USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 594 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 54 GLN : amide:sc= -2.17 K(o=-2.2,f=-4.6!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= -0.281 USER MOD Set 2.2: A 50 GLN :FLIP amide:sc= 0.0566 F(o=-1.4,f=-0.22) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0265 K(o=-0.026,f=-5.1!) USER MOD Single : A 9 GLN : amide:sc= -4.52! C(o=-4.5!,f=-10!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 140:sc= -0.599 (180deg=-3.6!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.726 F(o=-1.5,f=-0.73) USER MOD Single : A 25 LYS NZ :NH3+ 143:sc= -0.128 (180deg=-0.938) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.621 USER MOD Single : A 37 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.51) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.368) USER MOD Single : A 45 ASN : amide:sc= 0.426 K(o=0.43,f=-3.4!) USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= -0.3 (180deg=-1.22!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0171 (180deg=-0.175) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0129 (180deg=-0.224) USER MOD Single : A 70 SER OG : rot 180:sc= -0.105 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 74 SER OG : rot 180:sc= -0.148 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.160 -12.424 11.269 1.00 0.00 N ATOM 2 CA GLY A 1 14.183 -11.395 11.276 1.00 0.00 C ATOM 3 C GLY A 1 13.739 -10.132 10.566 1.00 0.00 C ATOM 4 O GLY A 1 13.740 -10.069 9.337 1.00 0.00 O ATOM 0 H1 GLY A 1 13.512 -13.267 11.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.308 -12.070 11.749 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.926 -12.674 10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.446 -11.156 12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.084 -11.779 10.798 1.00 0.00 H new ATOM 8 N SER A 2 13.356 -9.123 11.342 1.00 0.00 N ATOM 9 CA SER A 2 12.902 -7.856 10.780 1.00 0.00 C ATOM 10 C SER A 2 13.919 -6.749 11.043 1.00 0.00 C ATOM 11 O SER A 2 14.281 -6.483 12.189 1.00 0.00 O ATOM 12 CB SER A 2 11.545 -7.468 11.373 1.00 0.00 C ATOM 13 OG SER A 2 10.505 -8.259 10.824 1.00 0.00 O ATOM 0 H SER A 2 13.351 -9.158 12.361 1.00 0.00 H new ATOM 0 HA SER A 2 12.798 -7.982 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.568 -7.593 12.456 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.347 -6.414 11.178 1.00 0.00 H new ATOM 0 HG SER A 2 9.649 -7.994 11.220 1.00 0.00 H new ATOM 19 N SER A 3 14.376 -6.109 9.972 1.00 0.00 N ATOM 20 CA SER A 3 15.355 -5.033 10.084 1.00 0.00 C ATOM 21 C SER A 3 14.721 -3.686 9.754 1.00 0.00 C ATOM 22 O SER A 3 13.625 -3.622 9.200 1.00 0.00 O ATOM 23 CB SER A 3 16.540 -5.295 9.153 1.00 0.00 C ATOM 24 OG SER A 3 16.126 -5.335 7.799 1.00 0.00 O ATOM 0 H SER A 3 14.085 -6.316 9.017 1.00 0.00 H new ATOM 0 HA SER A 3 15.711 -5.004 11.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.289 -4.514 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.014 -6.240 9.420 1.00 0.00 H new ATOM 0 HG SER A 3 16.902 -5.502 7.224 1.00 0.00 H new ATOM 30 N GLY A 4 15.421 -2.609 10.098 1.00 0.00 N ATOM 31 CA GLY A 4 14.913 -1.276 9.831 1.00 0.00 C ATOM 32 C GLY A 4 15.165 -0.835 8.403 1.00 0.00 C ATOM 33 O GLY A 4 16.311 -0.773 7.958 1.00 0.00 O ATOM 0 H GLY A 4 16.331 -2.636 10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.842 -1.252 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.382 -0.568 10.515 1.00 0.00 H new ATOM 37 N SER A 5 14.091 -0.530 7.681 1.00 0.00 N ATOM 38 CA SER A 5 14.202 -0.097 6.292 1.00 0.00 C ATOM 39 C SER A 5 14.227 1.425 6.198 1.00 0.00 C ATOM 40 O SER A 5 15.196 2.012 5.717 1.00 0.00 O ATOM 41 CB SER A 5 13.036 -0.651 5.470 1.00 0.00 C ATOM 42 OG SER A 5 13.221 -0.396 4.088 1.00 0.00 O ATOM 0 H SER A 5 13.135 -0.575 8.034 1.00 0.00 H new ATOM 0 HA SER A 5 15.138 -0.484 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.947 -1.725 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.103 -0.198 5.805 1.00 0.00 H new ATOM 0 HG SER A 5 12.464 -0.761 3.584 1.00 0.00 H new ATOM 48 N SER A 6 13.154 2.059 6.661 1.00 0.00 N ATOM 49 CA SER A 6 13.051 3.513 6.626 1.00 0.00 C ATOM 50 C SER A 6 12.911 4.082 8.035 1.00 0.00 C ATOM 51 O SER A 6 12.309 3.461 8.910 1.00 0.00 O ATOM 52 CB SER A 6 11.857 3.940 5.770 1.00 0.00 C ATOM 53 OG SER A 6 11.835 5.345 5.591 1.00 0.00 O ATOM 0 H SER A 6 12.344 1.588 7.065 1.00 0.00 H new ATOM 0 HA SER A 6 13.966 3.907 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.907 3.447 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.931 3.616 6.245 1.00 0.00 H new ATOM 0 HG SER A 6 11.064 5.592 5.039 1.00 0.00 H new ATOM 59 N GLY A 7 13.472 5.268 8.246 1.00 0.00 N ATOM 60 CA GLY A 7 13.399 5.902 9.549 1.00 0.00 C ATOM 61 C GLY A 7 12.015 6.438 9.857 1.00 0.00 C ATOM 62 O GLY A 7 11.477 6.203 10.937 1.00 0.00 O ATOM 0 H GLY A 7 13.976 5.801 7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.685 5.183 10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.120 6.719 9.593 1.00 0.00 H new ATOM 66 N ASN A 8 11.438 7.164 8.904 1.00 0.00 N ATOM 67 CA ASN A 8 10.108 7.737 9.080 1.00 0.00 C ATOM 68 C ASN A 8 9.129 6.691 9.604 1.00 0.00 C ATOM 69 O ASN A 8 9.253 5.505 9.300 1.00 0.00 O ATOM 70 CB ASN A 8 9.599 8.311 7.756 1.00 0.00 C ATOM 71 CG ASN A 8 8.497 9.334 7.955 1.00 0.00 C ATOM 72 OD1 ASN A 8 8.099 9.621 9.084 1.00 0.00 O ATOM 73 ND2 ASN A 8 7.999 9.889 6.856 1.00 0.00 N ATOM 0 H ASN A 8 11.870 7.369 8.003 1.00 0.00 H new ATOM 0 HA ASN A 8 10.180 8.540 9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.428 8.774 7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.229 7.499 7.130 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.256 10.584 6.927 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.360 9.620 5.941 1.00 0.00 H new ATOM 80 N GLN A 9 8.157 7.140 10.391 1.00 0.00 N ATOM 81 CA GLN A 9 7.158 6.242 10.957 1.00 0.00 C ATOM 82 C GLN A 9 6.704 5.213 9.926 1.00 0.00 C ATOM 83 O GLN A 9 6.619 5.509 8.734 1.00 0.00 O ATOM 84 CB GLN A 9 5.954 7.039 11.463 1.00 0.00 C ATOM 85 CG GLN A 9 5.266 7.855 10.380 1.00 0.00 C ATOM 86 CD GLN A 9 4.466 6.995 9.421 1.00 0.00 C ATOM 87 OE1 GLN A 9 3.623 6.200 9.837 1.00 0.00 O ATOM 88 NE2 GLN A 9 4.728 7.150 8.129 1.00 0.00 N ATOM 0 H GLN A 9 8.040 8.119 10.651 1.00 0.00 H new ATOM 0 HA GLN A 9 7.614 5.714 11.794 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.232 6.351 11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.280 7.709 12.259 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.604 8.585 10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.016 8.415 9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.435 7.821 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.222 6.598 7.436 1.00 0.00 H new ATOM 97 N LEU A 10 6.415 4.003 10.393 1.00 0.00 N ATOM 98 CA LEU A 10 5.970 2.929 9.512 1.00 0.00 C ATOM 99 C LEU A 10 4.477 2.669 9.681 1.00 0.00 C ATOM 100 O LEU A 10 3.885 3.031 10.698 1.00 0.00 O ATOM 101 CB LEU A 10 6.758 1.650 9.797 1.00 0.00 C ATOM 102 CG LEU A 10 8.094 1.507 9.066 1.00 0.00 C ATOM 103 CD1 LEU A 10 9.062 0.665 9.883 1.00 0.00 C ATOM 104 CD2 LEU A 10 7.886 0.898 7.688 1.00 0.00 C ATOM 0 H LEU A 10 6.481 3.741 11.377 1.00 0.00 H new ATOM 0 HA LEU A 10 6.151 3.238 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.946 1.594 10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.132 0.796 9.538 1.00 0.00 H new ATOM 0 HG LEU A 10 8.525 2.500 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.007 0.574 9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.236 1.143 10.847 1.00 0.00 H new ATOM 0 HD13 LEU A 10 8.638 -0.327 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.847 0.804 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.432 -0.088 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.229 1.541 7.102 1.00 0.00 H new ATOM 116 N TRP A 11 3.875 2.038 8.680 1.00 0.00 N ATOM 117 CA TRP A 11 2.450 1.727 8.719 1.00 0.00 C ATOM 118 C TRP A 11 2.106 0.906 9.957 1.00 0.00 C ATOM 119 O TRP A 11 2.759 -0.096 10.252 1.00 0.00 O ATOM 120 CB TRP A 11 2.038 0.967 7.457 1.00 0.00 C ATOM 121 CG TRP A 11 2.008 1.826 6.230 1.00 0.00 C ATOM 122 CD1 TRP A 11 3.045 2.542 5.705 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.883 2.059 5.375 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.633 3.208 4.575 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.311 2.927 4.351 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.443 1.619 5.373 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.460 3.361 3.339 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.287 2.051 4.368 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.834 2.914 3.362 1.00 0.00 C ATOM 0 H TRP A 11 4.351 1.731 7.831 1.00 0.00 H new ATOM 0 HA TRP A 11 1.899 2.667 8.765 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.731 0.141 7.297 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.051 0.530 7.610 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.043 2.580 6.117 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.217 3.813 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.802 0.953 6.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.808 4.027 2.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.314 1.717 4.358 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.518 3.233 2.590 1.00 0.00 H new ATOM 140 N THR A 12 1.077 1.336 10.680 1.00 0.00 N ATOM 141 CA THR A 12 0.647 0.642 11.887 1.00 0.00 C ATOM 142 C THR A 12 -0.162 -0.604 11.546 1.00 0.00 C ATOM 143 O THR A 12 -0.607 -0.776 10.411 1.00 0.00 O ATOM 144 CB THR A 12 -0.198 1.558 12.792 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.534 0.874 14.005 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.471 1.995 12.082 1.00 0.00 C ATOM 0 H THR A 12 0.525 2.163 10.450 1.00 0.00 H new ATOM 0 HA THR A 12 1.551 0.350 12.422 1.00 0.00 H new ATOM 0 HB THR A 12 0.392 2.444 13.026 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.070 1.464 14.576 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.051 2.641 12.741 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.212 2.540 11.174 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.062 1.117 11.822 1.00 0.00 H new ATOM 154 N VAL A 13 -0.351 -1.471 12.536 1.00 0.00 N ATOM 155 CA VAL A 13 -1.109 -2.701 12.340 1.00 0.00 C ATOM 156 C VAL A 13 -2.533 -2.402 11.886 1.00 0.00 C ATOM 157 O VAL A 13 -3.094 -3.119 11.058 1.00 0.00 O ATOM 158 CB VAL A 13 -1.159 -3.541 13.630 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.761 -2.733 14.770 1.00 0.00 C ATOM 160 CG2 VAL A 13 -1.945 -4.823 13.401 1.00 0.00 C ATOM 0 H VAL A 13 0.010 -1.344 13.481 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.595 -3.269 11.565 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.140 -3.812 13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.788 -3.343 15.673 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.152 -1.847 14.949 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.774 -2.430 14.506 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.970 -5.404 14.323 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.963 -4.577 13.100 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.466 -5.408 12.616 1.00 0.00 H new ATOM 170 N GLU A 14 -3.112 -1.338 12.433 1.00 0.00 N ATOM 171 CA GLU A 14 -4.472 -0.945 12.084 1.00 0.00 C ATOM 172 C GLU A 14 -4.565 -0.559 10.611 1.00 0.00 C ATOM 173 O GLU A 14 -5.540 -0.883 9.934 1.00 0.00 O ATOM 174 CB GLU A 14 -4.930 0.224 12.959 1.00 0.00 C ATOM 175 CG GLU A 14 -5.108 -0.145 14.422 1.00 0.00 C ATOM 176 CD GLU A 14 -5.815 0.937 15.215 1.00 0.00 C ATOM 177 OE1 GLU A 14 -5.265 2.055 15.313 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.916 0.667 15.737 1.00 0.00 O ATOM 0 H GLU A 14 -2.661 -0.733 13.119 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.126 -1.799 12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.202 1.031 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.874 0.608 12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.677 -1.072 14.492 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.131 -0.336 14.866 1.00 0.00 H new ATOM 185 N GLU A 15 -3.543 0.137 10.122 1.00 0.00 N ATOM 186 CA GLU A 15 -3.511 0.570 8.730 1.00 0.00 C ATOM 187 C GLU A 15 -3.178 -0.598 7.805 1.00 0.00 C ATOM 188 O GLU A 15 -3.868 -0.832 6.813 1.00 0.00 O ATOM 189 CB GLU A 15 -2.485 1.689 8.544 1.00 0.00 C ATOM 190 CG GLU A 15 -2.916 3.016 9.145 1.00 0.00 C ATOM 191 CD GLU A 15 -1.743 3.925 9.457 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.971 4.236 8.525 1.00 0.00 O ATOM 193 OE2 GLU A 15 -1.596 4.324 10.631 1.00 0.00 O ATOM 0 H GLU A 15 -2.727 0.413 10.669 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.500 0.947 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.541 1.384 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.298 1.826 7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.589 3.522 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.480 2.830 10.059 1.00 0.00 H new ATOM 200 N GLN A 16 -2.118 -1.326 8.139 1.00 0.00 N ATOM 201 CA GLN A 16 -1.693 -2.468 7.338 1.00 0.00 C ATOM 202 C GLN A 16 -2.876 -3.373 7.011 1.00 0.00 C ATOM 203 O GLN A 16 -3.076 -3.759 5.859 1.00 0.00 O ATOM 204 CB GLN A 16 -0.616 -3.264 8.078 1.00 0.00 C ATOM 205 CG GLN A 16 0.795 -2.759 7.825 1.00 0.00 C ATOM 206 CD GLN A 16 1.851 -3.805 8.125 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.636 -4.708 8.934 1.00 0.00 O ATOM 208 NE2 GLN A 16 3.002 -3.688 7.472 1.00 0.00 N ATOM 0 H GLN A 16 -1.538 -1.146 8.958 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.278 -2.091 6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.820 -3.227 9.148 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.678 -4.310 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.884 -2.446 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.977 -1.877 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.137 -2.924 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.750 -4.362 7.633 1.00 0.00 H new ATOM 217 N LYS A 17 -3.658 -3.709 8.031 1.00 0.00 N ATOM 218 CA LYS A 17 -4.823 -4.568 7.853 1.00 0.00 C ATOM 219 C LYS A 17 -5.900 -3.862 7.035 1.00 0.00 C ATOM 220 O LYS A 17 -6.421 -4.415 6.067 1.00 0.00 O ATOM 221 CB LYS A 17 -5.390 -4.983 9.212 1.00 0.00 C ATOM 222 CG LYS A 17 -5.796 -3.808 10.085 1.00 0.00 C ATOM 223 CD LYS A 17 -5.955 -4.223 11.539 1.00 0.00 C ATOM 224 CE LYS A 17 -6.994 -3.370 12.251 1.00 0.00 C ATOM 225 NZ LYS A 17 -8.359 -3.956 12.146 1.00 0.00 N ATOM 0 H LYS A 17 -3.506 -3.399 8.991 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.506 -5.459 7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.257 -5.625 9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.645 -5.578 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.045 -3.021 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.734 -3.389 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.247 -5.272 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.997 -4.134 12.051 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.722 -3.268 13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.995 -2.367 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.038 -3.345 12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.629 -4.030 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.364 -4.903 12.577 1.00 0.00 H new ATOM 239 N LYS A 18 -6.227 -2.637 7.430 1.00 0.00 N ATOM 240 CA LYS A 18 -7.240 -1.853 6.733 1.00 0.00 C ATOM 241 C LYS A 18 -6.917 -1.745 5.246 1.00 0.00 C ATOM 242 O LYS A 18 -7.666 -2.234 4.400 1.00 0.00 O ATOM 243 CB LYS A 18 -7.343 -0.454 7.346 1.00 0.00 C ATOM 244 CG LYS A 18 -8.732 0.154 7.244 1.00 0.00 C ATOM 245 CD LYS A 18 -8.980 1.166 8.349 1.00 0.00 C ATOM 246 CE LYS A 18 -8.565 2.567 7.925 1.00 0.00 C ATOM 247 NZ LYS A 18 -9.685 3.305 7.278 1.00 0.00 N ATOM 0 H LYS A 18 -5.805 -2.165 8.230 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.197 -2.363 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.054 -0.504 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.630 0.204 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.848 0.637 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.481 -0.636 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.037 1.163 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.425 0.875 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.219 3.123 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.725 2.503 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.677 4.296 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.572 3.271 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.589 2.865 7.542 1.00 0.00 H new ATOM 261 N LEU A 19 -5.796 -1.103 4.934 1.00 0.00 N ATOM 262 CA LEU A 19 -5.372 -0.933 3.549 1.00 0.00 C ATOM 263 C LEU A 19 -5.730 -2.159 2.715 1.00 0.00 C ATOM 264 O LEU A 19 -6.379 -2.046 1.676 1.00 0.00 O ATOM 265 CB LEU A 19 -3.865 -0.680 3.483 1.00 0.00 C ATOM 266 CG LEU A 19 -3.223 -0.804 2.101 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.735 0.288 1.175 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.706 -0.745 2.210 1.00 0.00 C ATOM 0 H LEU A 19 -5.165 -0.692 5.622 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.897 -0.071 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.668 0.322 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.370 -1.380 4.156 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.500 -1.770 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.267 0.184 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.816 0.200 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.489 1.264 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.266 -0.835 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.410 0.206 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.354 -1.564 2.838 1.00 0.00 H new ATOM 280 N GLU A 20 -5.304 -3.329 3.180 1.00 0.00 N ATOM 281 CA GLU A 20 -5.582 -4.576 2.477 1.00 0.00 C ATOM 282 C GLU A 20 -7.049 -4.654 2.065 1.00 0.00 C ATOM 283 O GLU A 20 -7.365 -4.910 0.904 1.00 0.00 O ATOM 284 CB GLU A 20 -5.224 -5.775 3.358 1.00 0.00 C ATOM 285 CG GLU A 20 -3.732 -5.931 3.597 1.00 0.00 C ATOM 286 CD GLU A 20 -3.403 -7.122 4.475 1.00 0.00 C ATOM 287 OE1 GLU A 20 -4.067 -8.170 4.326 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.483 -7.008 5.312 1.00 0.00 O ATOM 0 H GLU A 20 -4.766 -3.440 4.039 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.968 -4.599 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.728 -5.673 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.606 -6.684 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.224 -6.039 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.346 -5.024 4.062 1.00 0.00 H new ATOM 295 N GLN A 21 -7.940 -4.432 3.026 1.00 0.00 N ATOM 296 CA GLN A 21 -9.374 -4.478 2.764 1.00 0.00 C ATOM 297 C GLN A 21 -9.772 -3.427 1.733 1.00 0.00 C ATOM 298 O GLN A 21 -10.572 -3.695 0.835 1.00 0.00 O ATOM 299 CB GLN A 21 -10.158 -4.262 4.060 1.00 0.00 C ATOM 300 CG GLN A 21 -10.417 -5.543 4.835 1.00 0.00 C ATOM 301 CD GLN A 21 -9.203 -6.450 4.887 1.00 0.00 C ATOM 302 OE1 GLN A 21 -8.304 -6.183 5.827 1.00 0.00 O flip ATOM 303 NE2 GLN A 21 -9.074 -7.380 4.090 1.00 0.00 N flip ATOM 0 H GLN A 21 -7.694 -4.219 3.993 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.614 -5.463 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.609 -3.567 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.112 -3.791 3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.723 -5.293 5.851 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.247 -6.080 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.790 -7.549 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.251 -7.981 4.137 1.00 0.00 H new ATOM 312 N LEU A 22 -9.211 -2.230 1.868 1.00 0.00 N ATOM 313 CA LEU A 22 -9.508 -1.138 0.948 1.00 0.00 C ATOM 314 C LEU A 22 -9.110 -1.504 -0.479 1.00 0.00 C ATOM 315 O LEU A 22 -9.938 -1.482 -1.390 1.00 0.00 O ATOM 316 CB LEU A 22 -8.778 0.134 1.383 1.00 0.00 C ATOM 317 CG LEU A 22 -9.132 0.670 2.770 1.00 0.00 C ATOM 318 CD1 LEU A 22 -7.962 1.442 3.359 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.373 1.549 2.702 1.00 0.00 C ATOM 0 H LEU A 22 -8.548 -1.991 2.606 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.583 -0.959 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.706 -0.058 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.983 0.915 0.651 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.346 -0.177 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.233 1.816 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.098 0.783 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.715 2.281 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.610 1.922 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.187 2.391 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.212 0.965 2.324 1.00 0.00 H new ATOM 331 N LEU A 23 -7.839 -1.841 -0.664 1.00 0.00 N ATOM 332 CA LEU A 23 -7.331 -2.215 -1.980 1.00 0.00 C ATOM 333 C LEU A 23 -8.393 -2.960 -2.782 1.00 0.00 C ATOM 334 O LEU A 23 -8.708 -2.585 -3.912 1.00 0.00 O ATOM 335 CB LEU A 23 -6.080 -3.083 -1.837 1.00 0.00 C ATOM 336 CG LEU A 23 -4.782 -2.343 -1.515 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.753 -3.299 -0.931 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.233 -1.661 -2.759 1.00 0.00 C ATOM 0 H LEU A 23 -7.141 -1.863 0.080 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.072 -1.302 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.260 -3.818 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.938 -3.636 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.999 -1.576 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.836 -2.754 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.145 -3.740 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.540 -4.089 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.309 -1.139 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.032 -2.409 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.964 -0.945 -3.134 1.00 0.00 H new ATOM 350 N ILE A 24 -8.942 -4.016 -2.190 1.00 0.00 N ATOM 351 CA ILE A 24 -9.970 -4.811 -2.849 1.00 0.00 C ATOM 352 C ILE A 24 -11.247 -4.002 -3.048 1.00 0.00 C ATOM 353 O ILE A 24 -11.822 -3.986 -4.136 1.00 0.00 O ATOM 354 CB ILE A 24 -10.301 -6.082 -2.044 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.045 -6.935 -1.857 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.393 -6.881 -2.740 1.00 0.00 C ATOM 357 CD1 ILE A 24 -9.056 -7.756 -0.587 1.00 0.00 C ATOM 0 H ILE A 24 -8.692 -4.340 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.571 -5.100 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.666 -5.787 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.939 -7.604 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.171 -6.284 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.616 -7.776 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.292 -6.271 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.055 -7.169 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.135 -8.335 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.130 -7.092 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.910 -8.433 -0.599 1.00 0.00 H new ATOM 369 N LYS A 25 -11.686 -3.329 -1.990 1.00 0.00 N ATOM 370 CA LYS A 25 -12.893 -2.514 -2.047 1.00 0.00 C ATOM 371 C LYS A 25 -12.904 -1.645 -3.301 1.00 0.00 C ATOM 372 O LYS A 25 -13.846 -1.695 -4.094 1.00 0.00 O ATOM 373 CB LYS A 25 -12.997 -1.630 -0.802 1.00 0.00 C ATOM 374 CG LYS A 25 -14.088 -0.578 -0.891 1.00 0.00 C ATOM 375 CD LYS A 25 -13.820 0.585 0.049 1.00 0.00 C ATOM 376 CE LYS A 25 -14.443 0.351 1.416 1.00 0.00 C ATOM 377 NZ LYS A 25 -14.022 1.385 2.402 1.00 0.00 N ATOM 0 H LYS A 25 -11.223 -3.332 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.752 -3.185 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.183 -2.261 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.040 -1.135 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.158 -0.211 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.050 -1.029 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.745 0.726 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.220 1.503 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.529 0.356 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.158 -0.636 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.820 1.612 3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.229 1.022 2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.723 2.244 1.898 1.00 0.00 H new ATOM 391 N TYR A 26 -11.853 -0.852 -3.476 1.00 0.00 N ATOM 392 CA TYR A 26 -11.743 0.027 -4.633 1.00 0.00 C ATOM 393 C TYR A 26 -11.102 -0.700 -5.811 1.00 0.00 C ATOM 394 O TYR A 26 -9.984 -1.210 -5.725 1.00 0.00 O ATOM 395 CB TYR A 26 -10.924 1.270 -4.280 1.00 0.00 C ATOM 396 CG TYR A 26 -11.655 2.241 -3.380 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.526 3.186 -3.907 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.473 2.213 -2.002 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.195 4.076 -3.088 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.139 3.097 -1.176 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.999 4.027 -1.724 1.00 0.00 C ATOM 402 OH TYR A 26 -13.663 4.910 -0.904 1.00 0.00 O ATOM 0 H TYR A 26 -11.065 -0.800 -2.831 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.749 0.332 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.000 0.960 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.642 1.782 -5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.683 3.226 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.799 1.488 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.868 4.806 -3.514 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.988 3.061 -0.107 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.414 4.741 0.029 1.00 0.00 H new ATOM 412 N PRO A 27 -11.825 -0.749 -6.940 1.00 0.00 N ATOM 413 CA PRO A 27 -11.347 -1.410 -8.158 1.00 0.00 C ATOM 414 C PRO A 27 -10.195 -0.656 -8.813 1.00 0.00 C ATOM 415 O PRO A 27 -10.075 0.564 -8.698 1.00 0.00 O ATOM 416 CB PRO A 27 -12.577 -1.404 -9.070 1.00 0.00 C ATOM 417 CG PRO A 27 -13.394 -0.252 -8.597 1.00 0.00 C ATOM 418 CD PRO A 27 -13.164 -0.162 -7.114 1.00 0.00 C ATOM 0 HA PRO A 27 -10.955 -2.406 -7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.294 -1.285 -10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.131 -2.340 -8.994 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.094 0.670 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.450 -0.405 -8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.199 0.870 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.920 -0.714 -6.556 1.00 0.00 H new ATOM 426 N PRO A 28 -9.326 -1.396 -9.517 1.00 0.00 N ATOM 427 CA PRO A 28 -8.168 -0.818 -10.205 1.00 0.00 C ATOM 428 C PRO A 28 -8.572 0.028 -11.407 1.00 0.00 C ATOM 429 O PRO A 28 -9.684 -0.095 -11.919 1.00 0.00 O ATOM 430 CB PRO A 28 -7.374 -2.046 -10.657 1.00 0.00 C ATOM 431 CG PRO A 28 -8.387 -3.133 -10.765 1.00 0.00 C ATOM 432 CD PRO A 28 -9.407 -2.856 -9.695 1.00 0.00 C ATOM 0 HA PRO A 28 -7.605 -0.144 -9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.880 -1.869 -11.612 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.595 -2.301 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.849 -3.139 -11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.927 -4.111 -10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.405 -3.169 -10.001 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.175 -3.387 -8.772 1.00 0.00 H new ATOM 440 N GLU A 29 -7.660 0.887 -11.854 1.00 0.00 N ATOM 441 CA GLU A 29 -7.923 1.753 -12.997 1.00 0.00 C ATOM 442 C GLU A 29 -6.623 2.317 -13.563 1.00 0.00 C ATOM 443 O GLU A 29 -5.603 2.362 -12.875 1.00 0.00 O ATOM 444 CB GLU A 29 -8.855 2.898 -12.594 1.00 0.00 C ATOM 445 CG GLU A 29 -8.340 3.718 -11.423 1.00 0.00 C ATOM 446 CD GLU A 29 -9.458 4.344 -10.613 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.561 4.531 -11.170 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.232 4.647 -9.423 1.00 0.00 O ATOM 0 H GLU A 29 -6.734 1.001 -11.442 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.406 1.155 -13.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.001 3.556 -13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.832 2.487 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.739 3.081 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.683 4.503 -11.796 1.00 0.00 H new ATOM 455 N GLU A 30 -6.668 2.744 -14.821 1.00 0.00 N ATOM 456 CA GLU A 30 -5.493 3.303 -15.479 1.00 0.00 C ATOM 457 C GLU A 30 -4.789 4.311 -14.574 1.00 0.00 C ATOM 458 O GLU A 30 -3.574 4.252 -14.389 1.00 0.00 O ATOM 459 CB GLU A 30 -5.890 3.975 -16.796 1.00 0.00 C ATOM 460 CG GLU A 30 -4.714 4.247 -17.719 1.00 0.00 C ATOM 461 CD GLU A 30 -4.220 2.996 -18.419 1.00 0.00 C ATOM 462 OE1 GLU A 30 -4.172 1.932 -17.766 1.00 0.00 O ATOM 463 OE2 GLU A 30 -3.881 3.080 -19.617 1.00 0.00 O ATOM 0 H GLU A 30 -7.504 2.714 -15.404 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.803 2.486 -15.689 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.609 3.342 -17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.394 4.916 -16.576 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.006 4.985 -18.466 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.898 4.683 -17.143 1.00 0.00 H new ATOM 470 N VAL A 31 -5.563 5.235 -14.014 1.00 0.00 N ATOM 471 CA VAL A 31 -5.015 6.255 -13.127 1.00 0.00 C ATOM 472 C VAL A 31 -4.998 5.774 -11.681 1.00 0.00 C ATOM 473 O VAL A 31 -6.036 5.720 -11.022 1.00 0.00 O ATOM 474 CB VAL A 31 -5.823 7.564 -13.212 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.208 8.629 -12.317 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.904 8.048 -14.652 1.00 0.00 C ATOM 0 H VAL A 31 -6.571 5.299 -14.158 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.993 6.445 -13.455 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.836 7.369 -12.861 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.792 9.547 -12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.207 8.280 -11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.184 8.824 -12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.478 8.974 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.899 8.228 -15.033 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.393 7.290 -15.264 1.00 0.00 H new ATOM 486 N GLU A 32 -3.811 5.427 -11.193 1.00 0.00 N ATOM 487 CA GLU A 32 -3.659 4.950 -9.823 1.00 0.00 C ATOM 488 C GLU A 32 -3.648 6.116 -8.839 1.00 0.00 C ATOM 489 O GLU A 32 -4.086 5.982 -7.697 1.00 0.00 O ATOM 490 CB GLU A 32 -2.369 4.138 -9.683 1.00 0.00 C ATOM 491 CG GLU A 32 -1.108 4.956 -9.901 1.00 0.00 C ATOM 492 CD GLU A 32 -0.664 4.969 -11.351 1.00 0.00 C ATOM 493 OE1 GLU A 32 -1.496 4.655 -12.228 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.515 5.292 -11.608 1.00 0.00 O ATOM 0 H GLU A 32 -2.942 5.467 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.510 4.310 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.336 3.693 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.387 3.316 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.282 5.980 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.306 4.552 -9.283 1.00 0.00 H new ATOM 501 N SER A 33 -3.144 7.260 -9.292 1.00 0.00 N ATOM 502 CA SER A 33 -3.071 8.449 -8.451 1.00 0.00 C ATOM 503 C SER A 33 -4.428 8.756 -7.826 1.00 0.00 C ATOM 504 O SER A 33 -4.520 9.078 -6.641 1.00 0.00 O ATOM 505 CB SER A 33 -2.591 9.649 -9.269 1.00 0.00 C ATOM 506 OG SER A 33 -3.299 9.750 -10.492 1.00 0.00 O ATOM 0 H SER A 33 -2.780 7.388 -10.236 1.00 0.00 H new ATOM 0 HA SER A 33 -2.357 8.255 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.725 10.564 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.524 9.552 -9.470 1.00 0.00 H new ATOM 0 HG SER A 33 -2.974 10.526 -10.995 1.00 0.00 H new ATOM 512 N ARG A 34 -5.481 8.653 -8.631 1.00 0.00 N ATOM 513 CA ARG A 34 -6.834 8.920 -8.158 1.00 0.00 C ATOM 514 C ARG A 34 -7.340 7.777 -7.283 1.00 0.00 C ATOM 515 O ARG A 34 -8.092 7.996 -6.333 1.00 0.00 O ATOM 516 CB ARG A 34 -7.779 9.127 -9.343 1.00 0.00 C ATOM 517 CG ARG A 34 -8.198 7.833 -10.021 1.00 0.00 C ATOM 518 CD ARG A 34 -9.353 8.057 -10.985 1.00 0.00 C ATOM 519 NE ARG A 34 -10.492 8.698 -10.334 1.00 0.00 N ATOM 520 CZ ARG A 34 -11.561 9.138 -10.989 1.00 0.00 C ATOM 521 NH1 ARG A 34 -11.635 9.008 -12.306 1.00 0.00 N ATOM 522 NH2 ARG A 34 -12.558 9.710 -10.326 1.00 0.00 N ATOM 0 H ARG A 34 -5.423 8.387 -9.614 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.810 9.830 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.670 9.652 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.293 9.771 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.349 7.412 -10.560 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.489 7.103 -9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.016 8.675 -11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.666 7.101 -11.404 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.466 8.814 -9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.870 8.569 -12.819 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.457 9.347 -12.807 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.504 9.812 -9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.378 10.047 -10.830 1.00 0.00 H new ATOM 536 N ARG A 35 -6.922 6.559 -7.611 1.00 0.00 N ATOM 537 CA ARG A 35 -7.335 5.382 -6.856 1.00 0.00 C ATOM 538 C ARG A 35 -6.853 5.466 -5.411 1.00 0.00 C ATOM 539 O ARG A 35 -7.622 5.245 -4.476 1.00 0.00 O ATOM 540 CB ARG A 35 -6.790 4.112 -7.514 1.00 0.00 C ATOM 541 CG ARG A 35 -7.051 2.849 -6.708 1.00 0.00 C ATOM 542 CD ARG A 35 -6.225 1.681 -7.222 1.00 0.00 C ATOM 543 NE ARG A 35 -6.242 0.550 -6.298 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.855 -0.677 -6.630 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.424 -0.930 -7.858 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.899 -1.653 -5.732 1.00 0.00 N ATOM 0 H ARG A 35 -6.298 6.361 -8.394 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.424 5.345 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.239 4.003 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.716 4.222 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.815 3.030 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.110 2.597 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.610 1.363 -8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.196 2.006 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.569 0.711 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.389 -0.182 -8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.127 -1.873 -8.110 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.230 -1.461 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.602 -2.595 -5.987 1.00 0.00 H new ATOM 560 N TRP A 36 -5.575 5.786 -5.237 1.00 0.00 N ATOM 561 CA TRP A 36 -4.991 5.898 -3.905 1.00 0.00 C ATOM 562 C TRP A 36 -5.709 6.962 -3.084 1.00 0.00 C ATOM 563 O TRP A 36 -6.042 6.740 -1.920 1.00 0.00 O ATOM 564 CB TRP A 36 -3.502 6.234 -4.007 1.00 0.00 C ATOM 565 CG TRP A 36 -2.779 5.423 -5.039 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.918 5.888 -5.992 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.856 4.005 -5.223 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.455 4.844 -6.757 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.015 3.679 -6.305 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.552 2.979 -4.578 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.854 2.371 -6.755 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.392 1.681 -5.026 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.548 1.386 -6.105 1.00 0.00 C ATOM 0 H TRP A 36 -4.925 5.972 -6.000 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.107 4.938 -3.402 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.391 7.292 -4.244 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.033 6.074 -3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.642 6.924 -6.125 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.800 4.924 -7.535 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.203 3.196 -3.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.205 2.142 -7.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.927 0.881 -4.536 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.443 0.362 -6.430 1.00 0.00 H new ATOM 584 N GLN A 37 -5.945 8.118 -3.696 1.00 0.00 N ATOM 585 CA GLN A 37 -6.625 9.216 -3.019 1.00 0.00 C ATOM 586 C GLN A 37 -7.877 8.723 -2.303 1.00 0.00 C ATOM 587 O GLN A 37 -8.101 9.036 -1.134 1.00 0.00 O ATOM 588 CB GLN A 37 -6.994 10.311 -4.022 1.00 0.00 C ATOM 589 CG GLN A 37 -7.261 11.661 -3.377 1.00 0.00 C ATOM 590 CD GLN A 37 -6.122 12.119 -2.488 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.066 12.526 -2.972 1.00 0.00 O ATOM 592 NE2 GLN A 37 -6.331 12.055 -1.178 1.00 0.00 N ATOM 0 H GLN A 37 -5.675 8.318 -4.659 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.943 9.629 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.186 10.417 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.880 10.001 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.430 12.404 -4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.176 11.603 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.222 11.711 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.601 12.350 -0.530 1.00 0.00 H new ATOM 601 N LYS A 38 -8.692 7.949 -3.012 1.00 0.00 N ATOM 602 CA LYS A 38 -9.923 7.410 -2.445 1.00 0.00 C ATOM 603 C LYS A 38 -9.627 6.555 -1.217 1.00 0.00 C ATOM 604 O LYS A 38 -10.238 6.734 -0.163 1.00 0.00 O ATOM 605 CB LYS A 38 -10.669 6.579 -3.491 1.00 0.00 C ATOM 606 CG LYS A 38 -11.152 7.390 -4.681 1.00 0.00 C ATOM 607 CD LYS A 38 -11.551 6.494 -5.841 1.00 0.00 C ATOM 608 CE LYS A 38 -11.668 7.280 -7.138 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.906 8.107 -7.175 1.00 0.00 N ATOM 0 H LYS A 38 -8.522 7.681 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.551 8.247 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.013 5.784 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.525 6.099 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.003 8.003 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.365 8.072 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.813 5.701 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.503 6.012 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.797 7.925 -7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.666 6.590 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.149 8.324 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.687 7.582 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.747 8.994 -6.655 1.00 0.00 H new ATOM 623 N ILE A 39 -8.686 5.628 -1.360 1.00 0.00 N ATOM 624 CA ILE A 39 -8.309 4.748 -0.261 1.00 0.00 C ATOM 625 C ILE A 39 -7.826 5.548 0.944 1.00 0.00 C ATOM 626 O ILE A 39 -8.327 5.379 2.055 1.00 0.00 O ATOM 627 CB ILE A 39 -7.204 3.761 -0.684 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.769 2.708 -1.639 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.588 3.099 0.540 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.712 2.025 -2.478 1.00 0.00 C ATOM 0 H ILE A 39 -8.171 5.467 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.202 4.186 0.013 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.423 4.314 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.305 1.955 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.496 3.181 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.809 2.405 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.154 3.862 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.359 2.556 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.184 1.291 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.191 2.768 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.998 1.523 -1.825 1.00 0.00 H new ATOM 642 N ALA A 40 -6.852 6.422 0.715 1.00 0.00 N ATOM 643 CA ALA A 40 -6.304 7.253 1.780 1.00 0.00 C ATOM 644 C ALA A 40 -7.416 7.873 2.619 1.00 0.00 C ATOM 645 O ALA A 40 -7.410 7.775 3.846 1.00 0.00 O ATOM 646 CB ALA A 40 -5.411 8.338 1.197 1.00 0.00 C ATOM 0 H ALA A 40 -6.426 6.573 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.705 6.617 2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.009 8.951 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.590 7.877 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.993 8.964 0.521 1.00 0.00 H new ATOM 652 N ASP A 41 -8.369 8.513 1.949 1.00 0.00 N ATOM 653 CA ASP A 41 -9.488 9.150 2.634 1.00 0.00 C ATOM 654 C ASP A 41 -9.985 8.282 3.786 1.00 0.00 C ATOM 655 O ASP A 41 -10.126 8.754 4.914 1.00 0.00 O ATOM 656 CB ASP A 41 -10.629 9.417 1.651 1.00 0.00 C ATOM 657 CG ASP A 41 -11.603 10.460 2.164 1.00 0.00 C ATOM 658 OD1 ASP A 41 -12.395 10.135 3.073 1.00 0.00 O ATOM 659 OD2 ASP A 41 -11.574 11.600 1.656 1.00 0.00 O ATOM 0 H ASP A 41 -8.389 8.604 0.933 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.140 10.099 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.214 9.748 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.164 8.487 1.459 1.00 0.00 H new ATOM 664 N GLU A 42 -10.251 7.013 3.493 1.00 0.00 N ATOM 665 CA GLU A 42 -10.734 6.081 4.505 1.00 0.00 C ATOM 666 C GLU A 42 -9.734 5.955 5.650 1.00 0.00 C ATOM 667 O GLU A 42 -10.072 6.187 6.812 1.00 0.00 O ATOM 668 CB GLU A 42 -10.990 4.707 3.883 1.00 0.00 C ATOM 669 CG GLU A 42 -12.398 4.539 3.336 1.00 0.00 C ATOM 670 CD GLU A 42 -13.464 4.970 4.325 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.656 4.263 5.336 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.105 6.015 4.087 1.00 0.00 O ATOM 0 H GLU A 42 -10.140 6.607 2.564 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.670 6.471 4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.274 4.543 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.807 3.938 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.500 5.122 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.557 3.495 3.068 1.00 0.00 H new ATOM 679 N LEU A 43 -8.503 5.585 5.315 1.00 0.00 N ATOM 680 CA LEU A 43 -7.453 5.427 6.315 1.00 0.00 C ATOM 681 C LEU A 43 -7.385 6.646 7.231 1.00 0.00 C ATOM 682 O LEU A 43 -7.572 6.536 8.442 1.00 0.00 O ATOM 683 CB LEU A 43 -6.101 5.211 5.634 1.00 0.00 C ATOM 684 CG LEU A 43 -5.924 3.882 4.899 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.973 4.044 3.723 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.418 2.809 5.853 1.00 0.00 C ATOM 0 H LEU A 43 -8.207 5.389 4.359 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.691 4.553 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.942 6.021 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.319 5.292 6.389 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.895 3.570 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.860 3.088 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.376 4.781 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.001 4.380 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.298 1.870 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.458 3.115 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.136 2.673 6.662 1.00 0.00 H new ATOM 698 N GLY A 44 -7.117 7.808 6.642 1.00 0.00 N ATOM 699 CA GLY A 44 -7.032 9.030 7.419 1.00 0.00 C ATOM 700 C GLY A 44 -5.610 9.356 7.833 1.00 0.00 C ATOM 701 O GLY A 44 -5.213 10.520 7.850 1.00 0.00 O ATOM 0 H GLY A 44 -6.957 7.924 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.436 9.857 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.654 8.935 8.309 1.00 0.00 H new ATOM 705 N ASN A 45 -4.842 8.325 8.168 1.00 0.00 N ATOM 706 CA ASN A 45 -3.456 8.508 8.585 1.00 0.00 C ATOM 707 C ASN A 45 -2.533 8.610 7.375 1.00 0.00 C ATOM 708 O ASN A 45 -1.736 9.543 7.267 1.00 0.00 O ATOM 709 CB ASN A 45 -3.015 7.349 9.481 1.00 0.00 C ATOM 710 CG ASN A 45 -4.053 7.001 10.531 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.060 7.694 10.677 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.811 5.924 11.268 1.00 0.00 N ATOM 0 H ASN A 45 -5.155 7.354 8.159 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.391 9.439 9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.818 6.472 8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.078 7.610 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.473 5.641 11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.963 5.379 11.112 1.00 0.00 H new ATOM 719 N ARG A 46 -2.646 7.646 6.468 1.00 0.00 N ATOM 720 CA ARG A 46 -1.820 7.627 5.266 1.00 0.00 C ATOM 721 C ARG A 46 -2.435 8.494 4.171 1.00 0.00 C ATOM 722 O ARG A 46 -3.633 8.781 4.190 1.00 0.00 O ATOM 723 CB ARG A 46 -1.650 6.193 4.761 1.00 0.00 C ATOM 724 CG ARG A 46 -0.665 5.373 5.577 1.00 0.00 C ATOM 725 CD ARG A 46 0.744 5.939 5.483 1.00 0.00 C ATOM 726 NE ARG A 46 1.000 6.943 6.512 1.00 0.00 N ATOM 727 CZ ARG A 46 1.353 6.646 7.757 1.00 0.00 C ATOM 728 NH1 ARG A 46 1.491 5.381 8.127 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.568 7.617 8.636 1.00 0.00 N ATOM 0 H ARG A 46 -3.301 6.868 6.542 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.841 8.033 5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.620 5.696 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.316 6.219 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.982 5.354 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.668 4.342 5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.467 5.129 5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.891 6.383 4.499 1.00 0.00 H new ATOM 0 HE ARG A 46 0.902 7.927 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.326 4.632 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.762 5.156 9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.462 8.592 8.355 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.839 7.388 9.592 1.00 0.00 H new ATOM 743 N THR A 47 -1.607 8.909 3.217 1.00 0.00 N ATOM 744 CA THR A 47 -2.068 9.744 2.115 1.00 0.00 C ATOM 745 C THR A 47 -1.875 9.042 0.776 1.00 0.00 C ATOM 746 O THR A 47 -1.116 8.079 0.673 1.00 0.00 O ATOM 747 CB THR A 47 -1.328 11.094 2.086 1.00 0.00 C ATOM 748 OG1 THR A 47 0.061 10.886 1.809 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.482 11.824 3.412 1.00 0.00 C ATOM 0 H THR A 47 -0.613 8.680 3.186 1.00 0.00 H new ATOM 0 HA THR A 47 -3.131 9.924 2.278 1.00 0.00 H new ATOM 0 HB THR A 47 -1.767 11.707 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.524 11.750 1.791 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.951 12.775 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.539 12.007 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.067 11.213 4.214 1.00 0.00 H new ATOM 757 N ALA A 48 -2.565 9.533 -0.249 1.00 0.00 N ATOM 758 CA ALA A 48 -2.466 8.954 -1.583 1.00 0.00 C ATOM 759 C ALA A 48 -1.044 8.486 -1.875 1.00 0.00 C ATOM 760 O ALA A 48 -0.811 7.309 -2.149 1.00 0.00 O ATOM 761 CB ALA A 48 -2.918 9.962 -2.630 1.00 0.00 C ATOM 0 H ALA A 48 -3.198 10.330 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.122 8.084 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.839 9.517 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.954 10.244 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.285 10.848 -2.579 1.00 0.00 H new ATOM 767 N LYS A 49 -0.097 9.416 -1.815 1.00 0.00 N ATOM 768 CA LYS A 49 1.303 9.100 -2.072 1.00 0.00 C ATOM 769 C LYS A 49 1.777 7.960 -1.176 1.00 0.00 C ATOM 770 O LYS A 49 2.052 6.859 -1.652 1.00 0.00 O ATOM 771 CB LYS A 49 2.176 10.336 -1.847 1.00 0.00 C ATOM 772 CG LYS A 49 2.363 11.184 -3.094 1.00 0.00 C ATOM 773 CD LYS A 49 3.587 10.753 -3.883 1.00 0.00 C ATOM 774 CE LYS A 49 3.270 9.595 -4.817 1.00 0.00 C ATOM 775 NZ LYS A 49 2.108 9.896 -5.698 1.00 0.00 N ATOM 0 H LYS A 49 -0.274 10.395 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 49 1.393 8.784 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.728 10.949 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.153 10.019 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.477 11.106 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.462 12.232 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.963 11.596 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.380 10.460 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.143 9.374 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.059 8.702 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.286 9.516 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.251 9.457 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.974 10.926 -5.756 1.00 0.00 H new ATOM 789 N GLN A 50 1.868 8.232 0.121 1.00 0.00 N ATOM 790 CA GLN A 50 2.308 7.228 1.083 1.00 0.00 C ATOM 791 C GLN A 50 1.675 5.873 0.783 1.00 0.00 C ATOM 792 O GLN A 50 2.292 4.828 0.992 1.00 0.00 O ATOM 793 CB GLN A 50 1.955 7.664 2.506 1.00 0.00 C ATOM 794 CG GLN A 50 2.586 8.987 2.911 1.00 0.00 C ATOM 795 CD GLN A 50 2.445 9.271 4.393 1.00 0.00 C ATOM 796 OE1 GLN A 50 1.239 9.634 4.814 1.00 0.00 O flip ATOM 797 NE2 GLN A 50 3.409 9.166 5.152 1.00 0.00 N flip ATOM 0 H GLN A 50 1.643 9.139 0.530 1.00 0.00 H new ATOM 0 HA GLN A 50 3.390 7.131 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.872 7.746 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.274 6.890 3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.643 8.977 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.123 9.795 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.318 8.884 4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.298 9.361 6.147 1.00 0.00 H new ATOM 806 N VAL A 51 0.440 5.897 0.291 1.00 0.00 N ATOM 807 CA VAL A 51 -0.276 4.671 -0.039 1.00 0.00 C ATOM 808 C VAL A 51 0.302 4.017 -1.289 1.00 0.00 C ATOM 809 O VAL A 51 0.424 2.794 -1.362 1.00 0.00 O ATOM 810 CB VAL A 51 -1.776 4.939 -0.260 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.490 3.664 -0.683 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.404 5.520 0.998 1.00 0.00 C ATOM 0 H VAL A 51 -0.085 6.753 0.112 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.156 3.997 0.809 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.883 5.669 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.549 3.873 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.056 3.295 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.377 2.909 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.464 5.703 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.288 4.815 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.910 6.458 1.251 1.00 0.00 H new ATOM 822 N ALA A 52 0.657 4.839 -2.271 1.00 0.00 N ATOM 823 CA ALA A 52 1.224 4.341 -3.517 1.00 0.00 C ATOM 824 C ALA A 52 2.443 3.463 -3.254 1.00 0.00 C ATOM 825 O ALA A 52 2.539 2.348 -3.766 1.00 0.00 O ATOM 826 CB ALA A 52 1.594 5.501 -4.430 1.00 0.00 C ATOM 0 H ALA A 52 0.562 5.854 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 52 0.469 3.730 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.016 5.114 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.702 6.086 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.329 6.135 -3.933 1.00 0.00 H new ATOM 832 N SER A 53 3.372 3.974 -2.452 1.00 0.00 N ATOM 833 CA SER A 53 4.587 3.237 -2.124 1.00 0.00 C ATOM 834 C SER A 53 4.253 1.911 -1.448 1.00 0.00 C ATOM 835 O SER A 53 4.853 0.880 -1.750 1.00 0.00 O ATOM 836 CB SER A 53 5.486 4.075 -1.213 1.00 0.00 C ATOM 837 OG SER A 53 6.172 5.072 -1.950 1.00 0.00 O ATOM 0 H SER A 53 3.307 4.895 -2.018 1.00 0.00 H new ATOM 0 HA SER A 53 5.117 3.027 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.884 4.544 -0.434 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.206 3.428 -0.713 1.00 0.00 H new ATOM 0 HG SER A 53 6.738 5.595 -1.345 1.00 0.00 H new ATOM 843 N GLN A 54 3.291 1.948 -0.531 1.00 0.00 N ATOM 844 CA GLN A 54 2.878 0.749 0.189 1.00 0.00 C ATOM 845 C GLN A 54 2.393 -0.326 -0.777 1.00 0.00 C ATOM 846 O GLN A 54 2.820 -1.479 -0.704 1.00 0.00 O ATOM 847 CB GLN A 54 1.772 1.087 1.191 1.00 0.00 C ATOM 848 CG GLN A 54 1.633 0.068 2.311 1.00 0.00 C ATOM 849 CD GLN A 54 2.810 0.087 3.266 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.874 0.621 2.949 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.626 -0.497 4.444 1.00 0.00 N ATOM 0 H GLN A 54 2.784 2.794 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 54 3.743 0.363 0.728 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.973 2.066 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.823 1.163 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.716 0.267 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.535 -0.929 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.728 -0.927 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.383 -0.515 5.128 1.00 0.00 H new ATOM 860 N VAL A 55 1.498 0.057 -1.682 1.00 0.00 N ATOM 861 CA VAL A 55 0.956 -0.874 -2.663 1.00 0.00 C ATOM 862 C VAL A 55 2.071 -1.622 -3.386 1.00 0.00 C ATOM 863 O VAL A 55 1.918 -2.791 -3.740 1.00 0.00 O ATOM 864 CB VAL A 55 0.082 -0.148 -3.704 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.437 -1.129 -4.744 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.068 0.576 -3.020 1.00 0.00 C ATOM 0 H VAL A 55 1.133 1.007 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 55 0.340 -1.587 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 55 0.696 0.594 -4.215 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.052 -0.598 -5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.405 -1.597 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.036 -1.896 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.675 1.084 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.683 -0.145 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.670 1.309 -2.318 1.00 0.00 H new ATOM 876 N GLN A 56 3.191 -0.941 -3.600 1.00 0.00 N ATOM 877 CA GLN A 56 4.332 -1.541 -4.280 1.00 0.00 C ATOM 878 C GLN A 56 4.862 -2.740 -3.500 1.00 0.00 C ATOM 879 O GLN A 56 5.130 -3.797 -4.071 1.00 0.00 O ATOM 880 CB GLN A 56 5.444 -0.507 -4.467 1.00 0.00 C ATOM 881 CG GLN A 56 5.025 0.692 -5.301 1.00 0.00 C ATOM 882 CD GLN A 56 4.620 0.310 -6.711 1.00 0.00 C ATOM 883 OE1 GLN A 56 3.653 -0.426 -6.913 1.00 0.00 O ATOM 884 NE2 GLN A 56 5.358 0.808 -7.696 1.00 0.00 N ATOM 0 H GLN A 56 3.333 0.027 -3.312 1.00 0.00 H new ATOM 0 HA GLN A 56 3.999 -1.886 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.775 -0.160 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.300 -0.988 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.192 1.196 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.848 1.405 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.151 1.414 -7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.132 0.585 -8.665 1.00 0.00 H new ATOM 893 N LYS A 57 5.012 -2.568 -2.191 1.00 0.00 N ATOM 894 CA LYS A 57 5.509 -3.635 -1.331 1.00 0.00 C ATOM 895 C LYS A 57 4.378 -4.570 -0.915 1.00 0.00 C ATOM 896 O LYS A 57 4.457 -5.235 0.119 1.00 0.00 O ATOM 897 CB LYS A 57 6.181 -3.046 -0.088 1.00 0.00 C ATOM 898 CG LYS A 57 7.434 -2.245 -0.397 1.00 0.00 C ATOM 899 CD LYS A 57 8.038 -1.648 0.863 1.00 0.00 C ATOM 900 CE LYS A 57 9.154 -0.668 0.535 1.00 0.00 C ATOM 901 NZ LYS A 57 9.568 0.121 1.729 1.00 0.00 N ATOM 0 H LYS A 57 4.796 -1.699 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 57 6.243 -4.210 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.468 -2.405 0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.437 -3.856 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.167 -2.888 -0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.193 -1.447 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.262 -1.139 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.427 -2.446 1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.013 -1.213 0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.822 0.010 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.330 0.777 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.755 0.661 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.908 -0.524 2.470 1.00 0.00 H new ATOM 915 N TYR A 58 3.327 -4.617 -1.725 1.00 0.00 N ATOM 916 CA TYR A 58 2.179 -5.470 -1.441 1.00 0.00 C ATOM 917 C TYR A 58 1.921 -6.438 -2.591 1.00 0.00 C ATOM 918 O TYR A 58 1.517 -7.581 -2.378 1.00 0.00 O ATOM 919 CB TYR A 58 0.935 -4.618 -1.187 1.00 0.00 C ATOM 920 CG TYR A 58 0.741 -4.246 0.266 1.00 0.00 C ATOM 921 CD1 TYR A 58 1.807 -3.795 1.036 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.506 -4.347 0.870 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.635 -3.455 2.364 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.687 -4.008 2.196 1.00 0.00 C ATOM 925 CZ TYR A 58 0.386 -3.563 2.939 1.00 0.00 C ATOM 926 OH TYR A 58 0.210 -3.226 4.262 1.00 0.00 O ATOM 0 H TYR A 58 3.246 -4.074 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 58 2.403 -6.050 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.002 -3.706 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.056 -5.161 -1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.786 -3.709 0.589 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.349 -4.697 0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.474 -3.107 2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.664 -4.091 2.649 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.729 -3.358 4.511 1.00 0.00 H new ATOM 936 N PHE A 59 2.157 -5.970 -3.813 1.00 0.00 N ATOM 937 CA PHE A 59 1.950 -6.793 -4.999 1.00 0.00 C ATOM 938 C PHE A 59 3.284 -7.190 -5.626 1.00 0.00 C ATOM 939 O PHE A 59 3.488 -8.346 -5.996 1.00 0.00 O ATOM 940 CB PHE A 59 1.096 -6.043 -6.023 1.00 0.00 C ATOM 941 CG PHE A 59 -0.304 -5.771 -5.552 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.531 -5.051 -4.390 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.394 -6.235 -6.272 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.819 -4.801 -3.955 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.684 -5.988 -5.841 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.896 -5.268 -4.681 1.00 0.00 C ATOM 0 H PHE A 59 2.491 -5.026 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 59 1.428 -7.700 -4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.580 -5.097 -6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.054 -6.624 -6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.307 -4.681 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.233 -6.796 -7.181 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.983 -4.240 -3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.525 -6.357 -6.410 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.903 -5.071 -4.343 1.00 0.00 H new ATOM 956 N ILE A 60 4.187 -6.222 -5.741 1.00 0.00 N ATOM 957 CA ILE A 60 5.501 -6.470 -6.322 1.00 0.00 C ATOM 958 C ILE A 60 6.359 -7.325 -5.395 1.00 0.00 C ATOM 959 O ILE A 60 6.821 -8.401 -5.776 1.00 0.00 O ATOM 960 CB ILE A 60 6.242 -5.153 -6.620 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.418 -4.283 -7.571 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.614 -5.440 -7.211 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.963 -2.881 -7.732 1.00 0.00 C ATOM 0 H ILE A 60 4.033 -5.260 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 60 5.337 -7.005 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 60 6.377 -4.609 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.379 -4.764 -8.549 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.394 -4.226 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.126 -4.500 -7.416 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.200 -6.025 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.500 -6.001 -8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.329 -2.321 -8.420 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.976 -2.382 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.977 -2.928 -8.130 1.00 0.00 H new ATOM 975 N LYS A 61 6.567 -6.840 -4.176 1.00 0.00 N ATOM 976 CA LYS A 61 7.367 -7.560 -3.192 1.00 0.00 C ATOM 977 C LYS A 61 7.186 -9.067 -3.341 1.00 0.00 C ATOM 978 O LYS A 61 8.125 -9.838 -3.139 1.00 0.00 O ATOM 979 CB LYS A 61 6.982 -7.126 -1.776 1.00 0.00 C ATOM 980 CG LYS A 61 7.781 -7.823 -0.688 1.00 0.00 C ATOM 981 CD LYS A 61 7.160 -7.610 0.683 1.00 0.00 C ATOM 982 CE LYS A 61 6.151 -8.699 1.012 1.00 0.00 C ATOM 983 NZ LYS A 61 6.813 -10.004 1.289 1.00 0.00 N ATOM 0 H LYS A 61 6.193 -5.951 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 61 8.416 -7.319 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.122 -6.049 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.922 -7.324 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.835 -8.890 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.804 -7.446 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.944 -7.597 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.670 -6.637 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.563 -8.399 1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.456 -8.814 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.158 -10.622 1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.076 -10.457 0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.668 -9.845 1.860 1.00 0.00 H new ATOM 997 N LEU A 62 5.974 -9.480 -3.696 1.00 0.00 N ATOM 998 CA LEU A 62 5.670 -10.896 -3.873 1.00 0.00 C ATOM 999 C LEU A 62 6.760 -11.589 -4.684 1.00 0.00 C ATOM 1000 O LEU A 62 7.336 -12.586 -4.247 1.00 0.00 O ATOM 1001 CB LEU A 62 4.317 -11.064 -4.567 1.00 0.00 C ATOM 1002 CG LEU A 62 3.087 -10.693 -3.738 1.00 0.00 C ATOM 1003 CD1 LEU A 62 1.840 -10.681 -4.609 1.00 0.00 C ATOM 1004 CD2 LEU A 62 2.918 -11.658 -2.574 1.00 0.00 C ATOM 0 H LEU A 62 5.186 -8.855 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 62 5.626 -11.359 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.317 -10.456 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.219 -12.103 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 62 3.233 -9.691 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.975 -10.415 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.961 -9.950 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.689 -11.670 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.038 -11.379 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.794 -12.671 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.801 -11.616 -1.936 1.00 0.00 H new ATOM 1016 N THR A 63 7.041 -11.053 -5.869 1.00 0.00 N ATOM 1017 CA THR A 63 8.062 -11.619 -6.741 1.00 0.00 C ATOM 1018 C THR A 63 9.415 -11.671 -6.041 1.00 0.00 C ATOM 1019 O THR A 63 10.226 -12.561 -6.300 1.00 0.00 O ATOM 1020 CB THR A 63 8.201 -10.809 -8.043 1.00 0.00 C ATOM 1021 OG1 THR A 63 9.251 -11.353 -8.849 1.00 0.00 O ATOM 1022 CG2 THR A 63 8.492 -9.346 -7.742 1.00 0.00 C ATOM 0 H THR A 63 6.575 -10.228 -6.246 1.00 0.00 H new ATOM 0 HA THR A 63 7.743 -12.632 -6.985 1.00 0.00 H new ATOM 0 HB THR A 63 7.258 -10.871 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.332 -10.833 -9.676 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.586 -8.794 -8.677 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.676 -8.926 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.423 -9.268 -7.180 1.00 0.00 H new ATOM 1030 N LYS A 64 9.654 -10.712 -5.153 1.00 0.00 N ATOM 1031 CA LYS A 64 10.909 -10.649 -4.413 1.00 0.00 C ATOM 1032 C LYS A 64 10.793 -9.697 -3.226 1.00 0.00 C ATOM 1033 O LYS A 64 10.190 -8.630 -3.331 1.00 0.00 O ATOM 1034 CB LYS A 64 12.045 -10.197 -5.333 1.00 0.00 C ATOM 1035 CG LYS A 64 12.618 -11.316 -6.186 1.00 0.00 C ATOM 1036 CD LYS A 64 14.024 -10.992 -6.660 1.00 0.00 C ATOM 1037 CE LYS A 64 14.011 -9.979 -7.795 1.00 0.00 C ATOM 1038 NZ LYS A 64 13.450 -10.558 -9.048 1.00 0.00 N ATOM 0 H LYS A 64 8.995 -9.967 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 64 11.130 -11.647 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.679 -9.405 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.843 -9.768 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.631 -12.242 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.972 -11.485 -7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.608 -10.600 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.517 -11.906 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.422 -9.111 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.026 -9.627 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.715 -9.959 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.830 -11.516 -9.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.414 -10.604 -8.976 1.00 0.00 H new ATOM 1052 N ALA A 65 11.377 -10.091 -2.099 1.00 0.00 N ATOM 1053 CA ALA A 65 11.342 -9.271 -0.894 1.00 0.00 C ATOM 1054 C ALA A 65 12.517 -8.300 -0.857 1.00 0.00 C ATOM 1055 O ALA A 65 12.358 -7.131 -0.509 1.00 0.00 O ATOM 1056 CB ALA A 65 11.345 -10.154 0.345 1.00 0.00 C ATOM 0 H ALA A 65 11.880 -10.972 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 65 10.422 -8.687 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.319 -9.529 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.470 -10.803 0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.249 -10.763 0.355 1.00 0.00 H new ATOM 1062 N GLY A 66 13.698 -8.793 -1.217 1.00 0.00 N ATOM 1063 CA GLY A 66 14.883 -7.956 -1.217 1.00 0.00 C ATOM 1064 C GLY A 66 14.959 -7.058 -2.436 1.00 0.00 C ATOM 1065 O GLY A 66 15.978 -7.024 -3.127 1.00 0.00 O ATOM 0 H GLY A 66 13.855 -9.758 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.890 -7.342 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.770 -8.588 -1.179 1.00 0.00 H new ATOM 1069 N ILE A 67 13.879 -6.331 -2.702 1.00 0.00 N ATOM 1070 CA ILE A 67 13.829 -5.431 -3.847 1.00 0.00 C ATOM 1071 C ILE A 67 14.222 -4.012 -3.448 1.00 0.00 C ATOM 1072 O ILE A 67 13.829 -3.505 -2.397 1.00 0.00 O ATOM 1073 CB ILE A 67 12.425 -5.403 -4.480 1.00 0.00 C ATOM 1074 CG1 ILE A 67 12.028 -6.803 -4.955 1.00 0.00 C ATOM 1075 CG2 ILE A 67 12.384 -4.414 -5.635 1.00 0.00 C ATOM 1076 CD1 ILE A 67 10.565 -6.925 -5.318 1.00 0.00 C ATOM 0 H ILE A 67 13.028 -6.348 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 67 14.542 -5.811 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 67 11.708 -5.079 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 67 12.633 -7.069 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.261 -7.524 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.385 -4.406 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.628 -3.417 -5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.109 -4.710 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.355 -7.943 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.953 -6.691 -4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.331 -6.229 -6.124 1.00 0.00 H new ATOM 1088 N PRO A 68 15.015 -3.355 -4.307 1.00 0.00 N ATOM 1089 CA PRO A 68 15.477 -1.984 -4.067 1.00 0.00 C ATOM 1090 C PRO A 68 14.349 -0.964 -4.176 1.00 0.00 C ATOM 1091 O PRO A 68 13.625 -0.928 -5.171 1.00 0.00 O ATOM 1092 CB PRO A 68 16.510 -1.759 -5.175 1.00 0.00 C ATOM 1093 CG PRO A 68 16.108 -2.694 -6.263 1.00 0.00 C ATOM 1094 CD PRO A 68 15.521 -3.898 -5.579 1.00 0.00 C ATOM 0 HA PRO A 68 15.876 -1.859 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.503 -0.725 -5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.520 -1.971 -4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 68 15.380 -2.229 -6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 68 16.966 -2.973 -6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 68 14.723 -4.347 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.270 -4.672 -5.416 1.00 0.00 H new ATOM 1102 N VAL A 69 14.204 -0.136 -3.146 1.00 0.00 N ATOM 1103 CA VAL A 69 13.165 0.886 -3.127 1.00 0.00 C ATOM 1104 C VAL A 69 13.742 2.263 -3.432 1.00 0.00 C ATOM 1105 O VAL A 69 14.856 2.586 -3.017 1.00 0.00 O ATOM 1106 CB VAL A 69 12.447 0.931 -1.765 1.00 0.00 C ATOM 1107 CG1 VAL A 69 13.419 1.327 -0.663 1.00 0.00 C ATOM 1108 CG2 VAL A 69 11.267 1.890 -1.816 1.00 0.00 C ATOM 0 H VAL A 69 14.793 -0.153 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 69 12.444 0.619 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 69 12.066 -0.065 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.895 1.354 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.228 0.598 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.831 2.313 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.771 1.909 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.622 2.891 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.561 1.558 -2.577 1.00 0.00 H new ATOM 1118 N SER A 70 12.978 3.072 -4.158 1.00 0.00 N ATOM 1119 CA SER A 70 13.415 4.415 -4.521 1.00 0.00 C ATOM 1120 C SER A 70 13.827 5.206 -3.283 1.00 0.00 C ATOM 1121 O SER A 70 14.848 5.892 -3.281 1.00 0.00 O ATOM 1122 CB SER A 70 12.300 5.154 -5.264 1.00 0.00 C ATOM 1123 OG SER A 70 11.281 5.571 -4.371 1.00 0.00 O ATOM 0 H SER A 70 12.053 2.821 -4.507 1.00 0.00 H new ATOM 0 HA SER A 70 14.281 4.323 -5.177 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.714 6.021 -5.778 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.874 4.503 -6.028 1.00 0.00 H new ATOM 0 HG SER A 70 10.581 6.042 -4.870 1.00 0.00 H new ATOM 1129 N GLY A 71 13.022 5.104 -2.228 1.00 0.00 N ATOM 1130 CA GLY A 71 13.319 5.814 -0.998 1.00 0.00 C ATOM 1131 C GLY A 71 12.951 7.283 -1.073 1.00 0.00 C ATOM 1132 O GLY A 71 13.045 7.915 -2.126 1.00 0.00 O ATOM 0 H GLY A 71 12.171 4.543 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.778 5.349 -0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.382 5.720 -0.775 1.00 0.00 H new ATOM 1136 N PRO A 72 12.519 7.848 0.064 1.00 0.00 N ATOM 1137 CA PRO A 72 12.126 9.258 0.148 1.00 0.00 C ATOM 1138 C PRO A 72 13.318 10.200 0.017 1.00 0.00 C ATOM 1139 O PRO A 72 14.467 9.762 -0.027 1.00 0.00 O ATOM 1140 CB PRO A 72 11.507 9.370 1.543 1.00 0.00 C ATOM 1141 CG PRO A 72 12.140 8.275 2.329 1.00 0.00 C ATOM 1142 CD PRO A 72 12.383 7.154 1.356 1.00 0.00 C ATOM 0 HA PRO A 72 11.449 9.542 -0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.709 10.344 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.424 9.255 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.074 8.609 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.490 7.952 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.283 6.592 1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.556 6.444 1.346 1.00 0.00 H new ATOM 1150 N SER A 73 13.036 11.498 -0.045 1.00 0.00 N ATOM 1151 CA SER A 73 14.084 12.503 -0.175 1.00 0.00 C ATOM 1152 C SER A 73 14.495 13.039 1.193 1.00 0.00 C ATOM 1153 O SER A 73 15.666 12.984 1.568 1.00 0.00 O ATOM 1154 CB SER A 73 13.610 13.653 -1.065 1.00 0.00 C ATOM 1155 OG SER A 73 12.389 14.194 -0.591 1.00 0.00 O ATOM 0 H SER A 73 12.090 11.878 -0.007 1.00 0.00 H new ATOM 0 HA SER A 73 14.951 12.030 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.371 14.433 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.481 13.297 -2.087 1.00 0.00 H new ATOM 0 HG SER A 73 12.108 14.929 -1.176 1.00 0.00 H new ATOM 1161 N SER A 74 13.522 13.558 1.935 1.00 0.00 N ATOM 1162 CA SER A 74 13.781 14.108 3.260 1.00 0.00 C ATOM 1163 C SER A 74 12.872 13.466 4.303 1.00 0.00 C ATOM 1164 O SER A 74 11.900 12.791 3.964 1.00 0.00 O ATOM 1165 CB SER A 74 13.578 15.625 3.255 1.00 0.00 C ATOM 1166 OG SER A 74 13.888 16.185 4.519 1.00 0.00 O ATOM 0 H SER A 74 12.547 13.609 1.641 1.00 0.00 H new ATOM 0 HA SER A 74 14.816 13.888 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.208 16.077 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.545 15.856 2.995 1.00 0.00 H new ATOM 0 HG SER A 74 13.752 17.155 4.489 1.00 0.00 H new ATOM 1172 N GLY A 75 13.195 13.681 5.575 1.00 0.00 N ATOM 1173 CA GLY A 75 12.399 13.116 6.648 1.00 0.00 C ATOM 1174 C GLY A 75 13.189 12.952 7.932 1.00 0.00 C ATOM 1175 O GLY A 75 12.741 13.365 9.001 1.00 0.00 O ATOM 0 H GLY A 75 13.994 14.237 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.538 13.758 6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.012 12.146 6.337 1.00 0.00 H new TER 1179 GLY A 75