USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 670 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 64 THR OG1 : rot 118:sc= 0.48 USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -1.57 F(o=-1.7!,f=-1.1) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -0.298 F(o=-13,f=-11) USER MOD Set 2.2: A 65 HIS :FLIP no HD1:sc= -10.3! C(o=-12!,f=-11!) USER MOD Set 3.1: A 7 ASN :FLIP amide:sc= -0.106 F(o=-0.96,f=-0.0083) USER MOD Set 3.2: A 37 CYS SG : rot -30:sc= 0.0981 USER MOD Single : A 1 LEU N :NH3+ 131:sc= 0.0346 (180deg=-0.36) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.55 F(o=-3.3!,f=-1.5) USER MOD Single : A 13 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.66) USER MOD Single : A 16 SER OG : rot 150:sc= -2.77! USER MOD Single : A 17 GLN : amide:sc= -0.432 K(o=-0.43,f=-0.98) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 11:sc= 0.549 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.14 K(o=-3.1,f=-3.9) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -14! C(o=-14!,f=-14!) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.496 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= -0.0342 (180deg=-0.244) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 51:sc= -1.21 USER MOD Single : A 32 TYR OH : rot -71:sc= 1.4 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -55:sc= 1.26 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.765 F(o=-2.4,f=0.77) USER MOD Single : A 40 THR OG1 : rot 158:sc= 0.508 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= -1.43 (180deg=-1.68) USER MOD Single : A 46 SER OG : rot 180:sc= -1.91! USER MOD Single : A 47 TYR OH : rot 128:sc= -0.501 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0125 (180deg=-0.0643) USER MOD Single : A 54 GLN : amide:sc= 0.00921 K(o=0.0092,f=-2.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -3.82 K(o=-3.8,f=-6.8!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.171 F(o=-3.3,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= -0.025 (180deg=-0.205) USER MOD Single : A 72 GLN :FLIP amide:sc= -5.47! C(o=-8!,f=-5.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 130:sc= 0 USER MOD Single : A 82 THR OG1 : rot -100:sc= 0.0499 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 13.485 -11.332 3.358 1.00 0.00 N ATOM 2 CA LEU A 1 12.664 -10.081 3.341 1.00 0.00 C ATOM 3 C LEU A 1 13.520 -8.874 2.937 1.00 0.00 C ATOM 4 O LEU A 1 14.730 -8.963 2.834 1.00 0.00 O ATOM 5 CB LEU A 1 12.125 -9.920 4.771 1.00 0.00 C ATOM 6 CG LEU A 1 13.271 -9.618 5.746 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.082 -8.225 6.354 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.358 -10.682 6.844 1.00 0.00 C ATOM 0 H1 LEU A 1 13.325 -11.840 4.251 1.00 0.00 H new ATOM 0 H2 LEU A 1 13.209 -11.939 2.560 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.492 -11.087 3.275 1.00 0.00 H new ATOM 0 HA LEU A 1 11.854 -10.141 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.392 -9.114 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.610 -10.831 5.077 1.00 0.00 H new ATOM 0 HG LEU A 1 14.210 -9.639 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.898 -8.016 7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.079 -7.479 5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.134 -8.188 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.179 -10.441 7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.423 -10.705 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.534 -11.658 6.392 1.00 0.00 H new ATOM 22 N ASP A 2 12.885 -7.748 2.705 1.00 0.00 N ATOM 23 CA ASP A 2 13.620 -6.509 2.297 1.00 0.00 C ATOM 24 C ASP A 2 14.603 -6.795 1.144 1.00 0.00 C ATOM 25 O ASP A 2 15.797 -6.597 1.284 1.00 0.00 O ATOM 26 CB ASP A 2 14.365 -6.053 3.554 1.00 0.00 C ATOM 27 CG ASP A 2 14.659 -4.553 3.460 1.00 0.00 C ATOM 28 OD1 ASP A 2 13.737 -3.775 3.648 1.00 0.00 O ATOM 29 OD2 ASP A 2 15.800 -4.208 3.201 1.00 0.00 O ATOM 0 H ASP A 2 11.874 -7.635 2.783 1.00 0.00 H new ATOM 0 HA ASP A 2 12.940 -5.742 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.766 -6.262 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.296 -6.610 3.660 1.00 0.00 H new ATOM 34 N PRO A 3 14.061 -7.235 0.029 1.00 0.00 N ATOM 35 CA PRO A 3 14.891 -7.525 -1.159 1.00 0.00 C ATOM 36 C PRO A 3 15.101 -6.212 -1.934 1.00 0.00 C ATOM 37 O PRO A 3 16.029 -5.474 -1.662 1.00 0.00 O ATOM 38 CB PRO A 3 14.050 -8.533 -1.942 1.00 0.00 C ATOM 39 CG PRO A 3 12.629 -8.281 -1.518 1.00 0.00 C ATOM 40 CD PRO A 3 12.642 -7.495 -0.224 1.00 0.00 C ATOM 0 HA PRO A 3 15.883 -7.922 -0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.170 -8.394 -3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.352 -9.556 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.096 -7.728 -2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.102 -9.225 -1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.078 -6.567 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.190 -8.062 0.590 1.00 0.00 H new ATOM 48 N VAL A 4 14.213 -5.883 -2.847 1.00 0.00 N ATOM 49 CA VAL A 4 14.328 -4.583 -3.575 1.00 0.00 C ATOM 50 C VAL A 4 13.969 -3.485 -2.569 1.00 0.00 C ATOM 51 O VAL A 4 14.729 -2.572 -2.306 1.00 0.00 O ATOM 52 CB VAL A 4 13.281 -4.666 -4.696 1.00 0.00 C ATOM 53 CG1 VAL A 4 12.870 -3.308 -5.275 1.00 0.00 C ATOM 54 CG2 VAL A 4 13.833 -5.523 -5.838 1.00 0.00 C ATOM 0 H VAL A 4 13.416 -6.460 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 4 15.316 -4.377 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 4 12.391 -5.103 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.128 -3.457 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.443 -2.690 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.745 -2.810 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.094 -5.585 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.746 -5.070 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.053 -6.525 -5.468 1.00 0.00 H new ATOM 64 N ASP A 5 12.820 -3.640 -1.970 1.00 0.00 N ATOM 65 CA ASP A 5 12.334 -2.711 -0.916 1.00 0.00 C ATOM 66 C ASP A 5 11.313 -3.508 -0.091 1.00 0.00 C ATOM 67 O ASP A 5 11.643 -3.973 0.983 1.00 0.00 O ATOM 68 CB ASP A 5 11.718 -1.506 -1.640 1.00 0.00 C ATOM 69 CG ASP A 5 12.766 -0.400 -1.802 1.00 0.00 C ATOM 70 OD1 ASP A 5 13.262 0.076 -0.793 1.00 0.00 O ATOM 71 OD2 ASP A 5 13.054 -0.048 -2.934 1.00 0.00 O ATOM 0 H ASP A 5 12.176 -4.403 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 5 13.106 -2.336 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.345 -1.811 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.864 -1.130 -1.076 1.00 0.00 H new ATOM 76 N PRO A 6 10.132 -3.731 -0.643 1.00 0.00 N ATOM 77 CA PRO A 6 9.135 -4.567 0.036 1.00 0.00 C ATOM 78 C PRO A 6 9.296 -5.998 -0.499 1.00 0.00 C ATOM 79 O PRO A 6 10.236 -6.283 -1.217 1.00 0.00 O ATOM 80 CB PRO A 6 7.810 -3.955 -0.393 1.00 0.00 C ATOM 81 CG PRO A 6 8.098 -3.269 -1.701 1.00 0.00 C ATOM 82 CD PRO A 6 9.597 -3.244 -1.918 1.00 0.00 C ATOM 0 HA PRO A 6 9.221 -4.607 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.042 -4.720 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.444 -3.247 0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.607 -3.795 -2.520 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.701 -2.254 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.894 -3.884 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.953 -2.240 -2.146 1.00 0.00 H new ATOM 90 N ASN A 7 8.410 -6.901 -0.180 1.00 0.00 N ATOM 91 CA ASN A 7 8.574 -8.295 -0.706 1.00 0.00 C ATOM 92 C ASN A 7 8.220 -8.357 -2.199 1.00 0.00 C ATOM 93 O ASN A 7 8.986 -8.861 -2.999 1.00 0.00 O ATOM 94 CB ASN A 7 7.620 -9.164 0.118 1.00 0.00 C ATOM 95 CG ASN A 7 8.163 -9.312 1.543 1.00 0.00 C ATOM 96 OD1 ASN A 7 7.506 -8.780 2.538 1.00 0.00 O flip ATOM 97 ND2 ASN A 7 9.195 -9.917 1.753 1.00 0.00 N flip ATOM 0 H ASN A 7 7.593 -6.744 0.410 1.00 0.00 H new ATOM 0 HA ASN A 7 9.604 -8.640 -0.617 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.628 -8.712 0.141 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.513 -10.145 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.709 -10.333 0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.547 -10.009 2.706 1.00 0.00 H new ATOM 104 N ILE A 8 7.075 -7.847 -2.581 1.00 0.00 N ATOM 105 CA ILE A 8 6.681 -7.877 -4.031 1.00 0.00 C ATOM 106 C ILE A 8 6.134 -6.510 -4.483 1.00 0.00 C ATOM 107 O ILE A 8 5.513 -6.405 -5.525 1.00 0.00 O ATOM 108 CB ILE A 8 5.599 -8.974 -4.166 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.239 -8.479 -3.633 1.00 0.00 C ATOM 110 CG2 ILE A 8 6.029 -10.243 -3.416 1.00 0.00 C ATOM 111 CD1 ILE A 8 4.268 -8.314 -2.111 1.00 0.00 C ATOM 0 H ILE A 8 6.396 -7.412 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 8 7.541 -8.092 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 8 5.487 -9.208 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.987 -7.527 -4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.457 -9.187 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.258 -11.006 -3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.965 -10.614 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.170 -10.011 -2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.296 -7.964 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.496 -9.273 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.033 -7.587 -1.838 1.00 0.00 H new ATOM 123 N GLU A 9 6.358 -5.467 -3.710 1.00 0.00 N ATOM 124 CA GLU A 9 5.851 -4.102 -4.081 1.00 0.00 C ATOM 125 C GLU A 9 4.357 -4.155 -4.436 1.00 0.00 C ATOM 126 O GLU A 9 3.985 -3.919 -5.567 1.00 0.00 O ATOM 127 CB GLU A 9 6.685 -3.672 -5.297 1.00 0.00 C ATOM 128 CG GLU A 9 8.056 -3.169 -4.836 1.00 0.00 C ATOM 129 CD GLU A 9 9.020 -3.127 -6.025 1.00 0.00 C ATOM 130 OE1 GLU A 9 9.502 -4.180 -6.410 1.00 0.00 O ATOM 131 OE2 GLU A 9 9.263 -2.042 -6.527 1.00 0.00 O ATOM 0 H GLU A 9 6.875 -5.505 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 9 5.949 -3.397 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.807 -4.512 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.165 -2.887 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.961 -2.175 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.451 -3.823 -4.059 1.00 0.00 H new ATOM 138 N PRO A 10 3.549 -4.477 -3.452 1.00 0.00 N ATOM 139 CA PRO A 10 2.085 -4.567 -3.657 1.00 0.00 C ATOM 140 C PRO A 10 1.378 -3.241 -3.333 1.00 0.00 C ATOM 141 O PRO A 10 0.274 -3.230 -2.818 1.00 0.00 O ATOM 142 CB PRO A 10 1.674 -5.624 -2.655 1.00 0.00 C ATOM 143 CG PRO A 10 2.712 -5.563 -1.568 1.00 0.00 C ATOM 144 CD PRO A 10 3.915 -4.805 -2.077 1.00 0.00 C ATOM 0 HA PRO A 10 1.823 -4.797 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.678 -5.425 -2.260 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.643 -6.612 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.304 -5.071 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.001 -6.570 -1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.105 -3.909 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.820 -5.412 -2.035 1.00 0.00 H new ATOM 152 N TRP A 11 1.990 -2.130 -3.636 1.00 0.00 N ATOM 153 CA TRP A 11 1.343 -0.813 -3.355 1.00 0.00 C ATOM 154 C TRP A 11 0.828 -0.226 -4.679 1.00 0.00 C ATOM 155 O TRP A 11 1.060 0.914 -5.009 1.00 0.00 O ATOM 156 CB TRP A 11 2.463 0.053 -2.760 1.00 0.00 C ATOM 157 CG TRP A 11 2.976 -0.556 -1.492 1.00 0.00 C ATOM 158 CD1 TRP A 11 3.896 -1.544 -1.423 1.00 0.00 C ATOM 159 CD2 TRP A 11 2.624 -0.227 -0.116 1.00 0.00 C ATOM 160 NE1 TRP A 11 4.124 -1.851 -0.094 1.00 0.00 N ATOM 161 CE2 TRP A 11 3.363 -1.064 0.750 1.00 0.00 C ATOM 162 CE3 TRP A 11 1.741 0.704 0.460 1.00 0.00 C ATOM 163 CZ2 TRP A 11 3.230 -0.977 2.137 1.00 0.00 C ATOM 164 CZ3 TRP A 11 1.608 0.791 1.852 1.00 0.00 C ATOM 165 CH2 TRP A 11 2.350 -0.046 2.687 1.00 0.00 C ATOM 0 H TRP A 11 2.913 -2.075 -4.067 1.00 0.00 H new ATOM 0 HA TRP A 11 0.493 -0.879 -2.675 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.276 0.151 -3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.089 1.058 -2.563 1.00 0.00 H new ATOM 0 HD1 TRP A 11 4.375 -2.017 -2.268 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.774 -2.570 0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.161 1.357 -0.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.805 -1.627 2.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.927 1.510 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.242 0.028 3.759 1.00 0.00 H new ATOM 176 N ASN A 12 0.152 -1.032 -5.456 1.00 0.00 N ATOM 177 CA ASN A 12 -0.366 -0.568 -6.780 1.00 0.00 C ATOM 178 C ASN A 12 -1.657 -1.320 -7.104 1.00 0.00 C ATOM 179 O ASN A 12 -1.657 -2.301 -7.827 1.00 0.00 O ATOM 180 CB ASN A 12 0.742 -0.900 -7.793 1.00 0.00 C ATOM 181 CG ASN A 12 1.472 -2.187 -7.385 1.00 0.00 C ATOM 182 OD1 ASN A 12 2.317 -2.155 -6.387 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 1.271 -3.227 -7.978 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.066 -2.002 -5.228 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.599 0.497 -6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.311 -1.018 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.451 -0.074 -7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 12 0.612 -3.251 -8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.761 -4.077 -7.698 1.00 0.00 H new ATOM 190 N HIS A 13 -2.751 -0.882 -6.547 1.00 0.00 N ATOM 191 CA HIS A 13 -4.051 -1.579 -6.782 1.00 0.00 C ATOM 192 C HIS A 13 -5.036 -0.682 -7.542 1.00 0.00 C ATOM 193 O HIS A 13 -4.892 0.522 -7.561 1.00 0.00 O ATOM 194 CB HIS A 13 -4.591 -1.853 -5.374 1.00 0.00 C ATOM 195 CG HIS A 13 -3.735 -2.869 -4.661 1.00 0.00 C ATOM 196 ND1 HIS A 13 -3.841 -3.087 -3.296 1.00 0.00 N ATOM 197 CD2 HIS A 13 -2.766 -3.737 -5.104 1.00 0.00 C ATOM 198 CE1 HIS A 13 -2.960 -4.050 -2.968 1.00 0.00 C ATOM 199 NE2 HIS A 13 -2.279 -4.481 -4.033 1.00 0.00 N ATOM 0 H HIS A 13 -2.803 -0.067 -5.936 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.923 -2.480 -7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.615 -0.925 -4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.617 -2.215 -5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.433 -3.828 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -2.821 -4.428 -1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -1.557 -5.201 -4.057 1.00 0.00 H new ATOM 207 N PRO A 14 -6.036 -1.311 -8.113 1.00 0.00 N ATOM 208 CA PRO A 14 -7.095 -0.568 -8.834 1.00 0.00 C ATOM 209 C PRO A 14 -8.109 -0.012 -7.824 1.00 0.00 C ATOM 210 O PRO A 14 -8.931 0.823 -8.145 1.00 0.00 O ATOM 211 CB PRO A 14 -7.759 -1.635 -9.697 1.00 0.00 C ATOM 212 CG PRO A 14 -7.506 -2.926 -8.985 1.00 0.00 C ATOM 213 CD PRO A 14 -6.263 -2.760 -8.145 1.00 0.00 C ATOM 0 HA PRO A 14 -6.714 0.273 -9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.827 -1.447 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.336 -1.649 -10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.358 -3.188 -8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.376 -3.737 -9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.404 -3.162 -7.142 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.414 -3.286 -8.583 1.00 0.00 H new ATOM 221 N GLY A 15 -8.074 -0.509 -6.610 1.00 0.00 N ATOM 222 CA GLY A 15 -9.048 -0.062 -5.577 1.00 0.00 C ATOM 223 C GLY A 15 -10.403 -0.696 -5.904 1.00 0.00 C ATOM 224 O GLY A 15 -11.443 -0.176 -5.556 1.00 0.00 O ATOM 0 H GLY A 15 -7.405 -1.211 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.716 -0.363 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.127 1.025 -5.571 1.00 0.00 H new ATOM 228 N SER A 16 -10.384 -1.810 -6.600 1.00 0.00 N ATOM 229 CA SER A 16 -11.654 -2.488 -6.997 1.00 0.00 C ATOM 230 C SER A 16 -11.466 -4.011 -7.146 1.00 0.00 C ATOM 231 O SER A 16 -12.381 -4.708 -7.543 1.00 0.00 O ATOM 232 CB SER A 16 -11.974 -1.881 -8.362 1.00 0.00 C ATOM 233 OG SER A 16 -12.206 -0.488 -8.230 1.00 0.00 O ATOM 0 H SER A 16 -9.534 -2.280 -6.911 1.00 0.00 H new ATOM 0 HA SER A 16 -12.438 -2.348 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.147 -2.057 -9.050 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.852 -2.366 -8.788 1.00 0.00 H new ATOM 0 HG SER A 16 -11.939 -0.032 -9.056 1.00 0.00 H new ATOM 239 N GLN A 17 -10.297 -4.534 -6.843 1.00 0.00 N ATOM 240 CA GLN A 17 -10.074 -6.004 -6.989 1.00 0.00 C ATOM 241 C GLN A 17 -9.285 -6.574 -5.791 1.00 0.00 C ATOM 242 O GLN A 17 -9.805 -7.402 -5.068 1.00 0.00 O ATOM 243 CB GLN A 17 -9.299 -6.165 -8.301 1.00 0.00 C ATOM 244 CG GLN A 17 -10.241 -5.962 -9.494 1.00 0.00 C ATOM 245 CD GLN A 17 -9.554 -5.093 -10.552 1.00 0.00 C ATOM 246 OE1 GLN A 17 -8.489 -5.428 -11.031 1.00 0.00 O ATOM 247 NE2 GLN A 17 -10.123 -3.983 -10.943 1.00 0.00 N ATOM 0 H GLN A 17 -9.494 -4.005 -6.503 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.014 -6.556 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.484 -5.442 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.848 -7.156 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.514 -6.926 -9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.165 -5.487 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.017 -3.700 -10.542 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.673 -3.400 -11.649 1.00 0.00 H new ATOM 256 N PRO A 18 -8.054 -6.121 -5.605 1.00 0.00 N ATOM 257 CA PRO A 18 -7.227 -6.618 -4.468 1.00 0.00 C ATOM 258 C PRO A 18 -7.801 -6.141 -3.126 1.00 0.00 C ATOM 259 O PRO A 18 -7.433 -6.638 -2.080 1.00 0.00 O ATOM 260 CB PRO A 18 -5.853 -6.008 -4.720 1.00 0.00 C ATOM 261 CG PRO A 18 -6.139 -4.795 -5.541 1.00 0.00 C ATOM 262 CD PRO A 18 -7.326 -5.128 -6.406 1.00 0.00 C ATOM 0 HA PRO A 18 -7.199 -7.706 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.354 -5.749 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.199 -6.702 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.353 -3.938 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.277 -4.529 -6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.936 -4.248 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.021 -5.534 -7.371 1.00 0.00 H new ATOM 270 N LYS A 19 -8.705 -5.188 -3.151 1.00 0.00 N ATOM 271 CA LYS A 19 -9.319 -4.688 -1.886 1.00 0.00 C ATOM 272 C LYS A 19 -10.842 -4.547 -2.063 1.00 0.00 C ATOM 273 O LYS A 19 -11.493 -3.831 -1.325 1.00 0.00 O ATOM 274 CB LYS A 19 -8.668 -3.322 -1.630 1.00 0.00 C ATOM 275 CG LYS A 19 -9.038 -2.338 -2.747 1.00 0.00 C ATOM 276 CD LYS A 19 -9.093 -0.917 -2.178 1.00 0.00 C ATOM 277 CE LYS A 19 -10.524 -0.378 -2.272 1.00 0.00 C ATOM 278 NZ LYS A 19 -10.421 1.029 -1.783 1.00 0.00 N ATOM 0 H LYS A 19 -9.043 -4.735 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.158 -5.368 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.996 -2.930 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.585 -3.432 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.304 -2.391 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.003 -2.606 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.762 -0.918 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.413 -0.268 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.897 -0.417 -3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.210 -0.963 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.359 1.477 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.067 1.032 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.764 1.560 -2.390 1.00 0.00 H new ATOM 292 N THR A 20 -11.411 -5.224 -3.042 1.00 0.00 N ATOM 293 CA THR A 20 -12.888 -5.125 -3.274 1.00 0.00 C ATOM 294 C THR A 20 -13.438 -6.393 -3.952 1.00 0.00 C ATOM 295 O THR A 20 -14.526 -6.838 -3.637 1.00 0.00 O ATOM 296 CB THR A 20 -13.063 -3.911 -4.195 1.00 0.00 C ATOM 297 OG1 THR A 20 -12.892 -2.717 -3.445 1.00 0.00 O ATOM 298 CG2 THR A 20 -14.463 -3.925 -4.819 1.00 0.00 C ATOM 0 H THR A 20 -10.914 -5.838 -3.687 1.00 0.00 H new ATOM 0 HA THR A 20 -13.433 -5.021 -2.336 1.00 0.00 H new ATOM 0 HB THR A 20 -12.317 -3.955 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.529 -2.935 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.579 -3.060 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.593 -4.838 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.214 -3.887 -4.030 1.00 0.00 H new ATOM 306 N ALA A 21 -12.717 -6.959 -4.896 1.00 0.00 N ATOM 307 CA ALA A 21 -13.220 -8.180 -5.612 1.00 0.00 C ATOM 308 C ALA A 21 -13.162 -9.429 -4.714 1.00 0.00 C ATOM 309 O ALA A 21 -12.496 -10.397 -5.035 1.00 0.00 O ATOM 310 CB ALA A 21 -12.299 -8.350 -6.824 1.00 0.00 C ATOM 0 H ALA A 21 -11.802 -6.628 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.265 -8.063 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.608 -9.225 -7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.361 -7.464 -7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.272 -8.482 -6.485 1.00 0.00 H new ATOM 316 N CYS A 22 -13.876 -9.421 -3.606 1.00 0.00 N ATOM 317 CA CYS A 22 -13.892 -10.611 -2.687 1.00 0.00 C ATOM 318 C CYS A 22 -12.467 -11.135 -2.443 1.00 0.00 C ATOM 319 O CYS A 22 -12.224 -12.328 -2.407 1.00 0.00 O ATOM 320 CB CYS A 22 -14.741 -11.646 -3.426 1.00 0.00 C ATOM 321 SG CYS A 22 -15.966 -12.355 -2.298 1.00 0.00 S ATOM 0 H CYS A 22 -14.451 -8.637 -3.298 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.294 -10.373 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -15.242 -11.180 -4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -14.103 -12.434 -3.826 1.00 0.00 H new ATOM 0 HG CYS A 22 -16.685 -13.232 -2.934 1.00 0.00 H new ATOM 327 N ASN A 23 -11.530 -10.239 -2.282 1.00 0.00 N ATOM 328 CA ASN A 23 -10.114 -10.641 -2.047 1.00 0.00 C ATOM 329 C ASN A 23 -9.913 -11.096 -0.593 1.00 0.00 C ATOM 330 O ASN A 23 -10.832 -11.559 0.056 1.00 0.00 O ATOM 331 CB ASN A 23 -9.302 -9.370 -2.349 1.00 0.00 C ATOM 332 CG ASN A 23 -9.506 -8.328 -1.236 1.00 0.00 C ATOM 333 OD1 ASN A 23 -8.737 -8.268 -0.296 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.512 -7.498 -1.299 1.00 0.00 N ATOM 0 H ASN A 23 -11.689 -9.232 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.808 -11.482 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.244 -9.618 -2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.610 -8.953 -3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.649 -6.805 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.161 -7.542 -2.084 1.00 0.00 H new ATOM 341 N ARG A 24 -8.708 -10.959 -0.093 1.00 0.00 N ATOM 342 CA ARG A 24 -8.381 -11.357 1.308 1.00 0.00 C ATOM 343 C ARG A 24 -9.483 -10.908 2.286 1.00 0.00 C ATOM 344 O ARG A 24 -10.244 -11.720 2.778 1.00 0.00 O ATOM 345 CB ARG A 24 -7.060 -10.634 1.616 1.00 0.00 C ATOM 346 CG ARG A 24 -5.945 -11.143 0.691 1.00 0.00 C ATOM 347 CD ARG A 24 -5.331 -9.966 -0.079 1.00 0.00 C ATOM 348 NE ARG A 24 -4.892 -9.010 0.985 1.00 0.00 N ATOM 349 CZ ARG A 24 -3.619 -8.829 1.238 1.00 0.00 C ATOM 350 NH1 ARG A 24 -2.774 -9.825 1.148 1.00 0.00 N ATOM 351 NH2 ARG A 24 -3.191 -7.645 1.588 1.00 0.00 N ATOM 0 H ARG A 24 -7.919 -10.577 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.302 -12.439 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.187 -9.559 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.782 -10.799 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.176 -11.647 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.346 -11.877 -0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.491 -10.289 -0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.058 -9.507 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.591 -8.494 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.105 -10.752 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.785 -9.674 1.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.847 -6.867 1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.201 -7.499 1.786 1.00 0.00 H new ATOM 365 N CYS A 25 -9.567 -9.624 2.573 1.00 0.00 N ATOM 366 CA CYS A 25 -10.614 -9.111 3.520 1.00 0.00 C ATOM 367 C CYS A 25 -10.374 -9.648 4.941 1.00 0.00 C ATOM 368 O CYS A 25 -11.295 -10.054 5.628 1.00 0.00 O ATOM 369 CB CYS A 25 -11.944 -9.623 2.966 1.00 0.00 C ATOM 370 SG CYS A 25 -13.273 -8.481 3.420 1.00 0.00 S ATOM 0 H CYS A 25 -8.951 -8.908 2.189 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.596 -8.024 3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -11.886 -9.716 1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -12.155 -10.617 3.360 1.00 0.00 H new ATOM 0 HG CYS A 25 -14.402 -8.918 2.946 1.00 0.00 H new ATOM 376 N HIS A 26 -9.142 -9.641 5.386 1.00 0.00 N ATOM 377 CA HIS A 26 -8.824 -10.140 6.768 1.00 0.00 C ATOM 378 C HIS A 26 -7.406 -9.728 7.205 1.00 0.00 C ATOM 379 O HIS A 26 -7.148 -9.533 8.378 1.00 0.00 O ATOM 380 CB HIS A 26 -8.976 -11.681 6.742 1.00 0.00 C ATOM 381 CG HIS A 26 -8.455 -12.308 5.463 1.00 0.00 C ATOM 382 ND1 HIS A 26 -8.680 -13.643 5.149 1.00 0.00 N ATOM 383 CD2 HIS A 26 -7.720 -11.809 4.417 1.00 0.00 C ATOM 384 CE1 HIS A 26 -8.087 -13.886 3.961 1.00 0.00 C ATOM 385 NE2 HIS A 26 -7.487 -12.806 3.482 1.00 0.00 N ATOM 0 H HIS A 26 -8.337 -9.311 4.853 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.505 -9.699 7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.443 -12.107 7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.028 -11.939 6.864 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -9.199 -14.316 5.713 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.374 -10.789 4.334 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.100 -14.844 3.462 1.00 0.00 H new ATOM 393 N CYS A 27 -6.495 -9.580 6.276 1.00 0.00 N ATOM 394 CA CYS A 27 -5.104 -9.163 6.615 1.00 0.00 C ATOM 395 C CYS A 27 -4.786 -7.825 5.928 1.00 0.00 C ATOM 396 O CYS A 27 -3.722 -7.269 6.106 1.00 0.00 O ATOM 397 CB CYS A 27 -4.218 -10.286 6.063 1.00 0.00 C ATOM 398 SG CYS A 27 -3.751 -9.932 4.347 1.00 0.00 S ATOM 0 H CYS A 27 -6.661 -9.734 5.281 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.951 -9.016 7.684 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.323 -10.388 6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.749 -11.236 6.114 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.999 -10.891 3.895 1.00 0.00 H new ATOM 404 N LYS A 28 -5.709 -7.311 5.144 1.00 0.00 N ATOM 405 CA LYS A 28 -5.481 -6.016 4.436 1.00 0.00 C ATOM 406 C LYS A 28 -5.876 -4.846 5.342 1.00 0.00 C ATOM 407 O LYS A 28 -5.268 -3.793 5.309 1.00 0.00 O ATOM 408 CB LYS A 28 -6.394 -6.091 3.207 1.00 0.00 C ATOM 409 CG LYS A 28 -6.555 -4.711 2.559 1.00 0.00 C ATOM 410 CD LYS A 28 -7.807 -4.709 1.676 1.00 0.00 C ATOM 411 CE LYS A 28 -9.056 -4.534 2.552 1.00 0.00 C ATOM 412 NZ LYS A 28 -10.194 -5.025 1.714 1.00 0.00 N ATOM 0 H LYS A 28 -6.617 -7.741 4.966 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.438 -5.858 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.978 -6.791 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.371 -6.477 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.637 -3.943 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.675 -4.472 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.747 -3.903 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.871 -5.642 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.972 -5.106 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.196 -3.491 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.082 -4.936 2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.255 -4.458 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.038 -6.023 1.466 1.00 0.00 H new ATOM 426 N LYS A 29 -6.890 -5.031 6.148 1.00 0.00 N ATOM 427 CA LYS A 29 -7.342 -3.946 7.062 1.00 0.00 C ATOM 428 C LYS A 29 -7.222 -4.393 8.530 1.00 0.00 C ATOM 429 O LYS A 29 -7.930 -3.908 9.392 1.00 0.00 O ATOM 430 CB LYS A 29 -8.808 -3.680 6.663 1.00 0.00 C ATOM 431 CG LYS A 29 -9.775 -4.615 7.411 1.00 0.00 C ATOM 432 CD LYS A 29 -9.614 -6.056 6.916 1.00 0.00 C ATOM 433 CE LYS A 29 -10.875 -6.863 7.251 1.00 0.00 C ATOM 434 NZ LYS A 29 -10.610 -7.436 8.605 1.00 0.00 N ATOM 0 H LYS A 29 -7.427 -5.896 6.210 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.736 -3.044 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.063 -2.643 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.925 -3.819 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.581 -4.568 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.802 -4.284 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.441 -6.064 5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.742 -6.515 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.761 -6.229 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.049 -7.649 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.354 -8.123 8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.686 -7.913 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.606 -6.672 9.311 1.00 0.00 H new ATOM 448 N CYS A 30 -6.327 -5.312 8.823 1.00 0.00 N ATOM 449 CA CYS A 30 -6.166 -5.787 10.236 1.00 0.00 C ATOM 450 C CYS A 30 -5.465 -4.717 11.096 1.00 0.00 C ATOM 451 O CYS A 30 -4.412 -4.962 11.655 1.00 0.00 O ATOM 452 CB CYS A 30 -5.311 -7.056 10.127 1.00 0.00 C ATOM 453 SG CYS A 30 -5.496 -8.048 11.630 1.00 0.00 S ATOM 0 H CYS A 30 -5.704 -5.751 8.146 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.124 -5.982 10.718 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.615 -7.637 9.256 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.264 -6.789 9.982 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.772 -9.123 11.532 1.00 0.00 H new ATOM 459 N CYS A 31 -6.068 -3.542 11.201 1.00 0.00 N ATOM 460 CA CYS A 31 -5.504 -2.406 12.016 1.00 0.00 C ATOM 461 C CYS A 31 -3.986 -2.529 12.216 1.00 0.00 C ATOM 462 O CYS A 31 -3.517 -2.865 13.288 1.00 0.00 O ATOM 463 CB CYS A 31 -6.245 -2.473 13.360 1.00 0.00 C ATOM 464 SG CYS A 31 -6.066 -4.118 14.099 1.00 0.00 S ATOM 0 H CYS A 31 -6.952 -3.322 10.741 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.647 -1.451 11.510 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.849 -1.717 14.039 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.301 -2.247 13.212 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.810 -4.454 14.111 1.00 0.00 H new ATOM 470 N TYR A 32 -3.211 -2.258 11.192 1.00 0.00 N ATOM 471 CA TYR A 32 -1.732 -2.363 11.329 1.00 0.00 C ATOM 472 C TYR A 32 -1.053 -1.455 10.291 1.00 0.00 C ATOM 473 O TYR A 32 -0.093 -1.832 9.645 1.00 0.00 O ATOM 474 CB TYR A 32 -1.425 -3.858 11.107 1.00 0.00 C ATOM 475 CG TYR A 32 -1.602 -4.260 9.660 1.00 0.00 C ATOM 476 CD1 TYR A 32 -2.853 -4.165 9.027 1.00 0.00 C ATOM 477 CD2 TYR A 32 -0.497 -4.733 8.953 1.00 0.00 C ATOM 478 CE1 TYR A 32 -2.984 -4.539 7.687 1.00 0.00 C ATOM 479 CE2 TYR A 32 -0.628 -5.106 7.612 1.00 0.00 C ATOM 480 CZ TYR A 32 -1.872 -5.009 6.978 1.00 0.00 C ATOM 481 OH TYR A 32 -2.000 -5.370 5.654 1.00 0.00 O ATOM 0 H TYR A 32 -3.542 -1.970 10.271 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.357 -2.035 12.299 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.403 -4.069 11.420 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.082 -4.461 11.734 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.711 -3.804 9.575 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.462 -4.811 9.443 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.944 -4.465 7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.230 -5.469 7.066 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.520 -6.198 5.590 1.00 0.00 H new ATOM 491 N HIS A 33 -1.572 -0.249 10.138 1.00 0.00 N ATOM 492 CA HIS A 33 -1.014 0.741 9.154 1.00 0.00 C ATOM 493 C HIS A 33 -1.181 0.247 7.701 1.00 0.00 C ATOM 494 O HIS A 33 -0.704 0.874 6.775 1.00 0.00 O ATOM 495 CB HIS A 33 0.471 0.902 9.510 1.00 0.00 C ATOM 496 CG HIS A 33 0.611 1.470 10.896 1.00 0.00 C ATOM 497 ND1 HIS A 33 0.644 2.835 11.139 1.00 0.00 N ATOM 498 CD2 HIS A 33 0.729 0.868 12.124 1.00 0.00 C ATOM 499 CE1 HIS A 33 0.777 3.006 12.467 1.00 0.00 C ATOM 500 NE2 HIS A 33 0.834 1.839 13.114 1.00 0.00 N ATOM 0 H HIS A 33 -2.375 0.093 10.666 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.544 1.691 9.214 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.974 -0.063 9.452 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.957 1.559 8.788 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.739 -0.198 12.295 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.831 3.970 12.951 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.933 1.692 14.118 1.00 0.00 H new ATOM 508 N CYS A 34 -1.861 -0.863 7.501 1.00 0.00 N ATOM 509 CA CYS A 34 -2.079 -1.412 6.124 1.00 0.00 C ATOM 510 C CYS A 34 -0.756 -1.537 5.338 1.00 0.00 C ATOM 511 O CYS A 34 -0.504 -0.800 4.401 1.00 0.00 O ATOM 512 CB CYS A 34 -3.024 -0.423 5.439 1.00 0.00 C ATOM 513 SG CYS A 34 -4.738 -0.836 5.847 1.00 0.00 S ATOM 0 H CYS A 34 -2.279 -1.418 8.248 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.495 -2.419 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.798 0.594 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.879 -0.455 4.359 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.973 -2.075 5.532 1.00 0.00 H new ATOM 519 N GLN A 35 0.080 -2.479 5.706 1.00 0.00 N ATOM 520 CA GLN A 35 1.381 -2.679 4.981 1.00 0.00 C ATOM 521 C GLN A 35 1.176 -3.609 3.781 1.00 0.00 C ATOM 522 O GLN A 35 1.706 -3.376 2.710 1.00 0.00 O ATOM 523 CB GLN A 35 2.321 -3.331 5.999 1.00 0.00 C ATOM 524 CG GLN A 35 2.536 -2.406 7.203 1.00 0.00 C ATOM 525 CD GLN A 35 2.823 -0.978 6.739 1.00 0.00 C ATOM 526 OE1 GLN A 35 1.925 -0.057 6.942 1.00 0.00 O flip ATOM 527 NE2 GLN A 35 3.873 -0.697 6.194 1.00 0.00 N flip ATOM 0 H GLN A 35 -0.082 -3.122 6.481 1.00 0.00 H new ATOM 0 HA GLN A 35 1.784 -1.740 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.902 -4.280 6.333 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.279 -3.553 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.651 -2.417 7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.367 -2.772 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.575 -1.420 6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.052 0.262 5.895 1.00 0.00 H new ATOM 536 N VAL A 36 0.407 -4.661 3.959 1.00 0.00 N ATOM 537 CA VAL A 36 0.145 -5.625 2.842 1.00 0.00 C ATOM 538 C VAL A 36 1.465 -6.174 2.278 1.00 0.00 C ATOM 539 O VAL A 36 1.798 -5.943 1.133 1.00 0.00 O ATOM 540 CB VAL A 36 -0.625 -4.821 1.779 1.00 0.00 C ATOM 541 CG1 VAL A 36 -1.051 -5.656 0.568 1.00 0.00 C ATOM 542 CG2 VAL A 36 -1.871 -4.128 2.345 1.00 0.00 C ATOM 0 H VAL A 36 -0.053 -4.893 4.839 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.426 -6.491 3.176 1.00 0.00 H new ATOM 0 HB VAL A 36 0.094 -4.070 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.588 -5.024 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.167 -6.072 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.701 -6.467 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.373 -3.577 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.550 -4.877 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.576 -3.438 3.135 1.00 0.00 H new ATOM 552 N CYS A 37 2.208 -6.909 3.082 1.00 0.00 N ATOM 553 CA CYS A 37 3.512 -7.495 2.620 1.00 0.00 C ATOM 554 C CYS A 37 4.435 -6.402 2.059 1.00 0.00 C ATOM 555 O CYS A 37 4.341 -6.023 0.907 1.00 0.00 O ATOM 556 CB CYS A 37 3.135 -8.508 1.532 1.00 0.00 C ATOM 557 SG CYS A 37 4.333 -9.864 1.523 1.00 0.00 S ATOM 0 H CYS A 37 1.962 -7.129 4.047 1.00 0.00 H new ATOM 0 HA CYS A 37 4.059 -7.965 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.133 -8.896 1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.116 -8.020 0.558 1.00 0.00 H new ATOM 0 HG CYS A 37 5.494 -9.420 1.903 1.00 0.00 H new ATOM 563 N PHE A 38 5.331 -5.896 2.867 1.00 0.00 N ATOM 564 CA PHE A 38 6.254 -4.828 2.380 1.00 0.00 C ATOM 565 C PHE A 38 7.702 -5.095 2.858 1.00 0.00 C ATOM 566 O PHE A 38 8.144 -6.226 2.849 1.00 0.00 O ATOM 567 CB PHE A 38 5.646 -3.507 2.903 1.00 0.00 C ATOM 568 CG PHE A 38 5.893 -3.288 4.378 1.00 0.00 C ATOM 569 CD1 PHE A 38 5.422 -4.203 5.325 1.00 0.00 C ATOM 570 CD2 PHE A 38 6.588 -2.147 4.795 1.00 0.00 C ATOM 571 CE1 PHE A 38 5.648 -3.978 6.682 1.00 0.00 C ATOM 572 CE2 PHE A 38 6.814 -1.924 6.152 1.00 0.00 C ATOM 573 CZ PHE A 38 6.343 -2.840 7.096 1.00 0.00 C ATOM 0 H PHE A 38 5.463 -6.175 3.839 1.00 0.00 H new ATOM 0 HA PHE A 38 6.339 -4.791 1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.066 -2.672 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.572 -3.508 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.884 -5.083 5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.950 -1.439 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.285 -4.685 7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.352 -1.045 6.473 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.517 -2.667 8.148 1.00 0.00 H new ATOM 583 N ILE A 39 8.466 -4.086 3.221 1.00 0.00 N ATOM 584 CA ILE A 39 9.897 -4.338 3.627 1.00 0.00 C ATOM 585 C ILE A 39 10.016 -5.280 4.840 1.00 0.00 C ATOM 586 O ILE A 39 10.950 -6.055 4.919 1.00 0.00 O ATOM 587 CB ILE A 39 10.516 -2.966 3.953 1.00 0.00 C ATOM 588 CG1 ILE A 39 9.732 -2.268 5.070 1.00 0.00 C ATOM 589 CG2 ILE A 39 10.513 -2.087 2.699 1.00 0.00 C ATOM 590 CD1 ILE A 39 10.692 -1.847 6.186 1.00 0.00 C ATOM 0 H ILE A 39 8.169 -3.111 3.255 1.00 0.00 H new ATOM 0 HA ILE A 39 10.421 -4.837 2.812 1.00 0.00 H new ATOM 0 HB ILE A 39 11.541 -3.121 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.214 -1.395 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.969 -2.938 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.952 -1.117 2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.097 -2.569 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.488 -1.948 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.133 -1.351 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.190 -2.729 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.438 -1.161 5.785 1.00 0.00 H new ATOM 602 N THR A 40 9.104 -5.230 5.782 1.00 0.00 N ATOM 603 CA THR A 40 9.216 -6.138 6.966 1.00 0.00 C ATOM 604 C THR A 40 8.002 -7.072 7.046 1.00 0.00 C ATOM 605 O THR A 40 6.879 -6.672 6.801 1.00 0.00 O ATOM 606 CB THR A 40 9.280 -5.201 8.181 1.00 0.00 C ATOM 607 OG1 THR A 40 10.434 -4.376 8.068 1.00 0.00 O ATOM 608 CG2 THR A 40 9.360 -6.022 9.474 1.00 0.00 C ATOM 0 H THR A 40 8.296 -4.607 5.783 1.00 0.00 H new ATOM 0 HA THR A 40 10.092 -6.784 6.911 1.00 0.00 H new ATOM 0 HB THR A 40 8.383 -4.583 8.211 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.311 -3.566 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.405 -5.349 10.330 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.478 -6.657 9.557 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.254 -6.645 9.455 1.00 0.00 H new ATOM 616 N LYS A 41 8.230 -8.318 7.390 1.00 0.00 N ATOM 617 CA LYS A 41 7.102 -9.298 7.492 1.00 0.00 C ATOM 618 C LYS A 41 6.198 -8.972 8.696 1.00 0.00 C ATOM 619 O LYS A 41 5.062 -9.404 8.753 1.00 0.00 O ATOM 620 CB LYS A 41 7.770 -10.671 7.662 1.00 0.00 C ATOM 621 CG LYS A 41 8.484 -10.757 9.020 1.00 0.00 C ATOM 622 CD LYS A 41 7.948 -11.954 9.813 1.00 0.00 C ATOM 623 CE LYS A 41 6.456 -11.755 10.109 1.00 0.00 C ATOM 624 NZ LYS A 41 6.425 -10.946 11.362 1.00 0.00 N ATOM 0 H LYS A 41 9.151 -8.699 7.605 1.00 0.00 H new ATOM 0 HA LYS A 41 6.460 -9.268 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.020 -11.459 7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.486 -10.836 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.559 -10.860 8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.327 -9.837 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.096 -12.873 9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.502 -12.062 10.746 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.955 -11.238 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.947 -12.710 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.453 -10.622 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.749 -11.529 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.051 -10.122 11.259 1.00 0.00 H new ATOM 638 N GLY A 42 6.687 -8.206 9.650 1.00 0.00 N ATOM 639 CA GLY A 42 5.859 -7.843 10.843 1.00 0.00 C ATOM 640 C GLY A 42 4.633 -7.012 10.432 1.00 0.00 C ATOM 641 O GLY A 42 3.786 -6.721 11.245 1.00 0.00 O ATOM 0 H GLY A 42 7.630 -7.817 9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.534 -8.749 11.353 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.464 -7.278 11.552 1.00 0.00 H new ATOM 645 N LEU A 43 4.529 -6.642 9.177 1.00 0.00 N ATOM 646 CA LEU A 43 3.359 -5.840 8.694 1.00 0.00 C ATOM 647 C LEU A 43 3.342 -4.437 9.323 1.00 0.00 C ATOM 648 O LEU A 43 2.296 -3.900 9.632 1.00 0.00 O ATOM 649 CB LEU A 43 2.112 -6.640 9.092 1.00 0.00 C ATOM 650 CG LEU A 43 2.191 -8.058 8.520 1.00 0.00 C ATOM 651 CD1 LEU A 43 0.916 -8.761 8.981 1.00 0.00 C ATOM 652 CD2 LEU A 43 2.368 -8.015 6.999 1.00 0.00 C ATOM 0 H LEU A 43 5.216 -6.865 8.457 1.00 0.00 H new ATOM 0 HA LEU A 43 3.406 -5.683 7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.029 -6.682 10.178 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.217 -6.140 8.723 1.00 0.00 H new ATOM 0 HG LEU A 43 3.058 -8.614 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.908 -9.784 8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.882 -8.775 10.070 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.047 -8.227 8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.422 -9.032 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.520 -7.499 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.288 -7.484 6.755 1.00 0.00 H new ATOM 664 N GLY A 44 4.494 -3.834 9.494 1.00 0.00 N ATOM 665 CA GLY A 44 4.555 -2.455 10.080 1.00 0.00 C ATOM 666 C GLY A 44 3.852 -2.406 11.438 1.00 0.00 C ATOM 667 O GLY A 44 3.376 -1.368 11.857 1.00 0.00 O ATOM 0 H GLY A 44 5.399 -4.238 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.595 -2.150 10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.087 -1.745 9.398 1.00 0.00 H new ATOM 671 N ILE A 45 3.775 -3.516 12.125 1.00 0.00 N ATOM 672 CA ILE A 45 3.092 -3.522 13.456 1.00 0.00 C ATOM 673 C ILE A 45 3.885 -2.692 14.481 1.00 0.00 C ATOM 674 O ILE A 45 3.332 -1.818 15.121 1.00 0.00 O ATOM 675 CB ILE A 45 2.985 -4.997 13.886 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.338 -5.712 13.748 1.00 0.00 C ATOM 677 CG2 ILE A 45 1.940 -5.701 13.015 1.00 0.00 C ATOM 678 CD1 ILE A 45 4.951 -5.935 15.133 1.00 0.00 C ATOM 0 H ILE A 45 4.153 -4.415 11.825 1.00 0.00 H new ATOM 0 HA ILE A 45 2.103 -3.068 13.395 1.00 0.00 H new ATOM 0 HB ILE A 45 2.686 -5.034 14.933 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.204 -6.668 13.241 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.013 -5.117 13.133 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.860 -6.746 13.315 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.974 -5.213 13.140 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.242 -5.646 11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.910 -6.442 15.029 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.100 -4.973 15.624 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.279 -6.548 15.734 1.00 0.00 H new ATOM 690 N SER A 46 5.171 -2.942 14.637 1.00 0.00 N ATOM 691 CA SER A 46 5.977 -2.143 15.623 1.00 0.00 C ATOM 692 C SER A 46 7.472 -2.526 15.600 1.00 0.00 C ATOM 693 O SER A 46 8.159 -2.377 16.594 1.00 0.00 O ATOM 694 CB SER A 46 5.374 -2.467 16.997 1.00 0.00 C ATOM 695 OG SER A 46 5.592 -3.835 17.310 1.00 0.00 O ATOM 0 H SER A 46 5.691 -3.657 14.129 1.00 0.00 H new ATOM 0 HA SER A 46 5.934 -1.081 15.382 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.826 -1.834 17.761 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.306 -2.251 16.995 1.00 0.00 H new ATOM 0 HG SER A 46 5.207 -4.035 18.189 1.00 0.00 H new ATOM 701 N TYR A 47 7.994 -2.999 14.489 1.00 0.00 N ATOM 702 CA TYR A 47 9.450 -3.360 14.453 1.00 0.00 C ATOM 703 C TYR A 47 10.315 -2.093 14.310 1.00 0.00 C ATOM 704 O TYR A 47 11.479 -2.090 14.667 1.00 0.00 O ATOM 705 CB TYR A 47 9.623 -4.283 13.236 1.00 0.00 C ATOM 706 CG TYR A 47 9.313 -3.534 11.961 1.00 0.00 C ATOM 707 CD1 TYR A 47 10.250 -2.647 11.418 1.00 0.00 C ATOM 708 CD2 TYR A 47 8.085 -3.726 11.328 1.00 0.00 C ATOM 709 CE1 TYR A 47 9.954 -1.952 10.246 1.00 0.00 C ATOM 710 CE2 TYR A 47 7.789 -3.036 10.158 1.00 0.00 C ATOM 711 CZ TYR A 47 8.723 -2.145 9.614 1.00 0.00 C ATOM 712 OH TYR A 47 8.426 -1.457 8.456 1.00 0.00 O ATOM 0 H TYR A 47 7.484 -3.149 13.619 1.00 0.00 H new ATOM 0 HA TYR A 47 9.766 -3.854 15.372 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.644 -4.664 13.203 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.963 -5.146 13.329 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.202 -2.501 11.907 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.363 -4.411 11.747 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.675 -1.266 9.827 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.838 -3.187 9.668 1.00 0.00 H new ATOM 0 HH TYR A 47 8.142 -2.089 7.763 1.00 0.00 H new ATOM 722 N GLY A 48 9.757 -1.024 13.785 1.00 0.00 N ATOM 723 CA GLY A 48 10.541 0.235 13.612 1.00 0.00 C ATOM 724 C GLY A 48 10.578 0.610 12.126 1.00 0.00 C ATOM 725 O GLY A 48 11.620 0.580 11.498 1.00 0.00 O ATOM 0 H GLY A 48 8.788 -0.974 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.089 1.041 14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.554 0.101 13.990 1.00 0.00 H new ATOM 729 N ARG A 49 9.447 0.964 11.562 1.00 0.00 N ATOM 730 CA ARG A 49 9.405 1.346 10.116 1.00 0.00 C ATOM 731 C ARG A 49 10.134 2.681 9.900 1.00 0.00 C ATOM 732 O ARG A 49 10.316 3.454 10.823 1.00 0.00 O ATOM 733 CB ARG A 49 7.918 1.473 9.784 1.00 0.00 C ATOM 734 CG ARG A 49 7.733 1.550 8.263 1.00 0.00 C ATOM 735 CD ARG A 49 6.291 1.939 7.929 1.00 0.00 C ATOM 736 NE ARG A 49 5.459 0.946 8.665 1.00 0.00 N ATOM 737 CZ ARG A 49 4.417 1.346 9.346 1.00 0.00 C ATOM 738 NH1 ARG A 49 3.480 2.043 8.755 1.00 0.00 N ATOM 739 NH2 ARG A 49 4.318 1.056 10.617 1.00 0.00 N ATOM 0 H ARG A 49 8.549 1.005 12.044 1.00 0.00 H new ATOM 0 HA ARG A 49 9.899 0.614 9.477 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.372 0.619 10.184 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.505 2.364 10.256 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.422 2.281 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.973 0.588 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.070 2.957 8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.106 1.895 6.856 1.00 0.00 H new ATOM 0 HE ARG A 49 5.702 -0.044 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.563 2.273 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.666 2.356 9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.053 0.518 11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.506 1.367 11.149 1.00 0.00 H new ATOM 753 N LYS A 50 10.563 2.948 8.692 1.00 0.00 N ATOM 754 CA LYS A 50 11.295 4.223 8.415 1.00 0.00 C ATOM 755 C LYS A 50 10.545 5.115 7.407 1.00 0.00 C ATOM 756 O LYS A 50 10.963 6.229 7.150 1.00 0.00 O ATOM 757 CB LYS A 50 12.654 3.788 7.846 1.00 0.00 C ATOM 758 CG LYS A 50 12.461 2.913 6.597 1.00 0.00 C ATOM 759 CD LYS A 50 12.684 1.436 6.947 1.00 0.00 C ATOM 760 CE LYS A 50 14.084 1.241 7.540 1.00 0.00 C ATOM 761 NZ LYS A 50 14.463 -0.148 7.147 1.00 0.00 N ATOM 0 H LYS A 50 10.438 2.338 7.884 1.00 0.00 H new ATOM 0 HA LYS A 50 11.393 4.823 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.247 4.667 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.211 3.235 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.456 3.052 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.159 3.219 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.929 1.105 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.570 0.821 6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.789 1.972 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.077 1.359 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.412 -0.366 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.776 -0.821 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.466 -0.227 6.110 1.00 0.00 H new ATOM 775 N LYS A 51 9.452 4.639 6.838 1.00 0.00 N ATOM 776 CA LYS A 51 8.660 5.450 5.840 1.00 0.00 C ATOM 777 C LYS A 51 9.401 5.574 4.497 1.00 0.00 C ATOM 778 O LYS A 51 8.821 5.364 3.448 1.00 0.00 O ATOM 779 CB LYS A 51 8.454 6.833 6.471 1.00 0.00 C ATOM 780 CG LYS A 51 6.955 7.137 6.560 1.00 0.00 C ATOM 781 CD LYS A 51 6.459 6.874 7.985 1.00 0.00 C ATOM 782 CE LYS A 51 6.321 5.366 8.213 1.00 0.00 C ATOM 783 NZ LYS A 51 5.708 5.249 9.568 1.00 0.00 N ATOM 0 H LYS A 51 9.070 3.712 7.025 1.00 0.00 H new ATOM 0 HA LYS A 51 7.709 4.964 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.901 6.861 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.955 7.595 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.768 8.175 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.405 6.516 5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.156 7.299 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.499 7.365 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.692 4.905 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.290 4.868 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.883 4.296 9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.130 5.957 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.683 5.412 9.501 1.00 0.00 H new ATOM 797 N ARG A 52 10.669 5.915 4.517 1.00 0.00 N ATOM 798 CA ARG A 52 11.438 6.053 3.240 1.00 0.00 C ATOM 799 C ARG A 52 11.678 4.676 2.603 1.00 0.00 C ATOM 800 O ARG A 52 12.166 4.580 1.492 1.00 0.00 O ATOM 801 CB ARG A 52 12.775 6.710 3.618 1.00 0.00 C ATOM 802 CG ARG A 52 12.570 7.923 4.549 1.00 0.00 C ATOM 803 CD ARG A 52 11.283 8.695 4.205 1.00 0.00 C ATOM 804 NE ARG A 52 11.427 9.071 2.768 1.00 0.00 N ATOM 805 CZ ARG A 52 12.260 10.015 2.414 1.00 0.00 C ATOM 806 NH1 ARG A 52 11.961 11.269 2.637 1.00 0.00 N ATOM 807 NH2 ARG A 52 13.391 9.706 1.833 1.00 0.00 N ATOM 0 H ARG A 52 11.204 6.104 5.365 1.00 0.00 H new ATOM 0 HA ARG A 52 10.892 6.651 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.415 5.977 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.293 7.029 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.525 7.584 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.427 8.591 4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.399 8.078 4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.173 9.578 4.834 1.00 0.00 H new ATOM 0 HE ARG A 52 10.874 8.590 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.078 11.511 3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.611 12.005 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.623 8.729 1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.040 10.442 1.557 1.00 0.00 H new ATOM 821 N ARG A 53 11.325 3.610 3.292 1.00 0.00 N ATOM 822 CA ARG A 53 11.511 2.238 2.725 1.00 0.00 C ATOM 823 C ARG A 53 10.751 2.096 1.394 1.00 0.00 C ATOM 824 O ARG A 53 11.054 1.233 0.593 1.00 0.00 O ATOM 825 CB ARG A 53 10.935 1.285 3.784 1.00 0.00 C ATOM 826 CG ARG A 53 9.441 1.568 4.009 1.00 0.00 C ATOM 827 CD ARG A 53 8.603 0.632 3.134 1.00 0.00 C ATOM 828 NE ARG A 53 7.192 0.889 3.547 1.00 0.00 N ATOM 829 CZ ARG A 53 6.232 0.850 2.658 1.00 0.00 C ATOM 830 NH1 ARG A 53 6.325 0.051 1.623 1.00 0.00 N ATOM 831 NH2 ARG A 53 5.175 1.606 2.807 1.00 0.00 N ATOM 0 H ARG A 53 10.915 3.636 4.226 1.00 0.00 H new ATOM 0 HA ARG A 53 12.558 2.022 2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.071 0.252 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.478 1.403 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.188 1.424 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.217 2.607 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.750 0.843 2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.878 -0.411 3.293 1.00 0.00 H new ATOM 0 HE ARG A 53 6.976 1.095 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.147 -0.542 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.576 0.023 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.100 2.224 3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.426 1.577 2.115 1.00 0.00 H new ATOM 845 N GLN A 54 9.772 2.941 1.151 1.00 0.00 N ATOM 846 CA GLN A 54 9.003 2.860 -0.130 1.00 0.00 C ATOM 847 C GLN A 54 9.899 3.263 -1.305 1.00 0.00 C ATOM 848 O GLN A 54 9.822 2.689 -2.375 1.00 0.00 O ATOM 849 CB GLN A 54 7.852 3.865 0.011 1.00 0.00 C ATOM 850 CG GLN A 54 6.926 3.448 1.155 1.00 0.00 C ATOM 851 CD GLN A 54 5.903 4.557 1.417 1.00 0.00 C ATOM 852 OE1 GLN A 54 4.732 4.396 1.140 1.00 0.00 O ATOM 853 NE2 GLN A 54 6.297 5.684 1.946 1.00 0.00 N ATOM 0 H GLN A 54 9.475 3.682 1.786 1.00 0.00 H new ATOM 0 HA GLN A 54 8.640 1.849 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.251 4.862 0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.290 3.919 -0.921 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.414 2.519 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.508 3.256 2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.280 5.822 2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.621 6.427 2.126 1.00 0.00 H new ATOM 862 N ARG A 55 10.741 4.258 -1.110 1.00 0.00 N ATOM 863 CA ARG A 55 11.647 4.730 -2.209 1.00 0.00 C ATOM 864 C ARG A 55 10.825 5.154 -3.442 1.00 0.00 C ATOM 865 O ARG A 55 11.309 5.130 -4.559 1.00 0.00 O ATOM 866 CB ARG A 55 12.557 3.538 -2.538 1.00 0.00 C ATOM 867 CG ARG A 55 13.551 3.316 -1.393 1.00 0.00 C ATOM 868 CD ARG A 55 14.844 2.708 -1.945 1.00 0.00 C ATOM 869 NE ARG A 55 15.648 2.383 -0.731 1.00 0.00 N ATOM 870 CZ ARG A 55 16.464 1.361 -0.740 1.00 0.00 C ATOM 871 NH1 ARG A 55 17.575 1.417 -1.430 1.00 0.00 N ATOM 872 NH2 ARG A 55 16.171 0.285 -0.057 1.00 0.00 N ATOM 0 H ARG A 55 10.838 4.765 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 55 12.228 5.601 -1.908 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.957 2.641 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 55 13.094 3.724 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 55 13.765 4.262 -0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.117 2.654 -0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 55 14.642 1.816 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.369 3.410 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 55 15.561 2.958 0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.804 2.258 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.212 0.620 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.306 0.243 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.807 -0.512 -0.064 1.00 0.00 H new ATOM 886 N ARG A 56 9.587 5.550 -3.239 1.00 0.00 N ATOM 887 CA ARG A 56 8.722 5.987 -4.380 1.00 0.00 C ATOM 888 C ARG A 56 7.525 6.796 -3.852 1.00 0.00 C ATOM 889 O ARG A 56 6.415 6.675 -4.337 1.00 0.00 O ATOM 890 CB ARG A 56 8.255 4.690 -5.058 1.00 0.00 C ATOM 891 CG ARG A 56 7.208 3.986 -4.186 1.00 0.00 C ATOM 892 CD ARG A 56 7.466 2.479 -4.188 1.00 0.00 C ATOM 893 NE ARG A 56 6.452 1.923 -5.134 1.00 0.00 N ATOM 894 CZ ARG A 56 6.333 0.629 -5.277 1.00 0.00 C ATOM 895 NH1 ARG A 56 5.656 -0.066 -4.400 1.00 0.00 N ATOM 896 NH2 ARG A 56 6.892 0.032 -6.298 1.00 0.00 N ATOM 0 H ARG A 56 9.138 5.588 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 56 9.254 6.631 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.832 4.914 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.106 4.029 -5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.251 4.371 -3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.207 4.194 -4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.480 2.251 -4.516 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.351 2.056 -3.190 1.00 0.00 H new ATOM 0 HE ARG A 56 5.853 2.553 -5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.221 0.402 -3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.563 -1.076 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.420 0.576 -6.981 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.800 -0.978 -6.411 1.00 0.00 H new ATOM 910 N ARG A 57 7.752 7.623 -2.858 1.00 0.00 N ATOM 911 CA ARG A 57 6.645 8.450 -2.281 1.00 0.00 C ATOM 912 C ARG A 57 5.923 9.271 -3.370 1.00 0.00 C ATOM 913 O ARG A 57 4.709 9.328 -3.375 1.00 0.00 O ATOM 914 CB ARG A 57 7.326 9.375 -1.267 1.00 0.00 C ATOM 915 CG ARG A 57 6.267 10.083 -0.420 1.00 0.00 C ATOM 916 CD ARG A 57 5.730 9.115 0.636 1.00 0.00 C ATOM 917 NE ARG A 57 4.578 9.842 1.239 1.00 0.00 N ATOM 918 CZ ARG A 57 4.758 10.603 2.287 1.00 0.00 C ATOM 919 NH1 ARG A 57 5.049 10.065 3.443 1.00 0.00 N ATOM 920 NH2 ARG A 57 4.645 11.902 2.177 1.00 0.00 N ATOM 0 H ARG A 57 8.663 7.761 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 57 5.879 7.826 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.993 8.799 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.941 10.110 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.698 10.961 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.453 10.434 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.417 8.171 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.488 8.879 1.383 1.00 0.00 H new ATOM 0 HE ARG A 57 3.647 9.746 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.135 9.052 3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.190 10.658 4.261 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.417 12.319 1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.785 12.497 2.994 1.00 0.00 H new ATOM 934 N PRO A 58 6.682 9.888 -4.258 1.00 0.00 N ATOM 935 CA PRO A 58 6.067 10.705 -5.338 1.00 0.00 C ATOM 936 C PRO A 58 5.325 9.827 -6.362 1.00 0.00 C ATOM 937 O PRO A 58 4.500 10.317 -7.112 1.00 0.00 O ATOM 938 CB PRO A 58 7.256 11.412 -5.984 1.00 0.00 C ATOM 939 CG PRO A 58 8.425 10.531 -5.680 1.00 0.00 C ATOM 940 CD PRO A 58 8.153 9.887 -4.345 1.00 0.00 C ATOM 0 HA PRO A 58 5.317 11.398 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.114 11.526 -7.059 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.395 12.412 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.550 9.775 -6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 58 9.347 11.111 -5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.558 8.876 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.604 10.450 -3.528 1.00 0.00 H new ATOM 948 N SER A 59 5.599 8.542 -6.404 1.00 0.00 N ATOM 949 CA SER A 59 4.894 7.660 -7.384 1.00 0.00 C ATOM 950 C SER A 59 3.513 7.280 -6.845 1.00 0.00 C ATOM 951 O SER A 59 3.390 6.451 -5.968 1.00 0.00 O ATOM 952 CB SER A 59 5.782 6.420 -7.530 1.00 0.00 C ATOM 953 OG SER A 59 7.050 6.800 -8.047 1.00 0.00 O ATOM 0 H SER A 59 6.277 8.071 -5.805 1.00 0.00 H new ATOM 0 HA SER A 59 4.738 8.152 -8.344 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.904 5.932 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.309 5.697 -8.195 1.00 0.00 H new ATOM 0 HG SER A 59 7.617 6.006 -8.138 1.00 0.00 H new ATOM 959 N GLN A 60 2.475 7.892 -7.365 1.00 0.00 N ATOM 960 CA GLN A 60 1.089 7.584 -6.895 1.00 0.00 C ATOM 961 C GLN A 60 0.087 7.723 -8.051 1.00 0.00 C ATOM 962 O GLN A 60 -1.082 7.989 -7.839 1.00 0.00 O ATOM 963 CB GLN A 60 0.791 8.611 -5.801 1.00 0.00 C ATOM 964 CG GLN A 60 1.795 8.440 -4.661 1.00 0.00 C ATOM 965 CD GLN A 60 1.675 9.590 -3.652 1.00 0.00 C ATOM 966 OE1 GLN A 60 1.889 9.396 -2.473 1.00 0.00 O ATOM 967 NE2 GLN A 60 1.354 10.791 -4.061 1.00 0.00 N ATOM 0 H GLN A 60 2.531 8.597 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 60 1.005 6.563 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.853 9.621 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.225 8.479 -5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.622 7.489 -4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.807 8.408 -5.064 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.173 10.961 -5.050 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.285 11.557 -3.391 1.00 0.00 H new ATOM 976 N GLY A 61 0.537 7.536 -9.269 1.00 0.00 N ATOM 977 CA GLY A 61 -0.382 7.644 -10.444 1.00 0.00 C ATOM 978 C GLY A 61 -1.203 6.358 -10.543 1.00 0.00 C ATOM 979 O GLY A 61 -0.915 5.484 -11.338 1.00 0.00 O ATOM 0 H GLY A 61 1.505 7.312 -9.499 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.041 8.505 -10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.190 7.798 -11.359 1.00 0.00 H new ATOM 983 N GLY A 62 -2.208 6.233 -9.716 1.00 0.00 N ATOM 984 CA GLY A 62 -3.047 5.000 -9.719 1.00 0.00 C ATOM 985 C GLY A 62 -2.385 3.951 -8.816 1.00 0.00 C ATOM 986 O GLY A 62 -2.642 2.767 -8.938 1.00 0.00 O ATOM 0 H GLY A 62 -2.485 6.939 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.052 5.226 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.149 4.615 -10.734 1.00 0.00 H new ATOM 990 N GLN A 63 -1.529 4.379 -7.913 1.00 0.00 N ATOM 991 CA GLN A 63 -0.840 3.422 -7.003 1.00 0.00 C ATOM 992 C GLN A 63 -1.776 2.939 -5.894 1.00 0.00 C ATOM 993 O GLN A 63 -1.542 1.904 -5.299 1.00 0.00 O ATOM 994 CB GLN A 63 0.309 4.222 -6.397 1.00 0.00 C ATOM 995 CG GLN A 63 1.358 4.525 -7.470 1.00 0.00 C ATOM 996 CD GLN A 63 2.000 3.232 -7.993 1.00 0.00 C ATOM 997 OE1 GLN A 63 2.123 2.197 -7.204 1.00 0.00 O flip ATOM 998 NE2 GLN A 63 2.395 3.165 -9.140 1.00 0.00 N flip ATOM 0 H GLN A 63 -1.281 5.358 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.504 2.533 -7.537 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.069 5.152 -5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.763 3.661 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.894 5.064 -8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.128 5.176 -7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.301 3.970 -9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.820 2.304 -9.483 1.00 0.00 H new ATOM 1007 N THR A 64 -2.821 3.686 -5.594 1.00 0.00 N ATOM 1008 CA THR A 64 -3.752 3.277 -4.498 1.00 0.00 C ATOM 1009 C THR A 64 -2.922 2.891 -3.267 1.00 0.00 C ATOM 1010 O THR A 64 -3.082 1.835 -2.681 1.00 0.00 O ATOM 1011 CB THR A 64 -4.520 2.086 -5.064 1.00 0.00 C ATOM 1012 OG1 THR A 64 -5.351 2.532 -6.124 1.00 0.00 O ATOM 1013 CG2 THR A 64 -5.384 1.444 -3.979 1.00 0.00 C ATOM 0 H THR A 64 -3.064 4.558 -6.063 1.00 0.00 H new ATOM 0 HA THR A 64 -4.438 4.064 -4.185 1.00 0.00 H new ATOM 0 HB THR A 64 -3.809 1.345 -5.430 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.081 2.094 -6.958 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.925 0.596 -4.399 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.748 1.100 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.096 2.177 -3.600 1.00 0.00 H new ATOM 1021 N HIS A 65 -2.008 3.747 -2.899 1.00 0.00 N ATOM 1022 CA HIS A 65 -1.125 3.461 -1.735 1.00 0.00 C ATOM 1023 C HIS A 65 -1.900 3.586 -0.418 1.00 0.00 C ATOM 1024 O HIS A 65 -3.034 4.027 -0.387 1.00 0.00 O ATOM 1025 CB HIS A 65 -0.023 4.511 -1.810 1.00 0.00 C ATOM 1026 CG HIS A 65 1.051 4.083 -2.776 1.00 0.00 C ATOM 1027 ND1 HIS A 65 1.412 2.857 -3.284 1.00 0.00 N flip ATOM 1028 CD2 HIS A 65 1.924 4.995 -3.347 1.00 0.00 C flip ATOM 1029 CE1 HIS A 65 2.488 3.009 -4.150 1.00 0.00 C flip ATOM 1030 NE2 HIS A 65 2.754 4.313 -4.154 1.00 0.00 N flip ATOM 0 H HIS A 65 -1.835 4.640 -3.360 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.729 2.446 -1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.444 5.466 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.409 4.664 -0.821 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.935 6.061 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.999 2.234 -4.702 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.498 4.743 -4.703 1.00 0.00 H new ATOM 1038 N GLN A 66 -1.293 3.171 0.664 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.974 3.225 1.988 1.00 0.00 C ATOM 1040 C GLN A 66 -1.253 4.191 2.928 1.00 0.00 C ATOM 1041 O GLN A 66 -1.870 4.988 3.602 1.00 0.00 O ATOM 1042 CB GLN A 66 -1.879 1.797 2.529 1.00 0.00 C ATOM 1043 CG GLN A 66 -2.625 0.835 1.603 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.611 0.038 0.773 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.286 0.457 -0.423 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -1.109 -0.976 1.217 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.346 2.794 0.685 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.003 3.576 1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.834 1.499 2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.303 1.751 3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.245 0.157 2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.293 1.391 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.361 -1.304 2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.435 -1.499 0.657 1.00 0.00 H new ATOM 1055 N ASP A 67 0.048 4.108 2.986 1.00 0.00 N ATOM 1056 CA ASP A 67 0.822 5.004 3.893 1.00 0.00 C ATOM 1057 C ASP A 67 0.997 6.413 3.287 1.00 0.00 C ATOM 1058 O ASP A 67 0.799 7.394 3.978 1.00 0.00 O ATOM 1059 CB ASP A 67 2.174 4.303 4.072 1.00 0.00 C ATOM 1060 CG ASP A 67 3.170 5.239 4.765 1.00 0.00 C ATOM 1061 OD1 ASP A 67 3.068 5.396 5.971 1.00 0.00 O ATOM 1062 OD2 ASP A 67 4.021 5.779 4.077 1.00 0.00 O ATOM 0 H ASP A 67 0.611 3.455 2.442 1.00 0.00 H new ATOM 0 HA ASP A 67 0.310 5.160 4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.046 3.396 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.565 3.999 3.101 1.00 0.00 H new ATOM 1067 N PRO A 68 1.382 6.479 2.027 1.00 0.00 N ATOM 1068 CA PRO A 68 1.594 7.793 1.371 1.00 0.00 C ATOM 1069 C PRO A 68 0.272 8.474 0.949 1.00 0.00 C ATOM 1070 O PRO A 68 0.178 9.686 0.989 1.00 0.00 O ATOM 1071 CB PRO A 68 2.445 7.456 0.153 1.00 0.00 C ATOM 1072 CG PRO A 68 2.140 6.024 -0.154 1.00 0.00 C ATOM 1073 CD PRO A 68 1.663 5.360 1.116 1.00 0.00 C ATOM 0 HA PRO A 68 2.065 8.507 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.198 8.101 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.505 7.597 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.376 5.956 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.028 5.520 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.772 4.757 0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.422 4.694 1.526 1.00 0.00 H new ATOM 1081 N ILE A 69 -0.745 7.737 0.532 1.00 0.00 N ATOM 1082 CA ILE A 69 -2.011 8.405 0.109 1.00 0.00 C ATOM 1083 C ILE A 69 -3.234 7.826 0.860 1.00 0.00 C ATOM 1084 O ILE A 69 -4.254 7.544 0.258 1.00 0.00 O ATOM 1085 CB ILE A 69 -2.101 8.183 -1.423 1.00 0.00 C ATOM 1086 CG1 ILE A 69 -2.729 6.828 -1.757 1.00 0.00 C ATOM 1087 CG2 ILE A 69 -0.702 8.228 -2.041 1.00 0.00 C ATOM 1088 CD1 ILE A 69 -3.972 7.053 -2.612 1.00 0.00 C ATOM 0 H ILE A 69 -0.745 6.719 0.470 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.011 9.468 0.351 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.727 8.977 -1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.013 6.203 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.993 6.299 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.774 8.071 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.249 9.200 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.085 7.445 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.426 6.092 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.687 7.663 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.692 7.565 -3.533 1.00 0.00 H new ATOM 1100 N PRO A 70 -3.121 7.714 2.172 1.00 0.00 N ATOM 1101 CA PRO A 70 -4.262 7.211 2.988 1.00 0.00 C ATOM 1102 C PRO A 70 -5.416 8.224 2.934 1.00 0.00 C ATOM 1103 O PRO A 70 -6.511 7.962 3.396 1.00 0.00 O ATOM 1104 CB PRO A 70 -3.686 7.102 4.398 1.00 0.00 C ATOM 1105 CG PRO A 70 -2.545 8.068 4.401 1.00 0.00 C ATOM 1106 CD PRO A 70 -1.962 8.047 3.009 1.00 0.00 C ATOM 0 HA PRO A 70 -4.664 6.260 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.429 7.360 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.350 6.088 4.614 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.885 9.070 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.796 7.782 5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.531 9.011 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.169 7.305 2.914 1.00 0.00 H new ATOM 1114 N LYS A 71 -5.164 9.373 2.350 1.00 0.00 N ATOM 1115 CA LYS A 71 -6.203 10.428 2.213 1.00 0.00 C ATOM 1116 C LYS A 71 -7.432 9.876 1.497 1.00 0.00 C ATOM 1117 O LYS A 71 -8.559 10.148 1.865 1.00 0.00 O ATOM 1118 CB LYS A 71 -5.563 11.472 1.292 1.00 0.00 C ATOM 1119 CG LYS A 71 -4.659 12.434 2.048 1.00 0.00 C ATOM 1120 CD LYS A 71 -3.281 11.807 2.287 1.00 0.00 C ATOM 1121 CE LYS A 71 -3.153 11.381 3.753 1.00 0.00 C ATOM 1122 NZ LYS A 71 -2.944 12.658 4.500 1.00 0.00 N ATOM 0 H LYS A 71 -4.257 9.623 1.955 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.512 10.815 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.985 10.965 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.347 12.036 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.550 13.359 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.115 12.696 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.146 10.944 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.497 12.522 2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.049 10.864 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.316 10.697 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.187 12.530 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.675 13.410 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.824 12.924 4.986 1.00 0.00 H new ATOM 1136 N GLN A 72 -7.202 9.155 0.425 1.00 0.00 N ATOM 1137 CA GLN A 72 -8.323 8.630 -0.402 1.00 0.00 C ATOM 1138 C GLN A 72 -7.763 7.678 -1.458 1.00 0.00 C ATOM 1139 O GLN A 72 -6.578 7.407 -1.466 1.00 0.00 O ATOM 1140 CB GLN A 72 -8.921 9.876 -1.104 1.00 0.00 C ATOM 1141 CG GLN A 72 -7.999 11.111 -0.984 1.00 0.00 C ATOM 1142 CD GLN A 72 -6.896 11.114 -2.060 1.00 0.00 C ATOM 1143 OE1 GLN A 72 -5.714 10.566 -1.824 1.00 0.00 O flip ATOM 1144 NE2 GLN A 72 -7.109 11.633 -3.139 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.272 8.908 0.088 1.00 0.00 H new ATOM 0 HA GLN A 72 -9.063 8.092 0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.090 9.652 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.893 10.106 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.595 12.019 -1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.541 11.127 0.005 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.016 12.058 -3.330 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.380 11.643 -3.853 1.00 0.00 H new ATOM 1153 N PRO A 73 -8.614 7.237 -2.356 1.00 0.00 N ATOM 1154 CA PRO A 73 -8.146 6.364 -3.454 1.00 0.00 C ATOM 1155 C PRO A 73 -7.142 7.160 -4.298 1.00 0.00 C ATOM 1156 O PRO A 73 -6.055 6.692 -4.575 1.00 0.00 O ATOM 1157 CB PRO A 73 -9.423 6.039 -4.228 1.00 0.00 C ATOM 1158 CG PRO A 73 -10.340 7.170 -3.887 1.00 0.00 C ATOM 1159 CD PRO A 73 -10.059 7.495 -2.446 1.00 0.00 C ATOM 0 HA PRO A 73 -7.640 5.453 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.238 5.983 -5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.841 5.079 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.154 8.032 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.383 6.886 -4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.306 8.529 -2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.630 6.864 -1.765 1.00 0.00 H new ATOM 1167 N SER A 74 -7.499 8.382 -4.661 1.00 0.00 N ATOM 1168 CA SER A 74 -6.586 9.273 -5.449 1.00 0.00 C ATOM 1169 C SER A 74 -6.202 8.641 -6.789 1.00 0.00 C ATOM 1170 O SER A 74 -5.945 7.463 -6.881 1.00 0.00 O ATOM 1171 CB SER A 74 -5.363 9.480 -4.550 1.00 0.00 C ATOM 1172 OG SER A 74 -4.247 9.898 -5.323 1.00 0.00 O ATOM 0 H SER A 74 -8.402 8.800 -4.437 1.00 0.00 H new ATOM 0 HA SER A 74 -7.064 10.219 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.586 10.227 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.126 8.553 -4.028 1.00 0.00 H new ATOM 0 HG SER A 74 -3.473 10.028 -4.736 1.00 0.00 H new ATOM 1178 N SER A 75 -6.169 9.425 -7.839 1.00 0.00 N ATOM 1179 CA SER A 75 -5.816 8.869 -9.183 1.00 0.00 C ATOM 1180 C SER A 75 -6.783 7.730 -9.545 1.00 0.00 C ATOM 1181 O SER A 75 -6.434 6.788 -10.233 1.00 0.00 O ATOM 1182 CB SER A 75 -4.378 8.360 -9.039 1.00 0.00 C ATOM 1183 OG SER A 75 -3.514 9.143 -9.849 1.00 0.00 O ATOM 0 H SER A 75 -6.371 10.425 -7.824 1.00 0.00 H new ATOM 0 HA SER A 75 -5.894 9.608 -9.980 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.065 8.414 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.321 7.312 -9.335 1.00 0.00 H new ATOM 0 HG SER A 75 -2.749 9.444 -9.315 1.00 0.00 H new ATOM 1189 N GLN A 76 -8.002 7.829 -9.075 1.00 0.00 N ATOM 1190 CA GLN A 76 -9.034 6.784 -9.360 1.00 0.00 C ATOM 1191 C GLN A 76 -10.385 7.456 -9.649 1.00 0.00 C ATOM 1192 O GLN A 76 -10.925 7.291 -10.727 1.00 0.00 O ATOM 1193 CB GLN A 76 -9.109 5.926 -8.093 1.00 0.00 C ATOM 1194 CG GLN A 76 -8.284 4.653 -8.281 1.00 0.00 C ATOM 1195 CD GLN A 76 -7.265 4.541 -7.147 1.00 0.00 C ATOM 1196 OE1 GLN A 76 -6.051 4.985 -7.331 1.00 0.00 O flip ATOM 1197 NE2 GLN A 76 -7.578 4.051 -6.080 1.00 0.00 N flip ATOM 0 H GLN A 76 -8.331 8.602 -8.497 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.783 6.179 -10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.735 6.490 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.146 5.670 -7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.937 3.780 -8.287 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.773 4.675 -9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.526 3.704 -5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.892 3.986 -5.328 1.00 0.00 H new ATOM 1206 N PRO A 77 -10.886 8.215 -8.689 1.00 0.00 N ATOM 1207 CA PRO A 77 -12.171 8.922 -8.893 1.00 0.00 C ATOM 1208 C PRO A 77 -11.964 10.116 -9.833 1.00 0.00 C ATOM 1209 O PRO A 77 -12.902 10.625 -10.417 1.00 0.00 O ATOM 1210 CB PRO A 77 -12.562 9.387 -7.492 1.00 0.00 C ATOM 1211 CG PRO A 77 -11.274 9.475 -6.740 1.00 0.00 C ATOM 1212 CD PRO A 77 -10.318 8.485 -7.354 1.00 0.00 C ATOM 0 HA PRO A 77 -12.940 8.298 -9.349 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.067 10.352 -7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -13.248 8.683 -7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.867 10.485 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.431 9.252 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.311 8.895 -7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -10.250 7.575 -6.758 1.00 0.00 H new ATOM 1220 N ARG A 78 -10.737 10.567 -9.974 1.00 0.00 N ATOM 1221 CA ARG A 78 -10.453 11.731 -10.865 1.00 0.00 C ATOM 1222 C ARG A 78 -9.263 11.441 -11.802 1.00 0.00 C ATOM 1223 O ARG A 78 -8.819 12.314 -12.523 1.00 0.00 O ATOM 1224 CB ARG A 78 -10.095 12.873 -9.905 1.00 0.00 C ATOM 1225 CG ARG A 78 -11.104 12.940 -8.755 1.00 0.00 C ATOM 1226 CD ARG A 78 -10.843 14.194 -7.917 1.00 0.00 C ATOM 1227 NE ARG A 78 -11.967 14.224 -6.934 1.00 0.00 N ATOM 1228 CZ ARG A 78 -12.023 15.170 -6.034 1.00 0.00 C ATOM 1229 NH1 ARG A 78 -12.464 16.357 -6.361 1.00 0.00 N ATOM 1230 NH2 ARG A 78 -11.638 14.928 -4.808 1.00 0.00 N ATOM 0 H ARG A 78 -9.920 10.174 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.303 11.964 -11.506 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.091 12.722 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.085 13.820 -10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.120 12.959 -9.150 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.020 12.050 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.877 14.142 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.833 15.091 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.691 13.506 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.764 16.544 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.508 17.096 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.294 14.002 -4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.681 15.666 -4.105 1.00 0.00 H new ATOM 1244 N GLY A 79 -8.735 10.235 -11.794 1.00 0.00 N ATOM 1245 CA GLY A 79 -7.572 9.920 -12.678 1.00 0.00 C ATOM 1246 C GLY A 79 -7.902 8.735 -13.589 1.00 0.00 C ATOM 1247 O GLY A 79 -8.737 8.832 -14.468 1.00 0.00 O ATOM 0 H GLY A 79 -9.061 9.462 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.319 10.792 -13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.697 9.688 -12.071 1.00 0.00 H new ATOM 1251 N ASP A 80 -7.243 7.619 -13.388 1.00 0.00 N ATOM 1252 CA ASP A 80 -7.504 6.421 -14.247 1.00 0.00 C ATOM 1253 C ASP A 80 -8.821 5.743 -13.841 1.00 0.00 C ATOM 1254 O ASP A 80 -9.114 5.620 -12.666 1.00 0.00 O ATOM 1255 CB ASP A 80 -6.322 5.478 -13.998 1.00 0.00 C ATOM 1256 CG ASP A 80 -5.056 6.056 -14.637 1.00 0.00 C ATOM 1257 OD1 ASP A 80 -4.903 5.913 -15.839 1.00 0.00 O ATOM 1258 OD2 ASP A 80 -4.260 6.630 -13.911 1.00 0.00 O ATOM 0 H ASP A 80 -6.535 7.486 -12.666 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.597 6.691 -15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.171 5.343 -12.927 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.535 4.494 -14.416 1.00 0.00 H new ATOM 1263 N PRO A 81 -9.573 5.320 -14.834 1.00 0.00 N ATOM 1264 CA PRO A 81 -10.869 4.644 -14.573 1.00 0.00 C ATOM 1265 C PRO A 81 -10.632 3.224 -14.039 1.00 0.00 C ATOM 1266 O PRO A 81 -10.547 2.272 -14.794 1.00 0.00 O ATOM 1267 CB PRO A 81 -11.542 4.607 -15.943 1.00 0.00 C ATOM 1268 CG PRO A 81 -10.409 4.659 -16.922 1.00 0.00 C ATOM 1269 CD PRO A 81 -9.290 5.436 -16.274 1.00 0.00 C ATOM 0 HA PRO A 81 -11.475 5.154 -13.824 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.134 3.701 -16.070 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.219 5.451 -16.075 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.078 3.653 -17.181 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.724 5.139 -17.849 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.315 5.019 -16.525 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.285 6.477 -16.599 1.00 0.00 H new ATOM 1277 N THR A 82 -10.524 3.079 -12.742 1.00 0.00 N ATOM 1278 CA THR A 82 -10.294 1.723 -12.148 1.00 0.00 C ATOM 1279 C THR A 82 -11.561 0.876 -12.267 1.00 0.00 C ATOM 1280 O THR A 82 -11.534 -0.231 -12.771 1.00 0.00 O ATOM 1281 CB THR A 82 -9.955 1.960 -10.670 1.00 0.00 C ATOM 1282 OG1 THR A 82 -10.729 3.047 -10.161 1.00 0.00 O ATOM 1283 CG2 THR A 82 -8.460 2.269 -10.535 1.00 0.00 C ATOM 0 H THR A 82 -10.585 3.841 -12.067 1.00 0.00 H new ATOM 0 HA THR A 82 -9.493 1.191 -12.662 1.00 0.00 H new ATOM 0 HB THR A 82 -10.191 1.064 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.180 3.859 -10.143 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.217 2.438 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.879 1.427 -10.911 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.220 3.162 -11.111 1.00 0.00 H new ATOM 1291 N GLY A 83 -12.670 1.392 -11.803 1.00 0.00 N ATOM 1292 CA GLY A 83 -13.942 0.628 -11.883 1.00 0.00 C ATOM 1293 C GLY A 83 -15.074 1.458 -11.274 1.00 0.00 C ATOM 1294 O GLY A 83 -15.638 2.311 -11.934 1.00 0.00 O ATOM 0 H GLY A 83 -12.745 2.313 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.170 0.389 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.844 -0.319 -11.352 1.00 0.00 H new ATOM 1298 N PRO A 84 -15.372 1.176 -10.030 1.00 0.00 N ATOM 1299 CA PRO A 84 -16.443 1.883 -9.309 1.00 0.00 C ATOM 1300 C PRO A 84 -15.875 3.010 -8.431 1.00 0.00 C ATOM 1301 O PRO A 84 -16.572 3.565 -7.601 1.00 0.00 O ATOM 1302 CB PRO A 84 -17.029 0.769 -8.444 1.00 0.00 C ATOM 1303 CG PRO A 84 -15.909 -0.236 -8.274 1.00 0.00 C ATOM 1304 CD PRO A 84 -14.758 0.176 -9.167 1.00 0.00 C ATOM 0 HA PRO A 84 -17.166 2.366 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -17.362 1.154 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.896 0.314 -8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.587 -0.273 -7.233 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.254 -1.236 -8.537 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.928 0.589 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.365 -0.666 -9.737 1.00 0.00 H new ATOM 1312 N LYS A 85 -14.622 3.358 -8.608 1.00 0.00 N ATOM 1313 CA LYS A 85 -14.025 4.453 -7.781 1.00 0.00 C ATOM 1314 C LYS A 85 -14.263 5.811 -8.457 1.00 0.00 C ATOM 1315 O LYS A 85 -13.927 6.842 -7.914 1.00 0.00 O ATOM 1316 CB LYS A 85 -12.517 4.151 -7.700 1.00 0.00 C ATOM 1317 CG LYS A 85 -12.253 2.646 -7.506 1.00 0.00 C ATOM 1318 CD LYS A 85 -13.192 2.061 -6.445 1.00 0.00 C ATOM 1319 CE LYS A 85 -12.716 2.473 -5.047 1.00 0.00 C ATOM 1320 NZ LYS A 85 -13.532 1.639 -4.117 1.00 0.00 N ATOM 0 H LYS A 85 -13.990 2.933 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.474 4.499 -6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.027 4.493 -8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.077 4.708 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.394 2.123 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.217 2.490 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.209 2.415 -6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.215 0.974 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.650 2.285 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.875 3.537 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.270 1.857 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.541 1.845 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.354 0.632 -4.307 1.00 0.00 H new ATOM 1334 N GLU A 86 -14.842 5.813 -9.637 1.00 0.00 N ATOM 1335 CA GLU A 86 -15.105 7.095 -10.359 1.00 0.00 C ATOM 1336 C GLU A 86 -16.289 7.834 -9.722 1.00 0.00 C ATOM 1337 O GLU A 86 -17.375 7.274 -9.696 1.00 0.00 O ATOM 1338 CB GLU A 86 -15.434 6.675 -11.798 1.00 0.00 C ATOM 1339 CG GLU A 86 -14.263 5.873 -12.377 1.00 0.00 C ATOM 1340 CD GLU A 86 -14.513 5.584 -13.859 1.00 0.00 C ATOM 1341 OE1 GLU A 86 -14.284 6.473 -14.664 1.00 0.00 O ATOM 1342 OE2 GLU A 86 -14.925 4.477 -14.165 1.00 0.00 O ATOM 1343 OXT GLU A 86 -16.087 8.948 -9.267 1.00 0.00 O ATOM 0 H GLU A 86 -15.144 4.974 -10.131 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.255 7.776 -10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.343 6.074 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.624 7.556 -12.411 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.334 6.431 -12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.145 4.938 -11.830 1.00 0.00 H new