167 9.509 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.579 -11.133 8.065 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.217 -9.230 5.738 1.00 0.00 N ATOM 1701 CA GLU A 108 -2.869 -9.668 4.419 1.00 0.00 C ATOM 1702 C GLU A 108 -1.454 -10.132 4.526 1.00 0.00 C ATOM 1703 O GLU A 108 -0.584 -9.363 4.921 1.00 0.00 O ATOM 1704 CB GLU A 108 -2.932 -8.532 3.375 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.609 -8.959 1.937 1.00 0.00 C ATOM 1706 CD GLU A 108 -2.787 -7.736 1.046 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.063 -6.729 1.268 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -3.651 -7.794 0.131 1.00 0.00 O ATOM 0 H GLU A 108 -2.447 -8.786 6.239 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.567 -10.436 4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.931 -8.096 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.236 -7.747 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.589 -9.338 1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.270 -9.765 1.619 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.206 -11.415 4.171 1.00 0.00 N ATOM 1716 CA ASN A 109 0.080 -12.085 4.086 1.00 0.00 C ATOM 1717 C ASN A 109 0.743 -12.404 5.402 1.00 0.00 C ATOM 1718 O ASN A 109 1.856 -12.928 5.410 1.00 0.00 O ATOM 1719 CB ASN A 109 1.109 -11.519 3.052 1.00 0.00 C ATOM 1720 CG ASN A 109 1.928 -10.288 3.489 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.869 -10.366 4.288 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.579 -9.115 2.879 1.00 0.00 N ATOM 0 H ASN A 109 -1.970 -12.043 3.920 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.250 -13.035 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.806 -12.317 2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.569 -11.262 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 109 2.102 -8.262 3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.796 -9.093 2.226 1.00 0.00 H new ATOM 1729 N GLY A 110 0.081 -12.111 6.544 1.00 0.00 N ATOM 1730 CA GLY A 110 0.654 -12.329 7.843 1.00 0.00 C ATOM 1731 C GLY A 110 1.202 -11.030 8.342 1.00 0.00 C ATOM 1732 O GLY A 110 1.960 -11.002 9.311 1.00 0.00 O ATOM 0 H GLY A 110 -0.861 -11.719 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.100 -12.711 8.531 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.444 -13.078 7.788 1.00 0.00 H new ATOM 1736 N LEU A 111 0.809 -9.923 7.679 1.00 0.00 N ATOM 1737 CA LEU A 111 1.211 -8.596 8.050 1.00 0.00 C ATOM 1738 C LEU A 111 -0.079 -7.854 8.186 1.00 0.00 C ATOM 1739 O LEU A 111 -0.772 -7.768 7.177 1.00 0.00 O ATOM 1740 CB LEU A 111 1.989 -7.863 6.943 1.00 0.00 C ATOM 1741 CG LEU A 111 3.463 -7.576 7.290 1.00 0.00 C ATOM 1742 CD1 LEU A 111 4.287 -8.808 7.610 1.00 0.00 C ATOM 1743 CD2 LEU A 111 4.206 -6.808 6.189 1.00 0.00 C ATOM 0 H LEU A 111 0.196 -9.951 6.864 1.00 0.00 H new ATOM 0 HA LEU A 111 1.847 -8.644 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.952 -8.460 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.488 -6.919 6.726 1.00 0.00 H new ATOM 0 HG LEU A 111 3.375 -6.965 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.310 -8.511 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.855 -9.322 8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.290 -9.477 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.238 -6.639 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.193 -7.390 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.716 -5.849 6.020 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.483 -7.334 9.330 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.788 -6.744 9.443 1.00 0.00 C ATOM 1757 C PRO A 112 -1.739 -5.395 8.803 1.00 0.00 C ATOM 1758 O PRO A 112 -0.943 -4.557 9.208 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.101 -6.694 10.930 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.777 -6.978 11.633 1.00 0.00 C ATOM 1761 CD PRO A 112 0.020 -7.780 10.612 1.00 0.00 C ATOM 0 HA PRO A 112 -2.575 -7.306 8.939 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.496 -5.719 11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.855 -7.434 11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.264 -6.056 11.904 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.927 -7.542 12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.089 -7.592 10.706 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.128 -8.852 10.746 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.589 -5.197 7.780 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.517 -4.060 6.918 1.00 0.00 C ATOM 1771 C VAL A 113 -3.472 -2.986 7.337 1.00 0.00 C ATOM 1772 O VAL A 113 -3.386 -1.873 6.819 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.780 -4.418 5.465 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.651 -5.357 5.005 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.161 -5.082 5.271 1.00 0.00 C ATOM 0 H VAL A 113 -3.344 -5.842 7.547 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.496 -3.688 7.005 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.794 -3.509 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.810 -5.634 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.692 -4.848 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.650 -6.255 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.305 -5.320 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.210 -5.998 5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.943 -4.397 5.598 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.427 -3.287 8.247 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.522 -2.369 8.431 1.00 0.00 C ATOM 1787 C HIS A 114 -6.009 -2.519 9.825 1.00 0.00 C ATOM 1788 O HIS A 114 -5.590 -3.428 10.538 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.664 -2.683 7.436 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.979 -1.970 7.595 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.143 -0.645 7.298 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.192 -2.451 7.969 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.418 -0.330 7.487 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -10.076 -1.408 7.892 1.00 0.00 N ATOM 0 H HIS A 114 -4.446 -4.124 8.830 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.189 -1.347 8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.294 -2.474 6.432 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.861 -3.754 7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.417 -3.464 8.270 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.851 0.648 7.335 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.072 -1.453 8.109 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.895 -1.590 10.239 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.421 -1.568 11.563 1.00 0.00 C ATOM 1805 C LEU A 115 -8.860 -1.212 11.473 1.00 0.00 C ATOM 1806 O LEU A 115 -9.231 -0.285 10.754 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.767 -0.461 12.403 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.669 -0.748 13.922 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.223 -2.128 14.426 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -5.903 0.331 14.680 1.00 0.00 C ATOM 0 H LEU A 115 -7.249 -0.844 9.640 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.242 -2.542 12.019 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.763 -0.283 12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.331 0.461 12.261 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.735 -0.739 14.149 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.217 -2.133 15.516 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.914 -2.889 14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.220 -2.343 14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.867 0.076 15.739 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.888 0.400 14.289 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.406 1.290 14.555 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.701 -1.933 12.239 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.058 -1.537 12.435 1.00 0.00 C ATOM 1824 C ASP A 116 -11.053 -0.548 13.541 1.00 0.00 C ATOM 1825 O ASP A 116 -10.436 -0.759 14.584 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.965 -2.675 12.917 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.431 -3.525 11.744 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -12.024 -3.246 10.586 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.223 -4.470 12.003 1.00 0.00 O ATOM 0 H ASP A 116 -9.438 -2.792 12.722 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.434 -1.171 11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.427 -3.297 13.632 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.828 -2.262 13.439 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.791 0.555 13.315 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.980 1.587 14.288 1.00 0.00 C ATOM 1836 C GLN A 117 -13.422 1.500 14.702 1.00 0.00 C ATOM 1837 O GLN A 117 -14.071 2.532 14.854 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.790 3.004 13.688 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.465 3.266 12.947 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.353 3.654 13.924 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.944 4.819 13.984 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -8.845 2.642 14.682 1.00 0.00 N ATOM 0 H GLN A 117 -12.269 0.734 12.432 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.261 1.449 15.095 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.611 3.194 12.996 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.879 3.731 14.495 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.172 2.374 12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.605 4.062 12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.221 1.698 14.591 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.088 2.828 15.340 1.00 0.00 H new ATOM 1851 N SER A 118 -13.971 0.269 14.867 1.00 0.00 N ATOM 1852 CA SER A 118 -15.366 0.075 15.164 1.00 0.00 C ATOM 1853 C SER A 118 -15.469 -0.153 16.633 1.00 0.00 C ATOM 1854 O SER A 118 -16.468 0.188 17.266 1.00 0.00 O ATOM 1855 CB SER A 118 -16.004 -1.111 14.417 1.00 0.00 C ATOM 1856 OG SER A 118 -15.299 -2.317 14.672 1.00 0.00 O ATOM 0 H SER A 118 -13.439 -0.598 14.793 1.00 0.00 H new ATOM 0 HA SER A 118 -15.911 0.959 14.834 1.00 0.00 H new ATOM 0 HB2 SER A 118 -17.043 -1.222 14.726 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.009 -0.909 13.346 1.00 0.00 H new ATOM 0 HG SER A 118 -15.726 -3.054 14.187 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.385 -0.731 17.192 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.188 -0.890 18.600 1.00 0.00 C ATOM 1864 C ILE A 119 -13.770 0.399 19.173 1.00 0.00 C ATOM 1865 O ILE A 119 -14.067 0.718 20.323 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.069 -1.824 18.993 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.958 -2.066 17.937 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.712 -3.080 19.554 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.256 -3.103 16.849 1.00 0.00 C ATOM 0 H ILE A 119 -13.615 -1.102 16.636 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.139 -1.285 18.958 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.467 -1.335 19.759 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.739 -1.116 17.450 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.052 -2.373 18.460 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.935 -3.785 19.851 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.319 -2.822 20.422 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.344 -3.537 18.792 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.403 -3.179 16.175 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.440 -4.073 17.311 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.137 -2.796 16.286 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.020 1.155 18.355 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.361 2.339 18.774 1.00 0.00 C ATOM 1883 C PHE A 120 -13.143 3.475 18.212 1.00 0.00 C ATOM 1884 O PHE A 120 -12.587 4.393 17.614 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.928 2.374 18.236 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.183 1.111 18.573 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.282 0.460 19.798 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.349 0.565 17.613 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.496 -0.641 20.068 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.601 -0.563 17.865 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.656 -1.156 19.107 1.00 0.00 C ATOM 0 H PHE A 120 -12.871 0.931 17.371 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.304 2.391 19.861 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.947 2.509 17.155 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.401 3.231 18.655 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.978 0.818 20.542 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.283 1.035 16.643 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.540 -1.103 21.043 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.974 -0.981 17.092 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.044 -2.019 19.325 1.00 0.00 H new