USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 770 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 34 HIS :FLIP no HD1:sc= -0.159 F(o=-6.3,f=-3) USER MOD Set 1.2: A 39 MET CE :methyl 167:sc= -1.9 (180deg=-2.65!) USER MOD Set 1.3: B 34 HIS : no HD1:sc=-0.00217 K(o=-3,f=-5.4) USER MOD Set 1.4: B 39 MET CE :methyl 168:sc= -0.928 (180deg=-0.915) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 169:sc= 0.00865 (180deg=0) USER MOD Set 2.2: B 51 SER OG : rot 180:sc= 0.00992 USER MOD Set 3.1: A 23 TYR OH : rot -99:sc= 0.142 USER MOD Set 3.2: A 27 GLN : amide:sc= -0.442 X(o=-0.3,f=-0.075) USER MOD Set 4.1: A 8 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 4.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -101:sc= 0 (180deg=-0.338) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.76! C(o=-1.8!,f=-1.8!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 36 ASN : amide:sc= -0.0712 K(o=-0.071,f=-9.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0179 K(o=-0.018,f=-0.74) USER MOD Single : A 48 SER OG : rot -27:sc= 0.127 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0.0512 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 10 SER OG : rot 180:sc= 0.0171 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl -154:sc= -0.0482 (180deg=-0.242) USER MOD Single : B 18 SER OG : rot 180:sc= 0.00132 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : B 21 TYR OH : rot -74:sc= 1.32 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.924 K(o=-0.92,f=-2.1!) USER MOD Single : B 27 GLN :FLIP amide:sc= -0.318 F(o=-2!,f=-0.32) USER MOD Single : B 28 LYS NZ :NH3+ 154:sc= 1.05 (180deg=0.605) USER MOD Single : B 35 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.2!) USER MOD Single : B 36 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.7!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.1) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.825 14.512 -18.473 1.00 0.00 N ATOM 2 CA GLY A 1 -20.178 14.907 -17.099 1.00 0.00 C ATOM 3 C GLY A 1 -19.544 13.945 -16.122 1.00 0.00 C ATOM 4 O GLY A 1 -19.929 12.779 -16.079 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.261 15.173 -19.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.791 14.534 -18.586 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.173 13.550 -18.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.835 15.922 -16.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.261 14.907 -16.976 1.00 0.00 H new ATOM 8 N SER A 2 -18.568 14.410 -15.352 1.00 0.00 N ATOM 9 CA SER A 2 -17.818 13.617 -14.386 1.00 0.00 C ATOM 10 C SER A 2 -18.621 13.226 -13.136 1.00 0.00 C ATOM 11 O SER A 2 -19.795 13.589 -12.985 1.00 0.00 O ATOM 12 CB SER A 2 -16.545 14.406 -14.065 1.00 0.00 C ATOM 13 OG SER A 2 -15.891 14.742 -15.283 1.00 0.00 O ATOM 0 H SER A 2 -18.266 15.384 -15.384 1.00 0.00 H new ATOM 0 HA SER A 2 -17.570 12.648 -14.820 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.792 15.310 -13.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.884 13.813 -13.433 1.00 0.00 H new ATOM 0 HG SER A 2 -15.075 15.249 -15.087 1.00 0.00 H new ATOM 19 N SER A 3 -17.994 12.433 -12.263 1.00 0.00 N ATOM 20 CA SER A 3 -18.539 11.924 -11.015 1.00 0.00 C ATOM 21 C SER A 3 -17.420 11.849 -9.961 1.00 0.00 C ATOM 22 O SER A 3 -16.240 12.010 -10.293 1.00 0.00 O ATOM 23 CB SER A 3 -19.165 10.557 -11.324 1.00 0.00 C ATOM 24 OG SER A 3 -19.932 10.080 -10.236 1.00 0.00 O ATOM 0 H SER A 3 -17.038 12.115 -12.423 1.00 0.00 H new ATOM 0 HA SER A 3 -19.307 12.576 -10.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.797 10.637 -12.209 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.378 9.840 -11.558 1.00 0.00 H new ATOM 0 HG SER A 3 -20.318 9.209 -10.465 1.00 0.00 H new ATOM 30 N GLY A 4 -17.774 11.547 -8.708 1.00 0.00 N ATOM 31 CA GLY A 4 -16.859 11.436 -7.580 1.00 0.00 C ATOM 32 C GLY A 4 -16.932 12.700 -6.736 1.00 0.00 C ATOM 33 O GLY A 4 -16.529 13.767 -7.193 1.00 0.00 O ATOM 0 H GLY A 4 -18.744 11.367 -8.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.116 10.567 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.841 11.284 -7.938 1.00 0.00 H new ATOM 37 N SER A 5 -17.483 12.595 -5.528 1.00 0.00 N ATOM 38 CA SER A 5 -17.628 13.692 -4.586 1.00 0.00 C ATOM 39 C SER A 5 -17.463 13.043 -3.212 1.00 0.00 C ATOM 40 O SER A 5 -18.357 12.329 -2.752 1.00 0.00 O ATOM 41 CB SER A 5 -18.978 14.388 -4.824 1.00 0.00 C ATOM 42 OG SER A 5 -18.986 15.720 -4.349 1.00 0.00 O ATOM 0 H SER A 5 -17.851 11.713 -5.171 1.00 0.00 H new ATOM 0 HA SER A 5 -16.892 14.489 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.204 14.384 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.768 13.823 -4.329 1.00 0.00 H new ATOM 0 HG SER A 5 -19.862 16.124 -4.522 1.00 0.00 H new ATOM 48 N SER A 6 -16.302 13.218 -2.587 1.00 0.00 N ATOM 49 CA SER A 6 -15.980 12.638 -1.290 1.00 0.00 C ATOM 50 C SER A 6 -16.989 12.978 -0.194 1.00 0.00 C ATOM 51 O SER A 6 -17.536 14.082 -0.168 1.00 0.00 O ATOM 52 CB SER A 6 -14.577 13.098 -0.891 1.00 0.00 C ATOM 53 OG SER A 6 -13.658 12.703 -1.893 1.00 0.00 O ATOM 0 H SER A 6 -15.545 13.779 -2.977 1.00 0.00 H new ATOM 0 HA SER A 6 -16.022 11.554 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.557 14.181 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.297 12.663 0.069 1.00 0.00 H new ATOM 0 HG SER A 6 -12.757 12.996 -1.644 1.00 0.00 H new ATOM 59 N GLY A 7 -17.208 12.043 0.736 1.00 0.00 N ATOM 60 CA GLY A 7 -18.136 12.266 1.832 1.00 0.00 C ATOM 61 C GLY A 7 -18.250 11.114 2.826 1.00 0.00 C ATOM 62 O GLY A 7 -18.560 11.383 3.991 1.00 0.00 O ATOM 0 H GLY A 7 -16.754 11.130 0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.829 13.162 2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.124 12.467 1.417 1.00 0.00 H new ATOM 66 N GLN A 8 -18.008 9.849 2.444 1.00 0.00 N ATOM 67 CA GLN A 8 -18.135 8.760 3.411 1.00 0.00 C ATOM 68 C GLN A 8 -17.218 7.583 3.129 1.00 0.00 C ATOM 69 O GLN A 8 -17.655 6.557 2.607 1.00 0.00 O ATOM 70 CB GLN A 8 -19.613 8.345 3.529 1.00 0.00 C ATOM 71 CG GLN A 8 -19.930 7.428 4.726 1.00 0.00 C ATOM 72 CD GLN A 8 -21.435 7.220 4.915 1.00 0.00 C ATOM 73 OE1 GLN A 8 -22.256 7.888 4.284 1.00 0.00 O ATOM 74 NE2 GLN A 8 -21.851 6.303 5.773 1.00 0.00 N ATOM 0 H GLN A 8 -17.733 9.566 1.503 1.00 0.00 H new ATOM 0 HA GLN A 8 -17.798 9.136 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.224 9.244 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.908 7.837 2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -19.447 6.462 4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -19.508 7.860 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -21.173 5.749 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -22.850 6.150 5.911 1.00 0.00 H new ATOM 83 N LEU A 9 -15.964 7.689 3.575 1.00 0.00 N ATOM 84 CA LEU A 9 -14.979 6.622 3.406 1.00 0.00 C ATOM 85 C LEU A 9 -15.455 5.302 4.021 1.00 0.00 C ATOM 86 O LEU A 9 -15.016 4.235 3.596 1.00 0.00 O ATOM 87 CB LEU A 9 -13.610 7.046 3.964 1.00 0.00 C ATOM 88 CG LEU A 9 -12.569 7.138 2.838 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.881 8.298 1.896 1.00 0.00 C ATOM 90 CD2 LEU A 9 -11.168 7.332 3.420 1.00 0.00 C ATOM 0 H LEU A 9 -15.606 8.512 4.060 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.864 6.447 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.698 8.011 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.279 6.328 4.714 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.607 6.204 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.128 8.340 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.865 8.150 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.873 9.233 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.443 7.395 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.141 8.252 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.921 6.487 4.063 1.00 0.00 H new ATOM 102 N SER A 10 -16.371 5.353 4.992 1.00 0.00 N ATOM 103 CA SER A 10 -16.922 4.172 5.633 1.00 0.00 C ATOM 104 C SER A 10 -17.668 3.310 4.617 1.00 0.00 C ATOM 105 O SER A 10 -17.513 2.091 4.622 1.00 0.00 O ATOM 106 CB SER A 10 -17.846 4.584 6.779 1.00 0.00 C ATOM 107 OG SER A 10 -17.161 5.489 7.618 1.00 0.00 O ATOM 0 H SER A 10 -16.750 6.228 5.354 1.00 0.00 H new ATOM 0 HA SER A 10 -16.104 3.578 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.751 5.047 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.157 3.707 7.346 1.00 0.00 H new ATOM 0 HG SER A 10 -17.747 5.760 8.355 1.00 0.00 H new ATOM 113 N SER A 11 -18.462 3.935 3.745 1.00 0.00 N ATOM 114 CA SER A 11 -19.213 3.233 2.724 1.00 0.00 C ATOM 115 C SER A 11 -18.283 2.804 1.592 1.00 0.00 C ATOM 116 O SER A 11 -18.580 1.815 0.929 1.00 0.00 O ATOM 117 CB SER A 11 -20.339 4.128 2.207 1.00 0.00 C ATOM 118 OG SER A 11 -21.154 4.560 3.279 1.00 0.00 O ATOM 0 H SER A 11 -18.597 4.946 3.734 1.00 0.00 H new ATOM 0 HA SER A 11 -19.658 2.334 3.151 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.919 4.991 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.941 3.583 1.480 1.00 0.00 H new ATOM 0 HG SER A 11 -21.870 5.134 2.935 1.00 0.00 H new ATOM 124 N GLU A 12 -17.162 3.500 1.357 1.00 0.00 N ATOM 125 CA GLU A 12 -16.224 3.115 0.301 1.00 0.00 C ATOM 126 C GLU A 12 -15.622 1.748 0.663 1.00 0.00 C ATOM 127 O GLU A 12 -15.394 0.914 -0.212 1.00 0.00 O ATOM 128 CB GLU A 12 -15.088 4.131 0.129 1.00 0.00 C ATOM 129 CG GLU A 12 -15.478 5.594 -0.138 1.00 0.00 C ATOM 130 CD GLU A 12 -16.113 5.868 -1.501 1.00 0.00 C ATOM 131 OE1 GLU A 12 -15.657 5.312 -2.530 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.048 6.698 -1.554 1.00 0.00 O ATOM 0 H GLU A 12 -16.886 4.329 1.883 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.772 3.075 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.475 4.105 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.458 3.795 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.173 5.914 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.586 6.213 -0.041 1.00 0.00 H new ATOM 139 N ILE A 13 -15.391 1.498 1.959 1.00 0.00 N ATOM 140 CA ILE A 13 -14.853 0.232 2.453 1.00 0.00 C ATOM 141 C ILE A 13 -15.855 -0.861 2.086 1.00 0.00 C ATOM 142 O ILE A 13 -15.461 -1.940 1.651 1.00 0.00 O ATOM 143 CB ILE A 13 -14.601 0.311 3.975 1.00 0.00 C ATOM 144 CG1 ILE A 13 -13.415 1.244 4.263 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.340 -1.062 4.609 1.00 0.00 C ATOM 146 CD1 ILE A 13 -13.438 1.844 5.672 1.00 0.00 C ATOM 0 H ILE A 13 -15.575 2.178 2.697 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.889 0.006 1.997 1.00 0.00 H new ATOM 0 HB ILE A 13 -15.512 0.707 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.486 0.690 4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.413 2.053 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -14.170 -0.942 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.204 -1.707 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.460 -1.513 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.572 2.492 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.350 2.426 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.408 1.042 6.410 1.00 0.00 H new ATOM 158 N GLU A 14 -17.152 -0.588 2.234 1.00 0.00 N ATOM 159 CA GLU A 14 -18.179 -1.560 1.894 1.00 0.00 C ATOM 160 C GLU A 14 -18.129 -1.846 0.386 1.00 0.00 C ATOM 161 O GLU A 14 -18.356 -2.985 -0.017 1.00 0.00 O ATOM 162 CB GLU A 14 -19.547 -1.124 2.437 1.00 0.00 C ATOM 163 CG GLU A 14 -19.498 -1.095 3.974 1.00 0.00 C ATOM 164 CD GLU A 14 -20.886 -1.006 4.599 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.615 -2.027 4.567 1.00 0.00 O ATOM 166 OE2 GLU A 14 -21.225 0.062 5.158 1.00 0.00 O ATOM 0 H GLU A 14 -17.511 0.299 2.587 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.989 -2.514 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.807 -0.138 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.321 -1.813 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.997 -1.993 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.901 -0.243 4.300 1.00 0.00 H new ATOM 173 N ARG A 15 -17.786 -0.869 -0.465 1.00 0.00 N ATOM 174 CA ARG A 15 -17.682 -1.114 -1.910 1.00 0.00 C ATOM 175 C ARG A 15 -16.516 -2.072 -2.159 1.00 0.00 C ATOM 176 O ARG A 15 -16.577 -2.897 -3.067 1.00 0.00 O ATOM 177 CB ARG A 15 -17.474 0.183 -2.713 1.00 0.00 C ATOM 178 CG ARG A 15 -18.534 1.266 -2.480 1.00 0.00 C ATOM 179 CD ARG A 15 -19.946 0.795 -2.838 1.00 0.00 C ATOM 180 NE ARG A 15 -20.955 1.843 -2.626 1.00 0.00 N ATOM 181 CZ ARG A 15 -21.177 2.922 -3.385 1.00 0.00 C ATOM 182 NH1 ARG A 15 -20.446 3.145 -4.473 1.00 0.00 N ATOM 183 NH2 ARG A 15 -22.131 3.771 -3.029 1.00 0.00 N ATOM 0 H ARG A 15 -17.578 0.089 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.622 -1.549 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.496 0.594 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.455 -0.064 -3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.511 1.572 -1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.287 2.145 -3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.968 0.479 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.199 -0.077 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.554 1.735 -1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.709 2.491 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.623 3.970 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -22.682 3.596 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.314 4.599 -3.596 1.00 0.00 H new ATOM 197 N LEU A 16 -15.443 -1.974 -1.366 1.00 0.00 N ATOM 198 CA LEU A 16 -14.288 -2.855 -1.498 1.00 0.00 C ATOM 199 C LEU A 16 -14.683 -4.269 -1.059 1.00 0.00 C ATOM 200 O LEU A 16 -14.189 -5.229 -1.654 1.00 0.00 O ATOM 201 CB LEU A 16 -13.081 -2.305 -0.724 1.00 0.00 C ATOM 202 CG LEU A 16 -12.445 -1.082 -1.412 1.00 0.00 C ATOM 203 CD1 LEU A 16 -11.515 -0.354 -0.442 1.00 0.00 C ATOM 204 CD2 LEU A 16 -11.650 -1.500 -2.656 1.00 0.00 C ATOM 0 H LEU A 16 -15.355 -1.284 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.976 -2.902 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -13.395 -2.029 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.332 -3.090 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.252 -0.415 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.072 0.508 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.084 -0.019 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.725 -1.031 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.212 -0.617 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.856 -2.189 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.316 -1.992 -3.365 1.00 0.00 H new ATOM 216 N MET A 17 -15.590 -4.420 -0.079 1.00 0.00 N ATOM 217 CA MET A 17 -16.048 -5.744 0.360 1.00 0.00 C ATOM 218 C MET A 17 -16.704 -6.441 -0.832 1.00 0.00 C ATOM 219 O MET A 17 -16.540 -7.649 -1.006 1.00 0.00 O ATOM 220 CB MET A 17 -17.091 -5.686 1.485 1.00 0.00 C ATOM 221 CG MET A 17 -16.616 -5.055 2.789 1.00 0.00 C ATOM 222 SD MET A 17 -17.982 -4.944 3.977 1.00 0.00 S ATOM 223 CE MET A 17 -17.142 -4.207 5.393 1.00 0.00 C ATOM 0 H MET A 17 -16.018 -3.641 0.422 1.00 0.00 H new ATOM 0 HA MET A 17 -15.175 -6.274 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.956 -5.129 1.126 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.430 -6.700 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 17 -15.805 -5.648 3.213 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.215 -4.061 2.593 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.915 -4.982 6.125 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.216 -3.737 5.062 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.787 -3.456 5.848 1.00 0.00 H new ATOM 233 N SER A 18 -17.394 -5.676 -1.687 1.00 0.00 N ATOM 234 CA SER A 18 -18.074 -6.145 -2.890 1.00 0.00 C ATOM 235 C SER A 18 -17.102 -6.664 -3.964 1.00 0.00 C ATOM 236 O SER A 18 -17.540 -6.965 -5.075 1.00 0.00 O ATOM 237 CB SER A 18 -18.974 -5.038 -3.457 1.00 0.00 C ATOM 238 OG SER A 18 -19.708 -4.384 -2.437 1.00 0.00 O ATOM 0 H SER A 18 -17.495 -4.670 -1.549 1.00 0.00 H new ATOM 0 HA SER A 18 -18.690 -6.995 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.363 -4.309 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.664 -5.467 -4.184 1.00 0.00 H new ATOM 0 HG SER A 18 -20.268 -3.685 -2.834 1.00 0.00 H new ATOM 244 N GLN A 19 -15.798 -6.737 -3.684 1.00 0.00 N ATOM 245 CA GLN A 19 -14.744 -7.237 -4.565 1.00 0.00 C ATOM 246 C GLN A 19 -14.012 -8.416 -3.896 1.00 0.00 C ATOM 247 O GLN A 19 -13.062 -8.943 -4.476 1.00 0.00 O ATOM 248 CB GLN A 19 -13.769 -6.116 -4.948 1.00 0.00 C ATOM 249 CG GLN A 19 -14.455 -4.924 -5.622 1.00 0.00 C ATOM 250 CD GLN A 19 -13.468 -3.923 -6.220 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.660 -3.455 -7.340 1.00 0.00 O ATOM 252 NE2 GLN A 19 -12.420 -3.544 -5.507 1.00 0.00 N ATOM 0 H GLN A 19 -15.430 -6.430 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.200 -7.597 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.252 -5.771 -4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.010 -6.517 -5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.114 -5.290 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.083 -4.414 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.266 -3.936 -4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.766 -2.860 -5.886 1.00 0.00 H new ATOM 261 N GLY A 20 -14.428 -8.811 -2.686 1.00 0.00 N ATOM 262 CA GLY A 20 -13.888 -9.914 -1.903 1.00 0.00 C ATOM 263 C GLY A 20 -12.848 -9.543 -0.850 1.00 0.00 C ATOM 264 O GLY A 20 -12.468 -10.430 -0.089 1.00 0.00 O ATOM 0 H GLY A 20 -15.194 -8.338 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.716 -10.419 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.441 -10.635 -2.588 1.00 0.00 H new ATOM 268 N TYR A 21 -12.388 -8.288 -0.781 1.00 0.00 N ATOM 269 CA TYR A 21 -11.382 -7.880 0.199 1.00 0.00 C ATOM 270 C TYR A 21 -11.977 -7.852 1.608 1.00 0.00 C ATOM 271 O TYR A 21 -12.999 -7.200 1.843 1.00 0.00 O ATOM 272 CB TYR A 21 -10.778 -6.511 -0.158 1.00 0.00 C ATOM 273 CG TYR A 21 -10.124 -6.461 -1.527 1.00 0.00 C ATOM 274 CD1 TYR A 21 -8.843 -7.008 -1.728 1.00 0.00 C ATOM 275 CD2 TYR A 21 -10.829 -5.920 -2.617 1.00 0.00 C ATOM 276 CE1 TYR A 21 -8.295 -7.068 -3.023 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.295 -5.994 -3.916 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.031 -6.586 -4.127 1.00 0.00 C ATOM 279 OH TYR A 21 -8.540 -6.708 -5.390 1.00 0.00 O ATOM 0 H TYR A 21 -12.700 -7.537 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.580 -8.618 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.564 -5.757 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.038 -6.244 0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.279 -7.383 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.786 -5.445 -2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.309 -7.484 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.852 -5.598 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.178 -6.324 -6.027 1.00 0.00 H new ATOM 289 N SER A 22 -11.327 -8.533 2.550 1.00 0.00 N ATOM 290 CA SER A 22 -11.758 -8.584 3.939 1.00 0.00 C ATOM 291 C SER A 22 -11.569 -7.203 4.581 1.00 0.00 C ATOM 292 O SER A 22 -10.592 -6.506 4.300 1.00 0.00 O ATOM 293 CB SER A 22 -10.920 -9.649 4.647 1.00 0.00 C ATOM 294 OG SER A 22 -11.160 -10.917 4.066 1.00 0.00 O ATOM 0 H SER A 22 -10.479 -9.069 2.365 1.00 0.00 H new ATOM 0 HA SER A 22 -12.814 -8.844 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.861 -9.400 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.168 -9.673 5.708 1.00 0.00 H new ATOM 0 HG SER A 22 -10.619 -11.594 4.523 1.00 0.00 H new ATOM 300 N TYR A 23 -12.457 -6.820 5.503 1.00 0.00 N ATOM 301 CA TYR A 23 -12.413 -5.522 6.184 1.00 0.00 C ATOM 302 C TYR A 23 -11.078 -5.255 6.877 1.00 0.00 C ATOM 303 O TYR A 23 -10.560 -4.142 6.815 1.00 0.00 O ATOM 304 CB TYR A 23 -13.572 -5.449 7.176 1.00 0.00 C ATOM 305 CG TYR A 23 -13.645 -4.177 7.992 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.291 -3.046 7.463 1.00 0.00 C ATOM 307 CD2 TYR A 23 -13.100 -4.130 9.287 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.387 -1.863 8.214 1.00 0.00 C ATOM 309 CE2 TYR A 23 -13.198 -2.955 10.049 1.00 0.00 C ATOM 310 CZ TYR A 23 -13.838 -1.815 9.514 1.00 0.00 C ATOM 311 OH TYR A 23 -13.921 -0.685 10.266 1.00 0.00 O ATOM 0 H TYR A 23 -13.235 -7.408 5.801 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.513 -4.741 5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -14.507 -5.563 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -13.498 -6.295 7.859 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.717 -3.087 6.471 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.605 -4.999 9.696 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.878 -0.995 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.783 -2.923 11.046 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.075 -0.194 10.213 1.00 0.00 H new ATOM 321 N GLN A 24 -10.511 -6.280 7.518 1.00 0.00 N ATOM 322 CA GLN A 24 -9.242 -6.205 8.237 1.00 0.00 C ATOM 323 C GLN A 24 -8.143 -5.658 7.316 1.00 0.00 C ATOM 324 O GLN A 24 -7.385 -4.765 7.697 1.00 0.00 O ATOM 325 CB GLN A 24 -8.865 -7.604 8.761 1.00 0.00 C ATOM 326 CG GLN A 24 -9.831 -8.203 9.800 1.00 0.00 C ATOM 327 CD GLN A 24 -11.173 -8.671 9.228 1.00 0.00 C ATOM 328 OE1 GLN A 24 -11.240 -9.569 8.391 1.00 0.00 O ATOM 329 NE2 GLN A 24 -12.272 -8.054 9.628 1.00 0.00 N ATOM 0 H GLN A 24 -10.934 -7.207 7.551 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.345 -5.526 9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.802 -8.286 7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.870 -7.552 9.203 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.343 -9.048 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.020 -7.458 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.215 -7.309 10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.177 -8.323 9.242 1.00 0.00 H new ATOM 338 N ASP A 25 -8.077 -6.206 6.104 1.00 0.00 N ATOM 339 CA ASP A 25 -7.134 -5.859 5.049 1.00 0.00 C ATOM 340 C ASP A 25 -7.450 -4.482 4.491 1.00 0.00 C ATOM 341 O ASP A 25 -6.546 -3.658 4.359 1.00 0.00 O ATOM 342 CB ASP A 25 -7.185 -6.905 3.930 1.00 0.00 C ATOM 343 CG ASP A 25 -6.596 -8.237 4.381 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.585 -8.245 5.118 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.212 -9.301 4.132 1.00 0.00 O ATOM 0 H ASP A 25 -8.718 -6.946 5.818 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.129 -5.843 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.218 -7.051 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.636 -6.538 3.063 1.00 0.00 H new ATOM 350 N ILE A 26 -8.720 -4.199 4.178 1.00 0.00 N ATOM 351 CA ILE A 26 -9.108 -2.895 3.644 1.00 0.00 C ATOM 352 C ILE A 26 -8.608 -1.802 4.594 1.00 0.00 C ATOM 353 O ILE A 26 -8.016 -0.819 4.147 1.00 0.00 O ATOM 354 CB ILE A 26 -10.630 -2.804 3.391 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.120 -3.799 2.319 1.00 0.00 C ATOM 356 CG2 ILE A 26 -10.964 -1.370 2.939 1.00 0.00 C ATOM 357 CD1 ILE A 26 -12.635 -4.039 2.398 1.00 0.00 C ATOM 0 H ILE A 26 -9.493 -4.856 4.286 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.642 -2.753 2.669 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.138 -3.060 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.865 -3.419 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.597 -4.748 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.035 -1.287 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.673 -0.666 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.420 -1.141 2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.932 -4.746 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.888 -4.445 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.161 -3.096 2.249 1.00 0.00 H new ATOM 369 N GLN A 27 -8.830 -1.970 5.898 1.00 0.00 N ATOM 370 CA GLN A 27 -8.396 -1.012 6.899 1.00 0.00 C ATOM 371 C GLN A 27 -6.883 -0.795 6.808 1.00 0.00 C ATOM 372 O GLN A 27 -6.476 0.360 6.709 1.00 0.00 O ATOM 373 CB GLN A 27 -8.876 -1.457 8.287 1.00 0.00 C ATOM 374 CG GLN A 27 -10.394 -1.316 8.484 1.00 0.00 C ATOM 375 CD GLN A 27 -10.839 0.132 8.663 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.070 0.592 9.776 1.00 0.00 O ATOM 377 NE2 GLN A 27 -10.997 0.889 7.589 1.00 0.00 N ATOM 0 H GLN A 27 -9.318 -2.778 6.284 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.849 -0.039 6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.592 -2.497 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.363 -0.868 9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.908 -1.745 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.697 -1.894 9.357 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.805 0.507 6.663 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.311 1.855 7.687 1.00 0.00 H new ATOM 386 N LYS A 28 -6.052 -1.848 6.778 1.00 0.00 N ATOM 387 CA LYS A 28 -4.589 -1.704 6.675 1.00 0.00 C ATOM 388 C LYS A 28 -4.211 -0.792 5.500 1.00 0.00 C ATOM 389 O LYS A 28 -3.292 0.020 5.603 1.00 0.00 O ATOM 390 CB LYS A 28 -3.918 -3.077 6.458 1.00 0.00 C ATOM 391 CG LYS A 28 -3.975 -4.070 7.631 1.00 0.00 C ATOM 392 CD LYS A 28 -3.404 -5.436 7.192 1.00 0.00 C ATOM 393 CE LYS A 28 -4.335 -6.624 7.465 1.00 0.00 C ATOM 394 NZ LYS A 28 -4.270 -7.135 8.846 1.00 0.00 N ATOM 0 H LYS A 28 -6.370 -2.816 6.824 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.241 -1.265 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.381 -3.548 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.871 -2.907 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.405 -3.682 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.004 -4.188 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.184 -5.399 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.458 -5.604 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.361 -6.326 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.086 -7.433 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.050 -7.804 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.362 -7.619 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.353 -6.342 9.514 1.00 0.00 H new ATOM 408 N ALA A 29 -4.899 -0.934 4.366 1.00 0.00 N ATOM 409 CA ALA A 29 -4.639 -0.140 3.168 1.00 0.00 C ATOM 410 C ALA A 29 -4.978 1.320 3.426 1.00 0.00 C ATOM 411 O ALA A 29 -4.168 2.179 3.097 1.00 0.00 O ATOM 412 CB ALA A 29 -5.402 -0.669 1.949 1.00 0.00 C ATOM 0 H ALA A 29 -5.657 -1.608 4.254 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.577 -0.224 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.178 -0.048 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.098 -1.696 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.473 -0.640 2.149 1.00 0.00 H new ATOM 418 N LEU A 30 -6.148 1.626 3.999 1.00 0.00 N ATOM 419 CA LEU A 30 -6.532 3.007 4.283 1.00 0.00 C ATOM 420 C LEU A 30 -5.518 3.671 5.210 1.00 0.00 C ATOM 421 O LEU A 30 -5.122 4.804 4.948 1.00 0.00 O ATOM 422 CB LEU A 30 -7.930 3.085 4.917 1.00 0.00 C ATOM 423 CG LEU A 30 -9.108 3.192 3.938 1.00 0.00 C ATOM 424 CD1 LEU A 30 -9.016 4.439 3.043 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.326 1.942 3.089 1.00 0.00 C ATOM 0 H LEU A 30 -6.844 0.932 4.274 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.552 3.537 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.077 2.200 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.958 3.947 5.583 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.984 3.291 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.872 4.467 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.014 5.334 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.096 4.401 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.176 2.097 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.433 1.744 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.525 1.091 3.740 1.00 0.00 H new ATOM 437 N VAL A 31 -5.097 2.979 6.268 1.00 0.00 N ATOM 438 CA VAL A 31 -4.130 3.462 7.248 1.00 0.00 C ATOM 439 C VAL A 31 -2.842 3.892 6.537 1.00 0.00 C ATOM 440 O VAL A 31 -2.407 5.045 6.647 1.00 0.00 O ATOM 441 CB VAL A 31 -3.886 2.338 8.282 1.00 0.00 C ATOM 442 CG1 VAL A 31 -2.745 2.645 9.258 1.00 0.00 C ATOM 443 CG2 VAL A 31 -5.153 2.062 9.102 1.00 0.00 C ATOM 0 H VAL A 31 -5.431 2.037 6.471 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.508 4.338 7.775 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.606 1.464 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.629 1.815 9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.818 2.784 8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.975 3.555 9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.955 1.268 9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.447 2.967 9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.958 1.755 8.435 1.00 0.00 H new ATOM 453 N ILE A 32 -2.255 2.973 5.771 1.00 0.00 N ATOM 454 CA ILE A 32 -1.017 3.206 5.046 1.00 0.00 C ATOM 455 C ILE A 32 -1.218 4.228 3.915 1.00 0.00 C ATOM 456 O ILE A 32 -0.278 4.935 3.553 1.00 0.00 O ATOM 457 CB ILE A 32 -0.431 1.850 4.601 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.188 0.910 5.814 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.897 2.108 3.883 1.00 0.00 C ATOM 460 CD1 ILE A 32 0.022 -0.564 5.445 1.00 0.00 C ATOM 0 H ILE A 32 -2.635 2.036 5.638 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.273 3.668 5.694 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.143 1.361 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.686 1.262 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.039 0.984 6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.327 1.160 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.723 2.742 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.588 2.607 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.184 -1.147 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.860 -0.938 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.892 -0.656 4.794 1.00 0.00 H new ATOM 472 N ALA A 33 -2.422 4.356 3.354 1.00 0.00 N ATOM 473 CA ALA A 33 -2.715 5.321 2.301 1.00 0.00 C ATOM 474 C ALA A 33 -3.004 6.707 2.897 1.00 0.00 C ATOM 475 O ALA A 33 -3.256 7.651 2.149 1.00 0.00 O ATOM 476 CB ALA A 33 -3.889 4.843 1.449 1.00 0.00 C ATOM 0 H ALA A 33 -3.225 3.787 3.622 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.838 5.405 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.094 5.575 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.641 3.885 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.772 4.727 2.078 1.00 0.00 H new ATOM 482 N HIS A 34 -2.945 6.849 4.226 1.00 0.00 N ATOM 483 CA HIS A 34 -3.215 8.079 4.965 1.00 0.00 C ATOM 484 C HIS A 34 -4.658 8.517 4.667 1.00 0.00 C ATOM 485 O HIS A 34 -4.942 9.651 4.278 1.00 0.00 O ATOM 486 CB HIS A 34 -2.158 9.163 4.688 1.00 0.00 C ATOM 487 CG HIS A 34 -0.717 8.815 4.999 1.00 0.00 C ATOM 488 ND1 HIS A 34 -0.178 7.607 5.368 1.00 0.00 N flip ATOM 489 CD2 HIS A 34 0.312 9.725 4.974 1.00 0.00 C flip ATOM 490 CE1 HIS A 34 1.196 7.787 5.543 1.00 0.00 C flip ATOM 491 NE2 HIS A 34 1.449 9.079 5.284 1.00 0.00 N flip ATOM 0 H HIS A 34 -2.696 6.073 4.839 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.133 7.900 6.037 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.221 9.436 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.424 10.050 5.263 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.223 10.777 4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 34 1.914 7.034 5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.373 9.510 5.318 1.00 0.00 H new ATOM 499 N ASN A 35 -5.587 7.572 4.840 1.00 0.00 N ATOM 500 CA ASN A 35 -7.028 7.691 4.630 1.00 0.00 C ATOM 501 C ASN A 35 -7.394 8.132 3.201 1.00 0.00 C ATOM 502 O ASN A 35 -8.437 8.746 2.985 1.00 0.00 O ATOM 503 CB ASN A 35 -7.704 8.486 5.769 1.00 0.00 C ATOM 504 CG ASN A 35 -7.949 7.621 7.007 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.049 6.938 7.504 1.00 0.00 O ATOM 506 ND2 ASN A 35 -9.167 7.582 7.523 1.00 0.00 N ATOM 0 H ASN A 35 -5.330 6.636 5.154 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.460 6.692 4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.077 9.336 6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.653 8.890 5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.360 6.988 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.912 8.146 7.114 1.00 0.00 H new ATOM 513 N ASN A 36 -6.544 7.825 2.214 1.00 0.00 N ATOM 514 CA ASN A 36 -6.753 8.139 0.800 1.00 0.00 C ATOM 515 C ASN A 36 -7.359 6.889 0.153 1.00 0.00 C ATOM 516 O ASN A 36 -6.652 5.897 -0.038 1.00 0.00 O ATOM 517 CB ASN A 36 -5.432 8.554 0.137 1.00 0.00 C ATOM 518 CG ASN A 36 -5.602 8.940 -1.327 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.253 8.245 -2.089 1.00 0.00 O ATOM 520 ND2 ASN A 36 -4.984 10.021 -1.770 1.00 0.00 N ATOM 0 H ASN A 36 -5.665 7.336 2.385 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.429 8.985 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.006 9.396 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.720 7.732 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.050 10.279 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.441 10.598 -1.127 1.00 0.00 H new ATOM 527 N ILE A 37 -8.665 6.882 -0.126 1.00 0.00 N ATOM 528 CA ILE A 37 -9.339 5.733 -0.728 1.00 0.00 C ATOM 529 C ILE A 37 -8.852 5.443 -2.157 1.00 0.00 C ATOM 530 O ILE A 37 -8.730 4.274 -2.526 1.00 0.00 O ATOM 531 CB ILE A 37 -10.877 5.900 -0.632 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.629 4.593 -0.953 1.00 0.00 C ATOM 533 CG2 ILE A 37 -11.463 7.026 -1.503 1.00 0.00 C ATOM 534 CD1 ILE A 37 -11.587 3.586 0.202 1.00 0.00 C ATOM 0 H ILE A 37 -9.283 7.672 0.059 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.069 4.846 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.031 6.179 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.667 4.825 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.194 4.138 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.544 7.065 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.026 7.980 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.235 6.832 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.132 2.685 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.551 3.329 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.048 4.027 1.086 1.00 0.00 H new ATOM 546 N GLU A 38 -8.569 6.470 -2.963 1.00 0.00 N ATOM 547 CA GLU A 38 -8.114 6.318 -4.349 1.00 0.00 C ATOM 548 C GLU A 38 -6.787 5.542 -4.404 1.00 0.00 C ATOM 549 O GLU A 38 -6.538 4.750 -5.315 1.00 0.00 O ATOM 550 CB GLU A 38 -7.922 7.711 -4.987 1.00 0.00 C ATOM 551 CG GLU A 38 -9.174 8.607 -5.016 1.00 0.00 C ATOM 552 CD GLU A 38 -9.856 8.572 -6.379 1.00 0.00 C ATOM 553 OE1 GLU A 38 -10.628 7.615 -6.644 1.00 0.00 O ATOM 554 OE2 GLU A 38 -9.652 9.490 -7.205 1.00 0.00 O ATOM 0 H GLU A 38 -8.650 7.443 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.869 5.759 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.135 8.234 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.569 7.577 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.875 8.279 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.894 9.632 -4.774 1.00 0.00 H new ATOM 561 N MET A 39 -5.936 5.770 -3.409 1.00 0.00 N ATOM 562 CA MET A 39 -4.629 5.178 -3.205 1.00 0.00 C ATOM 563 C MET A 39 -4.801 3.792 -2.588 1.00 0.00 C ATOM 564 O MET A 39 -4.223 2.828 -3.082 1.00 0.00 O ATOM 565 CB MET A 39 -3.865 6.140 -2.295 1.00 0.00 C ATOM 566 CG MET A 39 -2.369 5.917 -2.117 1.00 0.00 C ATOM 567 SD MET A 39 -1.666 7.346 -1.246 1.00 0.00 S ATOM 568 CE MET A 39 0.086 7.143 -1.626 1.00 0.00 C ATOM 0 H MET A 39 -6.167 6.429 -2.666 1.00 0.00 H new ATOM 0 HA MET A 39 -4.073 5.038 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.009 7.150 -2.680 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.328 6.106 -1.309 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.188 5.003 -1.551 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.888 5.792 -3.087 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.623 8.054 -1.364 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.488 6.307 -1.053 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.207 6.944 -2.691 1.00 0.00 H new ATOM 578 N ALA A 40 -5.630 3.654 -1.546 1.00 0.00 N ATOM 579 CA ALA A 40 -5.875 2.373 -0.888 1.00 0.00 C ATOM 580 C ALA A 40 -6.387 1.333 -1.890 1.00 0.00 C ATOM 581 O ALA A 40 -6.013 0.163 -1.820 1.00 0.00 O ATOM 582 CB ALA A 40 -6.862 2.558 0.260 1.00 0.00 C ATOM 0 H ALA A 40 -6.149 4.431 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.934 2.003 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.039 1.598 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.450 3.260 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.803 2.948 -0.128 1.00 0.00 H new ATOM 588 N LYS A 41 -7.229 1.757 -2.841 1.00 0.00 N ATOM 589 CA LYS A 41 -7.770 0.893 -3.884 1.00 0.00 C ATOM 590 C LYS A 41 -6.622 0.252 -4.655 1.00 0.00 C ATOM 591 O LYS A 41 -6.647 -0.958 -4.863 1.00 0.00 O ATOM 592 CB LYS A 41 -8.642 1.734 -4.825 1.00 0.00 C ATOM 593 CG LYS A 41 -10.090 1.778 -4.337 1.00 0.00 C ATOM 594 CD LYS A 41 -10.847 2.963 -4.942 1.00 0.00 C ATOM 595 CE LYS A 41 -12.349 2.674 -4.944 1.00 0.00 C ATOM 596 NZ LYS A 41 -12.744 1.817 -6.091 1.00 0.00 N ATOM 0 H LYS A 41 -7.554 2.722 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.379 0.104 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.244 2.747 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.606 1.316 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.594 0.849 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.107 1.850 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.642 3.867 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.501 3.145 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.626 2.183 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.900 3.614 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.769 1.643 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.503 2.296 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.237 0.910 -6.038 1.00 0.00 H new ATOM 610 N ASN A 42 -5.632 1.055 -5.059 1.00 0.00 N ATOM 611 CA ASN A 42 -4.465 0.581 -5.794 1.00 0.00 C ATOM 612 C ASN A 42 -3.710 -0.452 -4.957 1.00 0.00 C ATOM 613 O ASN A 42 -3.335 -1.493 -5.489 1.00 0.00 O ATOM 614 CB ASN A 42 -3.516 1.739 -6.159 1.00 0.00 C ATOM 615 CG ASN A 42 -3.913 2.532 -7.392 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.431 1.984 -8.361 1.00 0.00 O ATOM 617 ND2 ASN A 42 -3.633 3.823 -7.420 1.00 0.00 N ATOM 0 H ASN A 42 -5.622 2.059 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.817 0.125 -6.720 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.457 2.421 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.516 1.334 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.847 4.373 -8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.203 4.269 -6.610 1.00 0.00 H new ATOM 624 N ILE A 43 -3.491 -0.187 -3.659 1.00 0.00 N ATOM 625 CA ILE A 43 -2.774 -1.096 -2.754 1.00 0.00 C ATOM 626 C ILE A 43 -3.415 -2.484 -2.810 1.00 0.00 C ATOM 627 O ILE A 43 -2.751 -3.475 -3.123 1.00 0.00 O ATOM 628 CB ILE A 43 -2.710 -0.544 -1.298 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.010 0.828 -1.257 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.963 -1.520 -0.389 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.928 1.495 0.117 1.00 0.00 C ATOM 0 H ILE A 43 -3.809 0.670 -3.206 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.740 -1.174 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.734 -0.428 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.998 0.709 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.533 1.502 -1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.927 -1.119 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.481 -2.479 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.948 -1.658 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.416 2.453 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.934 1.656 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.375 0.852 0.801 1.00 0.00 H new ATOM 643 N LEU A 44 -4.712 -2.535 -2.508 1.00 0.00 N ATOM 644 CA LEU A 44 -5.496 -3.759 -2.488 1.00 0.00 C ATOM 645 C LEU A 44 -5.491 -4.452 -3.843 1.00 0.00 C ATOM 646 O LEU A 44 -5.119 -5.617 -3.928 1.00 0.00 O ATOM 647 CB LEU A 44 -6.939 -3.449 -2.055 1.00 0.00 C ATOM 648 CG LEU A 44 -7.063 -3.019 -0.583 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.450 -2.414 -0.362 1.00 0.00 C ATOM 650 CD2 LEU A 44 -6.847 -4.184 0.391 1.00 0.00 C ATOM 0 H LEU A 44 -5.254 -1.706 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.039 -4.439 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.338 -2.658 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.556 -4.332 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.282 -2.286 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.551 -2.105 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.577 -1.548 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.212 -3.157 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.946 -3.825 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.592 -4.957 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.849 -4.599 0.246 1.00 0.00 H new ATOM 662 N ARG A 45 -5.883 -3.753 -4.906 1.00 0.00 N ATOM 663 CA ARG A 45 -5.954 -4.320 -6.248 1.00 0.00 C ATOM 664 C ARG A 45 -4.630 -4.883 -6.755 1.00 0.00 C ATOM 665 O ARG A 45 -4.654 -5.903 -7.443 1.00 0.00 O ATOM 666 CB ARG A 45 -6.541 -3.267 -7.185 1.00 0.00 C ATOM 667 CG ARG A 45 -6.897 -3.847 -8.557 1.00 0.00 C ATOM 668 CD ARG A 45 -7.622 -2.766 -9.351 1.00 0.00 C ATOM 669 NE ARG A 45 -8.015 -3.220 -10.690 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.686 -2.467 -11.566 1.00 0.00 C ATOM 671 NH1 ARG A 45 -8.959 -1.196 -11.295 1.00 0.00 N ATOM 672 NH2 ARG A 45 -9.114 -2.967 -12.712 1.00 0.00 N ATOM 0 H ARG A 45 -6.161 -2.773 -4.859 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.608 -5.192 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.434 -2.837 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.825 -2.455 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.996 -4.166 -9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.530 -4.728 -8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.510 -2.451 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.977 -1.892 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.760 -4.168 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.656 -0.786 -10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.472 -0.629 -11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.934 -3.944 -12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.625 -2.375 -13.368 1.00 0.00 H new ATOM 686 N GLU A 46 -3.497 -4.258 -6.445 1.00 0.00 N ATOM 687 CA GLU A 46 -2.218 -4.774 -6.906 1.00 0.00 C ATOM 688 C GLU A 46 -1.807 -5.968 -6.052 1.00 0.00 C ATOM 689 O GLU A 46 -1.848 -7.108 -6.503 1.00 0.00 O ATOM 690 CB GLU A 46 -1.113 -3.691 -6.899 1.00 0.00 C ATOM 691 CG GLU A 46 -1.023 -2.878 -8.198 1.00 0.00 C ATOM 692 CD GLU A 46 -0.342 -3.644 -9.344 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.657 -4.831 -9.568 1.00 0.00 O ATOM 694 OE2 GLU A 46 0.465 -3.055 -10.098 1.00 0.00 O ATOM 0 H GLU A 46 -3.441 -3.407 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.340 -5.093 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.293 -3.009 -6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.151 -4.170 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.027 -2.589 -8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.471 -1.958 -8.006 1.00 0.00 H new ATOM 701 N PHE A 47 -1.396 -5.725 -4.810 1.00 0.00 N ATOM 702 CA PHE A 47 -0.921 -6.753 -3.893 1.00 0.00 C ATOM 703 C PHE A 47 -1.929 -7.833 -3.532 1.00 0.00 C ATOM 704 O PHE A 47 -1.597 -9.016 -3.617 1.00 0.00 O ATOM 705 CB PHE A 47 -0.427 -6.090 -2.607 1.00 0.00 C ATOM 706 CG PHE A 47 0.893 -5.365 -2.771 1.00 0.00 C ATOM 707 CD1 PHE A 47 2.089 -6.067 -2.540 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.936 -4.000 -3.121 1.00 0.00 C ATOM 709 CE1 PHE A 47 3.325 -5.418 -2.670 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.175 -3.351 -3.246 1.00 0.00 C ATOM 711 CZ PHE A 47 3.365 -4.062 -3.024 1.00 0.00 C ATOM 0 H PHE A 47 -1.384 -4.788 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.124 -7.267 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.180 -5.383 -2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.322 -6.850 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.056 -7.110 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.019 -3.455 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.243 -5.961 -2.498 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.212 -2.305 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.317 -3.562 -3.126 1.00 0.00 H new ATOM 721 N SER A 48 -3.102 -7.440 -3.043 1.00 0.00 N ATOM 722 CA SER A 48 -4.130 -8.378 -2.632 1.00 0.00 C ATOM 723 C SER A 48 -4.953 -8.921 -3.811 1.00 0.00 C ATOM 724 O SER A 48 -5.727 -9.860 -3.620 1.00 0.00 O ATOM 725 CB SER A 48 -4.970 -7.721 -1.524 1.00 0.00 C ATOM 726 OG SER A 48 -5.877 -8.622 -0.919 1.00 0.00 O ATOM 0 H SER A 48 -3.362 -6.461 -2.922 1.00 0.00 H new ATOM 0 HA SER A 48 -3.665 -9.275 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.305 -7.315 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.524 -6.881 -1.943 1.00 0.00 H new ATOM 0 HG SER A 48 -6.109 -9.330 -1.556 1.00 0.00 H new ATOM 732 N GLY A 49 -4.832 -8.358 -5.013 1.00 0.00 N ATOM 733 CA GLY A 49 -5.566 -8.819 -6.182 1.00 0.00 C ATOM 734 C GLY A 49 -4.720 -9.799 -6.995 1.00 0.00 C ATOM 735 O GLY A 49 -3.557 -10.050 -6.664 1.00 0.00 O ATOM 0 H GLY A 49 -4.218 -7.565 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.492 -9.301 -5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.844 -7.967 -6.803 1.00 0.00 H new ATOM 739 N PRO A 50 -5.282 -10.364 -8.076 1.00 0.00 N ATOM 740 CA PRO A 50 -4.566 -11.299 -8.924 1.00 0.00 C ATOM 741 C PRO A 50 -3.407 -10.571 -9.612 1.00 0.00 C ATOM 742 O PRO A 50 -3.616 -9.591 -10.335 1.00 0.00 O ATOM 743 CB PRO A 50 -5.604 -11.848 -9.911 1.00 0.00 C ATOM 744 CG PRO A 50 -6.671 -10.754 -9.970 1.00 0.00 C ATOM 745 CD PRO A 50 -6.639 -10.155 -8.564 1.00 0.00 C ATOM 0 HA PRO A 50 -4.117 -12.125 -8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.165 -12.031 -10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.021 -12.794 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.440 -10.008 -10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.653 -11.162 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.888 -9.094 -8.585 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.367 -10.641 -7.915 1.00 0.00 H new ATOM 753 N SER A 51 -2.182 -11.046 -9.379 1.00 0.00 N ATOM 754 CA SER A 51 -0.938 -10.517 -9.938 1.00 0.00 C ATOM 755 C SER A 51 -0.801 -11.087 -11.356 1.00 0.00 C ATOM 756 O SER A 51 0.107 -11.862 -11.670 1.00 0.00 O ATOM 757 CB SER A 51 0.194 -10.936 -8.994 1.00 0.00 C ATOM 758 OG SER A 51 1.427 -10.302 -9.264 1.00 0.00 O ATOM 0 H SER A 51 -2.024 -11.847 -8.767 1.00 0.00 H new ATOM 0 HA SER A 51 -0.914 -9.430 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.101 -10.715 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.329 -12.016 -9.061 1.00 0.00 H new ATOM 0 HG SER A 51 2.102 -10.614 -8.625 1.00 0.00 H new ATOM 764 N SER A 52 -1.773 -10.776 -12.204 1.00 0.00 N ATOM 765 CA SER A 52 -1.885 -11.223 -13.577 1.00 0.00 C ATOM 766 C SER A 52 -2.298 -10.019 -14.422 1.00 0.00 C ATOM 767 O SER A 52 -2.886 -9.061 -13.906 1.00 0.00 O ATOM 768 CB SER A 52 -2.936 -12.345 -13.546 1.00 0.00 C ATOM 769 OG SER A 52 -3.076 -13.057 -14.759 1.00 0.00 O ATOM 0 H SER A 52 -2.547 -10.170 -11.931 1.00 0.00 H new ATOM 0 HA SER A 52 -0.964 -11.609 -14.013 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.673 -13.048 -12.756 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.901 -11.913 -13.281 1.00 0.00 H new ATOM 0 HG SER A 52 -3.760 -13.751 -14.654 1.00 0.00 H new ATOM 775 N GLY A 53 -2.048 -10.080 -15.725 1.00 0.00 N ATOM 776 CA GLY A 53 -2.350 -9.034 -16.687 1.00 0.00 C ATOM 777 C GLY A 53 -1.395 -9.231 -17.834 1.00 0.00 C ATOM 778 O GLY A 53 -0.167 -9.208 -17.593 1.00 0.00 O ATOM 0 H GLY A 53 -1.611 -10.895 -16.155 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.384 -9.103 -17.025 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.225 -8.047 -16.241 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 20.218 12.781 17.870 1.00 0.00 N ATOM 784 CA GLY B 1 20.698 12.487 16.514 1.00 0.00 C ATOM 785 C GLY B 1 19.510 12.164 15.640 1.00 0.00 C ATOM 786 O GLY B 1 18.800 11.206 15.947 1.00 0.00 O ATOM 0 H1 GLY B 1 21.027 13.006 18.484 1.00 0.00 H new ATOM 0 H2 GLY B 1 19.570 13.594 17.840 1.00 0.00 H new ATOM 0 H3 GLY B 1 19.716 11.952 18.248 1.00 0.00 H new ATOM 0 HA2 GLY B 1 21.242 13.342 16.112 1.00 0.00 H new ATOM 0 HA3 GLY B 1 21.393 11.647 16.533 1.00 0.00 H new ATOM 790 N SER B 2 19.290 12.921 14.559 1.00 0.00 N ATOM 791 CA SER B 2 18.158 12.718 13.662 1.00 0.00 C ATOM 792 C SER B 2 18.608 12.387 12.237 1.00 0.00 C ATOM 793 O SER B 2 18.539 13.248 11.360 1.00 0.00 O ATOM 794 CB SER B 2 17.243 13.959 13.726 1.00 0.00 C ATOM 795 OG SER B 2 15.899 13.652 13.386 1.00 0.00 O ATOM 0 H SER B 2 19.897 13.693 14.285 1.00 0.00 H new ATOM 0 HA SER B 2 17.588 11.849 13.990 1.00 0.00 H new ATOM 0 HB2 SER B 2 17.275 14.380 14.731 1.00 0.00 H new ATOM 0 HB3 SER B 2 17.622 14.723 13.048 1.00 0.00 H new ATOM 0 HG SER B 2 15.354 14.465 13.441 1.00 0.00 H new ATOM 801 N SER B 3 19.121 11.180 11.994 1.00 0.00 N ATOM 802 CA SER B 3 19.521 10.788 10.642 1.00 0.00 C ATOM 803 C SER B 3 18.237 10.441 9.877 1.00 0.00 C ATOM 804 O SER B 3 17.219 10.122 10.501 1.00 0.00 O ATOM 805 CB SER B 3 20.511 9.616 10.686 1.00 0.00 C ATOM 806 OG SER B 3 20.243 8.696 11.736 1.00 0.00 O ATOM 0 H SER B 3 19.268 10.465 12.706 1.00 0.00 H new ATOM 0 HA SER B 3 20.043 11.598 10.133 1.00 0.00 H new ATOM 0 HB2 SER B 3 20.482 9.088 9.733 1.00 0.00 H new ATOM 0 HB3 SER B 3 21.522 10.007 10.803 1.00 0.00 H new ATOM 0 HG SER B 3 20.903 7.972 11.713 1.00 0.00 H new ATOM 812 N GLY B 4 18.265 10.444 8.548 1.00 0.00 N ATOM 813 CA GLY B 4 17.093 10.137 7.736 1.00 0.00 C ATOM 814 C GLY B 4 16.990 11.004 6.490 1.00 0.00 C ATOM 815 O GLY B 4 15.879 11.208 5.994 1.00 0.00 O ATOM 0 H GLY B 4 19.101 10.659 8.004 1.00 0.00 H new ATOM 0 HA2 GLY B 4 17.127 9.088 7.441 1.00 0.00 H new ATOM 0 HA3 GLY B 4 16.195 10.269 8.339 1.00 0.00 H new ATOM 819 N SER B 5 18.097 11.563 6.006 1.00 0.00 N ATOM 820 CA SER B 5 18.086 12.382 4.807 1.00 0.00 C ATOM 821 C SER B 5 17.680 11.474 3.641 1.00 0.00 C ATOM 822 O SER B 5 17.876 10.256 3.711 1.00 0.00 O ATOM 823 CB SER B 5 19.465 13.016 4.612 1.00 0.00 C ATOM 824 OG SER B 5 19.339 14.372 4.244 1.00 0.00 O ATOM 0 H SER B 5 19.017 11.459 6.433 1.00 0.00 H new ATOM 0 HA SER B 5 17.373 13.204 4.876 1.00 0.00 H new ATOM 0 HB2 SER B 5 20.042 12.935 5.533 1.00 0.00 H new ATOM 0 HB3 SER B 5 20.015 12.474 3.843 1.00 0.00 H new ATOM 0 HG SER B 5 20.230 14.763 4.125 1.00 0.00 H new ATOM 830 N SER B 6 17.104 12.044 2.589 1.00 0.00 N ATOM 831 CA SER B 6 16.662 11.296 1.425 1.00 0.00 C ATOM 832 C SER B 6 17.180 11.971 0.164 1.00 0.00 C ATOM 833 O SER B 6 17.348 13.192 0.130 1.00 0.00 O ATOM 834 CB SER B 6 15.132 11.207 1.449 1.00 0.00 C ATOM 835 OG SER B 6 14.693 10.431 2.553 1.00 0.00 O ATOM 0 H SER B 6 16.931 13.047 2.522 1.00 0.00 H new ATOM 0 HA SER B 6 17.060 10.281 1.438 1.00 0.00 H new ATOM 0 HB2 SER B 6 14.705 12.208 1.509 1.00 0.00 H new ATOM 0 HB3 SER B 6 14.774 10.763 0.520 1.00 0.00 H new ATOM 0 HG SER B 6 13.714 10.387 2.553 1.00 0.00 H new ATOM 841 N GLY B 7 17.384 11.185 -0.891 1.00 0.00 N ATOM 842 CA GLY B 7 17.888 11.678 -2.157 1.00 0.00 C ATOM 843 C GLY B 7 17.942 10.617 -3.246 1.00 0.00 C ATOM 844 O GLY B 7 17.649 10.956 -4.391 1.00 0.00 O ATOM 0 H GLY B 7 17.201 10.182 -0.884 1.00 0.00 H new ATOM 0 HA2 GLY B 7 17.257 12.501 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY B 7 18.888 12.084 -2.007 1.00 0.00 H new ATOM 848 N GLN B 8 18.244 9.356 -2.927 1.00 0.00 N ATOM 849 CA GLN B 8 18.330 8.300 -3.932 1.00 0.00 C ATOM 850 C GLN B 8 17.557 7.064 -3.480 1.00 0.00 C ATOM 851 O GLN B 8 18.048 6.244 -2.699 1.00 0.00 O ATOM 852 CB GLN B 8 19.807 8.046 -4.278 1.00 0.00 C ATOM 853 CG GLN B 8 19.994 7.139 -5.502 1.00 0.00 C ATOM 854 CD GLN B 8 21.340 7.373 -6.189 1.00 0.00 C ATOM 855 OE1 GLN B 8 22.369 7.551 -5.540 1.00 0.00 O ATOM 856 NE2 GLN B 8 21.381 7.369 -7.509 1.00 0.00 N ATOM 0 H GLN B 8 18.433 9.043 -1.975 1.00 0.00 H new ATOM 0 HA GLN B 8 17.848 8.608 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN B 8 20.300 9.001 -4.463 1.00 0.00 H new ATOM 0 HB3 GLN B 8 20.302 7.593 -3.419 1.00 0.00 H new ATOM 0 HG2 GLN B 8 19.921 6.096 -5.195 1.00 0.00 H new ATOM 0 HG3 GLN B 8 19.188 7.319 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN B 8 20.526 7.221 -8.045 1.00 0.00 H new ATOM 0 HE22 GLN B 8 22.268 7.514 -7.992 1.00 0.00 H new ATOM 865 N LEU B 9 16.316 6.955 -3.960 1.00 0.00 N ATOM 866 CA LEU B 9 15.395 5.857 -3.679 1.00 0.00 C ATOM 867 C LEU B 9 15.986 4.547 -4.189 1.00 0.00 C ATOM 868 O LEU B 9 15.706 3.489 -3.631 1.00 0.00 O ATOM 869 CB LEU B 9 14.042 6.070 -4.379 1.00 0.00 C ATOM 870 CG LEU B 9 13.098 7.088 -3.718 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.639 8.521 -3.787 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.747 7.019 -4.439 1.00 0.00 C ATOM 0 H LEU B 9 15.912 7.658 -4.579 1.00 0.00 H new ATOM 0 HA LEU B 9 15.243 5.823 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU B 9 14.231 6.391 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.528 5.110 -4.435 1.00 0.00 H new ATOM 0 HG LEU B 9 13.003 6.834 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.934 9.199 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.600 8.572 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.768 8.811 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU B 9 11.057 7.733 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.884 7.262 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU B 9 11.338 6.013 -4.349 1.00 0.00 H new ATOM 884 N SER B 10 16.810 4.602 -5.235 1.00 0.00 N ATOM 885 CA SER B 10 17.470 3.452 -5.839 1.00 0.00 C ATOM 886 C SER B 10 18.268 2.679 -4.780 1.00 0.00 C ATOM 887 O SER B 10 18.282 1.446 -4.798 1.00 0.00 O ATOM 888 CB SER B 10 18.349 3.949 -6.990 1.00 0.00 C ATOM 889 OG SER B 10 17.608 4.863 -7.785 1.00 0.00 O ATOM 0 H SER B 10 17.042 5.480 -5.699 1.00 0.00 H new ATOM 0 HA SER B 10 16.737 2.754 -6.243 1.00 0.00 H new ATOM 0 HB2 SER B 10 19.243 4.433 -6.597 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.682 3.108 -7.598 1.00 0.00 H new ATOM 0 HG SER B 10 18.168 5.185 -8.522 1.00 0.00 H new ATOM 895 N SER B 11 18.868 3.395 -3.821 1.00 0.00 N ATOM 896 CA SER B 11 19.647 2.817 -2.738 1.00 0.00 C ATOM 897 C SER B 11 18.753 2.352 -1.580 1.00 0.00 C ATOM 898 O SER B 11 19.236 1.660 -0.689 1.00 0.00 O ATOM 899 CB SER B 11 20.701 3.831 -2.279 1.00 0.00 C ATOM 900 OG SER B 11 21.399 4.385 -3.383 1.00 0.00 O ATOM 0 H SER B 11 18.820 4.413 -3.783 1.00 0.00 H new ATOM 0 HA SER B 11 20.155 1.924 -3.103 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.219 4.629 -1.713 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.408 3.345 -1.606 1.00 0.00 H new ATOM 0 HG SER B 11 22.063 5.029 -3.060 1.00 0.00 H new ATOM 906 N GLU B 12 17.471 2.733 -1.541 1.00 0.00 N ATOM 907 CA GLU B 12 16.516 2.329 -0.504 1.00 0.00 C ATOM 908 C GLU B 12 15.841 1.027 -0.936 1.00 0.00 C ATOM 909 O GLU B 12 15.506 0.182 -0.109 1.00 0.00 O ATOM 910 CB GLU B 12 15.403 3.370 -0.319 1.00 0.00 C ATOM 911 CG GLU B 12 15.868 4.780 0.040 1.00 0.00 C ATOM 912 CD GLU B 12 16.608 4.823 1.369 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.055 4.375 2.404 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.733 5.361 1.394 1.00 0.00 O ATOM 0 H GLU B 12 17.060 3.345 -2.246 1.00 0.00 H new ATOM 0 HA GLU B 12 17.069 2.220 0.429 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.823 3.422 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.729 3.019 0.463 1.00 0.00 H new ATOM 0 HG2 GLU B 12 16.519 5.157 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.005 5.444 0.085 1.00 0.00 H new ATOM 921 N ILE B 13 15.639 0.858 -2.245 1.00 0.00 N ATOM 922 CA ILE B 13 15.029 -0.326 -2.834 1.00 0.00 C ATOM 923 C ILE B 13 15.910 -1.522 -2.446 1.00 0.00 C ATOM 924 O ILE B 13 15.395 -2.574 -2.074 1.00 0.00 O ATOM 925 CB ILE B 13 14.843 -0.071 -4.349 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.686 0.941 -4.547 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.570 -1.351 -5.160 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.749 1.714 -5.866 1.00 0.00 C ATOM 0 H ILE B 13 15.903 1.560 -2.937 1.00 0.00 H new ATOM 0 HA ILE B 13 14.029 -0.554 -2.465 1.00 0.00 H new ATOM 0 HB ILE B 13 15.783 0.330 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.738 0.406 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.695 1.652 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.450 -1.096 -6.213 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.408 -2.039 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.659 -1.825 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.904 2.400 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.680 2.279 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.708 1.014 -6.700 1.00 0.00 H new ATOM 940 N GLU B 14 17.235 -1.352 -2.457 1.00 0.00 N ATOM 941 CA GLU B 14 18.170 -2.405 -2.079 1.00 0.00 C ATOM 942 C GLU B 14 18.009 -2.761 -0.595 1.00 0.00 C ATOM 943 O GLU B 14 18.139 -3.926 -0.234 1.00 0.00 O ATOM 944 CB GLU B 14 19.601 -1.944 -2.337 1.00 0.00 C ATOM 945 CG GLU B 14 19.913 -1.742 -3.821 1.00 0.00 C ATOM 946 CD GLU B 14 21.350 -1.253 -3.934 1.00 0.00 C ATOM 947 OE1 GLU B 14 21.584 -0.046 -3.709 1.00 0.00 O ATOM 948 OE2 GLU B 14 22.261 -2.102 -4.077 1.00 0.00 O ATOM 0 H GLU B 14 17.686 -0.478 -2.729 1.00 0.00 H new ATOM 0 HA GLU B 14 17.956 -3.289 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.775 -1.008 -1.805 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.292 -2.679 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.783 -2.675 -4.369 1.00 0.00 H new ATOM 0 HG3 GLU B 14 19.228 -1.017 -4.260 1.00 0.00 H new ATOM 955 N ARG B 15 17.707 -1.790 0.277 1.00 0.00 N ATOM 956 CA ARG B 15 17.519 -2.054 1.707 1.00 0.00 C ATOM 957 C ARG B 15 16.353 -3.017 1.882 1.00 0.00 C ATOM 958 O ARG B 15 16.403 -3.897 2.742 1.00 0.00 O ATOM 959 CB ARG B 15 17.264 -0.753 2.495 1.00 0.00 C ATOM 960 CG ARG B 15 18.407 0.267 2.402 1.00 0.00 C ATOM 961 CD ARG B 15 19.658 -0.256 3.096 1.00 0.00 C ATOM 962 NE ARG B 15 20.734 0.744 3.128 1.00 0.00 N ATOM 963 CZ ARG B 15 21.675 0.841 4.069 1.00 0.00 C ATOM 964 NH1 ARG B 15 21.738 -0.057 5.052 1.00 0.00 N ATOM 965 NH2 ARG B 15 22.546 1.841 4.031 1.00 0.00 N ATOM 0 H ARG B 15 17.588 -0.812 0.014 1.00 0.00 H new ATOM 0 HA ARG B 15 18.432 -2.498 2.104 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.348 -0.291 2.127 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.097 -1.002 3.543 1.00 0.00 H new ATOM 0 HG2 ARG B 15 18.628 0.478 1.356 1.00 0.00 H new ATOM 0 HG3 ARG B 15 18.099 1.208 2.859 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.409 -0.552 4.115 1.00 0.00 H new ATOM 0 HD3 ARG B 15 20.010 -1.150 2.581 1.00 0.00 H new ATOM 0 HE ARG B 15 20.764 1.422 2.366 1.00 0.00 H new ATOM 0 HH11 ARG B 15 21.065 -0.823 5.087 1.00 0.00 H new ATOM 0 HH12 ARG B 15 22.459 0.021 5.769 1.00 0.00 H new ATOM 0 HH21 ARG B 15 22.495 2.533 3.284 1.00 0.00 H new ATOM 0 HH22 ARG B 15 23.266 1.917 4.749 1.00 0.00 H new ATOM 979 N LEU B 16 15.290 -2.847 1.092 1.00 0.00 N ATOM 980 CA LEU B 16 14.135 -3.731 1.154 1.00 0.00 C ATOM 981 C LEU B 16 14.545 -5.114 0.644 1.00 0.00 C ATOM 982 O LEU B 16 14.045 -6.109 1.167 1.00 0.00 O ATOM 983 CB LEU B 16 12.951 -3.133 0.384 1.00 0.00 C ATOM 984 CG LEU B 16 12.233 -2.052 1.214 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.533 -1.048 0.296 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.225 -2.691 2.180 1.00 0.00 C ATOM 0 H LEU B 16 15.210 -2.101 0.401 1.00 0.00 H new ATOM 0 HA LEU B 16 13.795 -3.840 2.184 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.304 -2.701 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.246 -3.923 0.125 1.00 0.00 H new ATOM 0 HG LEU B 16 12.980 -1.519 1.802 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.031 -0.292 0.899 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.270 -0.568 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.798 -1.568 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU B 16 10.729 -1.911 2.757 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.482 -3.251 1.612 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.748 -3.366 2.858 1.00 0.00 H new ATOM 998 N MET B 17 15.460 -5.208 -0.332 1.00 0.00 N ATOM 999 CA MET B 17 15.918 -6.507 -0.824 1.00 0.00 C ATOM 1000 C MET B 17 16.584 -7.258 0.329 1.00 0.00 C ATOM 1001 O MET B 17 16.408 -8.471 0.431 1.00 0.00 O ATOM 1002 CB MET B 17 16.928 -6.404 -1.973 1.00 0.00 C ATOM 1003 CG MET B 17 16.377 -5.756 -3.232 1.00 0.00 C ATOM 1004 SD MET B 17 17.625 -5.688 -4.544 1.00 0.00 S ATOM 1005 CE MET B 17 16.605 -4.982 -5.850 1.00 0.00 C ATOM 0 H MET B 17 15.892 -4.405 -0.790 1.00 0.00 H new ATOM 0 HA MET B 17 15.041 -7.028 -1.207 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.792 -5.833 -1.632 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.284 -7.404 -2.219 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.510 -6.317 -3.582 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.033 -4.747 -3.003 1.00 0.00 H new ATOM 0 HE1 MET B 17 17.004 -5.273 -6.821 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.583 -5.349 -5.753 1.00 0.00 H new ATOM 0 HE3 MET B 17 16.609 -3.895 -5.767 1.00 0.00 H new ATOM 1015 N SER B 18 17.313 -6.564 1.212 1.00 0.00 N ATOM 1016 CA SER B 18 17.977 -7.178 2.360 1.00 0.00 C ATOM 1017 C SER B 18 16.962 -7.924 3.237 1.00 0.00 C ATOM 1018 O SER B 18 17.295 -8.982 3.768 1.00 0.00 O ATOM 1019 CB SER B 18 18.734 -6.130 3.186 1.00 0.00 C ATOM 1020 OG SER B 18 19.477 -5.252 2.358 1.00 0.00 O ATOM 0 H SER B 18 17.457 -5.556 1.146 1.00 0.00 H new ATOM 0 HA SER B 18 18.703 -7.898 1.982 1.00 0.00 H new ATOM 0 HB2 SER B 18 18.026 -5.556 3.784 1.00 0.00 H new ATOM 0 HB3 SER B 18 19.406 -6.631 3.882 1.00 0.00 H new ATOM 0 HG SER B 18 19.946 -4.596 2.915 1.00 0.00 H new ATOM 1026 N GLN B 19 15.722 -7.430 3.360 1.00 0.00 N ATOM 1027 CA GLN B 19 14.685 -8.086 4.157 1.00 0.00 C ATOM 1028 C GLN B 19 14.178 -9.383 3.494 1.00 0.00 C ATOM 1029 O GLN B 19 13.447 -10.138 4.132 1.00 0.00 O ATOM 1030 CB GLN B 19 13.522 -7.123 4.447 1.00 0.00 C ATOM 1031 CG GLN B 19 13.911 -5.940 5.351 1.00 0.00 C ATOM 1032 CD GLN B 19 12.679 -5.123 5.745 1.00 0.00 C ATOM 1033 OE1 GLN B 19 11.689 -5.662 6.236 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.673 -3.818 5.519 1.00 0.00 N ATOM 0 H GLN B 19 15.414 -6.568 2.910 1.00 0.00 H new ATOM 0 HA GLN B 19 15.140 -8.368 5.107 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.137 -6.737 3.503 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.711 -7.678 4.918 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.408 -6.311 6.248 1.00 0.00 H new ATOM 0 HG3 GLN B 19 14.625 -5.301 4.832 1.00 0.00 H new ATOM 0 HE21 GLN B 19 13.492 -3.367 5.112 1.00 0.00 H new ATOM 0 HE22 GLN B 19 11.849 -3.264 5.752 1.00 0.00 H new ATOM 1043 N GLY B 20 14.555 -9.657 2.239 1.00 0.00 N ATOM 1044 CA GLY B 20 14.183 -10.847 1.483 1.00 0.00 C ATOM 1045 C GLY B 20 13.095 -10.628 0.433 1.00 0.00 C ATOM 1046 O GLY B 20 12.787 -11.566 -0.300 1.00 0.00 O ATOM 0 H GLY B 20 15.152 -9.026 1.705 1.00 0.00 H new ATOM 0 HA2 GLY B 20 15.072 -11.238 0.988 1.00 0.00 H new ATOM 0 HA3 GLY B 20 13.845 -11.612 2.181 1.00 0.00 H new ATOM 1050 N TYR B 21 12.521 -9.430 0.318 1.00 0.00 N ATOM 1051 CA TYR B 21 11.464 -9.159 -0.653 1.00 0.00 C ATOM 1052 C TYR B 21 11.972 -9.121 -2.097 1.00 0.00 C ATOM 1053 O TYR B 21 13.173 -8.967 -2.341 1.00 0.00 O ATOM 1054 CB TYR B 21 10.829 -7.813 -0.329 1.00 0.00 C ATOM 1055 CG TYR B 21 10.242 -7.691 1.062 1.00 0.00 C ATOM 1056 CD1 TYR B 21 9.067 -8.389 1.394 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.789 -6.767 1.972 1.00 0.00 C ATOM 1058 CE1 TYR B 21 8.436 -8.151 2.626 1.00 0.00 C ATOM 1059 CE2 TYR B 21 10.154 -6.517 3.198 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.966 -7.203 3.525 1.00 0.00 C ATOM 1061 OH TYR B 21 8.276 -6.872 4.649 1.00 0.00 O ATOM 0 H TYR B 21 12.775 -8.626 0.892 1.00 0.00 H new ATOM 0 HA TYR B 21 10.744 -9.974 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.581 -7.035 -0.457 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.041 -7.617 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.651 -9.107 0.703 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.703 -6.247 1.725 1.00 0.00 H new ATOM 0 HE1 TYR B 21 7.541 -8.697 2.886 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.574 -5.801 3.889 1.00 0.00 H new ATOM 0 HH TYR B 21 7.510 -6.309 4.409 1.00 0.00 H new ATOM 1071 N SER B 22 11.042 -9.235 -3.049 1.00 0.00 N ATOM 1072 CA SER B 22 11.311 -9.205 -4.483 1.00 0.00 C ATOM 1073 C SER B 22 11.282 -7.756 -4.983 1.00 0.00 C ATOM 1074 O SER B 22 10.572 -6.909 -4.437 1.00 0.00 O ATOM 1075 CB SER B 22 10.229 -9.981 -5.244 1.00 0.00 C ATOM 1076 OG SER B 22 9.943 -11.255 -4.694 1.00 0.00 O ATOM 0 H SER B 22 10.052 -9.354 -2.833 1.00 0.00 H new ATOM 0 HA SER B 22 12.289 -9.655 -4.655 1.00 0.00 H new ATOM 0 HB2 SER B 22 9.314 -9.389 -5.259 1.00 0.00 H new ATOM 0 HB3 SER B 22 10.545 -10.106 -6.280 1.00 0.00 H new ATOM 0 HG SER B 22 9.246 -11.692 -5.226 1.00 0.00 H new ATOM 1082 N TYR B 23 11.994 -7.476 -6.073 1.00 0.00 N ATOM 1083 CA TYR B 23 12.068 -6.155 -6.679 1.00 0.00 C ATOM 1084 C TYR B 23 10.701 -5.668 -7.163 1.00 0.00 C ATOM 1085 O TYR B 23 10.346 -4.518 -6.915 1.00 0.00 O ATOM 1086 CB TYR B 23 13.057 -6.187 -7.847 1.00 0.00 C ATOM 1087 CG TYR B 23 13.161 -4.865 -8.574 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.998 -3.850 -8.080 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.416 -4.644 -9.748 1.00 0.00 C ATOM 1090 CE1 TYR B 23 14.121 -2.633 -8.768 1.00 0.00 C ATOM 1091 CE2 TYR B 23 12.522 -3.425 -10.434 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.379 -2.412 -9.948 1.00 0.00 C ATOM 1093 OH TYR B 23 13.469 -1.216 -10.586 1.00 0.00 O ATOM 0 H TYR B 23 12.545 -8.178 -6.567 1.00 0.00 H new ATOM 0 HA TYR B 23 12.411 -5.454 -5.918 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.042 -6.468 -7.474 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.752 -6.960 -8.553 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.550 -4.007 -7.165 1.00 0.00 H new ATOM 0 HD2 TYR B 23 11.760 -5.416 -10.122 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.783 -1.866 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR B 23 11.948 -3.261 -11.334 1.00 0.00 H new ATOM 0 HH TYR B 23 12.897 -1.226 -11.382 1.00 0.00 H new ATOM 1103 N GLN B 24 9.938 -6.527 -7.848 1.00 0.00 N ATOM 1104 CA GLN B 24 8.618 -6.199 -8.392 1.00 0.00 C ATOM 1105 C GLN B 24 7.717 -5.638 -7.296 1.00 0.00 C ATOM 1106 O GLN B 24 7.150 -4.558 -7.448 1.00 0.00 O ATOM 1107 CB GLN B 24 7.961 -7.439 -9.018 1.00 0.00 C ATOM 1108 CG GLN B 24 8.573 -7.899 -10.347 1.00 0.00 C ATOM 1109 CD GLN B 24 10.030 -8.330 -10.216 1.00 0.00 C ATOM 1110 OE1 GLN B 24 10.374 -9.127 -9.343 1.00 0.00 O ATOM 1111 NE2 GLN B 24 10.921 -7.761 -11.009 1.00 0.00 N ATOM 0 H GLN B 24 10.227 -7.486 -8.043 1.00 0.00 H new ATOM 0 HA GLN B 24 8.751 -5.445 -9.168 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.020 -8.261 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.903 -7.230 -9.176 1.00 0.00 H new ATOM 0 HG2 GLN B 24 7.988 -8.730 -10.741 1.00 0.00 H new ATOM 0 HG3 GLN B 24 8.504 -7.088 -11.072 1.00 0.00 H new ATOM 0 HE21 GLN B 24 10.618 -7.103 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN B 24 11.912 -7.980 -10.903 1.00 0.00 H new ATOM 1120 N ASP B 25 7.620 -6.363 -6.181 1.00 0.00 N ATOM 1121 CA ASP B 25 6.813 -5.982 -5.027 1.00 0.00 C ATOM 1122 C ASP B 25 7.222 -4.598 -4.547 1.00 0.00 C ATOM 1123 O ASP B 25 6.363 -3.738 -4.361 1.00 0.00 O ATOM 1124 CB ASP B 25 6.893 -7.034 -3.918 1.00 0.00 C ATOM 1125 CG ASP B 25 6.214 -8.331 -4.349 1.00 0.00 C ATOM 1126 OD1 ASP B 25 4.970 -8.354 -4.512 1.00 0.00 O ATOM 1127 OD2 ASP B 25 6.943 -9.328 -4.554 1.00 0.00 O ATOM 0 H ASP B 25 8.111 -7.248 -6.055 1.00 0.00 H new ATOM 0 HA ASP B 25 5.766 -5.936 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.937 -7.230 -3.671 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.418 -6.653 -3.014 1.00 0.00 H new ATOM 1132 N ILE B 26 8.527 -4.358 -4.395 1.00 0.00 N ATOM 1133 CA ILE B 26 9.038 -3.065 -3.959 1.00 0.00 C ATOM 1134 C ILE B 26 8.533 -1.981 -4.926 1.00 0.00 C ATOM 1135 O ILE B 26 7.973 -0.982 -4.471 1.00 0.00 O ATOM 1136 CB ILE B 26 10.577 -3.102 -3.806 1.00 0.00 C ATOM 1137 CG1 ILE B 26 11.016 -4.099 -2.710 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.101 -1.702 -3.452 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.473 -4.558 -2.859 1.00 0.00 C ATOM 0 H ILE B 26 9.252 -5.053 -4.571 1.00 0.00 H new ATOM 0 HA ILE B 26 8.660 -2.818 -2.967 1.00 0.00 H new ATOM 0 HB ILE B 26 10.995 -3.430 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.886 -3.635 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.362 -4.971 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.185 -1.735 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.835 -1.003 -4.245 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.655 -1.373 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.718 -5.256 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.603 -5.050 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.134 -3.694 -2.801 1.00 0.00 H new ATOM 1151 N GLN B 27 8.694 -2.166 -6.243 1.00 0.00 N ATOM 1152 CA GLN B 27 8.239 -1.188 -7.227 1.00 0.00 C ATOM 1153 C GLN B 27 6.740 -0.919 -7.121 1.00 0.00 C ATOM 1154 O GLN B 27 6.350 0.246 -7.193 1.00 0.00 O ATOM 1155 CB GLN B 27 8.604 -1.594 -8.661 1.00 0.00 C ATOM 1156 CG GLN B 27 10.109 -1.727 -8.910 1.00 0.00 C ATOM 1157 CD GLN B 27 10.925 -0.574 -8.330 1.00 0.00 C ATOM 1158 OE1 GLN B 27 11.889 -0.860 -7.473 1.00 0.00 O flip ATOM 1159 NE2 GLN B 27 10.684 0.595 -8.601 1.00 0.00 N flip ATOM 0 H GLN B 27 9.139 -2.990 -6.648 1.00 0.00 H new ATOM 0 HA GLN B 27 8.766 -0.263 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.123 -2.545 -8.891 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.196 -0.855 -9.351 1.00 0.00 H new ATOM 0 HG2 GLN B 27 10.460 -2.664 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.288 -1.785 -9.984 1.00 0.00 H new ATOM 0 HE21 GLN B 27 9.941 0.823 -9.262 1.00 0.00 H new ATOM 0 HE22 GLN B 27 11.226 1.342 -8.166 1.00 0.00 H new ATOM 1168 N LYS B 28 5.903 -1.953 -6.956 1.00 0.00 N ATOM 1169 CA LYS B 28 4.453 -1.774 -6.825 1.00 0.00 C ATOM 1170 C LYS B 28 4.187 -0.845 -5.642 1.00 0.00 C ATOM 1171 O LYS B 28 3.444 0.120 -5.781 1.00 0.00 O ATOM 1172 CB LYS B 28 3.722 -3.118 -6.616 1.00 0.00 C ATOM 1173 CG LYS B 28 3.703 -4.023 -7.859 1.00 0.00 C ATOM 1174 CD LYS B 28 2.897 -5.330 -7.703 1.00 0.00 C ATOM 1175 CE LYS B 28 3.239 -6.098 -6.420 1.00 0.00 C ATOM 1176 NZ LYS B 28 3.147 -7.570 -6.551 1.00 0.00 N ATOM 0 H LYS B 28 6.209 -2.925 -6.910 1.00 0.00 H new ATOM 0 HA LYS B 28 4.069 -1.341 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.199 -3.655 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.695 -2.917 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.291 -3.458 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.730 -4.277 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS B 28 1.832 -5.096 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS B 28 3.085 -5.971 -8.564 1.00 0.00 H new ATOM 0 HE2 LYS B 28 4.250 -5.835 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS B 28 2.568 -5.773 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 3.778 -8.020 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 2.168 -7.874 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 3.430 -7.851 -7.511 1.00 0.00 H new ATOM 1190 N ALA B 29 4.781 -1.104 -4.476 1.00 0.00 N ATOM 1191 CA ALA B 29 4.555 -0.238 -3.328 1.00 0.00 C ATOM 1192 C ALA B 29 5.064 1.181 -3.588 1.00 0.00 C ATOM 1193 O ALA B 29 4.370 2.119 -3.208 1.00 0.00 O ATOM 1194 CB ALA B 29 5.208 -0.821 -2.085 1.00 0.00 C ATOM 0 H ALA B 29 5.409 -1.890 -4.307 1.00 0.00 H new ATOM 0 HA ALA B 29 3.479 -0.178 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.029 -0.161 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.783 -1.803 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.281 -0.918 -2.249 1.00 0.00 H new ATOM 1200 N LEU B 30 6.235 1.369 -4.214 1.00 0.00 N ATOM 1201 CA LEU B 30 6.764 2.697 -4.490 1.00 0.00 C ATOM 1202 C LEU B 30 5.806 3.501 -5.355 1.00 0.00 C ATOM 1203 O LEU B 30 5.463 4.620 -4.970 1.00 0.00 O ATOM 1204 CB LEU B 30 8.142 2.611 -5.169 1.00 0.00 C ATOM 1205 CG LEU B 30 9.356 2.772 -4.243 1.00 0.00 C ATOM 1206 CD1 LEU B 30 9.396 4.143 -3.552 1.00 0.00 C ATOM 1207 CD2 LEU B 30 9.502 1.669 -3.197 1.00 0.00 C ATOM 0 H LEU B 30 6.831 0.607 -4.537 1.00 0.00 H new ATOM 0 HA LEU B 30 6.878 3.209 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.218 1.647 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.194 3.379 -5.941 1.00 0.00 H new ATOM 0 HG LEU B 30 10.207 2.689 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU B 30 10.275 4.201 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.444 4.929 -4.306 1.00 0.00 H new ATOM 0 HD13 LEU B 30 8.497 4.273 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.384 1.861 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.617 1.652 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.609 0.706 -3.696 1.00 0.00 H new ATOM 1219 N VAL B 31 5.382 2.954 -6.497 1.00 0.00 N ATOM 1220 CA VAL B 31 4.478 3.655 -7.398 1.00 0.00 C ATOM 1221 C VAL B 31 3.151 3.964 -6.703 1.00 0.00 C ATOM 1222 O VAL B 31 2.722 5.117 -6.702 1.00 0.00 O ATOM 1223 CB VAL B 31 4.359 2.903 -8.743 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.600 1.572 -8.724 1.00 0.00 C ATOM 1225 CG2 VAL B 31 3.687 3.790 -9.788 1.00 0.00 C ATOM 0 H VAL B 31 5.654 2.024 -6.816 1.00 0.00 H new ATOM 0 HA VAL B 31 4.890 4.630 -7.656 1.00 0.00 H new ATOM 0 HB VAL B 31 5.395 2.663 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.588 1.146 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL B 31 4.095 0.881 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL B 31 2.577 1.741 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL B 31 3.610 3.248 -10.730 1.00 0.00 H new ATOM 0 HG22 VAL B 31 2.690 4.065 -9.445 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.281 4.692 -9.936 1.00 0.00 H new ATOM 1235 N ILE B 32 2.536 2.978 -6.042 1.00 0.00 N ATOM 1236 CA ILE B 32 1.263 3.176 -5.358 1.00 0.00 C ATOM 1237 C ILE B 32 1.408 4.241 -4.268 1.00 0.00 C ATOM 1238 O ILE B 32 0.473 5.015 -4.062 1.00 0.00 O ATOM 1239 CB ILE B 32 0.718 1.839 -4.822 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.472 0.822 -5.962 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.599 2.073 -4.068 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.313 -0.606 -5.427 1.00 0.00 C ATOM 0 H ILE B 32 2.906 2.030 -5.969 1.00 0.00 H new ATOM 0 HA ILE B 32 0.525 3.547 -6.069 1.00 0.00 H new ATOM 0 HB ILE B 32 1.470 1.427 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.424 1.105 -6.514 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.304 0.856 -6.665 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -0.977 1.122 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -0.424 2.750 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.332 2.513 -4.744 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.142 -1.289 -6.259 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.219 -0.899 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.536 -0.646 -4.744 1.00 0.00 H new ATOM 1254 N ALA B 33 2.561 4.309 -3.597 1.00 0.00 N ATOM 1255 CA ALA B 33 2.841 5.280 -2.553 1.00 0.00 C ATOM 1256 C ALA B 33 3.163 6.675 -3.119 1.00 0.00 C ATOM 1257 O ALA B 33 3.513 7.575 -2.349 1.00 0.00 O ATOM 1258 CB ALA B 33 3.982 4.780 -1.675 1.00 0.00 C ATOM 0 H ALA B 33 3.339 3.673 -3.774 1.00 0.00 H new ATOM 0 HA ALA B 33 1.938 5.386 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.188 5.512 -0.894 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.701 3.831 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.875 4.639 -2.284 1.00 0.00 H new ATOM 1264 N HIS B 34 3.036 6.879 -4.434 1.00 0.00 N ATOM 1265 CA HIS B 34 3.317 8.122 -5.141 1.00 0.00 C ATOM 1266 C HIS B 34 4.809 8.448 -5.004 1.00 0.00 C ATOM 1267 O HIS B 34 5.187 9.595 -4.758 1.00 0.00 O ATOM 1268 CB HIS B 34 2.358 9.253 -4.709 1.00 0.00 C ATOM 1269 CG HIS B 34 0.885 8.913 -4.804 1.00 0.00 C ATOM 1270 ND1 HIS B 34 -0.122 9.415 -4.006 1.00 0.00 N ATOM 1271 CD2 HIS B 34 0.306 8.050 -5.695 1.00 0.00 C ATOM 1272 CE1 HIS B 34 -1.280 8.873 -4.416 1.00 0.00 C ATOM 1273 NE2 HIS B 34 -1.077 8.039 -5.452 1.00 0.00 N ATOM 0 H HIS B 34 2.718 6.141 -5.062 1.00 0.00 H new ATOM 0 HA HIS B 34 3.118 8.007 -6.207 1.00 0.00 H new ATOM 0 HB2 HIS B 34 2.586 9.529 -3.680 1.00 0.00 H new ATOM 0 HB3 HIS B 34 2.554 10.130 -5.325 1.00 0.00 H new ATOM 0 HD2 HIS B 34 0.822 7.478 -6.452 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.244 9.079 -3.974 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -1.784 7.507 -5.958 1.00 0.00 H new ATOM 1281 N ASN B 35 5.656 7.426 -5.184 1.00 0.00 N ATOM 1282 CA ASN B 35 7.116 7.433 -5.094 1.00 0.00 C ATOM 1283 C ASN B 35 7.581 7.941 -3.725 1.00 0.00 C ATOM 1284 O ASN B 35 8.439 8.826 -3.620 1.00 0.00 O ATOM 1285 CB ASN B 35 7.786 8.142 -6.286 1.00 0.00 C ATOM 1286 CG ASN B 35 7.651 7.387 -7.599 1.00 0.00 C ATOM 1287 OD1 ASN B 35 7.584 6.160 -7.623 1.00 0.00 O ATOM 1288 ND2 ASN B 35 7.655 8.096 -8.715 1.00 0.00 N ATOM 0 H ASN B 35 5.305 6.497 -5.416 1.00 0.00 H new ATOM 0 HA ASN B 35 7.457 6.400 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN B 35 7.349 9.134 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN B 35 8.844 8.284 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.602 7.625 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN B 35 7.711 9.114 -8.673 1.00 0.00 H new ATOM 1295 N ASN B 36 7.011 7.360 -2.664 1.00 0.00 N ATOM 1296 CA ASN B 36 7.308 7.670 -1.269 1.00 0.00 C ATOM 1297 C ASN B 36 7.791 6.408 -0.570 1.00 0.00 C ATOM 1298 O ASN B 36 6.984 5.538 -0.249 1.00 0.00 O ATOM 1299 CB ASN B 36 6.092 8.272 -0.561 1.00 0.00 C ATOM 1300 CG ASN B 36 6.418 8.741 0.852 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.522 8.555 1.362 1.00 0.00 O ATOM 1302 ND2 ASN B 36 5.463 9.373 1.510 1.00 0.00 N ATOM 0 H ASN B 36 6.303 6.633 -2.762 1.00 0.00 H new ATOM 0 HA ASN B 36 8.097 8.422 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN B 36 5.716 9.113 -1.143 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.294 7.530 -0.520 1.00 0.00 H new ATOM 0 HD21 ASN B 36 5.635 9.715 2.455 1.00 0.00 H new ATOM 0 HD22 ASN B 36 4.553 9.519 1.073 1.00 0.00 H new ATOM 1309 N ILE B 37 9.101 6.301 -0.348 1.00 0.00 N ATOM 1310 CA ILE B 37 9.728 5.154 0.295 1.00 0.00 C ATOM 1311 C ILE B 37 9.180 4.866 1.698 1.00 0.00 C ATOM 1312 O ILE B 37 8.979 3.702 2.033 1.00 0.00 O ATOM 1313 CB ILE B 37 11.265 5.343 0.297 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.004 4.086 0.795 1.00 0.00 C ATOM 1315 CG2 ILE B 37 11.739 6.536 1.152 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.888 2.880 -0.144 1.00 0.00 C ATOM 0 H ILE B 37 9.767 7.026 -0.617 1.00 0.00 H new ATOM 0 HA ILE B 37 9.477 4.268 -0.288 1.00 0.00 H new ATOM 0 HB ILE B 37 11.510 5.539 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.058 4.327 0.931 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.611 3.810 1.774 1.00 0.00 H new ATOM 0 HG21 ILE B 37 12.826 6.607 1.106 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.299 7.456 0.768 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.428 6.389 2.186 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.435 2.037 0.278 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.839 2.610 -0.261 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.308 3.135 -1.117 1.00 0.00 H new ATOM 1328 N GLU B 38 8.928 5.891 2.515 1.00 0.00 N ATOM 1329 CA GLU B 38 8.433 5.744 3.883 1.00 0.00 C ATOM 1330 C GLU B 38 7.093 5.008 3.884 1.00 0.00 C ATOM 1331 O GLU B 38 6.911 3.987 4.549 1.00 0.00 O ATOM 1332 CB GLU B 38 8.301 7.130 4.545 1.00 0.00 C ATOM 1333 CG GLU B 38 9.619 7.926 4.561 1.00 0.00 C ATOM 1334 CD GLU B 38 9.469 9.320 5.176 1.00 0.00 C ATOM 1335 OE1 GLU B 38 8.514 10.048 4.833 1.00 0.00 O ATOM 1336 OE2 GLU B 38 10.369 9.723 5.954 1.00 0.00 O ATOM 0 H GLU B 38 9.065 6.863 2.238 1.00 0.00 H new ATOM 0 HA GLU B 38 9.144 5.153 4.460 1.00 0.00 H new ATOM 0 HB2 GLU B 38 7.543 7.707 4.016 1.00 0.00 H new ATOM 0 HB3 GLU B 38 7.949 7.004 5.569 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.368 7.366 5.121 1.00 0.00 H new ATOM 0 HG3 GLU B 38 9.991 8.023 3.541 1.00 0.00 H new ATOM 1343 N MET B 39 6.166 5.532 3.093 1.00 0.00 N ATOM 1344 CA MET B 39 4.821 5.035 2.909 1.00 0.00 C ATOM 1345 C MET B 39 4.868 3.646 2.267 1.00 0.00 C ATOM 1346 O MET B 39 4.214 2.717 2.740 1.00 0.00 O ATOM 1347 CB MET B 39 4.122 6.094 2.056 1.00 0.00 C ATOM 1348 CG MET B 39 2.607 6.013 1.972 1.00 0.00 C ATOM 1349 SD MET B 39 1.947 7.538 1.228 1.00 0.00 S ATOM 1350 CE MET B 39 0.206 7.514 1.726 1.00 0.00 C ATOM 0 H MET B 39 6.350 6.364 2.533 1.00 0.00 H new ATOM 0 HA MET B 39 4.270 4.894 3.839 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.389 7.076 2.447 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.522 6.034 1.044 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.313 5.150 1.375 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.186 5.871 2.967 1.00 0.00 H new ATOM 0 HE1 MET B 39 -0.245 8.484 1.518 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.322 6.741 1.167 1.00 0.00 H new ATOM 0 HE3 MET B 39 0.136 7.302 2.793 1.00 0.00 H new ATOM 1360 N ALA B 40 5.685 3.471 1.224 1.00 0.00 N ATOM 1361 CA ALA B 40 5.830 2.203 0.529 1.00 0.00 C ATOM 1362 C ALA B 40 6.322 1.110 1.477 1.00 0.00 C ATOM 1363 O ALA B 40 5.794 -0.001 1.459 1.00 0.00 O ATOM 1364 CB ALA B 40 6.791 2.358 -0.646 1.00 0.00 C ATOM 0 H ALA B 40 6.266 4.216 0.840 1.00 0.00 H new ATOM 0 HA ALA B 40 4.852 1.906 0.152 1.00 0.00 H new ATOM 0 HB1 ALA B 40 6.893 1.403 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.401 3.104 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.766 2.679 -0.279 1.00 0.00 H new ATOM 1370 N LYS B 41 7.312 1.411 2.324 1.00 0.00 N ATOM 1371 CA LYS B 41 7.862 0.463 3.293 1.00 0.00 C ATOM 1372 C LYS B 41 6.759 -0.095 4.173 1.00 0.00 C ATOM 1373 O LYS B 41 6.836 -1.267 4.527 1.00 0.00 O ATOM 1374 CB LYS B 41 8.904 1.157 4.178 1.00 0.00 C ATOM 1375 CG LYS B 41 10.301 1.137 3.561 1.00 0.00 C ATOM 1376 CD LYS B 41 11.175 2.135 4.317 1.00 0.00 C ATOM 1377 CE LYS B 41 12.611 2.116 3.808 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.353 0.922 4.251 1.00 0.00 N ATOM 0 H LYS B 41 7.757 2.328 2.355 1.00 0.00 H new ATOM 0 HA LYS B 41 8.333 -0.352 2.743 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.601 2.190 4.349 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.933 0.668 5.152 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.728 0.136 3.622 1.00 0.00 H new ATOM 0 HG3 LYS B 41 10.253 1.399 2.504 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.762 3.138 4.208 1.00 0.00 H new ATOM 0 HD3 LYS B 41 11.162 1.899 5.381 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.607 2.153 2.719 1.00 0.00 H new ATOM 0 HE3 LYS B 41 13.128 3.010 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.323 0.958 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.382 0.897 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.878 0.067 3.898 1.00 0.00 H new ATOM 1392 N ASN B 42 5.769 0.722 4.534 1.00 0.00 N ATOM 1393 CA ASN B 42 4.655 0.296 5.365 1.00 0.00 C ATOM 1394 C ASN B 42 3.776 -0.679 4.582 1.00 0.00 C ATOM 1395 O ASN B 42 3.387 -1.708 5.134 1.00 0.00 O ATOM 1396 CB ASN B 42 3.884 1.516 5.892 1.00 0.00 C ATOM 1397 CG ASN B 42 4.677 2.262 6.956 1.00 0.00 C ATOM 1398 OD1 ASN B 42 5.396 1.662 7.753 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.584 3.575 7.003 1.00 0.00 N ATOM 0 H ASN B 42 5.722 1.702 4.254 1.00 0.00 H new ATOM 0 HA ASN B 42 5.023 -0.236 6.242 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.659 2.190 5.065 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.930 1.192 6.308 1.00 0.00 H new ATOM 0 HD21 ASN B 42 5.110 4.099 7.703 1.00 0.00 H new ATOM 0 HD22 ASN B 42 3.986 4.068 6.340 1.00 0.00 H new ATOM 1406 N ILE B 43 3.484 -0.412 3.299 1.00 0.00 N ATOM 1407 CA ILE B 43 2.665 -1.300 2.458 1.00 0.00 C ATOM 1408 C ILE B 43 3.331 -2.680 2.450 1.00 0.00 C ATOM 1409 O ILE B 43 2.720 -3.714 2.729 1.00 0.00 O ATOM 1410 CB ILE B 43 2.518 -0.751 1.010 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.916 0.668 0.979 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.647 -1.709 0.189 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.838 1.309 -0.410 1.00 0.00 C ATOM 0 H ILE B 43 3.809 0.425 2.816 1.00 0.00 H new ATOM 0 HA ILE B 43 1.657 -1.363 2.868 1.00 0.00 H new ATOM 0 HB ILE B 43 3.516 -0.685 0.577 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.912 0.630 1.402 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.510 1.312 1.627 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.543 -1.326 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.116 -2.692 0.160 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.662 -1.790 0.649 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.401 2.304 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.840 1.387 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.217 0.693 -1.061 1.00 0.00 H new ATOM 1425 N LEU B 44 4.634 -2.673 2.181 1.00 0.00 N ATOM 1426 CA LEU B 44 5.481 -3.851 2.111 1.00 0.00 C ATOM 1427 C LEU B 44 5.618 -4.566 3.458 1.00 0.00 C ATOM 1428 O LEU B 44 6.175 -5.661 3.510 1.00 0.00 O ATOM 1429 CB LEU B 44 6.865 -3.439 1.581 1.00 0.00 C ATOM 1430 CG LEU B 44 6.807 -2.835 0.164 1.00 0.00 C ATOM 1431 CD1 LEU B 44 8.102 -2.085 -0.164 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.453 -3.889 -0.893 1.00 0.00 C ATOM 0 H LEU B 44 5.145 -1.809 1.999 1.00 0.00 H new ATOM 0 HA LEU B 44 5.009 -4.562 1.433 1.00 0.00 H new ATOM 0 HB2 LEU B 44 7.308 -2.713 2.262 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.520 -4.310 1.573 1.00 0.00 H new ATOM 0 HG LEU B 44 5.998 -2.104 0.144 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.036 -1.668 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.247 -1.279 0.555 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.945 -2.774 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.423 -3.421 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU B 44 7.207 -4.676 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.478 -4.319 -0.665 1.00 0.00 H new ATOM 1444 N ARG B 45 5.085 -4.015 4.547 1.00 0.00 N ATOM 1445 CA ARG B 45 5.183 -4.598 5.873 1.00 0.00 C ATOM 1446 C ARG B 45 3.868 -5.157 6.391 1.00 0.00 C ATOM 1447 O ARG B 45 3.911 -6.198 7.040 1.00 0.00 O ATOM 1448 CB ARG B 45 5.748 -3.509 6.782 1.00 0.00 C ATOM 1449 CG ARG B 45 6.473 -4.056 8.003 1.00 0.00 C ATOM 1450 CD ARG B 45 7.230 -2.890 8.632 1.00 0.00 C ATOM 1451 NE ARG B 45 8.150 -3.372 9.653 1.00 0.00 N ATOM 1452 CZ ARG B 45 8.643 -2.646 10.649 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.447 -1.331 10.702 1.00 0.00 N ATOM 1454 NH2 ARG B 45 9.335 -3.278 11.587 1.00 0.00 N ATOM 0 H ARG B 45 4.566 -3.137 4.527 1.00 0.00 H new ATOM 0 HA ARG B 45 5.839 -5.468 5.846 1.00 0.00 H new ATOM 0 HB2 ARG B 45 6.436 -2.888 6.208 1.00 0.00 H new ATOM 0 HB3 ARG B 45 4.934 -2.863 7.111 1.00 0.00 H new ATOM 0 HG2 ARG B 45 5.765 -4.484 8.713 1.00 0.00 H new ATOM 0 HG3 ARG B 45 7.160 -4.853 7.719 1.00 0.00 H new ATOM 0 HD2 ARG B 45 7.782 -2.349 7.863 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.524 -2.186 9.073 1.00 0.00 H new ATOM 0 HE ARG B 45 8.440 -4.349 9.598 1.00 0.00 H new ATOM 0 HH11 ARG B 45 7.911 -0.865 9.970 1.00 0.00 H new ATOM 0 HH12 ARG B 45 8.833 -0.789 11.475 1.00 0.00 H new ATOM 0 HH21 ARG B 45 9.472 -4.287 11.527 1.00 0.00 H new ATOM 0 HH22 ARG B 45 9.730 -2.755 12.369 1.00 0.00 H new ATOM 1468 N GLU B 46 2.727 -4.544 6.071 1.00 0.00 N ATOM 1469 CA GLU B 46 1.425 -5.027 6.556 1.00 0.00 C ATOM 1470 C GLU B 46 0.697 -5.884 5.512 1.00 0.00 C ATOM 1471 O GLU B 46 -0.309 -6.516 5.828 1.00 0.00 O ATOM 1472 CB GLU B 46 0.559 -3.872 7.100 1.00 0.00 C ATOM 1473 CG GLU B 46 1.403 -2.920 7.977 1.00 0.00 C ATOM 1474 CD GLU B 46 0.697 -2.115 9.073 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -0.463 -2.394 9.434 1.00 0.00 O ATOM 1476 OE2 GLU B 46 1.385 -1.227 9.645 1.00 0.00 O ATOM 0 H GLU B 46 2.674 -3.714 5.480 1.00 0.00 H new ATOM 0 HA GLU B 46 1.618 -5.691 7.398 1.00 0.00 H new ATOM 0 HB2 GLU B 46 0.122 -3.317 6.270 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -0.268 -4.275 7.685 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.184 -3.513 8.453 1.00 0.00 H new ATOM 0 HG3 GLU B 46 1.900 -2.212 7.314 1.00 0.00 H new ATOM 1483 N PHE B 47 1.212 -5.948 4.277 1.00 0.00 N ATOM 1484 CA PHE B 47 0.635 -6.745 3.195 1.00 0.00 C ATOM 1485 C PHE B 47 1.686 -7.708 2.654 1.00 0.00 C ATOM 1486 O PHE B 47 1.465 -8.918 2.639 1.00 0.00 O ATOM 1487 CB PHE B 47 0.096 -5.871 2.063 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.204 -5.158 2.364 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -2.431 -5.809 2.124 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -1.190 -3.821 2.806 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.636 -5.130 2.359 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -2.399 -3.154 3.058 1.00 0.00 C ATOM 1493 CZ PHE B 47 -3.620 -3.812 2.838 1.00 0.00 C ATOM 0 H PHE B 47 2.052 -5.440 4.001 1.00 0.00 H new ATOM 0 HA PHE B 47 -0.207 -7.304 3.604 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.850 -5.126 1.810 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.046 -6.494 1.180 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.443 -6.826 1.761 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -0.250 -3.309 2.951 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -4.578 -5.623 2.171 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.390 -2.137 3.420 1.00 0.00 H new ATOM 0 HZ PHE B 47 -4.550 -3.301 3.038 1.00 0.00 H new ATOM 1503 N SER B 48 2.818 -7.178 2.176 1.00 0.00 N ATOM 1504 CA SER B 48 3.897 -8.008 1.640 1.00 0.00 C ATOM 1505 C SER B 48 4.649 -8.713 2.785 1.00 0.00 C ATOM 1506 O SER B 48 5.335 -9.705 2.545 1.00 0.00 O ATOM 1507 CB SER B 48 4.820 -7.131 0.779 1.00 0.00 C ATOM 1508 OG SER B 48 5.575 -7.841 -0.173 1.00 0.00 O ATOM 0 H SER B 48 3.008 -6.176 2.151 1.00 0.00 H new ATOM 0 HA SER B 48 3.491 -8.795 1.005 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.215 -6.386 0.262 1.00 0.00 H new ATOM 0 HB3 SER B 48 5.502 -6.589 1.435 1.00 0.00 H new ATOM 0 HG SER B 48 6.134 -7.216 -0.680 1.00 0.00 H new ATOM 1514 N GLY B 49 4.559 -8.192 4.016 1.00 0.00 N ATOM 1515 CA GLY B 49 5.188 -8.739 5.211 1.00 0.00 C ATOM 1516 C GLY B 49 4.186 -9.607 5.980 1.00 0.00 C ATOM 1517 O GLY B 49 3.047 -9.768 5.530 1.00 0.00 O ATOM 0 H GLY B 49 4.024 -7.345 4.207 1.00 0.00 H new ATOM 0 HA2 GLY B 49 6.059 -9.333 4.934 1.00 0.00 H new ATOM 0 HA3 GLY B 49 5.544 -7.929 5.848 1.00 0.00 H new ATOM 1521 N PRO B 50 4.589 -10.209 7.110 1.00 0.00 N ATOM 1522 CA PRO B 50 3.703 -11.055 7.902 1.00 0.00 C ATOM 1523 C PRO B 50 2.603 -10.219 8.564 1.00 0.00 C ATOM 1524 O PRO B 50 2.730 -8.997 8.672 1.00 0.00 O ATOM 1525 CB PRO B 50 4.617 -11.731 8.927 1.00 0.00 C ATOM 1526 CG PRO B 50 5.755 -10.728 9.115 1.00 0.00 C ATOM 1527 CD PRO B 50 5.901 -10.098 7.730 1.00 0.00 C ATOM 0 HA PRO B 50 3.177 -11.794 7.298 1.00 0.00 H new ATOM 0 HB2 PRO B 50 4.094 -11.924 9.864 1.00 0.00 H new ATOM 0 HB3 PRO B 50 4.985 -12.691 8.564 1.00 0.00 H new ATOM 0 HG2 PRO B 50 5.513 -9.983 9.873 1.00 0.00 H new ATOM 0 HG3 PRO B 50 6.675 -11.218 9.433 1.00 0.00 H new ATOM 0 HD2 PRO B 50 6.213 -9.056 7.804 1.00 0.00 H new ATOM 0 HD3 PRO B 50 6.658 -10.616 7.141 1.00 0.00 H new ATOM 1535 N SER B 51 1.564 -10.876 9.087 1.00 0.00 N ATOM 1536 CA SER B 51 0.432 -10.234 9.742 1.00 0.00 C ATOM 1537 C SER B 51 0.150 -10.934 11.072 1.00 0.00 C ATOM 1538 O SER B 51 -0.863 -11.610 11.269 1.00 0.00 O ATOM 1539 CB SER B 51 -0.745 -10.237 8.762 1.00 0.00 C ATOM 1540 OG SER B 51 -1.509 -9.061 8.887 1.00 0.00 O ATOM 0 H SER B 51 1.489 -11.893 9.064 1.00 0.00 H new ATOM 0 HA SER B 51 0.635 -9.194 9.996 1.00 0.00 H new ATOM 0 HB2 SER B 51 -0.373 -10.326 7.741 1.00 0.00 H new ATOM 0 HB3 SER B 51 -1.376 -11.106 8.948 1.00 0.00 H new ATOM 0 HG SER B 51 -2.253 -9.085 8.250 1.00 0.00 H new ATOM 1546 N SER B 52 1.100 -10.820 11.995 1.00 0.00 N ATOM 1547 CA SER B 52 1.023 -11.413 13.311 1.00 0.00 C ATOM 1548 C SER B 52 1.807 -10.517 14.258 1.00 0.00 C ATOM 1549 O SER B 52 3.045 -10.492 14.231 1.00 0.00 O ATOM 1550 CB SER B 52 1.563 -12.847 13.234 1.00 0.00 C ATOM 1551 OG SER B 52 1.606 -13.448 14.512 1.00 0.00 O ATOM 0 H SER B 52 1.962 -10.299 11.837 1.00 0.00 H new ATOM 0 HA SER B 52 0.002 -11.485 13.686 1.00 0.00 H new ATOM 0 HB2 SER B 52 0.933 -13.440 12.572 1.00 0.00 H new ATOM 0 HB3 SER B 52 2.563 -12.839 12.800 1.00 0.00 H new ATOM 0 HG SER B 52 1.952 -14.361 14.433 1.00 0.00 H new ATOM 1557 N GLY B 53 1.103 -9.770 15.100 1.00 0.00 N ATOM 1558 CA GLY B 53 1.718 -8.883 16.058 1.00 0.00 C ATOM 1559 C GLY B 53 0.694 -8.443 17.068 1.00 0.00 C ATOM 1560 O GLY B 53 -0.487 -8.339 16.682 1.00 0.00 O ATOM 0 H GLY B 53 0.083 -9.769 15.131 1.00 0.00 H new ATOM 0 HA2 GLY B 53 2.544 -9.388 16.559 1.00 0.00 H new ATOM 0 HA3 GLY B 53 2.137 -8.015 15.549 1.00 0.00 H new TER 1564 GLY B 53