USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 890 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 102 CYS SG : rot 180:sc= -0.779 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -1.97 X(o=-2.8,f=-2.6) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.0417 USER MOD Set 2.2: A 70 HIS :FLIP no HD1:sc= -5.68! C(o=-6.3!,f=-5.6!) USER MOD Set 3.1: A 13 TYR OH : rot 130:sc= 0.0449 USER MOD Set 3.2: A 43 ASN : amide:sc=-0.00376 X(o=0.041,f=-0.34) 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 -5:sc= 0.284 USER MOD Single : A 5 SER OG : rot 14:sc= 0.162! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -106:sc= -1.77 (180deg=-2.97!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.217 F(o=-1,f=-0.22) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0939 K(o=-0.094,f=-1.3) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.066 USER MOD Single : A 45 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.2) USER MOD Single : A 49 GLN : amide:sc=-0.000413 X(o=-0.00041,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 160:sc= 0.00388 USER MOD Single : A 71 THR OG1 : rot -57:sc= -0.0565! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 151:sc= -0.265 (180deg=-0.997) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 94 HIS : no HE2:sc= -0.948 X(o=-0.95,f=-0.53) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.6!) USER MOD Single : A 103 THR OG1 : rot 45:sc= 0.536 USER MOD Single : A 104 GLN : amide:sc=-0.00119 K(o=-0.0012,f=-1) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 107 THR OG1 : rot -160:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.476 K(o=-0.48,f=-2.2!) USER MOD Single : A 114 ASN : amide:sc= -0.706 K(o=-0.71,f=-3.2!) USER MOD Single : A 115 SER OG : rot 180:sc= -0.216 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.967 12.070 6.959 1.00 0.00 N ATOM 2 CA GLY A 1 -16.042 13.265 7.779 1.00 0.00 C ATOM 3 C GLY A 1 -14.771 14.089 7.721 1.00 0.00 C ATOM 4 O GLY A 1 -14.304 14.447 6.640 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.860 11.542 7.033 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.805 12.339 5.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.183 11.472 7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.883 13.876 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.240 12.981 8.812 1.00 0.00 H new ATOM 8 N SER A 2 -14.211 14.392 8.888 1.00 0.00 N ATOM 9 CA SER A 2 -12.989 15.184 8.966 1.00 0.00 C ATOM 10 C SER A 2 -12.369 15.090 10.357 1.00 0.00 C ATOM 11 O SER A 2 -13.064 14.847 11.343 1.00 0.00 O ATOM 12 CB SER A 2 -13.281 16.646 8.622 1.00 0.00 C ATOM 13 OG SER A 2 -12.143 17.274 8.059 1.00 0.00 O ATOM 0 H SER A 2 -14.584 14.101 9.792 1.00 0.00 H new ATOM 0 HA SER A 2 -12.278 14.784 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.114 16.699 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.588 17.180 9.521 1.00 0.00 H new ATOM 0 HG SER A 2 -12.356 18.207 7.846 1.00 0.00 H new ATOM 19 N SER A 3 -11.056 15.285 10.427 1.00 0.00 N ATOM 20 CA SER A 3 -10.340 15.219 11.696 1.00 0.00 C ATOM 21 C SER A 3 -10.868 14.077 12.558 1.00 0.00 C ATOM 22 O SER A 3 -11.044 14.227 13.767 1.00 0.00 O ATOM 23 CB SER A 3 -10.472 16.545 12.449 1.00 0.00 C ATOM 24 OG SER A 3 -11.818 16.790 12.818 1.00 0.00 O ATOM 0 H SER A 3 -10.466 15.490 9.620 1.00 0.00 H new ATOM 0 HA SER A 3 -9.287 15.033 11.483 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.845 16.525 13.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.109 17.360 11.823 1.00 0.00 H new ATOM 0 HG SER A 3 -12.392 16.088 12.446 1.00 0.00 H new ATOM 30 N GLY A 4 -11.118 12.934 11.927 1.00 0.00 N ATOM 31 CA GLY A 4 -11.622 11.782 12.651 1.00 0.00 C ATOM 32 C GLY A 4 -11.472 10.493 11.867 1.00 0.00 C ATOM 33 O GLY A 4 -12.203 10.253 10.907 1.00 0.00 O ATOM 0 H GLY A 4 -10.980 12.785 10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.091 11.691 13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.674 11.938 12.889 1.00 0.00 H new ATOM 37 N SER A 5 -10.519 9.661 12.276 1.00 0.00 N ATOM 38 CA SER A 5 -10.270 8.392 11.602 1.00 0.00 C ATOM 39 C SER A 5 -9.302 7.530 12.406 1.00 0.00 C ATOM 40 O SER A 5 -8.259 8.004 12.856 1.00 0.00 O ATOM 41 CB SER A 5 -9.710 8.637 10.200 1.00 0.00 C ATOM 42 OG SER A 5 -8.341 9.000 10.254 1.00 0.00 O ATOM 0 H SER A 5 -9.907 9.843 13.071 1.00 0.00 H new ATOM 0 HA SER A 5 -11.218 7.861 11.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.827 7.737 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.280 9.427 9.710 1.00 0.00 H new ATOM 0 HG SER A 5 -7.986 8.806 11.147 1.00 0.00 H new ATOM 48 N SER A 6 -9.655 6.261 12.583 1.00 0.00 N ATOM 49 CA SER A 6 -8.820 5.333 13.336 1.00 0.00 C ATOM 50 C SER A 6 -8.177 4.306 12.408 1.00 0.00 C ATOM 51 O SER A 6 -8.707 3.999 11.341 1.00 0.00 O ATOM 52 CB SER A 6 -9.649 4.621 14.406 1.00 0.00 C ATOM 53 OG SER A 6 -8.818 4.077 15.417 1.00 0.00 O ATOM 0 H SER A 6 -10.514 5.852 12.215 1.00 0.00 H new ATOM 0 HA SER A 6 -8.029 5.905 13.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.355 5.323 14.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.236 3.826 13.946 1.00 0.00 H new ATOM 0 HG SER A 6 -9.372 3.629 16.090 1.00 0.00 H new ATOM 59 N GLY A 7 -7.030 3.778 12.825 1.00 0.00 N ATOM 60 CA GLY A 7 -6.332 2.792 12.021 1.00 0.00 C ATOM 61 C GLY A 7 -4.970 2.442 12.585 1.00 0.00 C ATOM 62 O GLY A 7 -4.096 3.302 12.691 1.00 0.00 O ATOM 0 H GLY A 7 -6.572 4.016 13.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.937 1.888 11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.215 3.173 11.006 1.00 0.00 H new ATOM 66 N GLU A 8 -4.789 1.177 12.950 1.00 0.00 N ATOM 67 CA GLU A 8 -3.523 0.717 13.509 1.00 0.00 C ATOM 68 C GLU A 8 -2.725 -0.070 12.474 1.00 0.00 C ATOM 69 O GLU A 8 -3.293 -0.687 11.575 1.00 0.00 O ATOM 70 CB GLU A 8 -3.771 -0.150 14.745 1.00 0.00 C ATOM 71 CG GLU A 8 -4.043 0.652 16.007 1.00 0.00 C ATOM 72 CD GLU A 8 -2.774 0.998 16.763 1.00 0.00 C ATOM 73 OE1 GLU A 8 -1.752 1.286 16.106 1.00 0.00 O ATOM 74 OE2 GLU A 8 -2.804 0.979 18.012 1.00 0.00 O ATOM 0 H GLU A 8 -5.502 0.453 12.869 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.944 1.593 13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.619 -0.808 14.553 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.903 -0.789 14.910 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.566 1.571 15.743 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.706 0.083 16.659 1.00 0.00 H new ATOM 81 N ASN A 9 -1.403 -0.042 12.609 1.00 0.00 N ATOM 82 CA ASN A 9 -0.525 -0.752 11.686 1.00 0.00 C ATOM 83 C ASN A 9 -1.030 -2.170 11.436 1.00 0.00 C ATOM 84 O ASN A 9 -1.608 -2.800 12.322 1.00 0.00 O ATOM 85 CB ASN A 9 0.901 -0.797 12.237 1.00 0.00 C ATOM 86 CG ASN A 9 1.623 0.528 12.083 1.00 0.00 C ATOM 87 OD1 ASN A 9 0.998 1.589 12.064 1.00 0.00 O ATOM 88 ND2 ASN A 9 2.945 0.472 11.973 1.00 0.00 N ATOM 0 H ASN A 9 -0.916 0.465 13.349 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.524 -0.213 10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.872 -1.071 13.292 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.463 -1.576 11.721 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.485 1.331 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.421 -0.430 11.994 1.00 0.00 H new ATOM 95 N VAL A 10 -0.808 -2.666 10.223 1.00 0.00 N ATOM 96 CA VAL A 10 -1.239 -4.010 9.856 1.00 0.00 C ATOM 97 C VAL A 10 -0.045 -4.940 9.676 1.00 0.00 C ATOM 98 O VAL A 10 0.839 -4.682 8.859 1.00 0.00 O ATOM 99 CB VAL A 10 -2.067 -3.999 8.557 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.553 -5.401 8.222 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.238 -3.035 8.681 1.00 0.00 C ATOM 0 H VAL A 10 -0.332 -2.157 9.478 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.862 -4.376 10.672 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.429 -3.657 7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.136 -5.374 7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.696 -6.061 8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.176 -5.774 9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.813 -3.039 7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.878 -3.345 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.863 -2.029 8.870 1.00 0.00 H new ATOM 111 N TYR A 11 -0.024 -6.023 10.446 1.00 0.00 N ATOM 112 CA TYR A 11 1.063 -6.992 10.373 1.00 0.00 C ATOM 113 C TYR A 11 0.548 -8.408 10.614 1.00 0.00 C ATOM 114 O TYR A 11 -0.436 -8.610 11.324 1.00 0.00 O ATOM 115 CB TYR A 11 2.147 -6.651 11.397 1.00 0.00 C ATOM 116 CG TYR A 11 1.610 -6.014 12.659 1.00 0.00 C ATOM 117 CD1 TYR A 11 1.016 -6.786 13.650 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.695 -4.642 12.859 1.00 0.00 C ATOM 119 CE1 TYR A 11 0.523 -6.208 14.805 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.206 -4.057 14.011 1.00 0.00 C ATOM 121 CZ TYR A 11 0.621 -4.844 14.980 1.00 0.00 C ATOM 122 OH TYR A 11 0.131 -4.264 16.128 1.00 0.00 O ATOM 0 H TYR A 11 -0.748 -6.252 11.128 1.00 0.00 H new ATOM 0 HA TYR A 11 1.490 -6.946 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.685 -7.561 11.660 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.869 -5.975 10.938 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.938 -7.855 13.516 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.151 -4.022 12.101 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.064 -6.822 15.566 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.282 -2.989 14.152 1.00 0.00 H new ATOM 0 HH TYR A 11 0.280 -3.296 16.095 1.00 0.00 H new ATOM 132 N GLY A 12 1.222 -9.385 10.016 1.00 0.00 N ATOM 133 CA GLY A 12 0.820 -10.770 10.177 1.00 0.00 C ATOM 134 C GLY A 12 1.810 -11.737 9.558 1.00 0.00 C ATOM 135 O GLY A 12 2.402 -11.450 8.518 1.00 0.00 O ATOM 0 H GLY A 12 2.039 -9.242 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.714 -10.993 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.159 -10.916 9.721 1.00 0.00 H new ATOM 139 N TYR A 13 1.992 -12.886 10.200 1.00 0.00 N ATOM 140 CA TYR A 13 2.920 -13.897 9.709 1.00 0.00 C ATOM 141 C TYR A 13 2.403 -14.533 8.423 1.00 0.00 C ATOM 142 O TYR A 13 1.508 -15.379 8.451 1.00 0.00 O ATOM 143 CB TYR A 13 3.142 -14.975 10.771 1.00 0.00 C ATOM 144 CG TYR A 13 4.278 -14.667 11.720 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.304 -13.478 12.440 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.325 -15.563 11.896 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.341 -13.192 13.307 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.365 -15.285 12.762 1.00 0.00 C ATOM 149 CZ TYR A 13 6.368 -14.098 13.465 1.00 0.00 C ATOM 150 OH TYR A 13 7.403 -13.818 14.328 1.00 0.00 O ATOM 0 H TYR A 13 1.509 -13.140 11.062 1.00 0.00 H new ATOM 0 HA TYR A 13 3.870 -13.407 9.494 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.224 -15.101 11.345 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.341 -15.925 10.276 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.501 -12.766 12.320 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.326 -16.493 11.346 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.347 -12.263 13.858 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.171 -15.993 12.888 1.00 0.00 H new ATOM 0 HH TYR A 13 7.547 -14.582 14.925 1.00 0.00 H new ATOM 160 N LEU A 14 2.973 -14.121 7.296 1.00 0.00 N ATOM 161 CA LEU A 14 2.571 -14.650 5.997 1.00 0.00 C ATOM 162 C LEU A 14 3.652 -15.559 5.422 1.00 0.00 C ATOM 163 O LEU A 14 4.806 -15.512 5.845 1.00 0.00 O ATOM 164 CB LEU A 14 2.281 -13.504 5.025 1.00 0.00 C ATOM 165 CG LEU A 14 1.349 -12.407 5.540 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.640 -11.088 4.840 1.00 0.00 C ATOM 167 CD2 LEU A 14 -0.105 -12.807 5.345 1.00 0.00 C ATOM 0 H LEU A 14 3.715 -13.422 7.255 1.00 0.00 H new ATOM 0 HA LEU A 14 1.664 -15.238 6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.229 -13.045 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.848 -13.925 4.118 1.00 0.00 H new ATOM 0 HG LEU A 14 1.528 -12.276 6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.967 -10.319 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.672 -10.794 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.490 -11.205 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.754 -12.014 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.299 -12.967 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.306 -13.727 5.893 1.00 0.00 H new ATOM 179 N MET A 15 3.269 -16.385 4.453 1.00 0.00 N ATOM 180 CA MET A 15 4.207 -17.303 3.817 1.00 0.00 C ATOM 181 C MET A 15 4.709 -16.736 2.493 1.00 0.00 C ATOM 182 O MET A 15 3.957 -16.639 1.522 1.00 0.00 O ATOM 183 CB MET A 15 3.544 -18.662 3.585 1.00 0.00 C ATOM 184 CG MET A 15 3.079 -19.338 4.864 1.00 0.00 C ATOM 185 SD MET A 15 3.007 -21.134 4.715 1.00 0.00 S ATOM 186 CE MET A 15 4.728 -21.563 4.964 1.00 0.00 C ATOM 0 H MET A 15 2.317 -16.437 4.092 1.00 0.00 H new ATOM 0 HA MET A 15 5.060 -17.432 4.483 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.689 -18.531 2.921 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.248 -19.318 3.073 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.754 -19.072 5.677 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.092 -18.960 5.132 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.173 -21.850 4.011 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.262 -20.704 5.370 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.798 -22.397 5.663 1.00 0.00 H new ATOM 196 N LYS A 16 5.983 -16.362 2.459 1.00 0.00 N ATOM 197 CA LYS A 16 6.587 -15.806 1.254 1.00 0.00 C ATOM 198 C LYS A 16 7.189 -16.908 0.389 1.00 0.00 C ATOM 199 O LYS A 16 7.956 -17.741 0.872 1.00 0.00 O ATOM 200 CB LYS A 16 7.667 -14.786 1.624 1.00 0.00 C ATOM 201 CG LYS A 16 7.921 -13.751 0.542 1.00 0.00 C ATOM 202 CD LYS A 16 8.921 -12.702 0.999 1.00 0.00 C ATOM 203 CE LYS A 16 9.570 -11.998 -0.183 1.00 0.00 C ATOM 204 NZ LYS A 16 10.656 -12.817 -0.788 1.00 0.00 N ATOM 0 H LYS A 16 6.618 -16.434 3.254 1.00 0.00 H new ATOM 0 HA LYS A 16 5.804 -15.307 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.374 -14.276 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.597 -15.314 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.294 -14.245 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.982 -13.267 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.418 -11.969 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.691 -13.173 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.814 -11.783 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.976 -11.040 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.073 -12.303 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.390 -13.001 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.264 -13.721 -1.122 1.00 0.00 H new ATOM 218 N TYR A 17 6.838 -16.906 -0.892 1.00 0.00 N ATOM 219 CA TYR A 17 7.343 -17.906 -1.825 1.00 0.00 C ATOM 220 C TYR A 17 8.827 -17.689 -2.106 1.00 0.00 C ATOM 221 O TYR A 17 9.248 -16.590 -2.469 1.00 0.00 O ATOM 222 CB TYR A 17 6.552 -17.859 -3.134 1.00 0.00 C ATOM 223 CG TYR A 17 6.448 -19.198 -3.827 1.00 0.00 C ATOM 224 CD1 TYR A 17 7.491 -19.682 -4.608 1.00 0.00 C ATOM 225 CD2 TYR A 17 5.308 -19.982 -3.701 1.00 0.00 C ATOM 226 CE1 TYR A 17 7.400 -20.905 -5.244 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.209 -21.207 -4.332 1.00 0.00 C ATOM 228 CZ TYR A 17 6.257 -21.663 -5.102 1.00 0.00 C ATOM 229 OH TYR A 17 6.164 -22.883 -5.733 1.00 0.00 O ATOM 0 H TYR A 17 6.205 -16.223 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 17 7.218 -18.888 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.548 -17.487 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.025 -17.146 -3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.388 -19.092 -4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.484 -19.627 -3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.219 -21.265 -5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.316 -21.804 -4.222 1.00 0.00 H new ATOM 0 HH TYR A 17 5.296 -23.291 -5.531 1.00 0.00 H new ATOM 239 N THR A 18 9.615 -18.746 -1.937 1.00 0.00 N ATOM 240 CA THR A 18 11.052 -18.672 -2.172 1.00 0.00 C ATOM 241 C THR A 18 11.429 -19.342 -3.488 1.00 0.00 C ATOM 242 O THR A 18 12.104 -18.747 -4.327 1.00 0.00 O ATOM 243 CB THR A 18 11.842 -19.334 -1.027 1.00 0.00 C ATOM 244 OG1 THR A 18 13.248 -19.171 -1.244 1.00 0.00 O ATOM 245 CG2 THR A 18 11.509 -20.815 -0.925 1.00 0.00 C ATOM 0 H THR A 18 9.283 -19.663 -1.638 1.00 0.00 H new ATOM 0 HA THR A 18 11.311 -17.614 -2.219 1.00 0.00 H new ATOM 0 HB THR A 18 11.560 -18.849 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.743 -19.593 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.079 -21.261 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.443 -20.936 -0.731 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.766 -21.311 -1.861 1.00 0.00 H new ATOM 253 N ASN A 19 10.987 -20.583 -3.663 1.00 0.00 N ATOM 254 CA ASN A 19 11.279 -21.334 -4.879 1.00 0.00 C ATOM 255 C ASN A 19 10.349 -22.537 -5.012 1.00 0.00 C ATOM 256 O ASN A 19 9.446 -22.730 -4.197 1.00 0.00 O ATOM 257 CB ASN A 19 12.736 -21.800 -4.879 1.00 0.00 C ATOM 258 CG ASN A 19 13.258 -22.069 -6.277 1.00 0.00 C ATOM 259 OD1 ASN A 19 12.794 -21.474 -7.250 1.00 0.00 O ATOM 260 ND2 ASN A 19 14.228 -22.969 -6.384 1.00 0.00 N ATOM 0 H ASN A 19 10.426 -21.090 -2.979 1.00 0.00 H new ATOM 0 HA ASN A 19 11.116 -20.674 -5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.357 -21.042 -4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.824 -22.707 -4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.619 -23.191 -7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.583 -23.438 -5.551 1.00 0.00 H new ATOM 267 N LEU A 20 10.577 -23.343 -6.043 1.00 0.00 N ATOM 268 CA LEU A 20 9.761 -24.528 -6.283 1.00 0.00 C ATOM 269 C LEU A 20 9.995 -25.578 -5.203 1.00 0.00 C ATOM 270 O LEU A 20 9.157 -25.778 -4.324 1.00 0.00 O ATOM 271 CB LEU A 20 10.074 -25.116 -7.660 1.00 0.00 C ATOM 272 CG LEU A 20 9.515 -24.352 -8.860 1.00 0.00 C ATOM 273 CD1 LEU A 20 10.519 -23.319 -9.349 1.00 0.00 C ATOM 274 CD2 LEU A 20 9.148 -25.313 -9.981 1.00 0.00 C ATOM 0 H LEU A 20 11.320 -23.198 -6.726 1.00 0.00 H new ATOM 0 HA LEU A 20 8.713 -24.230 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.157 -25.180 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.690 -26.136 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 20 8.611 -23.831 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.104 -22.785 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.733 -22.612 -8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.440 -23.820 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.752 -24.751 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.036 -25.863 -10.294 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.393 -26.015 -9.626 1.00 0.00 H new ATOM 286 N VAL A 21 11.142 -26.247 -5.273 1.00 0.00 N ATOM 287 CA VAL A 21 11.489 -27.275 -4.299 1.00 0.00 C ATOM 288 C VAL A 21 10.947 -26.928 -2.917 1.00 0.00 C ATOM 289 O VAL A 21 10.324 -27.759 -2.256 1.00 0.00 O ATOM 290 CB VAL A 21 13.014 -27.469 -4.207 1.00 0.00 C ATOM 291 CG1 VAL A 21 13.688 -26.187 -3.741 1.00 0.00 C ATOM 292 CG2 VAL A 21 13.349 -28.625 -3.277 1.00 0.00 C ATOM 0 H VAL A 21 11.847 -26.095 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 21 11.032 -28.203 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 21 13.393 -27.710 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.765 -26.343 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.476 -25.386 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.307 -25.912 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.431 -28.748 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.958 -28.416 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.898 -29.541 -3.658 1.00 0.00 H new ATOM 302 N THR A 22 11.189 -25.694 -2.486 1.00 0.00 N ATOM 303 CA THR A 22 10.726 -25.236 -1.182 1.00 0.00 C ATOM 304 C THR A 22 9.213 -25.044 -1.172 1.00 0.00 C ATOM 305 O THR A 22 8.497 -25.716 -0.431 1.00 0.00 O ATOM 306 CB THR A 22 11.403 -23.913 -0.778 1.00 0.00 C ATOM 307 OG1 THR A 22 12.804 -23.972 -1.065 1.00 0.00 O ATOM 308 CG2 THR A 22 11.194 -23.628 0.702 1.00 0.00 C ATOM 0 H THR A 22 11.703 -24.994 -3.021 1.00 0.00 H new ATOM 0 HA THR A 22 10.996 -26.008 -0.462 1.00 0.00 H new ATOM 0 HB THR A 22 10.949 -23.107 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.227 -23.126 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.681 -22.689 0.964 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.127 -23.554 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.624 -24.437 1.293 1.00 0.00 H new ATOM 316 N GLY A 23 8.733 -24.121 -2.000 1.00 0.00 N ATOM 317 CA GLY A 23 7.308 -23.857 -2.070 1.00 0.00 C ATOM 318 C GLY A 23 6.917 -22.586 -1.343 1.00 0.00 C ATOM 319 O GLY A 23 6.994 -21.493 -1.904 1.00 0.00 O ATOM 0 H GLY A 23 9.306 -23.552 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.007 -23.782 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.764 -24.699 -1.641 1.00 0.00 H new ATOM 323 N TRP A 24 6.494 -22.729 -0.092 1.00 0.00 N ATOM 324 CA TRP A 24 6.087 -21.583 0.713 1.00 0.00 C ATOM 325 C TRP A 24 6.831 -21.560 2.043 1.00 0.00 C ATOM 326 O TRP A 24 6.948 -22.584 2.716 1.00 0.00 O ATOM 327 CB TRP A 24 4.578 -21.616 0.959 1.00 0.00 C ATOM 328 CG TRP A 24 3.769 -21.342 -0.272 1.00 0.00 C ATOM 329 CD1 TRP A 24 3.543 -22.197 -1.313 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.079 -20.128 -0.592 1.00 0.00 C ATOM 331 NE1 TRP A 24 2.756 -21.588 -2.260 1.00 0.00 N ATOM 332 CE2 TRP A 24 2.457 -20.319 -1.841 1.00 0.00 C ATOM 333 CE3 TRP A 24 2.926 -18.900 0.056 1.00 0.00 C ATOM 334 CZ2 TRP A 24 1.696 -19.326 -2.452 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.170 -17.915 -0.552 1.00 0.00 C ATOM 336 CH2 TRP A 24 1.562 -18.133 -1.795 1.00 0.00 C ATOM 0 H TRP A 24 6.424 -23.627 0.387 1.00 0.00 H new ATOM 0 HA TRP A 24 6.338 -20.677 0.162 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.303 -22.593 1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.325 -20.880 1.722 1.00 0.00 H new ATOM 0 HD1 TRP A 24 3.927 -23.204 -1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.445 -22.012 -3.134 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.390 -18.723 1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.228 -19.491 -3.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.046 -16.961 -0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.976 -17.344 -2.244 1.00 0.00 H new ATOM 347 N GLN A 25 7.331 -20.387 2.417 1.00 0.00 N ATOM 348 CA GLN A 25 8.065 -20.233 3.668 1.00 0.00 C ATOM 349 C GLN A 25 7.459 -19.123 4.521 1.00 0.00 C ATOM 350 O GLN A 25 7.119 -18.053 4.015 1.00 0.00 O ATOM 351 CB GLN A 25 9.537 -19.930 3.386 1.00 0.00 C ATOM 352 CG GLN A 25 10.317 -21.128 2.869 1.00 0.00 C ATOM 353 CD GLN A 25 11.811 -20.991 3.087 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.458 -20.177 2.261 1.00 0.00 O flip ATOM 355 NE2 GLN A 25 12.377 -21.609 3.989 1.00 0.00 N flip ATOM 0 H GLN A 25 7.241 -19.529 1.872 1.00 0.00 H new ATOM 0 HA GLN A 25 7.994 -21.170 4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.600 -19.123 2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.007 -19.569 4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.962 -22.030 3.368 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.119 -21.253 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.840 -22.224 4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.383 -21.506 4.125 1.00 0.00 H new ATOM 364 N TYR A 26 7.327 -19.385 5.816 1.00 0.00 N ATOM 365 CA TYR A 26 6.759 -18.409 6.739 1.00 0.00 C ATOM 366 C TYR A 26 7.669 -17.191 6.872 1.00 0.00 C ATOM 367 O TYR A 26 8.892 -17.305 6.791 1.00 0.00 O ATOM 368 CB TYR A 26 6.536 -19.045 8.112 1.00 0.00 C ATOM 369 CG TYR A 26 5.328 -19.952 8.171 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.046 -19.447 7.985 1.00 0.00 C ATOM 371 CD2 TYR A 26 5.467 -21.313 8.411 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.940 -20.272 8.038 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.366 -22.146 8.464 1.00 0.00 C ATOM 374 CZ TYR A 26 3.105 -21.620 8.278 1.00 0.00 C ATOM 375 OH TYR A 26 2.005 -22.446 8.330 1.00 0.00 O ATOM 0 H TYR A 26 7.605 -20.265 6.251 1.00 0.00 H new ATOM 0 HA TYR A 26 5.800 -18.081 6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.423 -19.617 8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.423 -18.255 8.855 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.913 -18.392 7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.453 -21.727 8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.951 -19.864 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.492 -23.202 8.650 1.00 0.00 H new ATOM 0 HH TYR A 26 2.294 -23.366 8.506 1.00 0.00 H new ATOM 385 N ARG A 27 7.062 -16.027 7.077 1.00 0.00 N ATOM 386 CA ARG A 27 7.815 -14.787 7.220 1.00 0.00 C ATOM 387 C ARG A 27 6.940 -13.684 7.807 1.00 0.00 C ATOM 388 O ARG A 27 5.770 -13.549 7.449 1.00 0.00 O ATOM 389 CB ARG A 27 8.373 -14.345 5.866 1.00 0.00 C ATOM 390 CG ARG A 27 9.525 -13.359 5.974 1.00 0.00 C ATOM 391 CD ARG A 27 10.864 -14.074 6.057 1.00 0.00 C ATOM 392 NE ARG A 27 11.292 -14.587 4.758 1.00 0.00 N ATOM 393 CZ ARG A 27 12.332 -15.396 4.594 1.00 0.00 C ATOM 394 NH1 ARG A 27 13.047 -15.783 5.642 1.00 0.00 N ATOM 395 NH2 ARG A 27 12.660 -15.821 3.380 1.00 0.00 N ATOM 0 H ARG A 27 6.050 -15.917 7.148 1.00 0.00 H new ATOM 0 HA ARG A 27 8.644 -14.971 7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.709 -15.224 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.571 -13.892 5.283 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.519 -12.695 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.389 -12.735 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.618 -13.388 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.791 -14.898 6.766 1.00 0.00 H new ATOM 0 HE ARG A 27 10.763 -14.308 3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.798 -15.459 6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.845 -16.405 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.113 -15.526 2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.459 -16.442 3.256 1.00 0.00 H new ATOM 409 N PHE A 28 7.515 -12.898 8.712 1.00 0.00 N ATOM 410 CA PHE A 28 6.787 -11.808 9.350 1.00 0.00 C ATOM 411 C PHE A 28 6.784 -10.565 8.465 1.00 0.00 C ATOM 412 O PHE A 28 7.777 -10.255 7.806 1.00 0.00 O ATOM 413 CB PHE A 28 7.408 -11.478 10.709 1.00 0.00 C ATOM 414 CG PHE A 28 6.718 -10.355 11.427 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.335 -10.302 11.491 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.452 -9.351 12.040 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.697 -9.268 12.151 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.819 -8.316 12.701 1.00 0.00 C ATOM 419 CZ PHE A 28 5.440 -8.275 12.758 1.00 0.00 C ATOM 0 H PHE A 28 8.483 -12.996 9.020 1.00 0.00 H new ATOM 0 HA PHE A 28 5.756 -12.130 9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.384 -12.369 11.336 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.457 -11.217 10.566 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.749 -11.077 11.020 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.531 -9.378 12.000 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.618 -9.237 12.192 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.403 -7.539 13.173 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.944 -7.468 13.276 1.00 0.00 H new ATOM 429 N PHE A 29 5.660 -9.856 8.455 1.00 0.00 N ATOM 430 CA PHE A 29 5.525 -8.648 7.650 1.00 0.00 C ATOM 431 C PHE A 29 4.948 -7.504 8.479 1.00 0.00 C ATOM 432 O PHE A 29 4.342 -7.726 9.528 1.00 0.00 O ATOM 433 CB PHE A 29 4.632 -8.914 6.436 1.00 0.00 C ATOM 434 CG PHE A 29 5.250 -9.844 5.431 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.210 -11.216 5.620 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.869 -9.345 4.296 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.778 -12.073 4.697 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.439 -10.198 3.369 1.00 0.00 C ATOM 439 CZ PHE A 29 6.392 -11.563 3.569 1.00 0.00 C ATOM 0 H PHE A 29 4.829 -10.097 8.996 1.00 0.00 H new ATOM 0 HA PHE A 29 6.518 -8.359 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.686 -9.336 6.776 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.402 -7.966 5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.729 -11.620 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.907 -8.278 4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.742 -13.140 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.920 -9.797 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.834 -12.231 2.845 1.00 0.00 H new ATOM 449 N VAL A 30 5.140 -6.279 8.000 1.00 0.00 N ATOM 450 CA VAL A 30 4.638 -5.099 8.695 1.00 0.00 C ATOM 451 C VAL A 30 4.365 -3.961 7.719 1.00 0.00 C ATOM 452 O VAL A 30 5.273 -3.476 7.043 1.00 0.00 O ATOM 453 CB VAL A 30 5.633 -4.614 9.767 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.133 -3.334 10.419 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.863 -5.698 10.809 1.00 0.00 C ATOM 0 H VAL A 30 5.639 -6.078 7.134 1.00 0.00 H new ATOM 0 HA VAL A 30 3.706 -5.389 9.179 1.00 0.00 H new ATOM 0 HB VAL A 30 6.586 -4.399 9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.848 -3.006 11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.024 -2.558 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.168 -3.519 10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.568 -5.339 11.558 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.917 -5.946 11.290 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.269 -6.587 10.326 1.00 0.00 H new ATOM 465 N LEU A 31 3.108 -3.537 7.650 1.00 0.00 N ATOM 466 CA LEU A 31 2.713 -2.454 6.756 1.00 0.00 C ATOM 467 C LEU A 31 2.970 -1.095 7.401 1.00 0.00 C ATOM 468 O LEU A 31 2.826 -0.935 8.612 1.00 0.00 O ATOM 469 CB LEU A 31 1.235 -2.584 6.386 1.00 0.00 C ATOM 470 CG LEU A 31 0.604 -1.370 5.704 1.00 0.00 C ATOM 471 CD1 LEU A 31 0.945 -1.352 4.222 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.904 -1.369 5.906 1.00 0.00 C ATOM 0 H LEU A 31 2.344 -3.927 8.203 1.00 0.00 H new ATOM 0 HA LEU A 31 3.315 -2.526 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.120 -3.445 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.671 -2.799 7.294 1.00 0.00 H new ATOM 0 HG LEU A 31 1.013 -0.468 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.487 -0.481 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.027 -1.304 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.566 -2.259 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.336 -0.498 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.329 -2.276 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.128 -1.332 6.972 1.00 0.00 H new ATOM 484 N ASN A 32 3.348 -0.119 6.582 1.00 0.00 N ATOM 485 CA ASN A 32 3.623 1.227 7.072 1.00 0.00 C ATOM 486 C ASN A 32 2.646 2.234 6.471 1.00 0.00 C ATOM 487 O ASN A 32 2.597 2.417 5.256 1.00 0.00 O ATOM 488 CB ASN A 32 5.060 1.631 6.737 1.00 0.00 C ATOM 489 CG ASN A 32 6.047 1.188 7.799 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.743 0.327 8.625 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.237 1.777 7.782 1.00 0.00 N ATOM 0 H ASN A 32 3.471 -0.235 5.576 1.00 0.00 H new ATOM 0 HA ASN A 32 3.497 1.226 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.343 1.196 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.113 2.714 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.943 1.521 8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.445 2.486 7.079 1.00 0.00 H new ATOM 498 N ASN A 33 1.872 2.885 7.333 1.00 0.00 N ATOM 499 CA ASN A 33 0.897 3.875 6.889 1.00 0.00 C ATOM 500 C ASN A 33 1.522 5.265 6.828 1.00 0.00 C ATOM 501 O ASN A 33 1.201 6.062 5.947 1.00 0.00 O ATOM 502 CB ASN A 33 -0.312 3.887 7.826 1.00 0.00 C ATOM 503 CG ASN A 33 -1.011 5.232 7.850 1.00 0.00 C ATOM 504 OD1 ASN A 33 -1.673 5.618 6.886 1.00 0.00 O ATOM 505 ND2 ASN A 33 -0.868 5.953 8.956 1.00 0.00 N ATOM 0 H ASN A 33 1.901 2.745 8.343 1.00 0.00 H new ATOM 0 HA ASN A 33 0.568 3.600 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.019 3.119 7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.011 3.630 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.316 6.866 9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.310 5.594 9.731 1.00 0.00 H new ATOM 512 N GLU A 34 2.415 5.548 7.771 1.00 0.00 N ATOM 513 CA GLU A 34 3.084 6.843 7.825 1.00 0.00 C ATOM 514 C GLU A 34 4.087 6.984 6.684 1.00 0.00 C ATOM 515 O GLU A 34 4.204 8.047 6.074 1.00 0.00 O ATOM 516 CB GLU A 34 3.795 7.019 9.168 1.00 0.00 C ATOM 517 CG GLU A 34 4.572 8.320 9.280 1.00 0.00 C ATOM 518 CD GLU A 34 4.753 8.770 10.717 1.00 0.00 C ATOM 519 OE1 GLU A 34 5.470 8.079 11.470 1.00 0.00 O ATOM 520 OE2 GLU A 34 4.176 9.814 11.088 1.00 0.00 O ATOM 0 H GLU A 34 2.692 4.899 8.507 1.00 0.00 H new ATOM 0 HA GLU A 34 2.327 7.620 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.057 6.977 9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.478 6.183 9.320 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.551 8.195 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.052 9.099 8.722 1.00 0.00 H new ATOM 527 N ALA A 35 4.810 5.905 6.402 1.00 0.00 N ATOM 528 CA ALA A 35 5.803 5.908 5.334 1.00 0.00 C ATOM 529 C ALA A 35 5.201 5.409 4.025 1.00 0.00 C ATOM 530 O ALA A 35 5.370 6.029 2.976 1.00 0.00 O ATOM 531 CB ALA A 35 7.001 5.056 5.725 1.00 0.00 C ATOM 0 H ALA A 35 4.727 5.018 6.898 1.00 0.00 H new ATOM 0 HA ALA A 35 6.136 6.935 5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.734 5.067 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.453 5.458 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.676 4.031 5.905 1.00 0.00 H new ATOM 537 N GLY A 36 4.498 4.282 4.093 1.00 0.00 N ATOM 538 CA GLY A 36 3.883 3.718 2.906 1.00 0.00 C ATOM 539 C GLY A 36 4.757 2.674 2.240 1.00 0.00 C ATOM 540 O GLY A 36 4.731 2.519 1.018 1.00 0.00 O ATOM 0 H GLY A 36 4.344 3.750 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.927 3.269 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.672 4.517 2.196 1.00 0.00 H new ATOM 544 N LEU A 37 5.534 1.957 3.043 1.00 0.00 N ATOM 545 CA LEU A 37 6.422 0.922 2.525 1.00 0.00 C ATOM 546 C LEU A 37 6.145 -0.420 3.195 1.00 0.00 C ATOM 547 O LEU A 37 5.937 -0.489 4.407 1.00 0.00 O ATOM 548 CB LEU A 37 7.883 1.321 2.741 1.00 0.00 C ATOM 549 CG LEU A 37 8.508 2.196 1.654 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.605 3.072 2.238 1.00 0.00 C ATOM 551 CD2 LEU A 37 9.055 1.335 0.525 1.00 0.00 C ATOM 0 H LEU A 37 5.568 2.073 4.056 1.00 0.00 H new ATOM 0 HA LEU A 37 6.234 0.819 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.958 1.849 3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.477 0.412 2.834 1.00 0.00 H new ATOM 0 HG LEU A 37 7.732 2.844 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.038 3.687 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.184 3.715 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.381 2.442 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.496 1.975 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.816 0.661 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.245 0.752 0.087 1.00 0.00 H new ATOM 563 N LEU A 38 6.146 -1.484 2.400 1.00 0.00 N ATOM 564 CA LEU A 38 5.897 -2.825 2.917 1.00 0.00 C ATOM 565 C LEU A 38 7.206 -3.583 3.118 1.00 0.00 C ATOM 566 O LEU A 38 7.878 -3.946 2.154 1.00 0.00 O ATOM 567 CB LEU A 38 4.988 -3.600 1.962 1.00 0.00 C ATOM 568 CG LEU A 38 4.698 -5.053 2.342 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.575 -5.122 3.366 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.345 -5.867 1.106 1.00 0.00 C ATOM 0 H LEU A 38 6.316 -1.444 1.395 1.00 0.00 H new ATOM 0 HA LEU A 38 5.402 -2.729 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.039 -3.069 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.441 -3.588 0.971 1.00 0.00 H new ATOM 0 HG LEU A 38 5.597 -5.479 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.382 -6.163 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.865 -4.573 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.672 -4.679 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.142 -6.898 1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.461 -5.442 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.179 -5.845 0.405 1.00 0.00 H new ATOM 582 N GLU A 39 7.559 -3.819 4.378 1.00 0.00 N ATOM 583 CA GLU A 39 8.787 -4.535 4.705 1.00 0.00 C ATOM 584 C GLU A 39 8.475 -5.893 5.328 1.00 0.00 C ATOM 585 O GLU A 39 7.318 -6.209 5.608 1.00 0.00 O ATOM 586 CB GLU A 39 9.646 -3.707 5.663 1.00 0.00 C ATOM 587 CG GLU A 39 9.478 -2.207 5.490 1.00 0.00 C ATOM 588 CD GLU A 39 10.570 -1.414 6.180 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.976 -1.806 7.294 1.00 0.00 O ATOM 590 OE2 GLU A 39 11.020 -0.400 5.606 1.00 0.00 O ATOM 0 H GLU A 39 7.013 -3.525 5.188 1.00 0.00 H new ATOM 0 HA GLU A 39 9.341 -4.697 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.394 -3.976 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.694 -3.966 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.476 -1.966 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.509 -1.906 5.888 1.00 0.00 H new ATOM 597 N TYR A 40 9.515 -6.691 5.542 1.00 0.00 N ATOM 598 CA TYR A 40 9.353 -8.016 6.129 1.00 0.00 C ATOM 599 C TYR A 40 10.659 -8.499 6.753 1.00 0.00 C ATOM 600 O TYR A 40 11.746 -8.195 6.260 1.00 0.00 O ATOM 601 CB TYR A 40 8.882 -9.013 5.069 1.00 0.00 C ATOM 602 CG TYR A 40 9.987 -9.491 4.155 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.785 -10.574 4.504 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.232 -8.861 2.941 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.796 -11.014 3.672 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.240 -9.295 2.102 1.00 0.00 C ATOM 607 CZ TYR A 40 12.020 -10.372 2.472 1.00 0.00 C ATOM 608 OH TYR A 40 13.025 -10.808 1.639 1.00 0.00 O ATOM 0 H TYR A 40 10.479 -6.444 5.318 1.00 0.00 H new ATOM 0 HA TYR A 40 8.600 -7.948 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.434 -9.874 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.100 -8.549 4.468 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.612 -11.080 5.442 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.624 -8.018 2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.408 -11.856 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.417 -8.794 1.162 1.00 0.00 H new ATOM 0 HH TYR A 40 13.049 -10.249 0.835 1.00 0.00 H new ATOM 618 N PHE A 41 10.544 -9.254 7.841 1.00 0.00 N ATOM 619 CA PHE A 41 11.715 -9.779 8.533 1.00 0.00 C ATOM 620 C PHE A 41 11.548 -11.266 8.832 1.00 0.00 C ATOM 621 O PHE A 41 10.435 -11.793 8.818 1.00 0.00 O ATOM 622 CB PHE A 41 11.952 -9.010 9.834 1.00 0.00 C ATOM 623 CG PHE A 41 11.674 -7.539 9.720 1.00 0.00 C ATOM 624 CD1 PHE A 41 10.372 -7.070 9.642 1.00 0.00 C ATOM 625 CD2 PHE A 41 12.714 -6.623 9.691 1.00 0.00 C ATOM 626 CE1 PHE A 41 10.114 -5.717 9.536 1.00 0.00 C ATOM 627 CE2 PHE A 41 12.461 -5.269 9.586 1.00 0.00 C ATOM 628 CZ PHE A 41 11.159 -4.815 9.509 1.00 0.00 C ATOM 0 H PHE A 41 9.652 -9.516 8.262 1.00 0.00 H new ATOM 0 HA PHE A 41 12.579 -9.652 7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.320 -9.431 10.616 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.986 -9.153 10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.550 -7.770 9.664 1.00 0.00 H new ATOM 0 HD2 PHE A 41 13.734 -6.972 9.751 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.095 -5.365 9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.281 -4.566 9.564 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.959 -3.757 9.428 1.00 0.00 H new ATOM 638 N VAL A 42 12.663 -11.939 9.101 1.00 0.00 N ATOM 639 CA VAL A 42 12.641 -13.365 9.403 1.00 0.00 C ATOM 640 C VAL A 42 11.739 -13.660 10.596 1.00 0.00 C ATOM 641 O VAL A 42 11.120 -14.721 10.671 1.00 0.00 O ATOM 642 CB VAL A 42 14.056 -13.897 9.699 1.00 0.00 C ATOM 643 CG1 VAL A 42 13.983 -15.233 10.423 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.858 -14.022 8.413 1.00 0.00 C ATOM 0 H VAL A 42 13.592 -11.519 9.116 1.00 0.00 H new ATOM 0 HA VAL A 42 12.248 -13.870 8.521 1.00 0.00 H new ATOM 0 HB VAL A 42 14.564 -13.185 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.992 -15.594 10.624 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.448 -15.108 11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.457 -15.956 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.855 -14.399 8.641 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.355 -14.712 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.940 -13.044 7.939 1.00 0.00 H new ATOM 654 N ASN A 43 11.668 -12.714 11.526 1.00 0.00 N ATOM 655 CA ASN A 43 10.841 -12.872 12.717 1.00 0.00 C ATOM 656 C ASN A 43 10.715 -11.552 13.471 1.00 0.00 C ATOM 657 O ASN A 43 11.547 -10.658 13.320 1.00 0.00 O ATOM 658 CB ASN A 43 11.432 -13.943 13.635 1.00 0.00 C ATOM 659 CG ASN A 43 10.374 -14.636 14.472 1.00 0.00 C ATOM 660 OD1 ASN A 43 10.087 -14.223 15.596 1.00 0.00 O ATOM 661 ND2 ASN A 43 9.788 -15.695 13.926 1.00 0.00 N ATOM 0 H ASN A 43 12.173 -11.829 11.478 1.00 0.00 H new ATOM 0 HA ASN A 43 9.846 -13.184 12.399 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.958 -14.684 13.033 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.170 -13.486 14.294 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.068 -16.202 14.441 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.058 -16.002 12.991 1.00 0.00 H new ATOM 668 N GLU A 44 9.669 -11.439 14.284 1.00 0.00 N ATOM 669 CA GLU A 44 9.435 -10.228 15.062 1.00 0.00 C ATOM 670 C GLU A 44 10.693 -9.817 15.820 1.00 0.00 C ATOM 671 O GLU A 44 11.057 -8.641 15.847 1.00 0.00 O ATOM 672 CB GLU A 44 8.281 -10.441 16.044 1.00 0.00 C ATOM 673 CG GLU A 44 6.917 -10.110 15.462 1.00 0.00 C ATOM 674 CD GLU A 44 5.824 -10.088 16.512 1.00 0.00 C ATOM 675 OE1 GLU A 44 5.272 -11.166 16.816 1.00 0.00 O ATOM 676 OE2 GLU A 44 5.520 -8.993 17.030 1.00 0.00 O ATOM 0 H GLU A 44 8.971 -12.170 14.421 1.00 0.00 H new ATOM 0 HA GLU A 44 9.171 -9.428 14.370 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.283 -11.480 16.374 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.449 -9.825 16.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.962 -9.138 14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.665 -10.844 14.696 1.00 0.00 H new ATOM 683 N GLN A 45 11.352 -10.793 16.436 1.00 0.00 N ATOM 684 CA GLN A 45 12.568 -10.533 17.196 1.00 0.00 C ATOM 685 C GLN A 45 13.566 -9.730 16.368 1.00 0.00 C ATOM 686 O GLN A 45 14.424 -9.035 16.914 1.00 0.00 O ATOM 687 CB GLN A 45 13.204 -11.848 17.648 1.00 0.00 C ATOM 688 CG GLN A 45 12.657 -12.367 18.968 1.00 0.00 C ATOM 689 CD GLN A 45 13.370 -11.776 20.168 1.00 0.00 C ATOM 690 OE1 GLN A 45 14.145 -10.828 20.039 1.00 0.00 O ATOM 691 NE2 GLN A 45 13.112 -12.334 21.345 1.00 0.00 N ATOM 0 H GLN A 45 11.064 -11.771 16.423 1.00 0.00 H new ATOM 0 HA GLN A 45 12.298 -9.948 18.075 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.046 -12.602 16.877 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.281 -11.708 17.741 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.594 -12.136 19.032 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.750 -13.453 18.994 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.463 -13.118 21.406 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.563 -11.978 22.188 1.00 0.00 H new ATOM 700 N SER A 46 13.448 -9.830 15.048 1.00 0.00 N ATOM 701 CA SER A 46 14.342 -9.116 14.144 1.00 0.00 C ATOM 702 C SER A 46 13.727 -7.790 13.706 1.00 0.00 C ATOM 703 O SER A 46 13.808 -7.413 12.537 1.00 0.00 O ATOM 704 CB SER A 46 14.656 -9.976 12.918 1.00 0.00 C ATOM 705 OG SER A 46 15.431 -11.108 13.274 1.00 0.00 O ATOM 0 H SER A 46 12.742 -10.399 14.581 1.00 0.00 H new ATOM 0 HA SER A 46 15.268 -8.907 14.679 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.727 -10.300 12.450 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.194 -9.381 12.180 1.00 0.00 H new ATOM 0 HG SER A 46 15.617 -11.642 12.474 1.00 0.00 H new ATOM 711 N ARG A 47 13.113 -7.089 14.653 1.00 0.00 N ATOM 712 CA ARG A 47 12.483 -5.806 14.365 1.00 0.00 C ATOM 713 C ARG A 47 13.492 -4.667 14.478 1.00 0.00 C ATOM 714 O ARG A 47 13.428 -3.692 13.730 1.00 0.00 O ATOM 715 CB ARG A 47 11.314 -5.562 15.322 1.00 0.00 C ATOM 716 CG ARG A 47 9.986 -6.093 14.808 1.00 0.00 C ATOM 717 CD ARG A 47 9.245 -5.046 13.991 1.00 0.00 C ATOM 718 NE ARG A 47 8.957 -3.846 14.772 1.00 0.00 N ATOM 719 CZ ARG A 47 8.151 -2.875 14.357 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.556 -2.963 13.175 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.938 -1.814 15.125 1.00 0.00 N ATOM 0 H ARG A 47 13.038 -7.387 15.626 1.00 0.00 H new ATOM 0 HA ARG A 47 12.107 -5.836 13.342 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.536 -6.030 16.281 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.222 -4.491 15.504 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.159 -6.978 14.196 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.367 -6.404 15.650 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.842 -4.777 13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.312 -5.470 13.620 1.00 0.00 H new ATOM 0 HE ARG A 47 9.399 -3.748 15.686 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.717 -3.778 12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.938 -2.216 12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.393 -1.743 16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.319 -1.069 14.805 1.00 0.00 H new ATOM 735 N ASN A 48 14.422 -4.798 15.418 1.00 0.00 N ATOM 736 CA ASN A 48 15.445 -3.779 15.629 1.00 0.00 C ATOM 737 C ASN A 48 16.616 -3.978 14.672 1.00 0.00 C ATOM 738 O ASN A 48 17.764 -3.695 15.014 1.00 0.00 O ATOM 739 CB ASN A 48 15.941 -3.818 17.076 1.00 0.00 C ATOM 740 CG ASN A 48 14.812 -4.007 18.070 1.00 0.00 C ATOM 741 OD1 ASN A 48 13.658 -3.690 17.783 1.00 0.00 O ATOM 742 ND2 ASN A 48 15.141 -4.527 19.247 1.00 0.00 N ATOM 0 H ASN A 48 14.489 -5.599 16.046 1.00 0.00 H new ATOM 0 HA ASN A 48 14.999 -2.804 15.431 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.660 -4.629 17.189 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.468 -2.891 17.301 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.424 -4.678 19.956 1.00 0.00 H new ATOM 0 HD22 ASN A 48 16.111 -4.775 19.442 1.00 0.00 H new ATOM 749 N GLN A 49 16.317 -4.465 13.472 1.00 0.00 N ATOM 750 CA GLN A 49 17.345 -4.702 12.466 1.00 0.00 C ATOM 751 C GLN A 49 16.806 -4.438 11.064 1.00 0.00 C ATOM 752 O GLN A 49 15.600 -4.509 10.828 1.00 0.00 O ATOM 753 CB GLN A 49 17.864 -6.137 12.564 1.00 0.00 C ATOM 754 CG GLN A 49 19.148 -6.374 11.784 1.00 0.00 C ATOM 755 CD GLN A 49 19.567 -7.831 11.780 1.00 0.00 C ATOM 756 OE1 GLN A 49 20.613 -8.190 12.322 1.00 0.00 O ATOM 757 NE2 GLN A 49 18.750 -8.681 11.168 1.00 0.00 N ATOM 0 H GLN A 49 15.371 -4.703 13.173 1.00 0.00 H new ATOM 0 HA GLN A 49 18.168 -4.012 12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 49 18.035 -6.382 13.612 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.096 -6.818 12.199 1.00 0.00 H new ATOM 0 HG2 GLN A 49 19.012 -6.036 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.947 -5.771 12.215 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.893 -8.340 10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.979 -9.674 11.134 1.00 0.00 H new ATOM 766 N LYS A 50 17.707 -4.133 10.137 1.00 0.00 N ATOM 767 CA LYS A 50 17.323 -3.859 8.757 1.00 0.00 C ATOM 768 C LYS A 50 16.372 -4.930 8.234 1.00 0.00 C ATOM 769 O LYS A 50 16.602 -6.129 8.393 1.00 0.00 O ATOM 770 CB LYS A 50 18.565 -3.785 7.865 1.00 0.00 C ATOM 771 CG LYS A 50 18.323 -3.076 6.544 1.00 0.00 C ATOM 772 CD LYS A 50 18.274 -1.568 6.720 1.00 0.00 C ATOM 773 CE LYS A 50 18.438 -0.846 5.391 1.00 0.00 C ATOM 774 NZ LYS A 50 17.899 0.541 5.443 1.00 0.00 N ATOM 0 H LYS A 50 18.709 -4.069 10.316 1.00 0.00 H new ATOM 0 HA LYS A 50 16.809 -2.898 8.734 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.359 -3.269 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.920 -4.796 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.114 -3.335 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.385 -3.423 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.325 -1.284 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.062 -1.255 7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.494 -0.815 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.926 -1.405 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.030 0.999 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.886 0.511 5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.405 1.083 6.172 1.00 0.00 H new ATOM 788 N PRO A 51 15.279 -4.491 7.592 1.00 0.00 N ATOM 789 CA PRO A 51 14.273 -5.397 7.031 1.00 0.00 C ATOM 790 C PRO A 51 14.794 -6.164 5.821 1.00 0.00 C ATOM 791 O PRO A 51 15.464 -5.598 4.957 1.00 0.00 O ATOM 792 CB PRO A 51 13.138 -4.455 6.619 1.00 0.00 C ATOM 793 CG PRO A 51 13.801 -3.141 6.388 1.00 0.00 C ATOM 794 CD PRO A 51 14.942 -3.075 7.366 1.00 0.00 C ATOM 0 HA PRO A 51 13.972 -6.164 7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.637 -4.809 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.380 -4.384 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.161 -3.061 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.103 -2.319 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.788 -2.520 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.650 -2.579 8.291 1.00 0.00 H new ATOM 802 N ARG A 52 14.482 -7.454 5.764 1.00 0.00 N ATOM 803 CA ARG A 52 14.920 -8.299 4.660 1.00 0.00 C ATOM 804 C ARG A 52 14.691 -7.605 3.320 1.00 0.00 C ATOM 805 O ARG A 52 15.582 -7.557 2.473 1.00 0.00 O ATOM 806 CB ARG A 52 14.178 -9.636 4.687 1.00 0.00 C ATOM 807 CG ARG A 52 14.893 -10.713 5.486 1.00 0.00 C ATOM 808 CD ARG A 52 14.650 -10.553 6.978 1.00 0.00 C ATOM 809 NE ARG A 52 15.773 -11.045 7.772 1.00 0.00 N ATOM 810 CZ ARG A 52 16.958 -10.446 7.818 1.00 0.00 C ATOM 811 NH1 ARG A 52 17.173 -9.339 7.122 1.00 0.00 N ATOM 812 NH2 ARG A 52 17.931 -10.955 8.564 1.00 0.00 N ATOM 0 H ARG A 52 13.927 -7.937 6.470 1.00 0.00 H new ATOM 0 HA ARG A 52 15.988 -8.482 4.777 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.185 -9.482 5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.040 -9.986 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.549 -11.696 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.963 -10.668 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.478 -9.501 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.745 -11.092 7.258 1.00 0.00 H new ATOM 0 HE ARG A 52 15.640 -11.894 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.427 -8.944 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.084 -8.882 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.769 -11.806 9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.841 -10.495 8.599 1.00 0.00 H new ATOM 826 N GLY A 53 13.489 -7.067 3.136 1.00 0.00 N ATOM 827 CA GLY A 53 13.163 -6.383 1.898 1.00 0.00 C ATOM 828 C GLY A 53 11.999 -5.425 2.054 1.00 0.00 C ATOM 829 O GLY A 53 11.167 -5.586 2.947 1.00 0.00 O ATOM 0 H GLY A 53 12.735 -7.093 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.037 -5.834 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.923 -7.120 1.132 1.00 0.00 H new ATOM 833 N THR A 54 11.940 -4.422 1.183 1.00 0.00 N ATOM 834 CA THR A 54 10.872 -3.432 1.229 1.00 0.00 C ATOM 835 C THR A 54 10.249 -3.230 -0.148 1.00 0.00 C ATOM 836 O THR A 54 10.933 -3.315 -1.168 1.00 0.00 O ATOM 837 CB THR A 54 11.384 -2.076 1.752 1.00 0.00 C ATOM 838 OG1 THR A 54 12.334 -1.525 0.834 1.00 0.00 O ATOM 839 CG2 THR A 54 12.025 -2.232 3.122 1.00 0.00 C ATOM 0 H THR A 54 12.620 -4.274 0.437 1.00 0.00 H new ATOM 0 HA THR A 54 10.116 -3.815 1.914 1.00 0.00 H new ATOM 0 HB THR A 54 10.533 -1.401 1.842 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.654 -0.663 1.172 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.379 -1.262 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.290 -2.624 3.825 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.866 -2.922 3.054 1.00 0.00 H new ATOM 847 N LEU A 55 8.948 -2.962 -0.170 1.00 0.00 N ATOM 848 CA LEU A 55 8.232 -2.747 -1.423 1.00 0.00 C ATOM 849 C LEU A 55 7.294 -1.550 -1.316 1.00 0.00 C ATOM 850 O LEU A 55 6.466 -1.478 -0.408 1.00 0.00 O ATOM 851 CB LEU A 55 7.439 -3.999 -1.801 1.00 0.00 C ATOM 852 CG LEU A 55 6.518 -3.869 -3.015 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.300 -4.076 -4.302 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.368 -4.862 -2.921 1.00 0.00 C ATOM 0 H LEU A 55 8.367 -2.888 0.665 1.00 0.00 H new ATOM 0 HA LEU A 55 8.966 -2.541 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.144 -4.808 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.836 -4.296 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 55 6.101 -2.862 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.629 -3.980 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.088 -3.326 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.745 -5.071 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.723 -4.755 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.765 -5.876 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.791 -4.666 -2.017 1.00 0.00 H new ATOM 866 N GLN A 56 7.429 -0.613 -2.249 1.00 0.00 N ATOM 867 CA GLN A 56 6.592 0.581 -2.260 1.00 0.00 C ATOM 868 C GLN A 56 5.151 0.232 -2.617 1.00 0.00 C ATOM 869 O GLN A 56 4.899 -0.542 -3.541 1.00 0.00 O ATOM 870 CB GLN A 56 7.142 1.606 -3.253 1.00 0.00 C ATOM 871 CG GLN A 56 8.146 2.569 -2.639 1.00 0.00 C ATOM 872 CD GLN A 56 8.977 3.289 -3.683 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.477 3.653 -4.748 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.253 3.500 -3.382 1.00 0.00 N ATOM 0 H GLN A 56 8.110 -0.658 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 56 6.605 1.012 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.616 1.079 -4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.312 2.176 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.616 3.303 -2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.807 2.020 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.625 3.181 -2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.861 3.981 -4.045 1.00 0.00 H new ATOM 883 N LEU A 57 4.208 0.807 -1.878 1.00 0.00 N ATOM 884 CA LEU A 57 2.791 0.557 -2.117 1.00 0.00 C ATOM 885 C LEU A 57 2.185 1.650 -2.990 1.00 0.00 C ATOM 886 O LEU A 57 1.319 1.384 -3.823 1.00 0.00 O ATOM 887 CB LEU A 57 2.037 0.473 -0.789 1.00 0.00 C ATOM 888 CG LEU A 57 2.257 -0.801 0.028 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.610 -0.675 1.399 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.707 -2.011 -0.713 1.00 0.00 C ATOM 0 H LEU A 57 4.399 1.449 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 57 2.699 -0.394 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.324 1.328 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.971 0.571 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 57 3.329 -0.940 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.777 -1.591 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.050 0.167 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.539 -0.511 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.872 -2.909 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.638 -1.879 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.216 -2.113 -1.671 1.00 0.00 H new ATOM 902 N ALA A 58 2.647 2.881 -2.795 1.00 0.00 N ATOM 903 CA ALA A 58 2.153 4.014 -3.568 1.00 0.00 C ATOM 904 C ALA A 58 2.080 3.676 -5.053 1.00 0.00 C ATOM 905 O ALA A 58 3.104 3.564 -5.726 1.00 0.00 O ATOM 906 CB ALA A 58 3.039 5.231 -3.345 1.00 0.00 C ATOM 0 H ALA A 58 3.363 3.119 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 58 1.144 4.244 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.659 6.070 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.037 5.494 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.057 5.002 -3.660 1.00 0.00 H new ATOM 912 N GLY A 59 0.861 3.512 -5.559 1.00 0.00 N ATOM 913 CA GLY A 59 0.677 3.187 -6.961 1.00 0.00 C ATOM 914 C GLY A 59 0.786 1.699 -7.230 1.00 0.00 C ATOM 915 O GLY A 59 1.303 1.285 -8.267 1.00 0.00 O ATOM 0 H GLY A 59 -0.002 3.599 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.301 3.542 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.423 3.716 -7.554 1.00 0.00 H new ATOM 919 N ALA A 60 0.298 0.893 -6.293 1.00 0.00 N ATOM 920 CA ALA A 60 0.342 -0.558 -6.434 1.00 0.00 C ATOM 921 C ALA A 60 -1.035 -1.119 -6.773 1.00 0.00 C ATOM 922 O ALA A 60 -2.027 -0.390 -6.788 1.00 0.00 O ATOM 923 CB ALA A 60 0.876 -1.196 -5.161 1.00 0.00 C ATOM 0 H ALA A 60 -0.132 1.220 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 60 1.015 -0.798 -7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.903 -2.279 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.883 -0.827 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.225 -0.940 -4.325 1.00 0.00 H new ATOM 929 N VAL A 61 -1.089 -2.419 -7.044 1.00 0.00 N ATOM 930 CA VAL A 61 -2.345 -3.078 -7.382 1.00 0.00 C ATOM 931 C VAL A 61 -2.478 -4.411 -6.655 1.00 0.00 C ATOM 932 O VAL A 61 -1.552 -5.222 -6.649 1.00 0.00 O ATOM 933 CB VAL A 61 -2.462 -3.318 -8.899 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.532 -4.359 -9.193 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.761 -2.015 -9.623 1.00 0.00 C ATOM 0 H VAL A 61 -0.277 -3.037 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.148 -2.413 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.508 -3.699 -9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.601 -4.516 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.270 -5.298 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.493 -4.010 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.840 -2.204 -10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.701 -1.603 -9.257 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.956 -1.303 -9.439 1.00 0.00 H new ATOM 945 N ILE A 62 -3.638 -4.632 -6.044 1.00 0.00 N ATOM 946 CA ILE A 62 -3.893 -5.868 -5.315 1.00 0.00 C ATOM 947 C ILE A 62 -4.862 -6.765 -6.078 1.00 0.00 C ATOM 948 O ILE A 62 -6.005 -6.385 -6.335 1.00 0.00 O ATOM 949 CB ILE A 62 -4.466 -5.587 -3.914 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.443 -4.832 -3.063 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.870 -6.888 -3.236 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.368 -3.354 -3.377 1.00 0.00 C ATOM 0 H ILE A 62 -4.415 -3.971 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.935 -6.377 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.354 -4.964 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.694 -4.959 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.459 -5.277 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.273 -6.673 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.629 -7.390 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.998 -7.534 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.623 -2.883 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.087 -3.218 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.341 -2.895 -3.200 1.00 0.00 H new ATOM 964 N SER A 63 -4.399 -7.959 -6.435 1.00 0.00 N ATOM 965 CA SER A 63 -5.224 -8.910 -7.170 1.00 0.00 C ATOM 966 C SER A 63 -5.225 -10.273 -6.483 1.00 0.00 C ATOM 967 O SER A 63 -4.368 -11.121 -6.730 1.00 0.00 O ATOM 968 CB SER A 63 -4.720 -9.051 -8.607 1.00 0.00 C ATOM 969 OG SER A 63 -5.458 -10.034 -9.313 1.00 0.00 O ATOM 0 H SER A 63 -3.457 -8.290 -6.227 1.00 0.00 H new ATOM 0 HA SER A 63 -6.245 -8.530 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.802 -8.093 -9.120 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.664 -9.320 -8.600 1.00 0.00 H new ATOM 0 HG SER A 63 -5.117 -10.104 -10.229 1.00 0.00 H new ATOM 975 N PRO A 64 -6.209 -10.488 -5.598 1.00 0.00 N ATOM 976 CA PRO A 64 -6.347 -11.745 -4.857 1.00 0.00 C ATOM 977 C PRO A 64 -6.767 -12.904 -5.754 1.00 0.00 C ATOM 978 O PRO A 64 -7.651 -12.759 -6.599 1.00 0.00 O ATOM 979 CB PRO A 64 -7.443 -11.436 -3.834 1.00 0.00 C ATOM 980 CG PRO A 64 -8.240 -10.339 -4.453 1.00 0.00 C ATOM 981 CD PRO A 64 -7.265 -9.521 -5.253 1.00 0.00 C ATOM 0 HA PRO A 64 -5.404 -12.059 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.061 -12.313 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.018 -11.126 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.028 -10.741 -5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.726 -9.731 -3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.730 -9.100 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.871 -8.686 -4.674 1.00 0.00 H new ATOM 989 N SER A 65 -6.127 -14.054 -5.566 1.00 0.00 N ATOM 990 CA SER A 65 -6.433 -15.238 -6.361 1.00 0.00 C ATOM 991 C SER A 65 -7.675 -15.945 -5.828 1.00 0.00 C ATOM 992 O SER A 65 -8.300 -15.488 -4.871 1.00 0.00 O ATOM 993 CB SER A 65 -5.244 -16.200 -6.360 1.00 0.00 C ATOM 994 OG SER A 65 -5.218 -16.981 -7.542 1.00 0.00 O ATOM 0 H SER A 65 -5.394 -14.191 -4.870 1.00 0.00 H new ATOM 0 HA SER A 65 -6.631 -14.917 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.316 -15.635 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.302 -16.854 -5.490 1.00 0.00 H new ATOM 0 HG SER A 65 -4.316 -17.341 -7.677 1.00 0.00 H new ATOM 1000 N ASP A 66 -8.026 -17.063 -6.454 1.00 0.00 N ATOM 1001 CA ASP A 66 -9.193 -17.835 -6.043 1.00 0.00 C ATOM 1002 C ASP A 66 -8.849 -19.316 -5.922 1.00 0.00 C ATOM 1003 O ASP A 66 -9.369 -20.014 -5.053 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.335 -17.644 -7.042 1.00 0.00 C ATOM 1005 CG ASP A 66 -10.537 -16.190 -7.420 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -11.304 -15.496 -6.720 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -9.928 -15.746 -8.415 1.00 0.00 O ATOM 0 H ASP A 66 -7.519 -17.455 -7.248 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.512 -17.473 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.128 -18.225 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.257 -18.037 -6.614 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.969 -19.788 -6.800 1.00 0.00 N ATOM 1013 CA GLU A 67 -7.558 -21.187 -6.792 1.00 0.00 C ATOM 1014 C GLU A 67 -7.413 -21.703 -5.363 1.00 0.00 C ATOM 1015 O GLU A 67 -7.850 -22.809 -5.044 1.00 0.00 O ATOM 1016 CB GLU A 67 -6.236 -21.357 -7.544 1.00 0.00 C ATOM 1017 CG GLU A 67 -5.114 -20.484 -7.008 1.00 0.00 C ATOM 1018 CD GLU A 67 -3.882 -20.510 -7.891 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -3.254 -21.584 -8.000 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.545 -19.458 -8.472 1.00 0.00 O ATOM 0 H GLU A 67 -7.528 -19.222 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.331 -21.769 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.929 -22.402 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.394 -21.125 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.469 -19.458 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.845 -20.819 -6.006 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.797 -20.894 -4.508 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.595 -21.267 -3.113 1.00 0.00 C ATOM 1029 C ASP A 68 -7.394 -20.358 -2.185 1.00 0.00 C ATOM 1030 O ASP A 68 -7.811 -19.268 -2.577 1.00 0.00 O ATOM 1031 CB ASP A 68 -5.109 -21.202 -2.756 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.357 -22.450 -3.173 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -4.446 -22.826 -4.361 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.681 -23.052 -2.313 1.00 0.00 O ATOM 0 H ASP A 68 -6.429 -19.976 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.948 -22.290 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.660 -20.333 -3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.003 -21.060 -1.681 1.00 0.00 H new ATOM 1039 N SER A 69 -7.606 -20.814 -0.955 1.00 0.00 N ATOM 1040 CA SER A 69 -8.360 -20.044 0.027 1.00 0.00 C ATOM 1041 C SER A 69 -7.601 -18.782 0.426 1.00 0.00 C ATOM 1042 O SER A 69 -8.054 -17.665 0.173 1.00 0.00 O ATOM 1043 CB SER A 69 -8.644 -20.896 1.266 1.00 0.00 C ATOM 1044 OG SER A 69 -7.475 -21.567 1.702 1.00 0.00 O ATOM 0 H SER A 69 -7.266 -21.713 -0.615 1.00 0.00 H new ATOM 0 HA SER A 69 -9.306 -19.750 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.024 -20.263 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.422 -21.625 1.040 1.00 0.00 H new ATOM 0 HG SER A 69 -7.682 -22.103 2.496 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.444 -18.968 1.053 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.621 -17.846 1.488 1.00 0.00 C ATOM 1052 C HIS A 70 -4.516 -17.558 0.476 1.00 0.00 C ATOM 1053 O HIS A 70 -3.539 -18.303 0.379 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.010 -18.135 2.860 1.00 0.00 C ATOM 1055 CG HIS A 70 -5.862 -19.016 3.721 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.206 -19.167 3.777 1.00 0.00 N flip ATOM 1057 CD2 HIS A 70 -5.342 -19.875 4.666 1.00 0.00 C flip ATOM 1058 CE1 HIS A 70 -7.470 -20.106 4.744 1.00 0.00 C flip ATOM 1059 NE2 HIS A 70 -6.328 -20.517 5.265 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.055 -19.885 1.271 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.260 -16.966 1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.037 -18.606 2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.838 -17.192 3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.292 -20.003 4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.452 -20.452 5.032 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.225 -21.212 6.004 1.00 0.00 H new ATOM 1068 N THR A 71 -4.676 -16.474 -0.276 1.00 0.00 N ATOM 1069 CA THR A 71 -3.693 -16.090 -1.281 1.00 0.00 C ATOM 1070 C THR A 71 -3.962 -14.683 -1.803 1.00 0.00 C ATOM 1071 O THR A 71 -5.107 -14.233 -1.844 1.00 0.00 O ATOM 1072 CB THR A 71 -3.689 -17.072 -2.468 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.042 -18.385 -2.018 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.323 -17.110 -3.135 1.00 0.00 C ATOM 0 H THR A 71 -5.477 -15.846 -0.208 1.00 0.00 H new ATOM 0 HA THR A 71 -2.718 -16.115 -0.795 1.00 0.00 H new ATOM 0 HB THR A 71 -4.422 -16.728 -3.198 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.426 -18.665 -1.309 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.345 -17.810 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.070 -16.115 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.574 -17.432 -2.412 1.00 0.00 H new ATOM 1082 N PHE A 72 -2.899 -13.991 -2.201 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.020 -12.634 -2.720 1.00 0.00 C ATOM 1084 C PHE A 72 -1.672 -12.119 -3.217 1.00 0.00 C ATOM 1085 O PHE A 72 -0.620 -12.504 -2.705 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.569 -11.699 -1.639 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.693 -11.611 -0.422 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.835 -12.518 0.616 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.729 -10.622 -0.316 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -2.032 -12.438 1.738 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -0.922 -10.538 0.803 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.073 -11.448 1.831 1.00 0.00 C ATOM 0 H PHE A 72 -1.944 -14.348 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.714 -12.654 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.693 -10.702 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.559 -12.044 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.581 -13.296 0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.606 -9.908 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.154 -13.149 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.174 -9.762 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.443 -11.386 2.706 1.00 0.00 H new ATOM 1102 N THR A 73 -1.712 -11.246 -4.218 1.00 0.00 N ATOM 1103 CA THR A 73 -0.495 -10.679 -4.786 1.00 0.00 C ATOM 1104 C THR A 73 -0.494 -9.159 -4.677 1.00 0.00 C ATOM 1105 O THR A 73 -1.507 -8.507 -4.932 1.00 0.00 O ATOM 1106 CB THR A 73 -0.328 -11.076 -6.265 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.532 -10.796 -6.987 1.00 0.00 O ATOM 1108 CG2 THR A 73 0.014 -12.553 -6.393 1.00 0.00 C ATOM 0 H THR A 73 -2.574 -10.916 -4.652 1.00 0.00 H new ATOM 0 HA THR A 73 0.339 -11.082 -4.212 1.00 0.00 H new ATOM 0 HB THR A 73 0.491 -10.491 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.417 -11.050 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.127 -12.810 -7.446 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.947 -12.757 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.787 -13.151 -5.957 1.00 0.00 H new ATOM 1116 N VAL A 74 0.650 -8.598 -4.297 1.00 0.00 N ATOM 1117 CA VAL A 74 0.783 -7.153 -4.156 1.00 0.00 C ATOM 1118 C VAL A 74 1.727 -6.583 -5.209 1.00 0.00 C ATOM 1119 O VAL A 74 2.946 -6.687 -5.087 1.00 0.00 O ATOM 1120 CB VAL A 74 1.303 -6.771 -2.757 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.603 -5.282 -2.687 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.297 -7.171 -1.689 1.00 0.00 C ATOM 0 H VAL A 74 1.498 -9.123 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.211 -6.729 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 74 2.231 -7.313 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.969 -5.031 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.362 -5.029 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.693 -4.718 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.680 -6.894 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.648 -6.658 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.137 -8.249 -1.725 1.00 0.00 H new ATOM 1132 N ASN A 75 1.153 -5.979 -6.245 1.00 0.00 N ATOM 1133 CA ASN A 75 1.942 -5.392 -7.321 1.00 0.00 C ATOM 1134 C ASN A 75 2.606 -4.096 -6.864 1.00 0.00 C ATOM 1135 O ASN A 75 2.435 -3.669 -5.723 1.00 0.00 O ATOM 1136 CB ASN A 75 1.060 -5.123 -8.542 1.00 0.00 C ATOM 1137 CG ASN A 75 0.868 -6.359 -9.400 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.534 -6.529 -10.421 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.047 -7.229 -8.987 1.00 0.00 N ATOM 0 H ASN A 75 0.144 -5.884 -6.362 1.00 0.00 H new ATOM 0 HA ASN A 75 2.722 -6.103 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.087 -4.759 -8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.508 -4.332 -9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.221 -8.079 -9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.576 -7.047 -8.134 1.00 0.00 H new ATOM 1146 N ALA A 76 3.362 -3.475 -7.764 1.00 0.00 N ATOM 1147 CA ALA A 76 4.048 -2.227 -7.455 1.00 0.00 C ATOM 1148 C ALA A 76 4.166 -1.344 -8.692 1.00 0.00 C ATOM 1149 O ALA A 76 4.357 -1.839 -9.803 1.00 0.00 O ATOM 1150 CB ALA A 76 5.425 -2.513 -6.874 1.00 0.00 C ATOM 0 H ALA A 76 3.515 -3.816 -8.713 1.00 0.00 H new ATOM 0 HA ALA A 76 3.457 -1.690 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.927 -1.572 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.320 -3.097 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.016 -3.074 -7.598 1.00 0.00 H new ATOM 1156 N ALA A 77 4.052 -0.036 -8.493 1.00 0.00 N ATOM 1157 CA ALA A 77 4.147 0.916 -9.593 1.00 0.00 C ATOM 1158 C ALA A 77 5.411 0.682 -10.414 1.00 0.00 C ATOM 1159 O ALA A 77 5.366 0.649 -11.643 1.00 0.00 O ATOM 1160 CB ALA A 77 4.117 2.342 -9.062 1.00 0.00 C ATOM 0 H ALA A 77 3.894 0.390 -7.580 1.00 0.00 H new ATOM 0 HA ALA A 77 3.287 0.765 -10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.189 3.042 -9.895 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.183 2.511 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.957 2.496 -8.385 1.00 0.00 H new ATOM 1166 N SER A 78 6.536 0.520 -9.726 1.00 0.00 N ATOM 1167 CA SER A 78 7.813 0.293 -10.392 1.00 0.00 C ATOM 1168 C SER A 78 7.736 -0.917 -11.317 1.00 0.00 C ATOM 1169 O SER A 78 8.140 -0.853 -12.478 1.00 0.00 O ATOM 1170 CB SER A 78 8.922 0.088 -9.358 1.00 0.00 C ATOM 1171 OG SER A 78 9.276 1.313 -8.740 1.00 0.00 O ATOM 0 H SER A 78 6.589 0.542 -8.708 1.00 0.00 H new ATOM 0 HA SER A 78 8.043 1.173 -10.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.591 -0.622 -8.601 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.798 -0.346 -9.841 1.00 0.00 H new ATOM 0 HG SER A 78 9.985 1.155 -8.082 1.00 0.00 H new ATOM 1177 N GLY A 79 7.213 -2.022 -10.794 1.00 0.00 N ATOM 1178 CA GLY A 79 7.091 -3.232 -11.586 1.00 0.00 C ATOM 1179 C GLY A 79 7.518 -4.470 -10.822 1.00 0.00 C ATOM 1180 O GLY A 79 8.345 -5.246 -11.299 1.00 0.00 O ATOM 0 H GLY A 79 6.872 -2.101 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.057 -3.348 -11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.699 -3.136 -12.486 1.00 0.00 H new ATOM 1184 N GLU A 80 6.953 -4.654 -9.633 1.00 0.00 N ATOM 1185 CA GLU A 80 7.283 -5.806 -8.801 1.00 0.00 C ATOM 1186 C GLU A 80 6.026 -6.399 -8.171 1.00 0.00 C ATOM 1187 O GLU A 80 5.072 -5.682 -7.872 1.00 0.00 O ATOM 1188 CB GLU A 80 8.275 -5.406 -7.708 1.00 0.00 C ATOM 1189 CG GLU A 80 8.536 -6.504 -6.691 1.00 0.00 C ATOM 1190 CD GLU A 80 9.585 -7.494 -7.158 1.00 0.00 C ATOM 1191 OE1 GLU A 80 9.536 -7.897 -8.339 1.00 0.00 O ATOM 1192 OE2 GLU A 80 10.456 -7.866 -6.344 1.00 0.00 O ATOM 0 H GLU A 80 6.265 -4.021 -9.224 1.00 0.00 H new ATOM 0 HA GLU A 80 7.741 -6.563 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.219 -5.121 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.896 -4.525 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.858 -6.055 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.606 -7.035 -6.488 1.00 0.00 H new ATOM 1199 N GLN A 81 6.035 -7.714 -7.974 1.00 0.00 N ATOM 1200 CA GLN A 81 4.895 -8.404 -7.380 1.00 0.00 C ATOM 1201 C GLN A 81 5.331 -9.245 -6.185 1.00 0.00 C ATOM 1202 O GLN A 81 6.424 -9.812 -6.178 1.00 0.00 O ATOM 1203 CB GLN A 81 4.211 -9.291 -8.422 1.00 0.00 C ATOM 1204 CG GLN A 81 3.019 -10.060 -7.876 1.00 0.00 C ATOM 1205 CD GLN A 81 2.754 -11.344 -8.639 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.905 -11.386 -9.530 1.00 0.00 O ATOM 1207 NE2 GLN A 81 3.481 -12.399 -8.292 1.00 0.00 N ATOM 0 H GLN A 81 6.817 -8.322 -8.216 1.00 0.00 H new ATOM 0 HA GLN A 81 4.187 -7.652 -7.032 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.882 -8.671 -9.256 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.939 -9.999 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.193 -10.295 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.133 -9.427 -7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.174 -12.319 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.347 -13.290 -8.770 1.00 0.00 H new ATOM 1216 N TYR A 82 4.469 -9.322 -5.177 1.00 0.00 N ATOM 1217 CA TYR A 82 4.766 -10.092 -3.975 1.00 0.00 C ATOM 1218 C TYR A 82 3.752 -11.216 -3.784 1.00 0.00 C ATOM 1219 O TYR A 82 2.545 -10.977 -3.732 1.00 0.00 O ATOM 1220 CB TYR A 82 4.771 -9.180 -2.748 1.00 0.00 C ATOM 1221 CG TYR A 82 6.122 -8.567 -2.455 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.895 -8.022 -3.473 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.625 -8.532 -1.160 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.130 -7.461 -3.210 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.858 -7.972 -0.888 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.607 -7.438 -1.916 1.00 0.00 C ATOM 1227 OH TYR A 82 9.836 -6.880 -1.649 1.00 0.00 O ATOM 0 H TYR A 82 3.559 -8.861 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 82 5.755 -10.535 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.044 -8.382 -2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.445 -9.752 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.524 -8.037 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.042 -8.950 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.719 -7.043 -4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.234 -7.952 0.124 1.00 0.00 H new ATOM 0 HH TYR A 82 10.023 -6.944 -0.689 1.00 0.00 H new ATOM 1237 N LYS A 83 4.251 -12.443 -3.678 1.00 0.00 N ATOM 1238 CA LYS A 83 3.391 -13.605 -3.490 1.00 0.00 C ATOM 1239 C LYS A 83 3.346 -14.017 -2.022 1.00 0.00 C ATOM 1240 O LYS A 83 4.228 -14.728 -1.539 1.00 0.00 O ATOM 1241 CB LYS A 83 3.886 -14.775 -4.344 1.00 0.00 C ATOM 1242 CG LYS A 83 2.784 -15.735 -4.758 1.00 0.00 C ATOM 1243 CD LYS A 83 3.158 -16.503 -6.015 1.00 0.00 C ATOM 1244 CE LYS A 83 1.927 -16.866 -6.832 1.00 0.00 C ATOM 1245 NZ LYS A 83 1.156 -15.660 -7.239 1.00 0.00 N ATOM 0 H LYS A 83 5.247 -12.658 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 83 2.383 -13.334 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.369 -14.382 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.645 -15.325 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.587 -16.436 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.862 -15.180 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.835 -15.902 -6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.696 -17.411 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.231 -17.419 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.286 -17.527 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.663 -15.849 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.459 -15.429 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.806 -14.858 -7.364 1.00 0.00 H new ATOM 1259 N LEU A 84 2.313 -13.567 -1.318 1.00 0.00 N ATOM 1260 CA LEU A 84 2.152 -13.891 0.095 1.00 0.00 C ATOM 1261 C LEU A 84 0.946 -14.799 0.313 1.00 0.00 C ATOM 1262 O LEU A 84 0.228 -15.129 -0.631 1.00 0.00 O ATOM 1263 CB LEU A 84 1.995 -12.610 0.917 1.00 0.00 C ATOM 1264 CG LEU A 84 3.029 -11.514 0.657 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.742 -10.294 1.517 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.435 -12.035 0.918 1.00 0.00 C ATOM 0 H LEU A 84 1.575 -12.977 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 84 3.046 -14.421 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.004 -12.199 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.033 -12.874 1.974 1.00 0.00 H new ATOM 0 HG LEU A 84 2.961 -11.218 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.488 -9.525 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.751 -9.907 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.781 -10.574 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.158 -11.242 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.516 -12.359 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.639 -12.878 0.258 1.00 0.00 H new ATOM 1278 N ARG A 85 0.729 -15.197 1.562 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.391 -16.066 1.903 1.00 0.00 C ATOM 1280 C ARG A 85 -0.941 -15.727 3.285 1.00 0.00 C ATOM 1281 O ARG A 85 -0.209 -15.732 4.274 1.00 0.00 O ATOM 1282 CB ARG A 85 0.043 -17.532 1.860 1.00 0.00 C ATOM 1283 CG ARG A 85 -0.990 -18.489 2.434 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.361 -19.818 2.823 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.368 -20.844 3.086 1.00 0.00 N ATOM 1286 CZ ARG A 85 -2.151 -21.362 2.147 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -2.045 -20.953 0.890 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -3.044 -22.291 2.464 1.00 0.00 N ATOM 0 H ARG A 85 1.314 -14.932 2.355 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.180 -15.906 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.250 -17.811 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.976 -17.643 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.460 -18.038 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.778 -18.659 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.299 -20.154 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.257 -19.681 3.710 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.475 -21.180 4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.361 -20.239 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.648 -21.353 0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.129 -22.608 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.645 -22.688 1.742 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.235 -15.431 3.345 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.884 -15.091 4.605 1.00 0.00 C ATOM 1304 C ALA A 86 -3.047 -16.323 5.489 1.00 0.00 C ATOM 1305 O ALA A 86 -3.009 -17.456 5.006 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.235 -14.442 4.346 1.00 0.00 C ATOM 0 H ALA A 86 -2.855 -15.420 2.535 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.248 -14.380 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.708 -14.194 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.096 -13.533 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.871 -15.134 3.794 1.00 0.00 H new ATOM 1312 N THR A 87 -3.230 -16.096 6.786 1.00 0.00 N ATOM 1313 CA THR A 87 -3.397 -17.188 7.737 1.00 0.00 C ATOM 1314 C THR A 87 -4.722 -17.910 7.517 1.00 0.00 C ATOM 1315 O THR A 87 -4.776 -19.140 7.514 1.00 0.00 O ATOM 1316 CB THR A 87 -3.337 -16.681 9.190 1.00 0.00 C ATOM 1317 OG1 THR A 87 -3.183 -17.786 10.088 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.597 -15.905 9.545 1.00 0.00 C ATOM 0 H THR A 87 -3.266 -15.165 7.202 1.00 0.00 H new ATOM 0 HA THR A 87 -2.575 -17.883 7.568 1.00 0.00 H new ATOM 0 HB THR A 87 -2.480 -16.014 9.284 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.144 -17.455 11.010 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.532 -15.557 10.576 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.697 -15.048 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.466 -16.553 9.435 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.787 -17.139 7.332 1.00 0.00 N ATOM 1327 CA ASP A 88 -7.112 -17.705 7.109 1.00 0.00 C ATOM 1328 C ASP A 88 -7.895 -16.876 6.096 1.00 0.00 C ATOM 1329 O ASP A 88 -7.719 -15.661 6.005 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.884 -17.785 8.427 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.540 -19.027 9.225 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -7.280 -20.079 8.604 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -7.530 -18.946 10.471 1.00 0.00 O ATOM 0 H ASP A 88 -5.759 -16.119 7.332 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.987 -18.711 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.667 -16.900 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.954 -17.775 8.219 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.759 -17.540 5.335 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.569 -16.865 4.329 1.00 0.00 C ATOM 1340 C ALA A 89 -10.108 -15.540 4.858 1.00 0.00 C ATOM 1341 O ALA A 89 -10.355 -14.608 4.093 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.713 -17.762 3.883 1.00 0.00 C ATOM 0 H ALA A 89 -8.916 -18.546 5.397 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.934 -16.652 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.309 -17.245 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.310 -18.681 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.341 -18.005 4.740 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.289 -15.463 6.172 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.799 -14.252 6.805 1.00 0.00 C ATOM 1350 C LYS A 90 -9.734 -13.160 6.827 1.00 0.00 C ATOM 1351 O LYS A 90 -10.004 -12.011 6.478 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.264 -14.554 8.231 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.456 -15.493 8.296 1.00 0.00 C ATOM 1354 CD LYS A 90 -13.080 -15.507 9.682 1.00 0.00 C ATOM 1355 CE LYS A 90 -14.278 -16.443 9.744 1.00 0.00 C ATOM 1356 NZ LYS A 90 -15.533 -15.766 9.315 1.00 0.00 N ATOM 0 H LYS A 90 -10.090 -16.225 6.820 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.647 -13.896 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.436 -14.992 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.522 -13.618 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.202 -15.186 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.141 -16.501 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.335 -15.818 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.391 -14.498 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.096 -17.308 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.396 -16.815 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.326 -16.437 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.721 -14.955 9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.430 -15.433 8.335 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.524 -13.527 7.237 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.420 -12.578 7.303 1.00 0.00 C ATOM 1372 C GLU A 91 -7.119 -11.996 5.925 1.00 0.00 C ATOM 1373 O GLU A 91 -6.855 -10.802 5.787 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.169 -13.255 7.867 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.912 -12.410 7.744 1.00 0.00 C ATOM 1376 CD GLU A 91 -3.900 -12.708 8.833 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -4.232 -12.515 10.021 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -2.775 -13.135 8.497 1.00 0.00 O ATOM 0 H GLU A 91 -8.284 -14.475 7.528 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.714 -11.764 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.336 -13.491 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.013 -14.201 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.455 -12.585 6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.183 -11.355 7.784 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.161 -12.850 4.907 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.891 -12.423 3.539 1.00 0.00 C ATOM 1387 C ARG A 92 -7.582 -11.096 3.238 1.00 0.00 C ATOM 1388 O ARG A 92 -6.936 -10.124 2.847 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.358 -13.490 2.548 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.959 -13.201 1.110 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.755 -14.049 0.130 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.157 -13.647 0.071 1.00 0.00 N ATOM 1393 CZ ARG A 92 -10.099 -14.352 -0.546 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -9.789 -15.489 -1.153 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.353 -13.920 -0.556 1.00 0.00 N ATOM 0 H ARG A 92 -7.379 -13.842 5.004 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.815 -12.285 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.945 -14.454 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.443 -13.577 2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.119 -12.145 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.894 -13.396 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.312 -13.967 -0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.691 -15.097 0.422 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.428 -12.777 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.826 -15.824 -1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.514 -16.029 -1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.595 -13.046 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.075 -14.462 -1.030 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.898 -11.065 3.423 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.676 -9.859 3.169 1.00 0.00 C ATOM 1411 C GLN A 93 -9.066 -8.657 3.884 1.00 0.00 C ATOM 1412 O GLN A 93 -8.944 -7.576 3.308 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.124 -10.055 3.622 1.00 0.00 C ATOM 1414 CG GLN A 93 -12.003 -10.724 2.577 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.622 -9.731 1.613 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -11.917 -9.052 0.866 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.947 -9.642 1.625 1.00 0.00 N ATOM 0 H GLN A 93 -9.447 -11.861 3.748 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.661 -9.667 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.133 -10.656 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.551 -9.085 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.409 -11.447 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -12.795 -11.281 3.077 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.492 -10.224 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.420 -8.991 0.998 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.685 -8.854 5.142 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.087 -7.787 5.936 1.00 0.00 C ATOM 1428 C HIS A 94 -6.857 -7.215 5.238 1.00 0.00 C ATOM 1429 O HIS A 94 -6.707 -5.998 5.123 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.707 -8.306 7.323 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.113 -7.257 8.212 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -7.874 -6.343 8.911 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.823 -6.982 8.517 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.077 -5.550 9.605 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.828 -5.916 9.384 1.00 0.00 N ATOM 0 H HIS A 94 -8.780 -9.743 5.633 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.824 -6.991 6.044 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.594 -8.718 7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.995 -9.124 7.214 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -8.892 -6.288 8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.952 -7.503 8.148 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.394 -4.740 10.245 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.981 -8.099 4.776 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.763 -7.681 4.091 1.00 0.00 C ATOM 1446 C TRP A 95 -5.088 -7.032 2.750 1.00 0.00 C ATOM 1447 O TRP A 95 -4.784 -5.860 2.526 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.836 -8.879 3.879 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.883 -9.100 5.015 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.835 -10.183 5.846 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.842 -8.215 5.445 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.827 -10.025 6.766 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.203 -8.826 6.541 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.388 -6.968 5.009 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.135 -8.230 7.206 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.328 -6.377 5.671 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.290 -7.008 6.759 1.00 0.00 C ATOM 0 H TRP A 95 -6.091 -9.109 4.863 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.258 -6.945 4.717 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.439 -9.776 3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.268 -8.732 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.493 -11.038 5.788 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.583 -10.692 7.498 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.856 -6.475 4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.342 -8.715 8.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.030 -5.412 5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.117 -6.521 7.254 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.709 -7.801 1.860 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.077 -7.299 0.542 1.00 0.00 C ATOM 1470 C VAL A 96 -6.683 -5.903 0.634 1.00 0.00 C ATOM 1471 O VAL A 96 -6.211 -4.967 -0.011 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.080 -8.237 -0.156 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.495 -7.668 -1.504 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.486 -9.628 -0.315 1.00 0.00 C ATOM 0 H VAL A 96 -5.967 -8.773 2.028 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.161 -7.256 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.971 -8.316 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.204 -8.344 -1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.964 -6.695 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.616 -7.557 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.208 -10.278 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.579 -9.570 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.245 -10.035 0.667 1.00 0.00 H new ATOM 1484 N SER A 97 -7.731 -5.771 1.441 1.00 0.00 N ATOM 1485 CA SER A 97 -8.404 -4.489 1.615 1.00 0.00 C ATOM 1486 C SER A 97 -7.447 -3.446 2.184 1.00 0.00 C ATOM 1487 O SER A 97 -7.112 -2.466 1.517 1.00 0.00 O ATOM 1488 CB SER A 97 -9.613 -4.646 2.540 1.00 0.00 C ATOM 1489 OG SER A 97 -10.463 -3.515 2.465 1.00 0.00 O ATOM 0 H SER A 97 -8.132 -6.535 1.984 1.00 0.00 H new ATOM 0 HA SER A 97 -8.745 -4.149 0.637 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.170 -5.542 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.274 -4.782 3.567 1.00 0.00 H new ATOM 0 HG SER A 97 -11.229 -3.641 3.064 1.00 0.00 H new ATOM 1495 N ARG A 98 -7.010 -3.664 3.420 1.00 0.00 N ATOM 1496 CA ARG A 98 -6.093 -2.743 4.079 1.00 0.00 C ATOM 1497 C ARG A 98 -5.083 -2.176 3.085 1.00 0.00 C ATOM 1498 O ARG A 98 -4.902 -0.961 2.993 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.359 -3.450 5.220 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.176 -3.555 6.498 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.280 -2.212 7.205 1.00 0.00 C ATOM 1502 NE ARG A 98 -6.583 -2.364 8.625 1.00 0.00 N ATOM 1503 CZ ARG A 98 -6.785 -1.340 9.447 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -6.718 -0.097 8.991 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -7.057 -1.558 10.727 1.00 0.00 N ATOM 0 H ARG A 98 -7.276 -4.470 3.985 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.677 -1.918 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.079 -4.452 4.895 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.434 -2.914 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.175 -3.922 6.263 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.717 -4.284 7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.342 -1.668 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.056 -1.612 6.731 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.643 -3.308 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.511 0.075 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.873 0.688 9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.111 -2.513 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.212 -0.771 11.357 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.429 -3.063 2.344 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.437 -2.651 1.357 1.00 0.00 C ATOM 1521 C LEU A 99 -4.085 -1.843 0.237 1.00 0.00 C ATOM 1522 O LEU A 99 -3.531 -0.844 -0.220 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.731 -3.876 0.773 1.00 0.00 C ATOM 1524 CG LEU A 99 -2.027 -4.788 1.779 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.933 -6.207 1.238 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.644 -4.249 2.111 1.00 0.00 C ATOM 0 H LEU A 99 -4.567 -4.072 2.408 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.703 -2.020 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.466 -4.469 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.995 -3.534 0.046 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.616 -4.809 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.429 -6.842 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.935 -6.593 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.367 -6.205 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.158 -4.911 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.046 -4.198 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.736 -3.252 2.542 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.263 -2.281 -0.196 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.987 -1.596 -1.261 1.00 0.00 C ATOM 1540 C GLN A 100 -6.357 -0.177 -0.842 1.00 0.00 C ATOM 1541 O GLN A 100 -6.555 0.697 -1.686 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.250 -2.377 -1.631 1.00 0.00 C ATOM 1543 CG GLN A 100 -7.003 -3.491 -2.636 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.226 -3.798 -3.477 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.044 -2.919 -3.749 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.357 -5.052 -3.896 1.00 0.00 N ATOM 0 H GLN A 100 -5.736 -3.106 0.173 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.334 -1.539 -2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.681 -2.804 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.988 -1.687 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.178 -3.209 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.695 -4.392 -2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.655 -5.749 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.160 -5.318 -4.467 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.448 0.044 0.465 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.793 1.357 0.994 1.00 0.00 C ATOM 1557 C ILE A 101 -5.567 2.262 1.063 1.00 0.00 C ATOM 1558 O ILE A 101 -5.578 3.379 0.545 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.418 1.252 2.398 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.660 0.358 2.361 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.770 2.635 2.926 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.216 0.040 3.731 1.00 0.00 C ATOM 0 H ILE A 101 -6.288 -0.669 1.176 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.524 1.790 0.311 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.689 0.802 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.433 0.848 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.412 -0.574 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.211 2.544 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.867 3.243 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.485 3.110 2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.095 -0.597 3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.459 -0.478 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.496 0.966 4.234 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.512 1.771 1.704 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.277 2.535 1.839 1.00 0.00 C ATOM 1576 C CYS A 102 -2.651 2.804 0.475 1.00 0.00 C ATOM 1577 O CYS A 102 -2.372 3.951 0.122 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.285 1.786 2.730 1.00 0.00 C ATOM 1579 SG CYS A 102 -1.165 2.862 3.656 1.00 0.00 S ATOM 0 H CYS A 102 -4.487 0.848 2.138 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.520 3.492 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.841 1.167 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.694 1.112 2.110 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.366 2.136 4.381 1.00 0.00 H new ATOM 1585 N THR A 103 -2.432 1.739 -0.290 1.00 0.00 N ATOM 1586 CA THR A 103 -1.836 1.860 -1.615 1.00 0.00 C ATOM 1587 C THR A 103 -2.431 3.037 -2.380 1.00 0.00 C ATOM 1588 O THR A 103 -1.721 3.747 -3.092 1.00 0.00 O ATOM 1589 CB THR A 103 -2.035 0.574 -2.440 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.256 0.635 -3.639 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.502 0.378 -2.792 1.00 0.00 C ATOM 0 H THR A 103 -2.658 0.783 -0.015 1.00 0.00 H new ATOM 0 HA THR A 103 -0.769 2.027 -1.467 1.00 0.00 H new ATOM 0 HB THR A 103 -1.706 -0.272 -1.837 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.355 0.956 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.617 -0.536 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.089 0.302 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.852 1.228 -3.378 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.735 3.238 -2.227 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.424 4.330 -2.905 1.00 0.00 C ATOM 1601 C GLN A 104 -4.317 5.622 -2.102 1.00 0.00 C ATOM 1602 O GLN A 104 -3.757 6.613 -2.572 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.895 3.974 -3.127 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.135 3.118 -4.360 1.00 0.00 C ATOM 1605 CD GLN A 104 -7.494 2.447 -4.349 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.342 2.750 -3.510 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -7.709 1.530 -5.285 1.00 0.00 N ATOM 0 H GLN A 104 -4.336 2.660 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.945 4.483 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.269 3.446 -2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.473 4.894 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.048 3.739 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.358 2.356 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.978 1.310 -5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.606 1.046 -5.328 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.857 5.605 -0.887 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.822 6.776 -0.018 1.00 0.00 C ATOM 1618 C HIS A 105 -3.470 7.478 -0.108 1.00 0.00 C ATOM 1619 O HIS A 105 -3.365 8.679 0.144 1.00 0.00 O ATOM 1620 CB HIS A 105 -5.105 6.372 1.429 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.758 7.452 2.235 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.985 7.993 1.915 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.348 8.091 3.356 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -7.301 8.919 2.802 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -6.324 8.998 3.688 1.00 0.00 N ATOM 0 H HIS A 105 -5.324 4.793 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.595 7.469 -0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.745 5.490 1.433 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.168 6.088 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.425 7.919 3.890 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.204 9.511 2.803 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.299 9.630 4.488 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.438 6.722 -0.467 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.093 7.272 -0.589 1.00 0.00 C ATOM 1636 C HIS A 106 -0.829 7.751 -2.014 1.00 0.00 C ATOM 1637 O HIS A 106 -0.389 8.880 -2.230 1.00 0.00 O ATOM 1638 CB HIS A 106 -0.052 6.225 -0.190 1.00 0.00 C ATOM 1639 CG HIS A 106 0.189 6.154 1.287 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.391 6.494 1.870 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.627 5.780 2.300 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.305 6.331 3.178 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.091 5.899 3.465 1.00 0.00 N ATOM 0 H HIS A 106 -2.507 5.727 -0.679 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.015 8.126 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.378 5.247 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.889 6.449 -0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.651 5.450 2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.094 6.519 3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -0.257 5.688 4.400 1.00 0.00 H new ATOM 1652 N THR A 107 -1.100 6.883 -2.984 1.00 0.00 N ATOM 1653 CA THR A 107 -0.890 7.216 -4.388 1.00 0.00 C ATOM 1654 C THR A 107 -1.662 8.472 -4.776 1.00 0.00 C ATOM 1655 O THR A 107 -1.237 9.226 -5.650 1.00 0.00 O ATOM 1656 CB THR A 107 -1.317 6.059 -5.310 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.600 6.128 -6.547 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.813 6.107 -5.581 1.00 0.00 C ATOM 0 H THR A 107 -1.465 5.944 -2.823 1.00 0.00 H new ATOM 0 HA THR A 107 0.178 7.395 -4.514 1.00 0.00 H new ATOM 0 HB THR A 107 -1.085 5.119 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.078 5.614 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.091 5.280 -6.234 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.356 6.024 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.065 7.051 -6.063 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.798 8.690 -4.120 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.628 9.855 -4.398 1.00 0.00 C ATOM 1668 C GLU A 108 -2.907 11.143 -4.011 1.00 0.00 C ATOM 1669 O GLU A 108 -2.774 12.060 -4.821 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.956 9.755 -3.643 1.00 0.00 C ATOM 1671 CG GLU A 108 -6.008 8.932 -4.368 1.00 0.00 C ATOM 1672 CD GLU A 108 -7.277 8.763 -3.556 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.265 7.967 -2.594 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -8.283 9.427 -3.884 1.00 0.00 O ATOM 0 H GLU A 108 -3.164 8.075 -3.393 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.828 9.879 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.775 9.315 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.345 10.759 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.249 9.412 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.598 7.950 -4.603 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.443 11.203 -2.768 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.733 12.377 -2.273 1.00 0.00 C ATOM 1683 C ALA A 109 -0.740 12.894 -3.308 1.00 0.00 C ATOM 1684 O ALA A 109 -0.583 14.103 -3.481 1.00 0.00 O ATOM 1685 CB ALA A 109 -1.019 12.051 -0.969 1.00 0.00 C ATOM 0 H ALA A 109 -2.546 10.453 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.465 13.163 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.493 12.936 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.749 11.736 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.303 11.247 -1.138 1.00 0.00 H new ATOM 1691 N ILE A 110 -0.071 11.972 -3.992 1.00 0.00 N ATOM 1692 CA ILE A 110 0.907 12.336 -5.009 1.00 0.00 C ATOM 1693 C ILE A 110 0.451 13.559 -5.798 1.00 0.00 C ATOM 1694 O ILE A 110 -0.466 13.478 -6.615 1.00 0.00 O ATOM 1695 CB ILE A 110 1.161 11.174 -5.988 1.00 0.00 C ATOM 1696 CG1 ILE A 110 1.854 10.015 -5.269 1.00 0.00 C ATOM 1697 CG2 ILE A 110 1.996 11.648 -7.168 1.00 0.00 C ATOM 1698 CD1 ILE A 110 1.959 8.760 -6.106 1.00 0.00 C ATOM 0 H ILE A 110 -0.189 10.967 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 110 1.834 12.569 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 110 0.202 10.821 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.855 10.329 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.307 9.787 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.167 10.816 -7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.467 12.444 -7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.954 12.025 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.461 7.981 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.960 8.421 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.532 8.972 -7.009 1.00 0.00 H new ATOM 1710 N GLY A 111 1.098 14.693 -5.548 1.00 0.00 N ATOM 1711 CA GLY A 111 0.746 15.917 -6.243 1.00 0.00 C ATOM 1712 C GLY A 111 0.620 17.101 -5.305 1.00 0.00 C ATOM 1713 O GLY A 111 1.047 18.209 -5.630 1.00 0.00 O ATOM 0 H GLY A 111 1.860 14.786 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 111 1.503 16.134 -6.997 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.197 15.773 -6.770 1.00 0.00 H new ATOM 1717 N LYS A 112 0.029 16.869 -4.138 1.00 0.00 N ATOM 1718 CA LYS A 112 -0.154 17.925 -3.149 1.00 0.00 C ATOM 1719 C LYS A 112 0.694 17.660 -1.908 1.00 0.00 C ATOM 1720 O LYS A 112 1.003 16.513 -1.590 1.00 0.00 O ATOM 1721 CB LYS A 112 -1.629 18.036 -2.758 1.00 0.00 C ATOM 1722 CG LYS A 112 -2.115 16.891 -1.886 1.00 0.00 C ATOM 1723 CD LYS A 112 -3.602 16.641 -2.072 1.00 0.00 C ATOM 1724 CE LYS A 112 -4.436 17.570 -1.204 1.00 0.00 C ATOM 1725 NZ LYS A 112 -5.757 16.973 -0.861 1.00 0.00 N ATOM 0 H LYS A 112 -0.332 15.958 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 112 0.169 18.866 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.786 18.976 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.234 18.074 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.560 15.985 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.911 17.118 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.868 16.784 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -3.832 15.605 -1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.891 17.797 -0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -4.589 18.515 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.295 17.637 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.288 16.780 -1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -5.612 16.085 -0.340 1.00 0.00 H new ATOM 1739 N ASN A 113 1.064 18.730 -1.211 1.00 0.00 N ATOM 1740 CA ASN A 113 1.874 18.612 -0.005 1.00 0.00 C ATOM 1741 C ASN A 113 0.993 18.536 1.238 1.00 0.00 C ATOM 1742 O ASN A 113 -0.135 19.028 1.243 1.00 0.00 O ATOM 1743 CB ASN A 113 2.832 19.800 0.109 1.00 0.00 C ATOM 1744 CG ASN A 113 2.104 21.130 0.142 1.00 0.00 C ATOM 1745 OD1 ASN A 113 1.313 21.394 1.049 1.00 0.00 O ATOM 1746 ND2 ASN A 113 2.366 21.974 -0.849 1.00 0.00 N ATOM 0 H ASN A 113 0.816 19.687 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 113 2.453 17.691 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.431 19.694 1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.523 19.788 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.905 22.883 -0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.029 21.713 -1.579 1.00 0.00 H new ATOM 1753 N ASN A 114 1.516 17.915 2.291 1.00 0.00 N ATOM 1754 CA ASN A 114 0.776 17.774 3.540 1.00 0.00 C ATOM 1755 C ASN A 114 1.136 18.891 4.514 1.00 0.00 C ATOM 1756 O ASN A 114 2.292 19.305 4.601 1.00 0.00 O ATOM 1757 CB ASN A 114 1.066 16.413 4.177 1.00 0.00 C ATOM 1758 CG ASN A 114 0.777 15.260 3.235 1.00 0.00 C ATOM 1759 OD1 ASN A 114 1.153 15.293 2.063 1.00 0.00 O ATOM 1760 ND2 ASN A 114 0.107 14.233 3.744 1.00 0.00 N ATOM 0 H ASN A 114 2.449 17.502 2.304 1.00 0.00 H new ATOM 0 HA ASN A 114 -0.288 17.843 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 114 2.111 16.374 4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 114 0.464 16.301 5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.116 13.428 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.185 14.248 4.721 1.00 0.00 H new ATOM 1767 N SER A 115 0.137 19.375 5.246 1.00 0.00 N ATOM 1768 CA SER A 115 0.347 20.446 6.213 1.00 0.00 C ATOM 1769 C SER A 115 -0.724 20.415 7.299 1.00 0.00 C ATOM 1770 O SER A 115 -1.894 20.154 7.026 1.00 0.00 O ATOM 1771 CB SER A 115 0.337 21.805 5.510 1.00 0.00 C ATOM 1772 OG SER A 115 1.295 21.846 4.466 1.00 0.00 O ATOM 0 H SER A 115 -0.825 19.042 5.188 1.00 0.00 H new ATOM 0 HA SER A 115 1.319 20.294 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.656 22.001 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.548 22.593 6.233 1.00 0.00 H new ATOM 0 HG SER A 115 1.268 22.724 4.031 1.00 0.00 H new ATOM 1778 N GLY A 116 -0.312 20.685 8.535 1.00 0.00 N ATOM 1779 CA GLY A 116 -1.247 20.683 9.645 1.00 0.00 C ATOM 1780 C GLY A 116 -0.550 20.638 10.990 1.00 0.00 C ATOM 1781 O GLY A 116 0.503 20.020 11.147 1.00 0.00 O ATOM 0 H GLY A 116 0.652 20.905 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.871 21.575 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -1.912 19.824 9.555 1.00 0.00 H new ATOM 1785 N PRO A 117 -1.142 21.307 11.990 1.00 0.00 N ATOM 1786 CA PRO A 117 -0.587 21.358 13.346 1.00 0.00 C ATOM 1787 C PRO A 117 -0.680 20.014 14.060 1.00 0.00 C ATOM 1788 O PRO A 117 -1.294 19.073 13.557 1.00 0.00 O ATOM 1789 CB PRO A 117 -1.463 22.398 14.049 1.00 0.00 C ATOM 1790 CG PRO A 117 -2.753 22.374 13.303 1.00 0.00 C ATOM 1791 CD PRO A 117 -2.399 22.066 11.875 1.00 0.00 C ATOM 0 HA PRO A 117 0.474 21.606 13.343 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -1.609 22.148 15.100 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -1.006 23.387 14.017 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -3.425 21.619 13.710 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.266 23.332 13.380 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.178 21.481 11.385 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -2.267 22.975 11.289 1.00 0.00 H new ATOM 1799 N SER A 118 -0.065 19.930 15.236 1.00 0.00 N ATOM 1800 CA SER A 118 -0.075 18.699 16.018 1.00 0.00 C ATOM 1801 C SER A 118 -0.044 17.476 15.107 1.00 0.00 C ATOM 1802 O SER A 118 -0.800 16.524 15.301 1.00 0.00 O ATOM 1803 CB SER A 118 -1.314 18.650 16.915 1.00 0.00 C ATOM 1804 OG SER A 118 -1.129 19.428 18.084 1.00 0.00 O ATOM 0 H SER A 118 0.446 20.700 15.668 1.00 0.00 H new ATOM 0 HA SER A 118 0.818 18.687 16.643 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.180 19.016 16.364 1.00 0.00 H new ATOM 0 HB3 SER A 118 -1.526 17.617 17.192 1.00 0.00 H new ATOM 0 HG SER A 118 -1.935 19.381 18.639 1.00 0.00 H new ATOM 1810 N SER A 119 0.836 17.510 14.111 1.00 0.00 N ATOM 1811 CA SER A 119 0.964 16.407 13.166 1.00 0.00 C ATOM 1812 C SER A 119 2.032 15.419 13.626 1.00 0.00 C ATOM 1813 O SER A 119 3.017 15.801 14.256 1.00 0.00 O ATOM 1814 CB SER A 119 1.310 16.938 11.774 1.00 0.00 C ATOM 1815 OG SER A 119 1.449 15.878 10.844 1.00 0.00 O ATOM 0 H SER A 119 1.471 18.289 13.938 1.00 0.00 H new ATOM 0 HA SER A 119 0.007 15.886 13.121 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.530 17.621 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 119 2.237 17.510 11.819 1.00 0.00 H new ATOM 0 HG SER A 119 1.668 16.244 9.962 1.00 0.00 H new ATOM 1821 N GLY A 120 1.827 14.145 13.306 1.00 0.00 N ATOM 1822 CA GLY A 120 2.779 13.121 13.694 1.00 0.00 C ATOM 1823 C GLY A 120 2.289 12.284 14.859 1.00 0.00 C ATOM 1824 O GLY A 120 2.345 11.055 14.817 1.00 0.00 O ATOM 0 H GLY A 120 1.019 13.804 12.785 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.976 12.471 12.841 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.725 13.592 13.962 1.00 0.00 H new TER 1828 GLY A 120