USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 962 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: B 55 THR OG1 : rot -55:sc= 0.804 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.111 USER MOD Set 2.1: A 64 SER OG : rot 163:sc= 1.33 USER MOD Set 2.2: A 67 GLN : amide:sc= 1.07 K(o=2.4,f=-1.6) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.955 K(o=-0.96,f=-5.3!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0622 F(o=-1.1,f=-0.062) USER MOD Single : A 72 GLN : amide:sc= 0.538 K(o=0.54,f=-0.66) USER MOD Single : A 76 MET CE :methyl 144:sc= -0.475 (180deg=-1.68) USER MOD Single : A 79 GLN : amide:sc= 0.851 K(o=0.85,f=-0.012) USER MOD Single : A 84 SER OG : rot 64:sc= 1.11 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.382 F(o=-1.5!,f=-0.38) USER MOD Single : A 91 THR OG1 : rot -82:sc= 0.747 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 MET CE :methyl -152:sc= -0.104 (180deg=-1.02) USER MOD Single : B 1 MET N :NH3+ 150:sc= 1.24 (180deg=1.18) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot -69:sc= 0.175 USER MOD Single : B 9 THR OG1 : rot -92:sc= 1.24 USER MOD Single : B 11 LYS NZ :NH3+ 167:sc= 1.25 (180deg=0.989) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : B 20 SER OG : rot 180:sc= 0.0165 USER MOD Single : B 22 THR OG1 : rot -81:sc= 0.129 USER MOD Single : B 25 ASN : amide:sc= 1.18 K(o=1.2,f=-1.2!) USER MOD Single : B 27 LYS NZ :NH3+ -156:sc= 1.31 (180deg=0.936) USER MOD Single : B 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0371) USER MOD Single : B 31 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.8) USER MOD Single : B 33 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.08) USER MOD Single : B 40 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.34) USER MOD Single : B 41 GLN : amide:sc= 0.937 K(o=0.94,f=-5.9!) USER MOD Single : B 48 LYS NZ :NH3+ -155:sc= 0.365 (180deg=-0.268) USER MOD Single : B 49 GLN :FLIP amide:sc= -0.0206 F(o=-1.3,f=-0.021) USER MOD Single : B 59 TYR OH : rot -39:sc= 0.803 USER MOD Single : B 60 ASN :FLIP amide:sc= -0.287 F(o=-1.4,f=-0.29) USER MOD Single : B 62 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -136:sc= 1.26 (180deg=0.504) USER MOD Single : B 65 SER OG : rot 115:sc= 0.61 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 64 -23.500 10.360 -1.229 1.00 11.42 N ATOM 9 CA SER A 64 -23.604 8.994 -1.704 1.00 10.21 C ATOM 10 C SER A 64 -23.426 8.008 -0.548 1.00 9.88 C ATOM 11 O SER A 64 -23.294 8.420 0.606 1.00 10.50 O ATOM 12 CB SER A 64 -22.568 8.758 -2.798 1.00 9.77 C ATOM 13 OG SER A 64 -22.530 9.857 -3.693 1.00 9.97 O ATOM 0 HA SER A 64 -24.597 8.831 -2.123 1.00 10.21 H new ATOM 0 HB2 SER A 64 -21.585 8.612 -2.350 1.00 9.77 H new ATOM 0 HB3 SER A 64 -22.808 7.846 -3.344 1.00 9.77 H new ATOM 0 HG SER A 64 -21.699 9.828 -4.212 1.00 9.97 H new ATOM 19 N GLN A 65 -23.413 6.716 -0.855 1.00 9.07 N ATOM 20 CA GLN A 65 -23.284 5.685 0.172 1.00 8.94 C ATOM 21 C GLN A 65 -21.828 5.409 0.552 1.00 8.54 C ATOM 22 O GLN A 65 -21.387 5.750 1.649 1.00 9.04 O ATOM 23 CB GLN A 65 -23.938 4.381 -0.295 1.00 8.41 C ATOM 24 CG GLN A 65 -25.442 4.480 -0.487 1.00 8.81 C ATOM 25 CD GLN A 65 -26.060 3.160 -0.907 1.00 8.35 C ATOM 26 OE1 GLN A 65 -26.174 2.860 -2.095 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.462 2.359 0.065 1.00 8.68 N ATOM 0 H GLN A 65 -23.490 6.356 -1.806 1.00 9.07 H new ATOM 0 HA GLN A 65 -23.793 6.065 1.058 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.481 4.074 -1.236 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -23.725 3.598 0.433 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -25.903 4.814 0.443 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -25.660 5.236 -1.241 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.351 2.643 1.038 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -26.883 1.457 -0.159 1.00 8.68 H new ATOM 36 N TRP A 66 -21.084 4.801 -0.362 1.00 7.75 N ATOM 37 CA TRP A 66 -19.697 4.433 -0.100 1.00 7.29 C ATOM 38 C TRP A 66 -18.720 5.542 -0.481 1.00 7.94 C ATOM 39 O TRP A 66 -17.553 5.500 -0.093 1.00 7.67 O ATOM 40 CB TRP A 66 -19.342 3.152 -0.856 1.00 5.95 C ATOM 41 CG TRP A 66 -20.318 2.033 -0.638 1.00 5.44 C ATOM 42 CD1 TRP A 66 -20.417 1.230 0.461 1.00 5.69 C ATOM 43 CD2 TRP A 66 -21.329 1.589 -1.550 1.00 4.95 C ATOM 44 NE1 TRP A 66 -21.430 0.315 0.290 1.00 5.50 N ATOM 45 CE2 TRP A 66 -22.002 0.516 -0.937 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.727 1.995 -2.825 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -23.057 -0.152 -1.557 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.773 1.332 -3.438 1.00 4.46 C ATOM 49 CH2 TRP A 66 -23.424 0.266 -2.806 1.00 4.35 C ATOM 0 H TRP A 66 -21.417 4.551 -1.293 1.00 7.75 H new ATOM 0 HA TRP A 66 -19.606 4.269 0.974 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -19.288 3.373 -1.922 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -18.350 2.822 -0.548 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -19.791 1.302 1.338 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.709 -0.396 0.966 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -21.227 2.812 -3.323 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -23.566 -0.970 -1.069 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -23.094 1.642 -4.422 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -24.233 -0.237 -3.315 1.00 4.35 H new ATOM 60 N GLN A 67 -19.194 6.529 -1.234 1.00 8.91 N ATOM 61 CA GLN A 67 -18.337 7.636 -1.664 1.00 9.79 C ATOM 62 C GLN A 67 -17.699 8.380 -0.478 1.00 10.34 C ATOM 63 O GLN A 67 -16.486 8.583 -0.479 1.00 10.35 O ATOM 64 CB GLN A 67 -19.102 8.614 -2.560 1.00 10.87 C ATOM 65 CG GLN A 67 -18.196 9.557 -3.337 1.00 11.49 C ATOM 66 CD GLN A 67 -18.969 10.570 -4.158 1.00 12.17 C ATOM 67 OE1 GLN A 67 -20.078 10.300 -4.617 1.00 12.51 O ATOM 68 NE2 GLN A 67 -18.389 11.744 -4.348 1.00 12.54 N ATOM 0 H GLN A 67 -20.159 6.588 -1.559 1.00 8.91 H new ATOM 0 HA GLN A 67 -17.527 7.193 -2.243 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -19.714 8.049 -3.263 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -19.784 9.202 -1.945 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -17.543 10.083 -2.640 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -17.554 8.975 -3.998 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -17.468 11.928 -3.950 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -18.863 12.465 -4.892 1.00 12.54 H new ATOM 77 N PRO A 68 -18.476 8.798 0.553 1.00 10.91 N ATOM 78 CA PRO A 68 -17.917 9.522 1.709 1.00 11.55 C ATOM 79 C PRO A 68 -16.835 8.727 2.439 1.00 10.63 C ATOM 80 O PRO A 68 -15.913 9.297 3.024 1.00 10.96 O ATOM 81 CB PRO A 68 -19.126 9.728 2.629 1.00 12.27 C ATOM 82 CG PRO A 68 -20.308 9.629 1.735 1.00 12.32 C ATOM 83 CD PRO A 68 -19.938 8.624 0.685 1.00 11.14 C ATOM 0 HA PRO A 68 -17.432 10.448 1.399 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -19.159 8.972 3.413 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -19.085 10.698 3.124 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -21.192 9.311 2.288 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -20.543 10.595 1.287 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -20.197 7.610 0.989 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -20.453 8.816 -0.256 1.00 11.14 H new ATOM 91 N GLN A 69 -16.942 7.408 2.382 1.00 9.49 N ATOM 92 CA GLN A 69 -15.988 6.531 3.046 1.00 8.55 C ATOM 93 C GLN A 69 -14.643 6.522 2.324 1.00 8.02 C ATOM 94 O GLN A 69 -13.603 6.258 2.928 1.00 7.78 O ATOM 95 CB GLN A 69 -16.551 5.111 3.131 1.00 7.60 C ATOM 96 CG GLN A 69 -17.737 4.971 4.077 1.00 8.24 C ATOM 97 CD GLN A 69 -17.354 5.087 5.544 1.00 9.20 C ATOM 98 OE1 GLN A 69 -16.450 5.840 5.914 1.00 9.45 O ATOM 99 NE2 GLN A 69 -18.034 4.329 6.392 1.00 9.96 N ATOM 0 H GLN A 69 -17.683 6.919 1.880 1.00 9.49 H new ATOM 0 HA GLN A 69 -15.824 6.914 4.053 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -16.855 4.791 2.134 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -15.759 4.436 3.455 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -18.475 5.738 3.840 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -18.215 4.006 3.909 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -18.775 3.718 6.049 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -17.816 4.356 7.388 1.00 9.96 H new ATOM 108 N LEU A 70 -14.664 6.837 1.034 1.00 8.02 N ATOM 109 CA LEU A 70 -13.446 6.853 0.229 1.00 7.89 C ATOM 110 C LEU A 70 -12.506 7.969 0.670 1.00 8.90 C ATOM 111 O LEU A 70 -11.296 7.891 0.462 1.00 8.74 O ATOM 112 CB LEU A 70 -13.789 7.017 -1.254 1.00 8.18 C ATOM 113 CG LEU A 70 -14.765 5.984 -1.822 1.00 7.26 C ATOM 114 CD1 LEU A 70 -15.088 6.306 -3.273 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.191 4.579 -1.701 1.00 6.12 C ATOM 0 H LEU A 70 -15.511 7.085 0.522 1.00 8.02 H new ATOM 0 HA LEU A 70 -12.938 5.900 0.376 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -14.211 8.011 -1.404 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -12.865 6.973 -1.830 1.00 8.18 H new ATOM 0 HG LEU A 70 -15.688 6.026 -1.243 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -15.783 5.563 -3.664 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -15.542 7.295 -3.334 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -14.171 6.291 -3.862 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -14.900 3.860 -2.110 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -13.254 4.520 -2.255 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -14.007 4.350 -0.651 1.00 6.12 H new ATOM 127 N GLN A 71 -13.065 8.999 1.298 1.00 9.99 N ATOM 128 CA GLN A 71 -12.274 10.132 1.766 1.00 11.06 C ATOM 129 C GLN A 71 -11.217 9.686 2.778 1.00 10.72 C ATOM 130 O GLN A 71 -10.054 10.082 2.690 1.00 11.09 O ATOM 131 CB GLN A 71 -13.188 11.195 2.380 1.00 12.24 C ATOM 132 CG GLN A 71 -12.442 12.310 3.097 1.00 13.13 C ATOM 133 CD GLN A 71 -13.334 13.486 3.443 1.00 13.82 C ATOM 134 OE1 GLN A 71 -14.219 13.851 2.532 1.00 14.10 O flip ATOM 135 NE2 GLN A 71 -13.221 14.068 4.522 1.00 14.24 N flip ATOM 0 H GLN A 71 -14.063 9.072 1.495 1.00 9.99 H new ATOM 0 HA GLN A 71 -11.756 10.563 0.909 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -13.803 11.631 1.592 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -13.867 10.714 3.084 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -11.999 11.915 4.011 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -11.621 12.655 2.468 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -12.525 13.756 5.199 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -13.823 14.862 4.738 1.00 14.24 H new ATOM 144 N GLN A 72 -11.620 8.842 3.720 1.00 10.10 N ATOM 145 CA GLN A 72 -10.703 8.350 4.743 1.00 9.84 C ATOM 146 C GLN A 72 -9.630 7.462 4.116 1.00 8.80 C ATOM 147 O GLN A 72 -8.466 7.492 4.520 1.00 8.95 O ATOM 148 CB GLN A 72 -11.477 7.578 5.817 1.00 9.58 C ATOM 149 CG GLN A 72 -10.804 7.575 7.182 1.00 10.51 C ATOM 150 CD GLN A 72 -10.089 6.271 7.482 1.00 11.48 C ATOM 151 OE1 GLN A 72 -10.675 5.339 8.032 1.00 11.74 O ATOM 152 NE2 GLN A 72 -8.818 6.198 7.128 1.00 12.15 N ATOM 0 H GLN A 72 -12.572 8.484 3.798 1.00 10.10 H new ATOM 0 HA GLN A 72 -10.212 9.203 5.211 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -12.472 8.011 5.915 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -11.609 6.548 5.486 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -10.089 8.396 7.231 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -11.553 7.759 7.952 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -8.369 6.993 6.674 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -8.286 5.346 7.309 1.00 12.15 H new ATOM 161 N LEU A 73 -10.025 6.696 3.109 1.00 7.83 N ATOM 162 CA LEU A 73 -9.111 5.797 2.416 1.00 6.88 C ATOM 163 C LEU A 73 -8.067 6.582 1.624 1.00 7.64 C ATOM 164 O LEU A 73 -6.869 6.289 1.696 1.00 7.45 O ATOM 165 CB LEU A 73 -9.896 4.871 1.487 1.00 5.88 C ATOM 166 CG LEU A 73 -10.722 3.794 2.191 1.00 5.07 C ATOM 167 CD1 LEU A 73 -11.868 3.341 1.305 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.842 2.614 2.567 1.00 4.47 C ATOM 0 H LEU A 73 -10.980 6.679 2.751 1.00 7.83 H new ATOM 0 HA LEU A 73 -8.588 5.196 3.160 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -10.564 5.477 0.875 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -9.196 4.384 0.808 1.00 5.88 H new ATOM 0 HG LEU A 73 -11.140 4.219 3.104 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -12.446 2.574 1.821 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -12.512 4.191 1.080 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -11.470 2.932 0.376 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -10.444 1.856 3.067 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -9.399 2.189 1.666 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -9.051 2.949 3.237 1.00 4.47 H new ATOM 180 N ARG A 74 -8.518 7.587 0.877 1.00 8.61 N ATOM 181 CA ARG A 74 -7.610 8.408 0.080 1.00 9.59 C ATOM 182 C ARG A 74 -6.633 9.161 0.975 1.00 10.26 C ATOM 183 O ARG A 74 -5.499 9.438 0.581 1.00 10.62 O ATOM 184 CB ARG A 74 -8.385 9.399 -0.788 1.00 10.58 C ATOM 185 CG ARG A 74 -9.160 8.746 -1.920 1.00 10.33 C ATOM 186 CD ARG A 74 -9.775 9.786 -2.842 1.00 11.09 C ATOM 187 NE ARG A 74 -10.898 9.244 -3.605 1.00 11.57 N ATOM 188 CZ ARG A 74 -12.144 9.708 -3.528 1.00 12.12 C ATOM 189 NH1 ARG A 74 -12.413 10.778 -2.780 1.00 12.26 N ATOM 190 NH2 ARG A 74 -13.114 9.124 -4.222 1.00 12.66 N ATOM 0 H ARG A 74 -9.501 7.851 0.807 1.00 8.61 H new ATOM 0 HA ARG A 74 -7.048 7.739 -0.571 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -9.079 9.954 -0.158 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -7.687 10.123 -1.208 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -8.496 8.098 -2.492 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -9.946 8.113 -1.508 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -10.114 10.638 -2.253 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -9.015 10.156 -3.529 1.00 11.09 H new ATOM 0 HE ARG A 74 -10.716 8.463 -4.235 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -11.664 11.242 -2.266 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -13.368 11.133 -2.722 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -12.905 8.320 -4.814 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -14.068 9.479 -4.163 1.00 12.66 H new ATOM 204 N ASP A 75 -7.075 9.480 2.186 1.00 10.54 N ATOM 205 CA ASP A 75 -6.237 10.193 3.143 1.00 11.27 C ATOM 206 C ASP A 75 -5.064 9.323 3.581 1.00 10.44 C ATOM 207 O ASP A 75 -3.945 9.811 3.764 1.00 10.88 O ATOM 208 CB ASP A 75 -7.056 10.625 4.361 1.00 11.97 C ATOM 209 CG ASP A 75 -6.210 11.325 5.405 1.00 12.96 C ATOM 210 OD1 ASP A 75 -5.872 12.512 5.204 1.00 13.34 O ATOM 211 OD2 ASP A 75 -5.881 10.694 6.430 1.00 13.39 O ATOM 0 H ASP A 75 -8.009 9.256 2.529 1.00 10.54 H new ATOM 0 HA ASP A 75 -5.846 11.085 2.653 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -7.857 11.291 4.040 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -7.529 9.750 4.807 1.00 11.97 H new ATOM 216 N MET A 76 -5.324 8.032 3.737 1.00 9.25 N ATOM 217 CA MET A 76 -4.292 7.084 4.137 1.00 8.38 C ATOM 218 C MET A 76 -3.303 6.885 2.999 1.00 8.05 C ATOM 219 O MET A 76 -2.089 6.823 3.205 1.00 7.84 O ATOM 220 CB MET A 76 -4.917 5.739 4.511 1.00 7.29 C ATOM 221 CG MET A 76 -5.693 5.759 5.817 1.00 7.05 C ATOM 222 SD MET A 76 -6.510 4.185 6.165 1.00 6.11 S ATOM 223 CE MET A 76 -5.139 3.040 6.007 1.00 6.19 C ATOM 0 H MET A 76 -6.244 7.616 3.592 1.00 9.25 H new ATOM 0 HA MET A 76 -3.771 7.486 5.006 1.00 8.38 H new ATOM 0 HB2 MET A 76 -5.585 5.425 3.709 1.00 7.29 H new ATOM 0 HB3 MET A 76 -4.128 4.990 4.581 1.00 7.29 H new ATOM 0 HG2 MET A 76 -5.014 6.000 6.635 1.00 7.05 H new ATOM 0 HG3 MET A 76 -6.441 6.551 5.779 1.00 7.05 H new ATOM 0 HE1 MET A 76 -5.246 2.241 6.740 1.00 6.19 H new ATOM 0 HE2 MET A 76 -5.134 2.614 5.004 1.00 6.19 H new ATOM 0 HE3 MET A 76 -4.202 3.568 6.181 1.00 6.19 H new ATOM 233 N GLY A 77 -3.839 6.802 1.792 1.00 8.19 N ATOM 234 CA GLY A 77 -3.013 6.608 0.626 1.00 8.26 C ATOM 235 C GLY A 77 -3.596 5.587 -0.323 1.00 7.78 C ATOM 236 O GLY A 77 -2.883 5.002 -1.139 1.00 8.03 O ATOM 0 H GLY A 77 -4.839 6.866 1.601 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -2.893 7.558 0.106 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -2.019 6.287 0.937 1.00 8.26 H new ATOM 240 N ILE A 78 -4.891 5.351 -0.218 1.00 7.25 N ATOM 241 CA ILE A 78 -5.543 4.399 -1.089 1.00 6.87 C ATOM 242 C ILE A 78 -6.008 5.099 -2.356 1.00 7.92 C ATOM 243 O ILE A 78 -7.154 5.538 -2.455 1.00 8.11 O ATOM 244 CB ILE A 78 -6.738 3.699 -0.406 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.348 3.183 0.986 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.240 2.553 -1.272 1.00 5.39 C ATOM 247 CD1 ILE A 78 -5.225 2.166 0.978 1.00 4.22 C ATOM 0 H ILE A 78 -5.506 5.804 0.458 1.00 7.25 H new ATOM 0 HA ILE A 78 -4.814 3.627 -1.334 1.00 6.87 H new ATOM 0 HB ILE A 78 -7.539 4.429 -0.286 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -6.052 4.030 1.606 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.225 2.736 1.455 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.083 2.067 -0.780 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -7.559 2.941 -2.239 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.438 1.829 -1.418 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -5.011 1.853 2.000 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -5.523 1.300 0.388 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -4.332 2.613 0.541 1.00 4.22 H new ATOM 259 N GLN A 79 -5.093 5.225 -3.313 1.00 8.74 N ATOM 260 CA GLN A 79 -5.390 5.869 -4.587 1.00 9.84 C ATOM 261 C GLN A 79 -6.399 5.046 -5.379 1.00 9.63 C ATOM 262 O GLN A 79 -7.068 5.558 -6.278 1.00 10.41 O ATOM 263 CB GLN A 79 -4.105 6.063 -5.396 1.00 10.93 C ATOM 264 CG GLN A 79 -3.774 7.525 -5.670 1.00 11.98 C ATOM 265 CD GLN A 79 -2.521 7.697 -6.507 1.00 12.64 C ATOM 266 OE1 GLN A 79 -2.564 7.627 -7.735 1.00 12.98 O ATOM 267 NE2 GLN A 79 -1.396 7.940 -5.856 1.00 12.99 N ATOM 0 H GLN A 79 -4.134 4.887 -3.228 1.00 8.74 H new ATOM 0 HA GLN A 79 -5.826 6.848 -4.387 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -3.274 5.605 -4.859 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -4.200 5.536 -6.345 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -4.615 7.993 -6.182 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -3.647 8.048 -4.722 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -1.397 7.991 -4.837 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -0.527 8.076 -6.373 1.00 12.99 H new ATOM 276 N ASP A 80 -6.506 3.769 -5.030 1.00 8.64 N ATOM 277 CA ASP A 80 -7.444 2.867 -5.687 1.00 8.48 C ATOM 278 C ASP A 80 -8.798 2.928 -4.994 1.00 7.69 C ATOM 279 O ASP A 80 -9.231 1.955 -4.370 1.00 6.59 O ATOM 280 CB ASP A 80 -6.930 1.423 -5.666 1.00 8.02 C ATOM 281 CG ASP A 80 -5.853 1.156 -6.694 1.00 9.04 C ATOM 282 OD1 ASP A 80 -6.057 1.479 -7.880 1.00 9.63 O ATOM 283 OD2 ASP A 80 -4.794 0.616 -6.316 1.00 9.40 O ATOM 0 H ASP A 80 -5.952 3.334 -4.292 1.00 8.64 H new ATOM 0 HA ASP A 80 -7.545 3.186 -6.724 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -6.539 1.198 -4.674 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -7.765 0.745 -5.841 1.00 8.02 H new ATOM 288 N ASP A 81 -9.462 4.068 -5.093 1.00 8.34 N ATOM 289 CA ASP A 81 -10.764 4.237 -4.462 1.00 7.85 C ATOM 290 C ASP A 81 -11.821 3.429 -5.206 1.00 7.35 C ATOM 291 O ASP A 81 -12.828 3.032 -4.625 1.00 6.42 O ATOM 292 CB ASP A 81 -11.155 5.717 -4.380 1.00 8.97 C ATOM 293 CG ASP A 81 -11.530 6.314 -5.719 1.00 9.79 C ATOM 294 OD1 ASP A 81 -10.722 6.219 -6.670 1.00 10.41 O ATOM 295 OD2 ASP A 81 -12.622 6.906 -5.822 1.00 9.98 O ATOM 0 H ASP A 81 -9.125 4.886 -5.600 1.00 8.34 H new ATOM 0 HA ASP A 81 -10.700 3.861 -3.441 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -11.995 5.826 -3.694 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -10.324 6.282 -3.958 1.00 8.97 H new ATOM 300 N GLU A 82 -11.573 3.162 -6.487 1.00 8.08 N ATOM 301 CA GLU A 82 -12.495 2.364 -7.285 1.00 7.93 C ATOM 302 C GLU A 82 -12.495 0.932 -6.767 1.00 6.97 C ATOM 303 O GLU A 82 -13.546 0.321 -6.582 1.00 6.36 O ATOM 304 CB GLU A 82 -12.107 2.378 -8.764 1.00 9.21 C ATOM 305 CG GLU A 82 -12.329 3.715 -9.452 1.00 9.80 C ATOM 306 CD GLU A 82 -12.064 3.650 -10.942 1.00 10.67 C ATOM 307 OE1 GLU A 82 -10.930 3.310 -11.335 1.00 10.93 O ATOM 308 OE2 GLU A 82 -12.986 3.944 -11.734 1.00 11.24 O ATOM 0 H GLU A 82 -10.746 3.485 -6.990 1.00 8.08 H new ATOM 0 HA GLU A 82 -13.492 2.795 -7.196 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -11.056 2.105 -8.855 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -12.682 1.613 -9.286 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -13.355 4.042 -9.282 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -11.677 4.464 -9.002 1.00 9.80 H new ATOM 315 N LEU A 83 -11.295 0.409 -6.520 1.00 6.96 N ATOM 316 CA LEU A 83 -11.135 -0.943 -5.995 1.00 6.31 C ATOM 317 C LEU A 83 -11.715 -1.004 -4.585 1.00 4.93 C ATOM 318 O LEU A 83 -12.257 -2.024 -4.158 1.00 4.43 O ATOM 319 CB LEU A 83 -9.647 -1.337 -5.991 1.00 6.75 C ATOM 320 CG LEU A 83 -9.335 -2.843 -5.918 1.00 7.08 C ATOM 321 CD1 LEU A 83 -9.149 -3.286 -4.476 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.427 -3.666 -6.583 1.00 7.88 C ATOM 0 H LEU A 83 -10.417 0.904 -6.676 1.00 6.96 H new ATOM 0 HA LEU A 83 -11.669 -1.650 -6.630 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.186 -0.936 -6.894 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.167 -0.848 -5.144 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.404 -3.013 -6.459 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -8.930 -4.353 -4.449 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -8.322 -2.734 -4.030 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -10.062 -3.089 -3.914 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -10.177 -4.725 -6.515 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.377 -3.484 -6.080 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -10.511 -3.380 -7.631 1.00 7.88 H new ATOM 334 N SER A 84 -11.617 0.116 -3.880 1.00 4.61 N ATOM 335 CA SER A 84 -12.137 0.218 -2.528 1.00 3.54 C ATOM 336 C SER A 84 -13.661 0.164 -2.538 1.00 3.20 C ATOM 337 O SER A 84 -14.270 -0.342 -1.603 1.00 2.40 O ATOM 338 CB SER A 84 -11.656 1.512 -1.871 1.00 4.04 C ATOM 339 OG SER A 84 -10.240 1.577 -1.860 1.00 4.41 O ATOM 0 H SER A 84 -11.179 0.969 -4.227 1.00 4.61 H new ATOM 0 HA SER A 84 -11.764 -0.627 -1.949 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.059 2.370 -2.409 1.00 4.04 H new ATOM 0 HB3 SER A 84 -12.035 1.569 -0.851 1.00 4.04 H new ATOM 0 HG SER A 84 -9.907 1.615 -2.781 1.00 4.41 H new ATOM 345 N LEU A 85 -14.271 0.679 -3.605 1.00 4.01 N ATOM 346 CA LEU A 85 -15.724 0.670 -3.739 1.00 3.84 C ATOM 347 C LEU A 85 -16.240 -0.765 -3.695 1.00 3.28 C ATOM 348 O LEU A 85 -17.234 -1.062 -3.032 1.00 2.78 O ATOM 349 CB LEU A 85 -16.145 1.342 -5.050 1.00 4.96 C ATOM 350 CG LEU A 85 -17.398 2.229 -4.979 1.00 5.14 C ATOM 351 CD1 LEU A 85 -18.643 1.398 -4.709 1.00 4.60 C ATOM 352 CD2 LEU A 85 -17.234 3.301 -3.912 1.00 5.12 C ATOM 0 H LEU A 85 -13.779 1.108 -4.389 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.156 1.230 -2.909 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.314 1.950 -5.407 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.316 0.565 -5.795 1.00 4.96 H new ATOM 0 HG LEU A 85 -17.520 2.716 -5.947 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -19.514 2.052 -4.664 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -18.776 0.671 -5.510 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.532 0.875 -3.759 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -18.131 3.919 -3.876 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -17.080 2.828 -2.942 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -16.373 3.925 -4.152 1.00 5.12 H new ATOM 364 N ARG A 86 -15.536 -1.654 -4.389 1.00 3.88 N ATOM 365 CA ARG A 86 -15.906 -3.063 -4.425 1.00 4.19 C ATOM 366 C ARG A 86 -15.806 -3.660 -3.025 1.00 3.70 C ATOM 367 O ARG A 86 -16.701 -4.375 -2.576 1.00 3.99 O ATOM 368 CB ARG A 86 -15.001 -3.839 -5.387 1.00 5.40 C ATOM 369 CG ARG A 86 -15.041 -3.333 -6.820 1.00 6.27 C ATOM 370 CD ARG A 86 -14.035 -4.064 -7.699 1.00 7.50 C ATOM 371 NE ARG A 86 -14.271 -5.510 -7.725 1.00 8.08 N ATOM 372 CZ ARG A 86 -13.587 -6.371 -8.484 1.00 9.13 C ATOM 373 NH1 ARG A 86 -12.626 -5.937 -9.289 1.00 9.71 N ATOM 374 NH2 ARG A 86 -13.867 -7.667 -8.435 1.00 9.73 N ATOM 0 H ARG A 86 -14.706 -1.422 -4.934 1.00 3.88 H new ATOM 0 HA ARG A 86 -16.934 -3.141 -4.780 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -13.975 -3.789 -5.024 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.292 -4.889 -5.375 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -16.044 -3.466 -7.226 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -14.830 -2.264 -6.835 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -14.089 -3.670 -8.714 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -13.027 -3.869 -7.334 1.00 7.50 H new ATOM 0 HE ARG A 86 -15.006 -5.884 -7.124 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -12.406 -4.942 -9.331 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -12.107 -6.598 -9.866 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -14.605 -8.006 -7.818 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -13.345 -8.324 -9.015 1.00 9.73 H new ATOM 388 N ALA A 87 -14.716 -3.342 -2.334 1.00 3.29 N ATOM 389 CA ALA A 87 -14.492 -3.830 -0.980 1.00 3.24 C ATOM 390 C ALA A 87 -15.528 -3.252 -0.019 1.00 2.92 C ATOM 391 O ALA A 87 -16.039 -3.950 0.853 1.00 3.77 O ATOM 392 CB ALA A 87 -13.083 -3.485 -0.522 1.00 2.94 C ATOM 0 H ALA A 87 -13.971 -2.745 -2.693 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.600 -4.915 -0.981 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -12.929 -3.855 0.491 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.359 -3.949 -1.192 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -12.950 -2.403 -0.537 1.00 2.94 H new ATOM 398 N LEU A 88 -15.837 -1.974 -0.189 1.00 2.29 N ATOM 399 CA LEU A 88 -16.822 -1.292 0.646 1.00 2.80 C ATOM 400 C LEU A 88 -18.198 -1.927 0.467 1.00 3.31 C ATOM 401 O LEU A 88 -18.957 -2.079 1.424 1.00 4.23 O ATOM 402 CB LEU A 88 -16.881 0.198 0.289 1.00 2.96 C ATOM 403 CG LEU A 88 -16.139 1.147 1.241 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.843 1.220 2.584 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.690 0.717 1.422 1.00 3.12 C ATOM 0 H LEU A 88 -15.416 -1.382 -0.905 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.521 -1.392 1.689 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.473 0.328 -0.713 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -17.927 0.501 0.248 1.00 2.96 H new ATOM 0 HG LEU A 88 -16.145 2.141 0.794 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -16.300 1.898 3.243 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.859 1.588 2.443 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.876 0.227 3.032 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -14.188 1.406 2.101 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.659 -0.290 1.839 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.184 0.726 0.456 1.00 3.12 H new ATOM 417 N GLN A 89 -18.503 -2.304 -0.767 1.00 2.99 N ATOM 418 CA GLN A 89 -19.773 -2.937 -1.092 1.00 3.54 C ATOM 419 C GLN A 89 -19.876 -4.307 -0.420 1.00 4.52 C ATOM 420 O GLN A 89 -20.910 -4.657 0.151 1.00 5.29 O ATOM 421 CB GLN A 89 -19.901 -3.063 -2.618 1.00 3.40 C ATOM 422 CG GLN A 89 -20.982 -4.031 -3.091 1.00 3.28 C ATOM 423 CD GLN A 89 -20.442 -5.411 -3.441 1.00 3.90 C ATOM 424 OE1 GLN A 89 -19.230 -5.465 -3.982 1.00 4.41 O flip ATOM 425 NE2 GLN A 89 -21.115 -6.419 -3.231 1.00 4.33 N flip ATOM 0 H GLN A 89 -17.881 -2.181 -1.566 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.591 -2.322 -0.717 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -20.108 -2.077 -3.034 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -18.942 -3.385 -3.024 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -21.737 -4.131 -2.311 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -21.480 -3.611 -3.965 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -22.042 -6.336 -2.814 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -20.746 -7.338 -3.474 1.00 4.33 H new ATOM 434 N ALA A 90 -18.788 -5.067 -0.477 1.00 4.72 N ATOM 435 CA ALA A 90 -18.748 -6.401 0.110 1.00 5.90 C ATOM 436 C ALA A 90 -18.768 -6.348 1.637 1.00 6.49 C ATOM 437 O ALA A 90 -19.352 -7.214 2.286 1.00 7.58 O ATOM 438 CB ALA A 90 -17.511 -7.146 -0.375 1.00 6.16 C ATOM 0 H ALA A 90 -17.918 -4.780 -0.926 1.00 4.72 H new ATOM 0 HA ALA A 90 -19.642 -6.935 -0.212 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -17.489 -8.142 0.068 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -17.541 -7.233 -1.461 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -16.617 -6.597 -0.080 1.00 6.16 H new ATOM 444 N THR A 91 -18.139 -5.330 2.207 1.00 5.96 N ATOM 445 CA THR A 91 -18.078 -5.190 3.654 1.00 6.79 C ATOM 446 C THR A 91 -19.359 -4.578 4.216 1.00 7.26 C ATOM 447 O THR A 91 -19.685 -4.766 5.390 1.00 8.28 O ATOM 448 CB THR A 91 -16.872 -4.337 4.073 1.00 6.34 C ATOM 449 OG1 THR A 91 -16.864 -3.105 3.338 1.00 5.23 O ATOM 450 CG2 THR A 91 -15.574 -5.088 3.820 1.00 6.30 C ATOM 0 H THR A 91 -17.664 -4.590 1.690 1.00 5.96 H new ATOM 0 HA THR A 91 -17.967 -6.193 4.066 1.00 6.79 H new ATOM 0 HB THR A 91 -16.954 -4.124 5.139 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.459 -3.252 2.458 1.00 5.23 H new ATOM 0 HG21 THR A 91 -14.730 -4.468 4.123 1.00 6.30 H new ATOM 0 HG22 THR A 91 -15.570 -6.013 4.397 1.00 6.30 H new ATOM 0 HG23 THR A 91 -15.490 -5.322 2.759 1.00 6.30 H new ATOM 458 N GLY A 92 -20.076 -3.846 3.377 1.00 6.62 N ATOM 459 CA GLY A 92 -21.311 -3.224 3.808 1.00 7.16 C ATOM 460 C GLY A 92 -21.091 -1.821 4.332 1.00 7.11 C ATOM 461 O GLY A 92 -21.913 -1.294 5.078 1.00 7.79 O ATOM 0 H GLY A 92 -19.825 -3.671 2.404 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.011 -3.193 2.973 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -21.770 -3.833 4.586 1.00 7.16 H new ATOM 465 N GLY A 93 -19.984 -1.215 3.935 1.00 6.52 N ATOM 466 CA GLY A 93 -19.679 0.128 4.379 1.00 6.76 C ATOM 467 C GLY A 93 -18.736 0.147 5.566 1.00 7.35 C ATOM 468 O GLY A 93 -18.966 0.865 6.542 1.00 8.35 O ATOM 0 H GLY A 93 -19.290 -1.629 3.313 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.233 0.687 3.556 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.605 0.638 4.646 1.00 6.76 H new ATOM 472 N ASP A 94 -17.673 -0.646 5.489 1.00 6.83 N ATOM 473 CA ASP A 94 -16.692 -0.713 6.565 1.00 7.34 C ATOM 474 C ASP A 94 -15.289 -0.508 6.006 1.00 6.34 C ATOM 475 O ASP A 94 -14.877 -1.208 5.084 1.00 5.39 O ATOM 476 CB ASP A 94 -16.775 -2.059 7.288 1.00 8.06 C ATOM 477 CG ASP A 94 -16.117 -2.029 8.655 1.00 8.93 C ATOM 478 OD1 ASP A 94 -14.883 -1.858 8.731 1.00 9.06 O ATOM 479 OD2 ASP A 94 -16.835 -2.176 9.665 1.00 9.60 O ATOM 0 H ASP A 94 -17.469 -1.251 4.693 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.911 0.079 7.281 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.821 -2.344 7.399 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -16.299 -2.826 6.677 1.00 8.06 H new ATOM 484 N ILE A 95 -14.566 0.452 6.566 1.00 6.69 N ATOM 485 CA ILE A 95 -13.213 0.761 6.114 1.00 5.90 C ATOM 486 C ILE A 95 -12.213 -0.281 6.608 1.00 5.73 C ATOM 487 O ILE A 95 -11.403 -0.792 5.835 1.00 4.72 O ATOM 488 CB ILE A 95 -12.764 2.153 6.607 1.00 6.68 C ATOM 489 CG1 ILE A 95 -13.718 3.237 6.096 1.00 7.07 C ATOM 490 CG2 ILE A 95 -11.333 2.451 6.167 1.00 6.13 C ATOM 491 CD1 ILE A 95 -13.728 3.370 4.589 1.00 6.13 C ATOM 0 H ILE A 95 -14.894 1.033 7.337 1.00 6.69 H new ATOM 0 HA ILE A 95 -13.235 0.752 5.024 1.00 5.90 H new ATOM 0 HB ILE A 95 -12.791 2.152 7.697 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -14.728 3.013 6.440 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -13.437 4.194 6.536 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -11.040 3.437 6.526 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -10.661 1.699 6.581 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -11.275 2.429 5.079 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -14.425 4.156 4.298 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -12.727 3.625 4.240 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -14.039 2.425 4.142 1.00 6.13 H new ATOM 503 N GLN A 96 -12.281 -0.602 7.894 1.00 6.84 N ATOM 504 CA GLN A 96 -11.371 -1.570 8.493 1.00 7.04 C ATOM 505 C GLN A 96 -11.514 -2.935 7.838 1.00 6.72 C ATOM 506 O GLN A 96 -10.518 -3.567 7.477 1.00 6.21 O ATOM 507 CB GLN A 96 -11.619 -1.677 9.996 1.00 8.47 C ATOM 508 CG GLN A 96 -11.114 -0.478 10.776 1.00 8.96 C ATOM 509 CD GLN A 96 -11.034 -0.746 12.262 1.00 9.42 C ATOM 510 OE1 GLN A 96 -11.960 -0.442 13.015 1.00 9.63 O ATOM 511 NE2 GLN A 96 -9.928 -1.327 12.689 1.00 9.81 N ATOM 0 H GLN A 96 -12.959 -0.205 8.544 1.00 6.84 H new ATOM 0 HA GLN A 96 -10.352 -1.219 8.328 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -12.688 -1.792 10.173 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -11.134 -2.577 10.374 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -10.127 -0.198 10.407 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -11.774 0.371 10.598 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -9.187 -1.561 12.028 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -9.815 -1.542 13.680 1.00 9.81 H new ATOM 520 N ALA A 97 -12.750 -3.383 7.669 1.00 7.19 N ATOM 521 CA ALA A 97 -13.002 -4.672 7.045 1.00 7.30 C ATOM 522 C ALA A 97 -12.553 -4.653 5.587 1.00 6.10 C ATOM 523 O ALA A 97 -12.137 -5.674 5.041 1.00 6.26 O ATOM 524 CB ALA A 97 -14.474 -5.046 7.156 1.00 8.11 C ATOM 0 H ALA A 97 -13.588 -2.876 7.953 1.00 7.19 H new ATOM 0 HA ALA A 97 -12.423 -5.430 7.572 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.640 -6.014 6.683 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -14.757 -5.103 8.207 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -15.080 -4.290 6.658 1.00 8.11 H new ATOM 530 N ALA A 98 -12.623 -3.479 4.965 1.00 5.11 N ATOM 531 CA ALA A 98 -12.213 -3.323 3.575 1.00 3.96 C ATOM 532 C ALA A 98 -10.704 -3.474 3.446 1.00 3.50 C ATOM 533 O ALA A 98 -10.210 -4.033 2.466 1.00 3.58 O ATOM 534 CB ALA A 98 -12.656 -1.975 3.030 1.00 3.13 C ATOM 0 H ALA A 98 -12.960 -2.622 5.403 1.00 5.11 H new ATOM 0 HA ALA A 98 -12.694 -4.105 2.988 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -12.339 -1.881 1.991 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -13.742 -1.899 3.087 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.205 -1.178 3.621 1.00 3.13 H new ATOM 540 N LEU A 99 -9.983 -2.980 4.446 1.00 3.43 N ATOM 541 CA LEU A 99 -8.526 -3.066 4.468 1.00 3.02 C ATOM 542 C LEU A 99 -8.092 -4.523 4.368 1.00 3.99 C ATOM 543 O LEU A 99 -7.194 -4.870 3.600 1.00 3.99 O ATOM 544 CB LEU A 99 -7.978 -2.446 5.757 1.00 3.22 C ATOM 545 CG LEU A 99 -7.397 -1.035 5.622 1.00 2.80 C ATOM 546 CD1 LEU A 99 -8.364 -0.109 4.898 1.00 3.12 C ATOM 547 CD2 LEU A 99 -7.059 -0.475 6.996 1.00 2.72 C ATOM 0 H LEU A 99 -10.386 -2.512 5.258 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.128 -2.514 3.616 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.780 -2.420 6.495 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -7.202 -3.102 6.152 1.00 3.22 H new ATOM 0 HG LEU A 99 -6.485 -1.099 5.029 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -7.924 0.885 4.817 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -8.564 -0.500 3.900 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -9.298 -0.048 5.457 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -6.647 0.528 6.889 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -7.963 -0.433 7.604 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -6.325 -1.119 7.481 1.00 2.72 H new ATOM 559 N GLU A 100 -8.757 -5.374 5.141 1.00 5.11 N ATOM 560 CA GLU A 100 -8.462 -6.798 5.145 1.00 6.25 C ATOM 561 C GLU A 100 -9.009 -7.457 3.885 1.00 6.58 C ATOM 562 O GLU A 100 -8.432 -8.420 3.378 1.00 7.26 O ATOM 563 CB GLU A 100 -9.052 -7.457 6.392 1.00 7.44 C ATOM 564 CG GLU A 100 -8.118 -7.422 7.589 1.00 7.73 C ATOM 565 CD GLU A 100 -6.967 -8.390 7.439 1.00 8.52 C ATOM 566 OE1 GLU A 100 -6.024 -8.089 6.679 1.00 8.88 O ATOM 567 OE2 GLU A 100 -7.012 -9.473 8.061 1.00 8.97 O ATOM 0 H GLU A 100 -9.507 -5.099 5.775 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.380 -6.930 5.161 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -9.984 -6.956 6.653 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -9.300 -8.494 6.164 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -7.728 -6.412 7.715 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -8.678 -7.662 8.493 1.00 7.73 H new ATOM 574 N LEU A 101 -10.122 -6.924 3.387 1.00 6.27 N ATOM 575 CA LEU A 101 -10.762 -7.437 2.179 1.00 6.77 C ATOM 576 C LEU A 101 -9.815 -7.313 0.987 1.00 6.45 C ATOM 577 O LEU A 101 -9.581 -8.284 0.265 1.00 7.40 O ATOM 578 CB LEU A 101 -12.064 -6.660 1.908 1.00 6.50 C ATOM 579 CG LEU A 101 -13.210 -7.444 1.254 1.00 7.42 C ATOM 580 CD1 LEU A 101 -12.853 -7.857 -0.166 1.00 8.33 C ATOM 581 CD2 LEU A 101 -13.579 -8.659 2.094 1.00 8.03 C ATOM 0 H LEU A 101 -10.603 -6.129 3.807 1.00 6.27 H new ATOM 0 HA LEU A 101 -11.001 -8.490 2.324 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -12.424 -6.258 2.855 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -11.826 -5.809 1.270 1.00 6.50 H new ATOM 0 HG LEU A 101 -14.078 -6.787 1.202 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -13.684 -8.411 -0.604 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -12.654 -6.968 -0.764 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -11.965 -8.489 -0.149 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.393 -9.201 1.612 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -12.713 -9.314 2.187 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -13.896 -8.334 3.085 1.00 8.03 H new ATOM 593 N ILE A 102 -9.265 -6.118 0.804 1.00 5.30 N ATOM 594 CA ILE A 102 -8.339 -5.851 -0.292 1.00 5.26 C ATOM 595 C ILE A 102 -7.070 -6.688 -0.145 1.00 5.93 C ATOM 596 O ILE A 102 -6.586 -7.275 -1.114 1.00 6.78 O ATOM 597 CB ILE A 102 -7.953 -4.355 -0.352 1.00 4.06 C ATOM 598 CG1 ILE A 102 -9.204 -3.484 -0.489 1.00 3.48 C ATOM 599 CG2 ILE A 102 -6.993 -4.091 -1.508 1.00 4.62 C ATOM 600 CD1 ILE A 102 -8.931 -2.003 -0.327 1.00 2.57 C ATOM 0 H ILE A 102 -9.446 -5.313 1.404 1.00 5.30 H new ATOM 0 HA ILE A 102 -8.849 -6.122 -1.216 1.00 5.26 H new ATOM 0 HB ILE A 102 -7.449 -4.095 0.579 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -9.652 -3.658 -1.467 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -9.936 -3.794 0.257 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -6.734 -3.032 -1.532 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -6.088 -4.683 -1.372 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -7.470 -4.369 -2.448 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -9.862 -1.447 -0.436 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -8.511 -1.816 0.661 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.223 -1.678 -1.089 1.00 2.57 H new ATOM 612 N PHE A 103 -6.557 -6.757 1.081 1.00 5.72 N ATOM 613 CA PHE A 103 -5.341 -7.512 1.370 1.00 6.33 C ATOM 614 C PHE A 103 -5.541 -9.003 1.113 1.00 7.75 C ATOM 615 O PHE A 103 -4.623 -9.697 0.676 1.00 8.49 O ATOM 616 CB PHE A 103 -4.916 -7.283 2.824 1.00 5.96 C ATOM 617 CG PHE A 103 -3.478 -7.631 3.099 1.00 6.06 C ATOM 618 CD1 PHE A 103 -2.471 -6.712 2.860 1.00 6.20 C ATOM 619 CD2 PHE A 103 -3.136 -8.877 3.597 1.00 6.17 C ATOM 620 CE1 PHE A 103 -1.151 -7.028 3.116 1.00 6.41 C ATOM 621 CE2 PHE A 103 -1.818 -9.200 3.853 1.00 6.39 C ATOM 622 CZ PHE A 103 -0.824 -8.275 3.612 1.00 6.50 C ATOM 0 H PHE A 103 -6.967 -6.297 1.894 1.00 5.72 H new ATOM 0 HA PHE A 103 -4.555 -7.157 0.703 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -5.082 -6.237 3.081 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -5.555 -7.877 3.477 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -2.720 -5.737 2.469 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -3.910 -9.606 3.788 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.375 -6.301 2.928 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -1.566 -10.176 4.241 1.00 6.39 H new ATOM 0 HZ PHE A 103 0.208 -8.525 3.811 1.00 6.50 H new ATOM 632 N ALA A 104 -6.740 -9.496 1.393 1.00 8.21 N ATOM 633 CA ALA A 104 -7.053 -10.902 1.189 1.00 9.59 C ATOM 634 C ALA A 104 -7.380 -11.180 -0.274 1.00 10.06 C ATOM 635 O ALA A 104 -7.044 -12.239 -0.805 1.00 10.71 O ATOM 636 CB ALA A 104 -8.213 -11.324 2.077 1.00 10.13 C ATOM 0 H ALA A 104 -7.512 -8.941 1.763 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.174 -11.486 1.460 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -8.433 -12.379 1.911 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -7.946 -11.169 3.122 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.092 -10.727 1.835 1.00 10.13 H new ATOM 642 N GLY A 105 -8.043 -10.227 -0.915 1.00 9.88 N ATOM 643 CA GLY A 105 -8.413 -10.381 -2.307 1.00 10.43 C ATOM 644 C GLY A 105 -9.556 -11.353 -2.487 1.00 10.44 C ATOM 645 O GLY A 105 -9.663 -12.018 -3.519 1.00 11.29 O ATOM 0 H GLY A 105 -8.332 -9.345 -0.492 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -8.695 -9.411 -2.716 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -7.550 -10.728 -2.875 1.00 10.43 H new ATOM 649 N GLY A 106 -10.408 -11.432 -1.480 1.00 9.61 N ATOM 650 CA GLY A 106 -11.540 -12.328 -1.530 1.00 9.65 C ATOM 651 C GLY A 106 -12.789 -11.686 -0.978 1.00 9.16 C ATOM 652 O GLY A 106 -12.790 -11.186 0.148 1.00 8.46 O ATOM 0 H GLY A 106 -10.334 -10.886 -0.621 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -11.715 -12.635 -2.561 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -11.314 -13.231 -0.962 1.00 9.65 H new ATOM 656 N ALA A 107 -13.848 -11.693 -1.769 1.00 9.69 N ATOM 657 CA ALA A 107 -15.109 -11.101 -1.358 1.00 9.44 C ATOM 658 C ALA A 107 -16.169 -12.174 -1.194 1.00 10.28 C ATOM 659 O ALA A 107 -16.331 -13.029 -2.067 1.00 11.13 O ATOM 660 CB ALA A 107 -15.559 -10.057 -2.367 1.00 9.49 C ATOM 0 H ALA A 107 -13.859 -12.104 -2.703 1.00 9.69 H new ATOM 0 HA ALA A 107 -14.964 -10.610 -0.396 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -16.505 -9.623 -2.044 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -14.806 -9.272 -2.439 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -15.689 -10.526 -3.342 1.00 9.49 H new ATOM 666 N PRO A 108 -16.884 -12.164 -0.062 1.00 10.24 N ATOM 667 CA PRO A 108 -17.935 -13.137 0.210 1.00 11.19 C ATOM 668 C PRO A 108 -19.239 -12.787 -0.503 1.00 11.68 C ATOM 669 O PRO A 108 -20.225 -12.454 0.181 1.00 12.15 O ATOM 670 CB PRO A 108 -18.103 -13.045 1.727 1.00 11.08 C ATOM 671 CG PRO A 108 -17.740 -11.640 2.066 1.00 10.16 C ATOM 672 CD PRO A 108 -16.714 -11.206 1.050 1.00 9.48 C ATOM 673 OXT PRO A 108 -19.274 -12.835 -1.750 1.00 11.71 O ATOM 0 HA PRO A 108 -17.681 -14.136 -0.144 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -19.126 -13.272 2.026 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -17.455 -13.756 2.240 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -18.617 -10.994 2.032 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -17.336 -11.577 3.076 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -16.885 -10.180 0.723 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -15.705 -11.245 1.460 1.00 9.48 H new ATOM 682 N MET B 1 19.992 2.612 4.657 1.00 3.94 N ATOM 683 CA MET B 1 19.005 3.082 5.655 1.00 3.71 C ATOM 684 C MET B 1 17.904 2.046 5.835 1.00 3.30 C ATOM 685 O MET B 1 17.535 1.349 4.887 1.00 3.21 O ATOM 686 CB MET B 1 18.404 4.427 5.235 1.00 3.98 C ATOM 687 CG MET B 1 17.582 4.377 3.956 1.00 3.93 C ATOM 688 SD MET B 1 16.903 5.987 3.506 1.00 4.45 S ATOM 689 CE MET B 1 15.861 5.535 2.122 1.00 4.38 C ATOM 0 H1 MET B 1 20.410 3.430 4.170 1.00 3.94 H new ATOM 0 H2 MET B 1 20.742 2.075 5.137 1.00 3.94 H new ATOM 0 H3 MET B 1 19.518 2.000 3.962 1.00 3.94 H new ATOM 0 HA MET B 1 19.519 3.219 6.606 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.773 4.797 6.043 1.00 3.98 H new ATOM 0 HB3 MET B 1 19.212 5.147 5.105 1.00 3.98 H new ATOM 0 HG2 MET B 1 18.206 4.009 3.141 1.00 3.93 H new ATOM 0 HG3 MET B 1 16.767 3.664 4.080 1.00 3.93 H new ATOM 0 HE1 MET B 1 15.772 6.382 1.442 1.00 4.38 H new ATOM 0 HE2 MET B 1 16.304 4.691 1.594 1.00 4.38 H new ATOM 0 HE3 MET B 1 14.872 5.257 2.487 1.00 4.38 H new ATOM 701 N GLN B 2 17.383 1.946 7.049 1.00 3.23 N ATOM 702 CA GLN B 2 16.329 0.991 7.349 1.00 3.03 C ATOM 703 C GLN B 2 14.958 1.644 7.231 1.00 2.89 C ATOM 704 O GLN B 2 14.691 2.681 7.846 1.00 3.18 O ATOM 705 CB GLN B 2 16.518 0.413 8.753 1.00 3.32 C ATOM 706 CG GLN B 2 15.444 -0.588 9.151 1.00 3.40 C ATOM 707 CD GLN B 2 15.695 -1.198 10.514 1.00 3.92 C ATOM 708 OE1 GLN B 2 16.346 -2.235 10.630 1.00 4.23 O ATOM 709 NE2 GLN B 2 15.198 -0.551 11.557 1.00 4.19 N ATOM 0 H GLN B 2 17.674 2.516 7.843 1.00 3.23 H new ATOM 0 HA GLN B 2 16.388 0.180 6.623 1.00 3.03 H new ATOM 0 HB2 GLN B 2 17.493 -0.072 8.809 1.00 3.32 H new ATOM 0 HB3 GLN B 2 16.526 1.230 9.475 1.00 3.32 H new ATOM 0 HG2 GLN B 2 14.473 -0.093 9.152 1.00 3.40 H new ATOM 0 HG3 GLN B 2 15.397 -1.381 8.405 1.00 3.40 H new ATOM 0 HE21 GLN B 2 14.663 0.306 11.418 1.00 4.19 H new ATOM 0 HE22 GLN B 2 15.350 -0.910 12.500 1.00 4.19 H new ATOM 718 N ILE B 3 14.106 1.045 6.418 1.00 2.59 N ATOM 719 CA ILE B 3 12.757 1.547 6.220 1.00 2.46 C ATOM 720 C ILE B 3 11.743 0.568 6.792 1.00 2.37 C ATOM 721 O ILE B 3 12.047 -0.613 6.982 1.00 2.51 O ATOM 722 CB ILE B 3 12.443 1.790 4.728 1.00 2.36 C ATOM 723 CG1 ILE B 3 12.845 0.572 3.889 1.00 2.27 C ATOM 724 CG2 ILE B 3 13.150 3.045 4.230 1.00 2.82 C ATOM 725 CD1 ILE B 3 12.298 0.593 2.476 1.00 2.38 C ATOM 0 H ILE B 3 14.326 0.206 5.881 1.00 2.59 H new ATOM 0 HA ILE B 3 12.690 2.502 6.741 1.00 2.46 H new ATOM 0 HB ILE B 3 11.368 1.939 4.621 1.00 2.36 H new ATOM 0 HG12 ILE B 3 13.933 0.515 3.846 1.00 2.27 H new ATOM 0 HG13 ILE B 3 12.498 -0.332 4.389 1.00 2.27 H new ATOM 0 HG21 ILE B 3 12.917 3.200 3.177 1.00 2.82 H new ATOM 0 HG22 ILE B 3 12.812 3.906 4.807 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.227 2.928 4.350 1.00 2.82 H new ATOM 0 HD11 ILE B 3 12.626 -0.301 1.946 1.00 2.38 H new ATOM 0 HD12 ILE B 3 11.209 0.617 2.508 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.666 1.478 1.957 1.00 2.38 H new ATOM 737 N PHE B 4 10.549 1.060 7.079 1.00 2.37 N ATOM 738 CA PHE B 4 9.493 0.226 7.629 1.00 2.50 C ATOM 739 C PHE B 4 8.379 0.047 6.612 1.00 2.11 C ATOM 740 O PHE B 4 7.760 1.016 6.188 1.00 1.98 O ATOM 741 CB PHE B 4 8.928 0.847 8.910 1.00 3.07 C ATOM 742 CG PHE B 4 9.869 0.795 10.081 1.00 3.52 C ATOM 743 CD1 PHE B 4 9.938 -0.335 10.881 1.00 3.82 C ATOM 744 CD2 PHE B 4 10.683 1.874 10.382 1.00 3.79 C ATOM 745 CE1 PHE B 4 10.804 -0.385 11.957 1.00 4.25 C ATOM 746 CE2 PHE B 4 11.550 1.827 11.457 1.00 4.21 C ATOM 747 CZ PHE B 4 11.610 0.698 12.244 1.00 4.39 C ATOM 0 H PHE B 4 10.286 2.036 6.940 1.00 2.37 H new ATOM 0 HA PHE B 4 9.918 -0.749 7.868 1.00 2.50 H new ATOM 0 HB2 PHE B 4 8.667 1.887 8.713 1.00 3.07 H new ATOM 0 HB3 PHE B 4 8.005 0.331 9.175 1.00 3.07 H new ATOM 0 HD1 PHE B 4 9.309 -1.185 10.661 1.00 3.82 H new ATOM 0 HD2 PHE B 4 10.640 2.763 9.770 1.00 3.79 H new ATOM 0 HE1 PHE B 4 10.850 -1.271 12.573 1.00 4.25 H new ATOM 0 HE2 PHE B 4 12.180 2.675 11.680 1.00 4.21 H new ATOM 0 HZ PHE B 4 12.287 0.660 13.085 1.00 4.39 H new ATOM 757 N VAL B 5 8.141 -1.185 6.205 1.00 2.12 N ATOM 758 CA VAL B 5 7.092 -1.472 5.242 1.00 1.86 C ATOM 759 C VAL B 5 5.885 -2.066 5.958 1.00 2.31 C ATOM 760 O VAL B 5 5.887 -3.240 6.334 1.00 2.88 O ATOM 761 CB VAL B 5 7.578 -2.440 4.142 1.00 1.97 C ATOM 762 CG1 VAL B 5 6.551 -2.555 3.032 1.00 1.84 C ATOM 763 CG2 VAL B 5 8.923 -1.993 3.584 1.00 1.92 C ATOM 0 H VAL B 5 8.659 -2.004 6.525 1.00 2.12 H new ATOM 0 HA VAL B 5 6.812 -0.535 4.761 1.00 1.86 H new ATOM 0 HB VAL B 5 7.705 -3.425 4.592 1.00 1.97 H new ATOM 0 HG11 VAL B 5 6.916 -3.242 2.269 1.00 1.84 H new ATOM 0 HG12 VAL B 5 5.614 -2.932 3.441 1.00 1.84 H new ATOM 0 HG13 VAL B 5 6.385 -1.574 2.587 1.00 1.84 H new ATOM 0 HG21 VAL B 5 9.246 -2.690 2.811 1.00 1.92 H new ATOM 0 HG22 VAL B 5 8.826 -0.995 3.156 1.00 1.92 H new ATOM 0 HG23 VAL B 5 9.661 -1.974 4.386 1.00 1.92 H new ATOM 773 N LYS B 6 4.864 -1.248 6.159 1.00 2.22 N ATOM 774 CA LYS B 6 3.658 -1.683 6.846 1.00 2.75 C ATOM 775 C LYS B 6 2.549 -1.989 5.851 1.00 2.53 C ATOM 776 O LYS B 6 2.334 -1.245 4.898 1.00 2.01 O ATOM 777 CB LYS B 6 3.197 -0.612 7.836 1.00 3.10 C ATOM 778 CG LYS B 6 2.046 -1.055 8.724 1.00 3.77 C ATOM 779 CD LYS B 6 1.912 -0.164 9.946 1.00 4.23 C ATOM 780 CE LYS B 6 0.864 -0.701 10.905 1.00 4.92 C ATOM 781 NZ LYS B 6 0.860 0.021 12.203 1.00 5.45 N ATOM 0 H LYS B 6 4.847 -0.275 5.855 1.00 2.22 H new ATOM 0 HA LYS B 6 3.888 -2.596 7.394 1.00 2.75 H new ATOM 0 HB2 LYS B 6 4.040 -0.325 8.465 1.00 3.10 H new ATOM 0 HB3 LYS B 6 2.895 0.277 7.282 1.00 3.10 H new ATOM 0 HG2 LYS B 6 1.117 -1.035 8.154 1.00 3.77 H new ATOM 0 HG3 LYS B 6 2.205 -2.086 9.040 1.00 3.77 H new ATOM 0 HD2 LYS B 6 2.873 -0.094 10.455 1.00 4.23 H new ATOM 0 HD3 LYS B 6 1.642 0.845 9.636 1.00 4.23 H new ATOM 0 HE2 LYS B 6 -0.121 -0.620 10.445 1.00 4.92 H new ATOM 0 HE3 LYS B 6 1.047 -1.761 11.083 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 0.128 -0.382 12.822 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 1.790 -0.077 12.657 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 0.659 1.028 12.039 1.00 5.45 H new ATOM 795 N THR B 7 1.854 -3.088 6.081 1.00 3.04 N ATOM 796 CA THR B 7 0.766 -3.504 5.211 1.00 3.03 C ATOM 797 C THR B 7 -0.579 -2.997 5.736 1.00 3.25 C ATOM 798 O THR B 7 -0.628 -2.255 6.718 1.00 3.60 O ATOM 799 CB THR B 7 0.727 -5.036 5.092 1.00 3.68 C ATOM 800 OG1 THR B 7 0.801 -5.628 6.393 1.00 4.31 O ATOM 801 CG2 THR B 7 1.881 -5.540 4.240 1.00 3.69 C ATOM 0 H THR B 7 2.024 -3.713 6.869 1.00 3.04 H new ATOM 0 HA THR B 7 0.944 -3.072 4.226 1.00 3.03 H new ATOM 0 HB THR B 7 -0.211 -5.318 4.614 1.00 3.68 H new ATOM 0 HG1 THR B 7 1.696 -5.486 6.767 1.00 4.31 H new ATOM 0 HG21 THR B 7 1.834 -6.627 4.169 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.812 -5.108 3.242 1.00 3.69 H new ATOM 0 HG23 THR B 7 2.826 -5.247 4.697 1.00 3.69 H new ATOM 809 N LEU B 8 -1.665 -3.399 5.081 1.00 3.25 N ATOM 810 CA LEU B 8 -3.008 -2.985 5.485 1.00 3.52 C ATOM 811 C LEU B 8 -3.393 -3.589 6.831 1.00 4.35 C ATOM 812 O LEU B 8 -3.942 -2.905 7.694 1.00 4.72 O ATOM 813 CB LEU B 8 -4.030 -3.405 4.427 1.00 3.31 C ATOM 814 CG LEU B 8 -3.904 -2.697 3.076 1.00 2.62 C ATOM 815 CD1 LEU B 8 -4.772 -3.387 2.036 1.00 2.63 C ATOM 816 CD2 LEU B 8 -4.296 -1.232 3.206 1.00 2.72 C ATOM 0 H LEU B 8 -1.642 -4.012 4.266 1.00 3.25 H new ATOM 0 HA LEU B 8 -3.006 -1.899 5.582 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -3.940 -4.479 4.265 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -5.030 -3.225 4.821 1.00 3.31 H new ATOM 0 HG LEU B 8 -2.865 -2.749 2.752 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -4.673 -2.873 1.080 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -4.453 -4.423 1.926 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -5.814 -3.360 2.356 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -4.201 -0.743 2.237 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -5.328 -1.161 3.549 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.640 -0.742 3.926 1.00 2.72 H new ATOM 828 N THR B 9 -3.097 -4.873 7.002 1.00 4.73 N ATOM 829 CA THR B 9 -3.413 -5.582 8.237 1.00 5.55 C ATOM 830 C THR B 9 -2.637 -5.015 9.424 1.00 5.75 C ATOM 831 O THR B 9 -3.135 -4.988 10.549 1.00 6.45 O ATOM 832 CB THR B 9 -3.093 -7.080 8.097 1.00 5.98 C ATOM 833 OG1 THR B 9 -3.482 -7.537 6.794 1.00 5.57 O ATOM 834 CG2 THR B 9 -3.809 -7.895 9.162 1.00 6.63 C ATOM 0 H THR B 9 -2.636 -5.447 6.296 1.00 4.73 H new ATOM 0 HA THR B 9 -4.479 -5.449 8.420 1.00 5.55 H new ATOM 0 HB THR B 9 -2.019 -7.215 8.229 1.00 5.98 H new ATOM 0 HG1 THR B 9 -4.397 -7.885 6.829 1.00 5.57 H new ATOM 0 HG21 THR B 9 -3.564 -8.950 9.039 1.00 6.63 H new ATOM 0 HG22 THR B 9 -3.491 -7.562 10.150 1.00 6.63 H new ATOM 0 HG23 THR B 9 -4.886 -7.758 9.062 1.00 6.63 H new ATOM 842 N GLY B 10 -1.424 -4.551 9.165 1.00 5.22 N ATOM 843 CA GLY B 10 -0.600 -4.000 10.223 1.00 5.46 C ATOM 844 C GLY B 10 0.794 -4.583 10.216 1.00 5.45 C ATOM 845 O GLY B 10 1.717 -4.004 10.788 1.00 5.66 O ATOM 0 H GLY B 10 -0.994 -4.546 8.240 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -0.541 -2.917 10.110 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -1.070 -4.195 11.187 1.00 5.46 H new ATOM 849 N LYS B 11 0.935 -5.737 9.570 1.00 5.32 N ATOM 850 CA LYS B 11 2.220 -6.420 9.463 1.00 5.39 C ATOM 851 C LYS B 11 3.276 -5.482 8.887 1.00 4.77 C ATOM 852 O LYS B 11 3.130 -4.979 7.769 1.00 4.21 O ATOM 853 CB LYS B 11 2.072 -7.667 8.581 1.00 5.58 C ATOM 854 CG LYS B 11 3.390 -8.335 8.209 1.00 5.83 C ATOM 855 CD LYS B 11 3.613 -8.331 6.701 1.00 6.11 C ATOM 856 CE LYS B 11 2.603 -9.210 5.974 1.00 6.82 C ATOM 857 NZ LYS B 11 2.952 -10.650 6.069 1.00 6.90 N ATOM 0 H LYS B 11 0.166 -6.223 9.108 1.00 5.32 H new ATOM 0 HA LYS B 11 2.542 -6.726 10.458 1.00 5.39 H new ATOM 0 HB2 LYS B 11 1.445 -8.392 9.100 1.00 5.58 H new ATOM 0 HB3 LYS B 11 1.548 -7.390 7.666 1.00 5.58 H new ATOM 0 HG2 LYS B 11 4.213 -7.817 8.701 1.00 5.83 H new ATOM 0 HG3 LYS B 11 3.395 -9.361 8.576 1.00 5.83 H new ATOM 0 HD2 LYS B 11 3.541 -7.310 6.326 1.00 6.11 H new ATOM 0 HD3 LYS B 11 4.622 -8.681 6.482 1.00 6.11 H new ATOM 0 HE2 LYS B 11 1.611 -9.048 6.396 1.00 6.82 H new ATOM 0 HE3 LYS B 11 2.555 -8.917 4.925 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 2.142 -11.225 5.760 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 3.771 -10.850 5.459 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 3.188 -10.886 7.054 1.00 6.90 H new ATOM 871 N THR B 12 4.321 -5.236 9.663 1.00 4.90 N ATOM 872 CA THR B 12 5.395 -4.354 9.245 1.00 4.39 C ATOM 873 C THR B 12 6.713 -5.114 9.143 1.00 4.49 C ATOM 874 O THR B 12 7.112 -5.815 10.074 1.00 5.01 O ATOM 875 CB THR B 12 5.569 -3.182 10.232 1.00 4.56 C ATOM 876 OG1 THR B 12 4.285 -2.668 10.617 1.00 4.81 O ATOM 877 CG2 THR B 12 6.400 -2.073 9.606 1.00 4.02 C ATOM 0 H THR B 12 4.446 -5.639 10.592 1.00 4.90 H new ATOM 0 HA THR B 12 5.125 -3.960 8.265 1.00 4.39 H new ATOM 0 HB THR B 12 6.089 -3.551 11.116 1.00 4.56 H new ATOM 0 HG1 THR B 12 4.405 -1.925 11.245 1.00 4.81 H new ATOM 0 HG21 THR B 12 6.511 -1.255 10.318 1.00 4.02 H new ATOM 0 HG22 THR B 12 7.384 -2.461 9.342 1.00 4.02 H new ATOM 0 HG23 THR B 12 5.901 -1.707 8.709 1.00 4.02 H new ATOM 885 N ILE B 13 7.369 -4.994 8.000 1.00 4.04 N ATOM 886 CA ILE B 13 8.649 -5.646 7.782 1.00 4.20 C ATOM 887 C ILE B 13 9.748 -4.597 7.684 1.00 3.72 C ATOM 888 O ILE B 13 9.481 -3.435 7.363 1.00 3.18 O ATOM 889 CB ILE B 13 8.647 -6.518 6.506 1.00 4.30 C ATOM 890 CG1 ILE B 13 8.340 -5.672 5.268 1.00 3.68 C ATOM 891 CG2 ILE B 13 7.640 -7.651 6.643 1.00 4.88 C ATOM 892 CD1 ILE B 13 8.521 -6.418 3.963 1.00 3.94 C ATOM 0 H ILE B 13 7.034 -4.448 7.206 1.00 4.04 H new ATOM 0 HA ILE B 13 8.833 -6.304 8.631 1.00 4.20 H new ATOM 0 HB ILE B 13 9.641 -6.948 6.383 1.00 4.30 H new ATOM 0 HG12 ILE B 13 7.314 -5.311 5.331 1.00 3.68 H new ATOM 0 HG13 ILE B 13 8.987 -4.795 5.268 1.00 3.68 H new ATOM 0 HG21 ILE B 13 7.649 -8.257 5.737 1.00 4.88 H new ATOM 0 HG22 ILE B 13 7.906 -8.272 7.498 1.00 4.88 H new ATOM 0 HG23 ILE B 13 6.643 -7.236 6.792 1.00 4.88 H new ATOM 0 HD11 ILE B 13 8.286 -5.756 3.130 1.00 3.94 H new ATOM 0 HD12 ILE B 13 9.554 -6.756 3.877 1.00 3.94 H new ATOM 0 HD13 ILE B 13 7.854 -7.280 3.941 1.00 3.94 H new ATOM 904 N THR B 14 10.977 -4.996 7.962 1.00 3.98 N ATOM 905 CA THR B 14 12.097 -4.076 7.906 1.00 3.64 C ATOM 906 C THR B 14 12.984 -4.387 6.708 1.00 3.52 C ATOM 907 O THR B 14 13.100 -5.544 6.292 1.00 3.96 O ATOM 908 CB THR B 14 12.928 -4.138 9.199 1.00 4.07 C ATOM 909 OG1 THR B 14 12.985 -5.488 9.680 1.00 4.66 O ATOM 910 CG2 THR B 14 12.332 -3.238 10.271 1.00 4.07 C ATOM 0 H THR B 14 11.223 -5.949 8.228 1.00 3.98 H new ATOM 0 HA THR B 14 11.695 -3.068 7.800 1.00 3.64 H new ATOM 0 HB THR B 14 13.936 -3.789 8.974 1.00 4.07 H new ATOM 0 HG1 THR B 14 13.517 -5.520 10.502 1.00 4.66 H new ATOM 0 HG21 THR B 14 12.937 -3.299 11.175 1.00 4.07 H new ATOM 0 HG22 THR B 14 12.316 -2.208 9.914 1.00 4.07 H new ATOM 0 HG23 THR B 14 11.315 -3.561 10.493 1.00 4.07 H new ATOM 918 N LEU B 15 13.590 -3.357 6.141 1.00 3.09 N ATOM 919 CA LEU B 15 14.459 -3.527 4.991 1.00 3.19 C ATOM 920 C LEU B 15 15.575 -2.492 5.008 1.00 3.10 C ATOM 921 O LEU B 15 15.333 -1.308 5.252 1.00 2.80 O ATOM 922 CB LEU B 15 13.653 -3.404 3.696 1.00 3.02 C ATOM 923 CG LEU B 15 14.319 -4.006 2.458 1.00 3.52 C ATOM 924 CD1 LEU B 15 14.288 -5.527 2.519 1.00 4.02 C ATOM 925 CD2 LEU B 15 13.640 -3.508 1.194 1.00 3.47 C ATOM 0 H LEU B 15 13.495 -2.393 6.460 1.00 3.09 H new ATOM 0 HA LEU B 15 14.903 -4.521 5.039 1.00 3.19 H new ATOM 0 HB2 LEU B 15 12.687 -3.887 3.841 1.00 3.02 H new ATOM 0 HB3 LEU B 15 13.457 -2.349 3.507 1.00 3.02 H new ATOM 0 HG LEU B 15 15.361 -3.686 2.438 1.00 3.52 H new ATOM 0 HD11 LEU B 15 14.766 -5.937 1.629 1.00 4.02 H new ATOM 0 HD12 LEU B 15 14.821 -5.866 3.407 1.00 4.02 H new ATOM 0 HD13 LEU B 15 13.254 -5.868 2.564 1.00 4.02 H new ATOM 0 HD21 LEU B 15 14.127 -3.946 0.323 1.00 3.47 H new ATOM 0 HD22 LEU B 15 12.589 -3.798 1.207 1.00 3.47 H new ATOM 0 HD23 LEU B 15 13.716 -2.422 1.144 1.00 3.47 H new ATOM 937 N GLU B 16 16.795 -2.946 4.765 1.00 3.49 N ATOM 938 CA GLU B 16 17.953 -2.068 4.740 1.00 3.55 C ATOM 939 C GLU B 16 18.375 -1.815 3.298 1.00 3.81 C ATOM 940 O GLU B 16 19.021 -2.660 2.672 1.00 4.27 O ATOM 941 CB GLU B 16 19.112 -2.688 5.524 1.00 3.90 C ATOM 942 CG GLU B 16 18.765 -3.043 6.959 1.00 3.90 C ATOM 943 CD GLU B 16 19.775 -3.983 7.582 1.00 4.28 C ATOM 944 OE1 GLU B 16 20.073 -5.029 6.970 1.00 4.63 O ATOM 945 OE2 GLU B 16 20.281 -3.679 8.682 1.00 4.35 O ATOM 0 H GLU B 16 17.009 -3.926 4.581 1.00 3.49 H new ATOM 0 HA GLU B 16 17.686 -1.121 5.208 1.00 3.55 H new ATOM 0 HB2 GLU B 16 19.446 -3.588 5.008 1.00 3.90 H new ATOM 0 HB3 GLU B 16 19.950 -1.992 5.525 1.00 3.90 H new ATOM 0 HG2 GLU B 16 18.708 -2.130 7.552 1.00 3.90 H new ATOM 0 HG3 GLU B 16 17.778 -3.504 6.988 1.00 3.90 H new ATOM 952 N VAL B 17 17.996 -0.662 2.775 1.00 3.69 N ATOM 953 CA VAL B 17 18.321 -0.300 1.401 1.00 4.13 C ATOM 954 C VAL B 17 18.884 1.110 1.326 1.00 4.32 C ATOM 955 O VAL B 17 18.870 1.850 2.311 1.00 4.09 O ATOM 956 CB VAL B 17 17.086 -0.390 0.477 1.00 4.08 C ATOM 957 CG1 VAL B 17 16.926 -1.798 -0.071 1.00 4.20 C ATOM 958 CG2 VAL B 17 15.827 0.041 1.218 1.00 3.58 C ATOM 0 H VAL B 17 17.461 0.044 3.281 1.00 3.69 H new ATOM 0 HA VAL B 17 19.071 -1.014 1.061 1.00 4.13 H new ATOM 0 HB VAL B 17 17.240 0.289 -0.362 1.00 4.08 H new ATOM 0 HG11 VAL B 17 16.050 -1.839 -0.719 1.00 4.20 H new ATOM 0 HG12 VAL B 17 17.814 -2.069 -0.643 1.00 4.20 H new ATOM 0 HG13 VAL B 17 16.799 -2.498 0.755 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.969 -0.030 0.549 1.00 3.58 H new ATOM 0 HG22 VAL B 17 15.671 -0.609 2.079 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.939 1.071 1.557 1.00 3.58 H new ATOM 968 N GLU B 18 19.371 1.474 0.153 1.00 4.88 N ATOM 969 CA GLU B 18 19.933 2.793 -0.069 1.00 5.24 C ATOM 970 C GLU B 18 18.896 3.683 -0.738 1.00 5.46 C ATOM 971 O GLU B 18 18.036 3.187 -1.457 1.00 5.46 O ATOM 972 CB GLU B 18 21.181 2.692 -0.949 1.00 5.81 C ATOM 973 CG GLU B 18 22.333 1.952 -0.293 1.00 5.71 C ATOM 974 CD GLU B 18 22.868 2.669 0.929 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.710 3.906 1.017 1.00 5.63 O ATOM 976 OE2 GLU B 18 23.456 2.001 1.807 1.00 5.09 O ATOM 0 H GLU B 18 19.388 0.868 -0.667 1.00 4.88 H new ATOM 0 HA GLU B 18 20.215 3.227 0.890 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.919 2.187 -1.879 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.510 3.697 -1.214 1.00 5.81 H new ATOM 0 HG2 GLU B 18 22.002 0.953 -0.008 1.00 5.71 H new ATOM 0 HG3 GLU B 18 23.138 1.826 -1.017 1.00 5.71 H new ATOM 983 N PRO B 19 18.955 5.007 -0.517 1.00 5.75 N ATOM 984 CA PRO B 19 18.009 5.954 -1.123 1.00 6.08 C ATOM 985 C PRO B 19 18.059 5.922 -2.650 1.00 6.61 C ATOM 986 O PRO B 19 17.094 6.285 -3.327 1.00 6.79 O ATOM 987 CB PRO B 19 18.473 7.321 -0.603 1.00 6.47 C ATOM 988 CG PRO B 19 19.279 7.014 0.612 1.00 6.13 C ATOM 989 CD PRO B 19 19.927 5.688 0.353 1.00 5.84 C ATOM 0 HA PRO B 19 16.978 5.716 -0.862 1.00 6.08 H new ATOM 0 HB2 PRO B 19 19.068 7.847 -1.350 1.00 6.47 H new ATOM 0 HB3 PRO B 19 17.624 7.962 -0.363 1.00 6.47 H new ATOM 0 HG2 PRO B 19 20.028 7.786 0.789 1.00 6.13 H new ATOM 0 HG3 PRO B 19 18.647 6.973 1.499 1.00 6.13 H new ATOM 0 HD2 PRO B 19 20.895 5.801 -0.135 1.00 5.84 H new ATOM 0 HD3 PRO B 19 20.098 5.135 1.277 1.00 5.84 H new ATOM 997 N SER B 20 19.187 5.468 -3.182 1.00 6.88 N ATOM 998 CA SER B 20 19.386 5.383 -4.622 1.00 7.46 C ATOM 999 C SER B 20 18.755 4.115 -5.200 1.00 7.30 C ATOM 1000 O SER B 20 18.744 3.920 -6.416 1.00 7.78 O ATOM 1001 CB SER B 20 20.883 5.409 -4.927 1.00 7.90 C ATOM 1002 OG SER B 20 21.594 6.085 -3.900 1.00 7.58 O ATOM 0 H SER B 20 19.984 5.150 -2.631 1.00 6.88 H new ATOM 0 HA SER B 20 18.897 6.238 -5.089 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.257 4.390 -5.024 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.056 5.905 -5.882 1.00 7.90 H new ATOM 0 HG SER B 20 22.551 6.089 -4.113 1.00 7.58 H new ATOM 1008 N ASP B 21 18.233 3.257 -4.330 1.00 6.67 N ATOM 1009 CA ASP B 21 17.612 2.014 -4.770 1.00 6.54 C ATOM 1010 C ASP B 21 16.246 2.290 -5.381 1.00 6.58 C ATOM 1011 O ASP B 21 15.484 3.122 -4.877 1.00 6.35 O ATOM 1012 CB ASP B 21 17.473 1.023 -3.609 1.00 5.90 C ATOM 1013 CG ASP B 21 18.562 -0.031 -3.611 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.489 -0.971 -4.435 1.00 6.52 O ATOM 1015 OD2 ASP B 21 19.501 0.071 -2.791 1.00 5.79 O ATOM 0 H ASP B 21 18.228 3.399 -3.320 1.00 6.67 H new ATOM 0 HA ASP B 21 18.258 1.568 -5.526 1.00 6.54 H new ATOM 0 HB2 ASP B 21 17.501 1.568 -2.665 1.00 5.90 H new ATOM 0 HB3 ASP B 21 16.500 0.535 -3.667 1.00 5.90 H new ATOM 1020 N THR B 22 15.951 1.610 -6.476 1.00 6.93 N ATOM 1021 CA THR B 22 14.680 1.773 -7.154 1.00 7.01 C ATOM 1022 C THR B 22 13.579 1.028 -6.415 1.00 6.40 C ATOM 1023 O THR B 22 13.832 -0.006 -5.790 1.00 6.11 O ATOM 1024 CB THR B 22 14.759 1.258 -8.602 1.00 7.68 C ATOM 1025 OG1 THR B 22 15.873 0.361 -8.738 1.00 7.91 O ATOM 1026 CG2 THR B 22 14.904 2.415 -9.578 1.00 8.28 C ATOM 0 H THR B 22 16.579 0.937 -6.915 1.00 6.93 H new ATOM 0 HA THR B 22 14.448 2.838 -7.168 1.00 7.01 H new ATOM 0 HB THR B 22 13.835 0.727 -8.832 1.00 7.68 H new ATOM 0 HG1 THR B 22 16.698 0.878 -8.852 1.00 7.91 H new ATOM 0 HG21 THR B 22 14.958 2.028 -10.596 1.00 8.28 H new ATOM 0 HG22 THR B 22 14.043 3.078 -9.487 1.00 8.28 H new ATOM 0 HG23 THR B 22 15.815 2.970 -9.352 1.00 8.28 H new ATOM 1034 N ILE B 23 12.358 1.548 -6.495 1.00 6.25 N ATOM 1035 CA ILE B 23 11.216 0.930 -5.835 1.00 5.69 C ATOM 1036 C ILE B 23 11.037 -0.508 -6.319 1.00 5.85 C ATOM 1037 O ILE B 23 10.612 -1.382 -5.565 1.00 5.45 O ATOM 1038 CB ILE B 23 9.923 1.738 -6.088 1.00 5.64 C ATOM 1039 CG1 ILE B 23 10.104 3.196 -5.644 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.734 1.106 -5.375 1.00 5.05 C ATOM 1041 CD1 ILE B 23 10.425 3.361 -4.173 1.00 5.05 C ATOM 0 H ILE B 23 12.135 2.398 -7.012 1.00 6.25 H new ATOM 0 HA ILE B 23 11.411 0.923 -4.763 1.00 5.69 H new ATOM 0 HB ILE B 23 9.720 1.724 -7.159 1.00 5.64 H new ATOM 0 HG12 ILE B 23 10.904 3.647 -6.232 1.00 5.64 H new ATOM 0 HG13 ILE B 23 9.192 3.749 -5.870 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.838 1.695 -5.570 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.588 0.090 -5.742 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.925 1.080 -4.302 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.537 4.420 -3.942 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.616 2.943 -3.575 1.00 5.05 H new ATOM 0 HD13 ILE B 23 11.354 2.839 -3.942 1.00 5.05 H new ATOM 1053 N GLU B 24 11.387 -0.745 -7.580 1.00 6.53 N ATOM 1054 CA GLU B 24 11.288 -2.074 -8.171 1.00 6.87 C ATOM 1055 C GLU B 24 12.161 -3.072 -7.410 1.00 6.77 C ATOM 1056 O GLU B 24 11.719 -4.177 -7.082 1.00 6.75 O ATOM 1057 CB GLU B 24 11.712 -2.025 -9.636 1.00 7.65 C ATOM 1058 CG GLU B 24 11.479 -3.326 -10.382 1.00 8.08 C ATOM 1059 CD GLU B 24 12.079 -3.301 -11.770 1.00 8.84 C ATOM 1060 OE1 GLU B 24 13.301 -3.511 -11.898 1.00 9.13 O ATOM 1061 OE2 GLU B 24 11.333 -3.065 -12.743 1.00 9.18 O ATOM 0 H GLU B 24 11.743 -0.030 -8.214 1.00 6.53 H new ATOM 0 HA GLU B 24 10.251 -2.403 -8.107 1.00 6.87 H new ATOM 0 HB2 GLU B 24 11.165 -1.226 -10.137 1.00 7.65 H new ATOM 0 HB3 GLU B 24 12.770 -1.770 -9.691 1.00 7.65 H new ATOM 0 HG2 GLU B 24 11.911 -4.151 -9.815 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.408 -3.515 -10.454 1.00 8.08 H new ATOM 1068 N ASN B 25 13.394 -2.668 -7.111 1.00 6.77 N ATOM 1069 CA ASN B 25 14.324 -3.528 -6.378 1.00 6.71 C ATOM 1070 C ASN B 25 13.803 -3.767 -4.969 1.00 6.02 C ATOM 1071 O ASN B 25 13.978 -4.847 -4.401 1.00 6.03 O ATOM 1072 CB ASN B 25 15.723 -2.905 -6.324 1.00 6.89 C ATOM 1073 CG ASN B 25 16.797 -3.924 -5.976 1.00 7.03 C ATOM 1074 OD1 ASN B 25 16.706 -5.095 -6.353 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.825 -3.489 -5.260 1.00 6.86 N ATOM 0 H ASN B 25 13.772 -1.755 -7.363 1.00 6.77 H new ATOM 0 HA ASN B 25 14.398 -4.481 -6.902 1.00 6.71 H new ATOM 0 HB2 ASN B 25 15.954 -2.452 -7.288 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.733 -2.104 -5.585 1.00 6.89 H new ATOM 0 HD21 ASN B 25 18.575 -4.130 -5.003 1.00 6.86 H new ATOM 0 HD22 ASN B 25 17.865 -2.513 -4.966 1.00 6.86 H new ATOM 1082 N VAL B 26 13.158 -2.748 -4.409 1.00 5.50 N ATOM 1083 CA VAL B 26 12.584 -2.848 -3.076 1.00 4.81 C ATOM 1084 C VAL B 26 11.496 -3.918 -3.070 1.00 4.82 C ATOM 1085 O VAL B 26 11.448 -4.763 -2.176 1.00 4.68 O ATOM 1086 CB VAL B 26 11.995 -1.497 -2.606 1.00 4.33 C ATOM 1087 CG1 VAL B 26 11.322 -1.634 -1.245 1.00 3.62 C ATOM 1088 CG2 VAL B 26 13.081 -0.433 -2.554 1.00 4.48 C ATOM 0 H VAL B 26 13.021 -1.844 -4.860 1.00 5.50 H new ATOM 0 HA VAL B 26 13.380 -3.122 -2.383 1.00 4.81 H new ATOM 0 HB VAL B 26 11.238 -1.191 -3.328 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.917 -0.669 -0.940 1.00 3.62 H new ATOM 0 HG12 VAL B 26 10.513 -2.362 -1.311 1.00 3.62 H new ATOM 0 HG13 VAL B 26 12.053 -1.969 -0.510 1.00 3.62 H new ATOM 0 HG21 VAL B 26 12.650 0.511 -2.222 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.860 -0.742 -1.857 1.00 4.48 H new ATOM 0 HG23 VAL B 26 13.513 -0.305 -3.547 1.00 4.48 H new ATOM 1098 N LYS B 27 10.648 -3.890 -4.097 1.00 5.10 N ATOM 1099 CA LYS B 27 9.569 -4.865 -4.233 1.00 5.22 C ATOM 1100 C LYS B 27 10.136 -6.277 -4.313 1.00 5.78 C ATOM 1101 O LYS B 27 9.615 -7.209 -3.692 1.00 5.83 O ATOM 1102 CB LYS B 27 8.742 -4.580 -5.487 1.00 5.53 C ATOM 1103 CG LYS B 27 7.909 -3.314 -5.403 1.00 5.06 C ATOM 1104 CD LYS B 27 7.036 -3.163 -6.633 1.00 5.45 C ATOM 1105 CE LYS B 27 6.080 -1.991 -6.504 1.00 5.06 C ATOM 1106 NZ LYS B 27 5.149 -1.920 -7.659 1.00 5.50 N ATOM 0 H LYS B 27 10.688 -3.201 -4.848 1.00 5.10 H new ATOM 0 HA LYS B 27 8.927 -4.783 -3.356 1.00 5.22 H new ATOM 0 HB2 LYS B 27 9.413 -4.505 -6.343 1.00 5.53 H new ATOM 0 HB3 LYS B 27 8.081 -5.426 -5.674 1.00 5.53 H new ATOM 0 HG2 LYS B 27 7.285 -3.342 -4.510 1.00 5.06 H new ATOM 0 HG3 LYS B 27 8.564 -2.448 -5.307 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.666 -3.023 -7.511 1.00 5.45 H new ATOM 0 HD3 LYS B 27 6.468 -4.080 -6.791 1.00 5.45 H new ATOM 0 HE2 LYS B 27 5.509 -2.085 -5.580 1.00 5.06 H new ATOM 0 HE3 LYS B 27 6.647 -1.063 -6.435 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 4.805 -0.945 -7.768 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 5.647 -2.210 -8.525 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.342 -2.555 -7.494 1.00 5.50 H new ATOM 1120 N ALA B 28 11.206 -6.422 -5.085 1.00 6.27 N ATOM 1121 CA ALA B 28 11.869 -7.706 -5.257 1.00 6.84 C ATOM 1122 C ALA B 28 12.424 -8.207 -3.929 1.00 6.63 C ATOM 1123 O ALA B 28 12.371 -9.402 -3.633 1.00 6.99 O ATOM 1124 CB ALA B 28 12.978 -7.586 -6.288 1.00 7.35 C ATOM 0 H ALA B 28 11.635 -5.657 -5.606 1.00 6.27 H new ATOM 0 HA ALA B 28 11.137 -8.431 -5.613 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.468 -8.552 -6.409 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.555 -7.271 -7.242 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.708 -6.849 -5.953 1.00 7.35 H new ATOM 1130 N LYS B 29 12.951 -7.286 -3.132 1.00 6.10 N ATOM 1131 CA LYS B 29 13.502 -7.632 -1.831 1.00 5.90 C ATOM 1132 C LYS B 29 12.385 -8.013 -0.864 1.00 5.68 C ATOM 1133 O LYS B 29 12.559 -8.880 -0.008 1.00 5.96 O ATOM 1134 CB LYS B 29 14.332 -6.473 -1.279 1.00 5.38 C ATOM 1135 CG LYS B 29 15.732 -6.417 -1.865 1.00 5.69 C ATOM 1136 CD LYS B 29 16.450 -5.129 -1.506 1.00 5.31 C ATOM 1137 CE LYS B 29 17.886 -5.140 -2.008 1.00 5.69 C ATOM 1138 NZ LYS B 29 18.754 -6.049 -1.209 1.00 5.63 N ATOM 0 H LYS B 29 13.008 -6.295 -3.365 1.00 6.10 H new ATOM 0 HA LYS B 29 14.158 -8.494 -1.947 1.00 5.90 H new ATOM 0 HB2 LYS B 29 13.819 -5.534 -1.487 1.00 5.38 H new ATOM 0 HB3 LYS B 29 14.401 -6.566 -0.195 1.00 5.38 H new ATOM 0 HG2 LYS B 29 16.310 -7.267 -1.503 1.00 5.69 H new ATOM 0 HG3 LYS B 29 15.675 -6.509 -2.950 1.00 5.69 H new ATOM 0 HD2 LYS B 29 15.918 -4.281 -1.937 1.00 5.31 H new ATOM 0 HD3 LYS B 29 16.441 -4.994 -0.424 1.00 5.31 H new ATOM 0 HE2 LYS B 29 17.902 -5.451 -3.053 1.00 5.69 H new ATOM 0 HE3 LYS B 29 18.290 -4.128 -1.970 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 19.746 -5.924 -1.497 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 18.656 -5.824 -0.199 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 18.468 -7.035 -1.373 1.00 5.63 H new ATOM 1152 N ILE B 30 11.234 -7.366 -1.007 1.00 5.27 N ATOM 1153 CA ILE B 30 10.083 -7.676 -0.170 1.00 5.11 C ATOM 1154 C ILE B 30 9.616 -9.096 -0.474 1.00 5.80 C ATOM 1155 O ILE B 30 9.314 -9.876 0.428 1.00 6.03 O ATOM 1156 CB ILE B 30 8.924 -6.674 -0.396 1.00 4.53 C ATOM 1157 CG1 ILE B 30 9.317 -5.289 0.130 1.00 3.87 C ATOM 1158 CG2 ILE B 30 7.642 -7.158 0.277 1.00 4.48 C ATOM 1159 CD1 ILE B 30 8.316 -4.199 -0.198 1.00 3.34 C ATOM 0 H ILE B 30 11.074 -6.627 -1.692 1.00 5.27 H new ATOM 0 HA ILE B 30 10.383 -7.595 0.875 1.00 5.11 H new ATOM 0 HB ILE B 30 8.734 -6.604 -1.467 1.00 4.53 H new ATOM 0 HG12 ILE B 30 9.438 -5.343 1.212 1.00 3.87 H new ATOM 0 HG13 ILE B 30 10.287 -5.015 -0.286 1.00 3.87 H new ATOM 0 HG21 ILE B 30 6.844 -6.436 0.103 1.00 4.48 H new ATOM 0 HG22 ILE B 30 7.355 -8.124 -0.139 1.00 4.48 H new ATOM 0 HG23 ILE B 30 7.810 -7.261 1.349 1.00 4.48 H new ATOM 0 HD11 ILE B 30 8.666 -3.250 0.208 1.00 3.34 H new ATOM 0 HD12 ILE B 30 8.211 -4.115 -1.280 1.00 3.34 H new ATOM 0 HD13 ILE B 30 7.350 -4.448 0.242 1.00 3.34 H new ATOM 1171 N GLN B 31 9.602 -9.433 -1.758 1.00 6.20 N ATOM 1172 CA GLN B 31 9.195 -10.759 -2.205 1.00 6.89 C ATOM 1173 C GLN B 31 10.229 -11.805 -1.784 1.00 7.42 C ATOM 1174 O GLN B 31 9.916 -12.985 -1.644 1.00 7.92 O ATOM 1175 CB GLN B 31 9.029 -10.776 -3.728 1.00 7.24 C ATOM 1176 CG GLN B 31 8.536 -12.106 -4.276 1.00 7.96 C ATOM 1177 CD GLN B 31 8.403 -12.107 -5.785 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.126 -11.400 -6.487 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.485 -12.910 -6.298 1.00 8.89 N ATOM 0 H GLN B 31 9.870 -8.801 -2.513 1.00 6.20 H new ATOM 0 HA GLN B 31 8.240 -11.002 -1.740 1.00 6.89 H new ATOM 0 HB2 GLN B 31 8.328 -9.992 -4.017 1.00 7.24 H new ATOM 0 HB3 GLN B 31 9.986 -10.535 -4.191 1.00 7.24 H new ATOM 0 HG2 GLN B 31 9.226 -12.895 -3.976 1.00 7.96 H new ATOM 0 HG3 GLN B 31 7.569 -12.341 -3.831 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.905 -13.481 -5.683 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.357 -12.958 -7.309 1.00 8.89 H new ATOM 1188 N ASP B 32 11.456 -11.353 -1.562 1.00 7.32 N ATOM 1189 CA ASP B 32 12.546 -12.242 -1.176 1.00 7.80 C ATOM 1190 C ASP B 32 12.367 -12.777 0.243 1.00 7.78 C ATOM 1191 O ASP B 32 12.768 -13.905 0.539 1.00 8.36 O ATOM 1192 CB ASP B 32 13.889 -11.519 -1.299 1.00 7.68 C ATOM 1193 CG ASP B 32 14.982 -12.419 -1.835 1.00 8.20 C ATOM 1194 OD1 ASP B 32 15.037 -12.620 -3.066 1.00 8.79 O ATOM 1195 OD2 ASP B 32 15.787 -12.935 -1.032 1.00 8.05 O ATOM 0 H ASP B 32 11.723 -10.372 -1.643 1.00 7.32 H new ATOM 0 HA ASP B 32 12.531 -13.094 -1.856 1.00 7.80 H new ATOM 0 HB2 ASP B 32 13.776 -10.658 -1.957 1.00 7.68 H new ATOM 0 HB3 ASP B 32 14.184 -11.137 -0.322 1.00 7.68 H new ATOM 1200 N LYS B 33 11.771 -11.977 1.120 1.00 7.19 N ATOM 1201 CA LYS B 33 11.564 -12.403 2.500 1.00 7.24 C ATOM 1202 C LYS B 33 10.095 -12.727 2.783 1.00 7.31 C ATOM 1203 O LYS B 33 9.797 -13.601 3.595 1.00 7.78 O ATOM 1204 CB LYS B 33 12.081 -11.349 3.488 1.00 6.67 C ATOM 1205 CG LYS B 33 11.432 -9.976 3.353 1.00 5.91 C ATOM 1206 CD LYS B 33 11.796 -9.075 4.528 1.00 5.41 C ATOM 1207 CE LYS B 33 13.279 -8.723 4.534 1.00 5.44 C ATOM 1208 NZ LYS B 33 13.730 -8.214 5.858 1.00 5.21 N ATOM 0 H LYS B 33 11.426 -11.041 0.905 1.00 7.19 H new ATOM 0 HA LYS B 33 12.138 -13.319 2.640 1.00 7.24 H new ATOM 0 HB2 LYS B 33 11.921 -11.713 4.503 1.00 6.67 H new ATOM 0 HB3 LYS B 33 13.157 -11.242 3.353 1.00 6.67 H new ATOM 0 HG2 LYS B 33 11.752 -9.510 2.421 1.00 5.91 H new ATOM 0 HG3 LYS B 33 10.349 -10.087 3.298 1.00 5.91 H new ATOM 0 HD2 LYS B 33 11.206 -8.160 4.481 1.00 5.41 H new ATOM 0 HD3 LYS B 33 11.537 -9.574 5.462 1.00 5.41 H new ATOM 0 HE2 LYS B 33 13.861 -9.605 4.268 1.00 5.44 H new ATOM 0 HE3 LYS B 33 13.475 -7.970 3.771 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 14.739 -8.430 5.987 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 13.587 -7.185 5.901 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 13.179 -8.672 6.612 1.00 5.21 H new ATOM 1222 N GLU B 34 9.186 -12.031 2.114 1.00 6.89 N ATOM 1223 CA GLU B 34 7.760 -12.264 2.307 1.00 6.93 C ATOM 1224 C GLU B 34 7.232 -13.254 1.278 1.00 7.47 C ATOM 1225 O GLU B 34 6.702 -14.304 1.627 1.00 7.85 O ATOM 1226 CB GLU B 34 6.984 -10.948 2.209 1.00 6.19 C ATOM 1227 CG GLU B 34 6.976 -10.148 3.499 1.00 5.76 C ATOM 1228 CD GLU B 34 6.257 -10.871 4.617 1.00 6.20 C ATOM 1229 OE1 GLU B 34 5.035 -11.091 4.500 1.00 6.35 O ATOM 1230 OE2 GLU B 34 6.913 -11.228 5.615 1.00 6.48 O ATOM 0 H GLU B 34 9.409 -11.303 1.435 1.00 6.89 H new ATOM 0 HA GLU B 34 7.618 -12.685 3.302 1.00 6.93 H new ATOM 0 HB2 GLU B 34 7.418 -10.339 1.416 1.00 6.19 H new ATOM 0 HB3 GLU B 34 5.956 -11.163 1.919 1.00 6.19 H new ATOM 0 HG2 GLU B 34 8.002 -9.942 3.803 1.00 5.76 H new ATOM 0 HG3 GLU B 34 6.496 -9.185 3.324 1.00 5.76 H new ATOM 1237 N GLY B 35 7.397 -12.916 0.008 1.00 7.55 N ATOM 1238 CA GLY B 35 6.925 -13.782 -1.056 1.00 8.09 C ATOM 1239 C GLY B 35 5.829 -13.127 -1.873 1.00 7.80 C ATOM 1240 O GLY B 35 5.329 -13.707 -2.836 1.00 8.21 O ATOM 0 H GLY B 35 7.849 -12.058 -0.306 1.00 7.55 H new ATOM 0 HA2 GLY B 35 7.758 -14.042 -1.709 1.00 8.09 H new ATOM 0 HA3 GLY B 35 6.552 -14.713 -0.628 1.00 8.09 H new ATOM 1244 N ILE B 36 5.460 -11.915 -1.481 1.00 7.10 N ATOM 1245 CA ILE B 36 4.421 -11.161 -2.170 1.00 6.77 C ATOM 1246 C ILE B 36 4.902 -10.708 -3.545 1.00 6.83 C ATOM 1247 O ILE B 36 5.909 -10.015 -3.650 1.00 6.60 O ATOM 1248 CB ILE B 36 4.005 -9.920 -1.352 1.00 5.99 C ATOM 1249 CG1 ILE B 36 3.623 -10.326 0.073 1.00 6.04 C ATOM 1250 CG2 ILE B 36 2.849 -9.196 -2.031 1.00 5.67 C ATOM 1251 CD1 ILE B 36 3.600 -9.173 1.052 1.00 5.35 C ATOM 0 H ILE B 36 5.869 -11.429 -0.683 1.00 7.10 H new ATOM 0 HA ILE B 36 3.562 -11.822 -2.285 1.00 6.77 H new ATOM 0 HB ILE B 36 4.853 -9.238 -1.301 1.00 5.99 H new ATOM 0 HG12 ILE B 36 2.639 -10.795 0.056 1.00 6.04 H new ATOM 0 HG13 ILE B 36 4.328 -11.078 0.428 1.00 6.04 H new ATOM 0 HG21 ILE B 36 2.569 -8.324 -1.440 1.00 5.67 H new ATOM 0 HG22 ILE B 36 3.155 -8.877 -3.027 1.00 5.67 H new ATOM 0 HG23 ILE B 36 1.995 -9.869 -2.112 1.00 5.67 H new ATOM 0 HD11 ILE B 36 3.321 -9.540 2.040 1.00 5.35 H new ATOM 0 HD12 ILE B 36 4.589 -8.717 1.100 1.00 5.35 H new ATOM 0 HD13 ILE B 36 2.874 -8.430 0.722 1.00 5.35 H new ATOM 1263 N PRO B 37 4.199 -11.112 -4.616 1.00 7.22 N ATOM 1264 CA PRO B 37 4.561 -10.727 -5.984 1.00 7.44 C ATOM 1265 C PRO B 37 4.575 -9.208 -6.166 1.00 6.84 C ATOM 1266 O PRO B 37 3.645 -8.521 -5.736 1.00 6.32 O ATOM 1267 CB PRO B 37 3.454 -11.351 -6.840 1.00 7.86 C ATOM 1268 CG PRO B 37 2.884 -12.444 -6.002 1.00 8.10 C ATOM 1269 CD PRO B 37 3.014 -11.986 -4.579 1.00 7.57 C ATOM 0 HA PRO B 37 5.563 -11.064 -6.250 1.00 7.44 H new ATOM 0 HB2 PRO B 37 2.693 -10.615 -7.098 1.00 7.86 H new ATOM 0 HB3 PRO B 37 3.852 -11.740 -7.777 1.00 7.86 H new ATOM 0 HG2 PRO B 37 1.841 -12.629 -6.259 1.00 8.10 H new ATOM 0 HG3 PRO B 37 3.422 -13.379 -6.162 1.00 8.10 H new ATOM 0 HD2 PRO B 37 2.126 -11.448 -4.246 1.00 7.57 H new ATOM 0 HD3 PRO B 37 3.153 -12.825 -3.897 1.00 7.57 H new ATOM 1277 N PRO B 38 5.629 -8.664 -6.807 1.00 6.95 N ATOM 1278 CA PRO B 38 5.771 -7.217 -7.041 1.00 6.54 C ATOM 1279 C PRO B 38 4.567 -6.618 -7.762 1.00 6.45 C ATOM 1280 O PRO B 38 4.246 -5.441 -7.590 1.00 5.97 O ATOM 1281 CB PRO B 38 7.017 -7.116 -7.923 1.00 7.04 C ATOM 1282 CG PRO B 38 7.794 -8.348 -7.625 1.00 7.43 C ATOM 1283 CD PRO B 38 6.774 -9.417 -7.350 1.00 7.57 C ATOM 0 HA PRO B 38 5.846 -6.665 -6.104 1.00 6.54 H new ATOM 0 HB2 PRO B 38 6.751 -7.062 -8.979 1.00 7.04 H new ATOM 0 HB3 PRO B 38 7.593 -6.220 -7.693 1.00 7.04 H new ATOM 0 HG2 PRO B 38 8.431 -8.622 -8.466 1.00 7.43 H new ATOM 0 HG3 PRO B 38 8.447 -8.200 -6.765 1.00 7.43 H new ATOM 0 HD2 PRO B 38 6.505 -9.959 -8.257 1.00 7.57 H new ATOM 0 HD3 PRO B 38 7.145 -10.153 -6.637 1.00 7.57 H new ATOM 1291 N ASP B 39 3.903 -7.446 -8.557 1.00 6.95 N ATOM 1292 CA ASP B 39 2.727 -7.028 -9.314 1.00 6.96 C ATOM 1293 C ASP B 39 1.573 -6.654 -8.385 1.00 6.32 C ATOM 1294 O ASP B 39 0.740 -5.813 -8.718 1.00 6.07 O ATOM 1295 CB ASP B 39 2.299 -8.154 -10.258 1.00 7.65 C ATOM 1296 CG ASP B 39 0.965 -7.895 -10.924 1.00 7.66 C ATOM 1297 OD1 ASP B 39 0.859 -6.918 -11.695 1.00 7.61 O ATOM 1298 OD2 ASP B 39 0.015 -8.669 -10.687 1.00 7.79 O ATOM 0 H ASP B 39 4.162 -8.423 -8.696 1.00 6.95 H new ATOM 0 HA ASP B 39 2.988 -6.143 -9.894 1.00 6.96 H new ATOM 0 HB2 ASP B 39 3.062 -8.287 -11.025 1.00 7.65 H new ATOM 0 HB3 ASP B 39 2.244 -9.088 -9.699 1.00 7.65 H new ATOM 1303 N GLN B 40 1.538 -7.266 -7.212 1.00 6.12 N ATOM 1304 CA GLN B 40 0.477 -7.002 -6.249 1.00 5.59 C ATOM 1305 C GLN B 40 0.955 -6.039 -5.168 1.00 4.88 C ATOM 1306 O GLN B 40 0.222 -5.723 -4.231 1.00 4.41 O ATOM 1307 CB GLN B 40 0.009 -8.314 -5.616 1.00 5.92 C ATOM 1308 CG GLN B 40 -0.512 -9.319 -6.630 1.00 6.60 C ATOM 1309 CD GLN B 40 -0.645 -10.719 -6.063 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -0.458 -11.707 -6.774 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -0.978 -10.816 -4.785 1.00 6.80 N ATOM 0 H GLN B 40 2.230 -7.948 -6.903 1.00 6.12 H new ATOM 0 HA GLN B 40 -0.359 -6.540 -6.774 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.838 -8.760 -5.066 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -0.776 -8.100 -4.891 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -1.484 -8.987 -6.996 1.00 6.60 H new ATOM 0 HG3 GLN B 40 0.160 -9.343 -7.488 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.124 -9.972 -4.231 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -1.089 -11.734 -4.355 1.00 6.80 H new ATOM 1320 N GLN B 41 2.180 -5.561 -5.314 1.00 4.86 N ATOM 1321 CA GLN B 41 2.757 -4.645 -4.345 1.00 4.24 C ATOM 1322 C GLN B 41 2.520 -3.197 -4.753 1.00 3.92 C ATOM 1323 O GLN B 41 3.154 -2.697 -5.681 1.00 4.35 O ATOM 1324 CB GLN B 41 4.263 -4.882 -4.212 1.00 4.48 C ATOM 1325 CG GLN B 41 4.645 -6.216 -3.595 1.00 4.79 C ATOM 1326 CD GLN B 41 6.119 -6.281 -3.259 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.730 -5.273 -2.920 1.00 4.46 O ATOM 1328 NE2 GLN B 41 6.706 -7.461 -3.358 1.00 5.46 N ATOM 0 H GLN B 41 2.794 -5.793 -6.095 1.00 4.86 H new ATOM 0 HA GLN B 41 2.270 -4.832 -3.388 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.716 -4.812 -5.201 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.691 -4.082 -3.607 1.00 4.48 H new ATOM 0 HG2 GLN B 41 4.059 -6.379 -2.690 1.00 4.79 H new ATOM 0 HG3 GLN B 41 4.394 -7.021 -4.286 1.00 4.79 H new ATOM 0 HE21 GLN B 41 6.165 -8.277 -3.643 1.00 5.46 H new ATOM 0 HE22 GLN B 41 7.700 -7.555 -3.149 1.00 5.46 H new ATOM 1337 N ARG B 42 1.592 -2.535 -4.084 1.00 3.29 N ATOM 1338 CA ARG B 42 1.319 -1.136 -4.367 1.00 3.09 C ATOM 1339 C ARG B 42 1.824 -0.292 -3.205 1.00 2.49 C ATOM 1340 O ARG B 42 1.073 0.036 -2.283 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.175 -0.894 -4.595 1.00 2.97 C ATOM 1342 CG ARG B 42 -0.470 0.403 -5.332 1.00 3.22 C ATOM 1343 CD ARG B 42 -1.906 0.857 -5.120 1.00 3.19 C ATOM 1344 NE ARG B 42 -2.111 1.431 -3.790 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.283 1.446 -3.153 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.369 0.949 -3.730 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.372 1.982 -1.942 1.00 3.59 N ATOM 0 H ARG B 42 1.018 -2.940 -3.345 1.00 3.29 H new ATOM 0 HA ARG B 42 1.836 -0.853 -5.284 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -0.588 -1.728 -5.162 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -0.685 -0.880 -3.632 1.00 2.97 H new ATOM 0 HG2 ARG B 42 0.212 1.180 -4.987 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.285 0.266 -6.397 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -2.168 1.596 -5.877 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -2.578 0.009 -5.256 1.00 3.19 H new ATOM 0 HE ARG B 42 -1.307 1.846 -3.320 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.312 0.551 -4.668 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.261 0.964 -3.236 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -2.545 2.382 -1.499 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -4.268 1.994 -1.454 1.00 3.59 H new ATOM 1361 N LEU B 43 3.111 0.024 -3.244 1.00 2.72 N ATOM 1362 CA LEU B 43 3.749 0.807 -2.196 1.00 2.34 C ATOM 1363 C LEU B 43 3.284 2.254 -2.234 1.00 2.51 C ATOM 1364 O LEU B 43 3.453 2.950 -3.238 1.00 3.16 O ATOM 1365 CB LEU B 43 5.269 0.742 -2.341 1.00 2.69 C ATOM 1366 CG LEU B 43 5.931 -0.497 -1.736 1.00 2.62 C ATOM 1367 CD1 LEU B 43 7.348 -0.655 -2.263 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.938 -0.399 -0.220 1.00 2.03 C ATOM 0 H LEU B 43 3.739 -0.253 -3.999 1.00 2.72 H new ATOM 0 HA LEU B 43 3.462 0.382 -1.234 1.00 2.34 H new ATOM 0 HB2 LEU B 43 5.519 0.786 -3.401 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.700 1.628 -1.875 1.00 2.69 H new ATOM 0 HG LEU B 43 5.356 -1.376 -2.028 1.00 2.62 H new ATOM 0 HD11 LEU B 43 7.804 -1.542 -1.822 1.00 3.19 H new ATOM 0 HD12 LEU B 43 7.323 -0.761 -3.348 1.00 3.19 H new ATOM 0 HD13 LEU B 43 7.935 0.224 -1.998 1.00 3.19 H new ATOM 0 HD21 LEU B 43 6.412 -1.286 0.200 1.00 2.03 H new ATOM 0 HD22 LEU B 43 6.494 0.488 0.085 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.913 -0.328 0.145 1.00 2.03 H new ATOM 1380 N ILE B 44 2.684 2.697 -1.143 1.00 2.10 N ATOM 1381 CA ILE B 44 2.193 4.058 -1.043 1.00 2.55 C ATOM 1382 C ILE B 44 2.860 4.803 0.105 1.00 2.73 C ATOM 1383 O ILE B 44 2.937 4.301 1.229 1.00 2.37 O ATOM 1384 CB ILE B 44 0.665 4.094 -0.826 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.066 3.339 -1.939 1.00 2.20 C ATOM 1386 CG2 ILE B 44 0.174 5.531 -0.744 1.00 3.04 C ATOM 1387 CD1 ILE B 44 0.107 3.950 -3.311 1.00 2.92 C ATOM 0 H ILE B 44 2.525 2.130 -0.310 1.00 2.10 H new ATOM 0 HA ILE B 44 2.437 4.545 -1.987 1.00 2.55 H new ATOM 0 HB ILE B 44 0.445 3.597 0.119 1.00 2.35 H new ATOM 0 HG12 ILE B 44 0.293 2.310 -1.963 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.129 3.301 -1.701 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -0.905 5.539 -0.591 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.662 6.035 0.090 1.00 3.04 H new ATOM 0 HG23 ILE B 44 0.412 6.050 -1.672 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.440 3.358 -4.045 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.279 4.969 -3.307 1.00 2.92 H new ATOM 0 HD13 ILE B 44 1.165 3.964 -3.572 1.00 2.92 H new ATOM 1399 N PHE B 45 3.341 5.996 -0.185 1.00 3.41 N ATOM 1400 CA PHE B 45 3.971 6.830 0.817 1.00 3.75 C ATOM 1401 C PHE B 45 3.059 8.014 1.100 1.00 4.37 C ATOM 1402 O PHE B 45 3.336 9.140 0.689 1.00 4.85 O ATOM 1403 CB PHE B 45 5.348 7.298 0.337 1.00 3.98 C ATOM 1404 CG PHE B 45 6.177 7.990 1.389 1.00 4.33 C ATOM 1405 CD1 PHE B 45 6.184 7.540 2.700 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.959 9.089 1.060 1.00 5.00 C ATOM 1407 CE1 PHE B 45 6.953 8.169 3.661 1.00 4.54 C ATOM 1408 CE2 PHE B 45 7.727 9.722 2.019 1.00 5.37 C ATOM 1409 CZ PHE B 45 7.724 9.263 3.320 1.00 5.14 C ATOM 0 H PHE B 45 3.306 6.412 -1.116 1.00 3.41 H new ATOM 0 HA PHE B 45 4.123 6.261 1.734 1.00 3.75 H new ATOM 0 HB2 PHE B 45 5.902 6.435 -0.034 1.00 3.98 H new ATOM 0 HB3 PHE B 45 5.213 7.977 -0.505 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.581 6.687 2.974 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.967 9.453 0.043 1.00 5.00 H new ATOM 0 HE1 PHE B 45 6.951 7.805 4.678 1.00 4.54 H new ATOM 0 HE2 PHE B 45 8.330 10.577 1.750 1.00 5.37 H new ATOM 0 HZ PHE B 45 8.323 9.758 4.070 1.00 5.14 H new ATOM 1419 N ALA B 46 1.941 7.726 1.767 1.00 4.47 N ATOM 1420 CA ALA B 46 0.943 8.736 2.116 1.00 5.11 C ATOM 1421 C ALA B 46 0.420 9.441 0.867 1.00 5.25 C ATOM 1422 O ALA B 46 0.858 10.543 0.525 1.00 5.80 O ATOM 1423 CB ALA B 46 1.511 9.742 3.110 1.00 5.68 C ATOM 0 H ALA B 46 1.702 6.785 2.080 1.00 4.47 H new ATOM 0 HA ALA B 46 0.104 8.229 2.592 1.00 5.11 H new ATOM 0 HB1 ALA B 46 0.749 10.483 3.354 1.00 5.68 H new ATOM 0 HB2 ALA B 46 1.816 9.223 4.019 1.00 5.68 H new ATOM 0 HB3 ALA B 46 2.374 10.241 2.670 1.00 5.68 H new ATOM 1429 N GLY B 47 -0.493 8.776 0.170 1.00 4.86 N ATOM 1430 CA GLY B 47 -1.071 9.333 -1.040 1.00 5.04 C ATOM 1431 C GLY B 47 -0.188 9.120 -2.254 1.00 5.20 C ATOM 1432 O GLY B 47 -0.646 8.628 -3.285 1.00 5.50 O ATOM 0 H GLY B 47 -0.846 7.853 0.423 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -2.045 8.876 -1.218 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -1.240 10.401 -0.900 1.00 5.04 H new ATOM 1436 N LYS B 48 1.082 9.474 -2.117 1.00 5.13 N ATOM 1437 CA LYS B 48 2.050 9.344 -3.197 1.00 5.44 C ATOM 1438 C LYS B 48 2.346 7.879 -3.509 1.00 4.89 C ATOM 1439 O LYS B 48 2.808 7.129 -2.645 1.00 4.41 O ATOM 1440 CB LYS B 48 3.346 10.066 -2.825 1.00 6.05 C ATOM 1441 CG LYS B 48 3.144 11.529 -2.462 1.00 6.75 C ATOM 1442 CD LYS B 48 4.391 12.132 -1.830 1.00 7.32 C ATOM 1443 CE LYS B 48 4.533 11.731 -0.368 1.00 7.40 C ATOM 1444 NZ LYS B 48 3.411 12.237 0.471 1.00 7.95 N ATOM 0 H LYS B 48 1.470 9.859 -1.256 1.00 5.13 H new ATOM 0 HA LYS B 48 1.620 9.799 -4.089 1.00 5.44 H new ATOM 0 HB2 LYS B 48 3.810 9.552 -1.983 1.00 6.05 H new ATOM 0 HB3 LYS B 48 4.042 10.000 -3.661 1.00 6.05 H new ATOM 0 HG2 LYS B 48 2.881 12.093 -3.357 1.00 6.75 H new ATOM 0 HG3 LYS B 48 2.306 11.620 -1.771 1.00 6.75 H new ATOM 0 HD2 LYS B 48 5.272 11.808 -2.383 1.00 7.32 H new ATOM 0 HD3 LYS B 48 4.349 13.218 -1.907 1.00 7.32 H new ATOM 0 HE2 LYS B 48 4.577 10.644 -0.295 1.00 7.40 H new ATOM 0 HE3 LYS B 48 5.476 12.115 0.021 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 3.728 12.325 1.458 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 3.108 13.168 0.120 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 2.613 11.572 0.422 1.00 7.95 H new ATOM 1458 N GLN B 49 2.074 7.479 -4.743 1.00 5.05 N ATOM 1459 CA GLN B 49 2.322 6.113 -5.180 1.00 4.73 C ATOM 1460 C GLN B 49 3.773 5.969 -5.616 1.00 5.12 C ATOM 1461 O GLN B 49 4.253 6.740 -6.447 1.00 5.81 O ATOM 1462 CB GLN B 49 1.382 5.749 -6.331 1.00 4.93 C ATOM 1463 CG GLN B 49 1.374 4.265 -6.679 1.00 4.85 C ATOM 1464 CD GLN B 49 0.346 3.911 -7.741 1.00 5.12 C ATOM 1465 OE1 GLN B 49 -0.750 4.655 -7.789 1.00 5.27 O flip ATOM 1466 NE2 GLN B 49 0.531 2.967 -8.509 1.00 5.36 N flip ATOM 0 H GLN B 49 1.679 8.085 -5.462 1.00 5.05 H new ATOM 0 HA GLN B 49 2.133 5.432 -4.350 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.369 6.056 -6.070 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.670 6.318 -7.215 1.00 4.93 H new ATOM 0 HG2 GLN B 49 2.365 3.974 -7.028 1.00 4.85 H new ATOM 0 HG3 GLN B 49 1.171 3.687 -5.777 1.00 4.85 H new ATOM 0 HE21 GLN B 49 1.387 2.416 -8.443 1.00 5.36 H new ATOM 0 HE22 GLN B 49 -0.172 2.736 -9.211 1.00 5.36 H new ATOM 1475 N LEU B 50 4.468 4.991 -5.056 1.00 4.71 N ATOM 1476 CA LEU B 50 5.870 4.772 -5.381 1.00 5.07 C ATOM 1477 C LEU B 50 6.020 4.046 -6.715 1.00 5.51 C ATOM 1478 O LEU B 50 5.691 2.864 -6.829 1.00 5.29 O ATOM 1479 CB LEU B 50 6.559 3.976 -4.268 1.00 4.53 C ATOM 1480 CG LEU B 50 6.404 4.547 -2.854 1.00 4.10 C ATOM 1481 CD1 LEU B 50 7.294 3.797 -1.874 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.733 6.029 -2.837 1.00 4.69 C ATOM 0 H LEU B 50 4.085 4.336 -4.374 1.00 4.71 H new ATOM 0 HA LEU B 50 6.349 5.747 -5.468 1.00 5.07 H new ATOM 0 HB2 LEU B 50 6.166 2.960 -4.275 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.622 3.908 -4.499 1.00 4.53 H new ATOM 0 HG LEU B 50 5.366 4.420 -2.547 1.00 4.10 H new ATOM 0 HD11 LEU B 50 7.170 4.217 -0.876 1.00 3.66 H new ATOM 0 HD12 LEU B 50 7.015 2.743 -1.862 1.00 3.66 H new ATOM 0 HD13 LEU B 50 8.335 3.893 -2.181 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.617 6.416 -1.825 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.761 6.177 -3.167 1.00 4.69 H new ATOM 0 HD23 LEU B 50 6.057 6.559 -3.508 1.00 4.69 H new ATOM 1494 N GLU B 51 6.502 4.766 -7.719 1.00 6.21 N ATOM 1495 CA GLU B 51 6.709 4.201 -9.044 1.00 6.75 C ATOM 1496 C GLU B 51 7.932 3.287 -9.048 1.00 6.81 C ATOM 1497 O GLU B 51 8.986 3.645 -8.528 1.00 6.81 O ATOM 1498 CB GLU B 51 6.872 5.318 -10.077 1.00 7.48 C ATOM 1499 CG GLU B 51 7.145 4.814 -11.484 1.00 8.08 C ATOM 1500 CD GLU B 51 6.889 5.869 -12.538 1.00 8.74 C ATOM 1501 OE1 GLU B 51 5.746 5.945 -13.035 1.00 9.03 O ATOM 1502 OE2 GLU B 51 7.825 6.622 -12.882 1.00 9.08 O ATOM 0 H GLU B 51 6.758 5.750 -7.639 1.00 6.21 H new ATOM 0 HA GLU B 51 5.834 3.607 -9.310 1.00 6.75 H new ATOM 0 HB2 GLU B 51 5.967 5.926 -10.088 1.00 7.48 H new ATOM 0 HB3 GLU B 51 7.690 5.969 -9.769 1.00 7.48 H new ATOM 0 HG2 GLU B 51 8.181 4.481 -11.552 1.00 8.08 H new ATOM 0 HG3 GLU B 51 6.517 3.946 -11.684 1.00 8.08 H new ATOM 1509 N ASP B 52 7.775 2.114 -9.653 1.00 6.95 N ATOM 1510 CA ASP B 52 8.836 1.106 -9.730 1.00 7.11 C ATOM 1511 C ASP B 52 10.136 1.669 -10.302 1.00 7.68 C ATOM 1512 O ASP B 52 11.222 1.376 -9.797 1.00 7.65 O ATOM 1513 CB ASP B 52 8.383 -0.072 -10.598 1.00 7.41 C ATOM 1514 CG ASP B 52 7.035 -0.631 -10.190 1.00 6.92 C ATOM 1515 OD1 ASP B 52 6.009 0.021 -10.461 1.00 6.71 O ATOM 1516 OD2 ASP B 52 6.994 -1.727 -9.590 1.00 6.84 O ATOM 0 H ASP B 52 6.906 1.831 -10.107 1.00 6.95 H new ATOM 0 HA ASP B 52 9.030 0.776 -8.709 1.00 7.11 H new ATOM 0 HB2 ASP B 52 8.336 0.249 -11.639 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.130 -0.864 -10.542 1.00 7.41 H new ATOM 1521 N GLY B 53 10.018 2.481 -11.348 1.00 8.21 N ATOM 1522 CA GLY B 53 11.192 3.054 -11.986 1.00 8.81 C ATOM 1523 C GLY B 53 11.805 4.208 -11.213 1.00 8.72 C ATOM 1524 O GLY B 53 12.883 4.688 -11.565 1.00 9.22 O ATOM 0 H GLY B 53 9.129 2.754 -11.767 1.00 8.21 H new ATOM 0 HA2 GLY B 53 11.943 2.274 -12.113 1.00 8.81 H new ATOM 0 HA3 GLY B 53 10.920 3.400 -12.983 1.00 8.81 H new ATOM 1528 N ARG B 54 11.139 4.647 -10.157 1.00 8.14 N ATOM 1529 CA ARG B 54 11.638 5.753 -9.354 1.00 8.09 C ATOM 1530 C ARG B 54 12.472 5.239 -8.188 1.00 7.60 C ATOM 1531 O ARG B 54 12.455 4.048 -7.872 1.00 7.21 O ATOM 1532 CB ARG B 54 10.480 6.606 -8.835 1.00 7.88 C ATOM 1533 CG ARG B 54 9.857 7.508 -9.889 1.00 8.41 C ATOM 1534 CD ARG B 54 10.861 8.510 -10.435 1.00 9.15 C ATOM 1535 NE ARG B 54 11.476 8.046 -11.679 1.00 9.64 N ATOM 1536 CZ ARG B 54 12.787 8.040 -11.919 1.00 10.23 C ATOM 1537 NH1 ARG B 54 13.650 8.423 -10.983 1.00 10.39 N ATOM 1538 NH2 ARG B 54 13.237 7.626 -13.097 1.00 10.70 N ATOM 0 H ARG B 54 10.253 4.256 -9.836 1.00 8.14 H new ATOM 0 HA ARG B 54 12.272 6.372 -9.989 1.00 8.09 H new ATOM 0 HB2 ARG B 54 9.709 5.948 -8.432 1.00 7.88 H new ATOM 0 HB3 ARG B 54 10.837 7.222 -8.009 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.469 6.899 -10.706 1.00 8.41 H new ATOM 0 HG3 ARG B 54 9.009 8.040 -9.458 1.00 8.41 H new ATOM 0 HD2 ARG B 54 10.363 9.464 -10.610 1.00 9.15 H new ATOM 0 HD3 ARG B 54 11.637 8.688 -9.691 1.00 9.15 H new ATOM 0 HE ARG B 54 10.858 7.703 -12.414 1.00 9.64 H new ATOM 0 HH11 ARG B 54 13.311 8.726 -10.070 1.00 10.39 H new ATOM 0 HH12 ARG B 54 14.651 8.414 -11.178 1.00 10.39 H new ATOM 0 HH21 ARG B 54 12.581 7.315 -13.813 1.00 10.70 H new ATOM 0 HH22 ARG B 54 14.239 7.619 -13.286 1.00 10.70 H new ATOM 1552 N THR B 55 13.202 6.144 -7.557 1.00 7.68 N ATOM 1553 CA THR B 55 14.045 5.795 -6.430 1.00 7.27 C ATOM 1554 C THR B 55 13.434 6.303 -5.128 1.00 6.76 C ATOM 1555 O THR B 55 12.485 7.090 -5.143 1.00 6.83 O ATOM 1556 CB THR B 55 15.462 6.375 -6.597 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.389 7.765 -6.949 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.232 5.623 -7.671 1.00 8.15 C ATOM 0 H THR B 55 13.226 7.132 -7.810 1.00 7.68 H new ATOM 0 HA THR B 55 14.116 4.708 -6.393 1.00 7.27 H new ATOM 0 HB THR B 55 15.985 6.266 -5.647 1.00 7.75 H new ATOM 0 HG1 THR B 55 14.831 7.871 -7.747 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.230 6.051 -7.771 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.314 4.573 -7.392 1.00 8.15 H new ATOM 0 HG23 THR B 55 15.705 5.706 -8.622 1.00 8.15 H new ATOM 1566 N LEU B 56 13.985 5.861 -4.007 1.00 6.30 N ATOM 1567 CA LEU B 56 13.489 6.267 -2.696 1.00 5.87 C ATOM 1568 C LEU B 56 13.678 7.768 -2.468 1.00 6.39 C ATOM 1569 O LEU B 56 12.854 8.420 -1.822 1.00 6.35 O ATOM 1570 CB LEU B 56 14.200 5.475 -1.596 1.00 5.35 C ATOM 1571 CG LEU B 56 13.955 3.963 -1.617 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.947 3.247 -0.712 1.00 4.55 C ATOM 1573 CD2 LEU B 56 12.529 3.644 -1.194 1.00 4.34 C ATOM 0 H LEU B 56 14.778 5.220 -3.977 1.00 6.30 H new ATOM 0 HA LEU B 56 12.421 6.054 -2.661 1.00 5.87 H new ATOM 0 HB2 LEU B 56 15.272 5.654 -1.677 1.00 5.35 H new ATOM 0 HB3 LEU B 56 13.884 5.864 -0.628 1.00 5.35 H new ATOM 0 HG LEU B 56 14.100 3.610 -2.638 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.757 2.174 -0.740 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.962 3.445 -1.056 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.834 3.609 0.310 1.00 4.55 H new ATOM 0 HD21 LEU B 56 12.376 2.565 -1.216 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.358 4.015 -0.183 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.830 4.124 -1.879 1.00 4.34 H new ATOM 1585 N SER B 57 14.758 8.317 -3.013 1.00 6.96 N ATOM 1586 CA SER B 57 15.053 9.736 -2.862 1.00 7.54 C ATOM 1587 C SER B 57 14.100 10.603 -3.687 1.00 7.98 C ATOM 1588 O SER B 57 13.941 11.793 -3.413 1.00 8.39 O ATOM 1589 CB SER B 57 16.503 10.010 -3.261 1.00 8.01 C ATOM 1590 OG SER B 57 16.946 9.075 -4.231 1.00 7.91 O ATOM 0 H SER B 57 15.444 7.800 -3.564 1.00 6.96 H new ATOM 0 HA SER B 57 14.910 10.000 -1.814 1.00 7.54 H new ATOM 0 HB2 SER B 57 16.590 11.021 -3.658 1.00 8.01 H new ATOM 0 HB3 SER B 57 17.143 9.957 -2.380 1.00 8.01 H new ATOM 0 HG SER B 57 17.875 9.270 -4.473 1.00 7.91 H new ATOM 1596 N ASP B 58 13.447 10.000 -4.680 1.00 7.94 N ATOM 1597 CA ASP B 58 12.513 10.729 -5.538 1.00 8.36 C ATOM 1598 C ASP B 58 11.282 11.148 -4.751 1.00 8.11 C ATOM 1599 O ASP B 58 10.653 12.163 -5.046 1.00 8.57 O ATOM 1600 CB ASP B 58 12.080 9.879 -6.737 1.00 8.35 C ATOM 1601 CG ASP B 58 13.135 9.799 -7.819 1.00 8.93 C ATOM 1602 OD1 ASP B 58 13.743 10.838 -8.147 1.00 9.53 O ATOM 1603 OD2 ASP B 58 13.370 8.692 -8.346 1.00 8.85 O ATOM 0 H ASP B 58 13.547 9.011 -4.910 1.00 7.94 H new ATOM 0 HA ASP B 58 13.031 11.615 -5.905 1.00 8.36 H new ATOM 0 HB2 ASP B 58 11.842 8.872 -6.394 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.166 10.296 -7.159 1.00 8.35 H new ATOM 1608 N TYR B 59 10.943 10.361 -3.742 1.00 7.43 N ATOM 1609 CA TYR B 59 9.782 10.646 -2.913 1.00 7.20 C ATOM 1610 C TYR B 59 10.205 11.125 -1.532 1.00 7.19 C ATOM 1611 O TYR B 59 9.395 11.163 -0.606 1.00 6.99 O ATOM 1612 CB TYR B 59 8.903 9.402 -2.791 1.00 6.47 C ATOM 1613 CG TYR B 59 8.364 8.921 -4.116 1.00 6.52 C ATOM 1614 CD1 TYR B 59 7.215 9.478 -4.658 1.00 6.55 C ATOM 1615 CD2 TYR B 59 9.007 7.917 -4.830 1.00 6.66 C ATOM 1616 CE1 TYR B 59 6.720 9.050 -5.873 1.00 6.65 C ATOM 1617 CE2 TYR B 59 8.519 7.484 -6.046 1.00 6.81 C ATOM 1618 CZ TYR B 59 7.375 8.054 -6.564 1.00 6.77 C ATOM 1619 OH TYR B 59 6.887 7.629 -7.780 1.00 6.97 O ATOM 0 H TYR B 59 11.455 9.520 -3.477 1.00 7.43 H new ATOM 0 HA TYR B 59 9.209 11.441 -3.390 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.480 8.601 -2.329 1.00 6.47 H new ATOM 0 HB3 TYR B 59 8.069 9.619 -2.124 1.00 6.47 H new ATOM 0 HD1 TYR B 59 6.699 10.260 -4.120 1.00 6.55 H new ATOM 0 HD2 TYR B 59 9.903 7.468 -4.427 1.00 6.66 H new ATOM 0 HE1 TYR B 59 5.823 9.494 -6.280 1.00 6.65 H new ATOM 0 HE2 TYR B 59 9.030 6.703 -6.589 1.00 6.81 H new ATOM 0 HH TYR B 59 5.908 7.598 -7.747 1.00 6.97 H new ATOM 1629 N ASN B 60 11.480 11.485 -1.409 1.00 7.47 N ATOM 1630 CA ASN B 60 12.040 11.972 -0.148 1.00 7.55 C ATOM 1631 C ASN B 60 11.793 10.973 0.981 1.00 6.85 C ATOM 1632 O ASN B 60 11.371 11.338 2.079 1.00 6.88 O ATOM 1633 CB ASN B 60 11.451 13.343 0.205 1.00 8.14 C ATOM 1634 CG ASN B 60 12.151 14.017 1.378 1.00 8.48 C ATOM 1635 OD1 ASN B 60 13.447 13.788 1.522 1.00 8.51 O flip ATOM 1636 ND2 ASN B 60 11.527 14.749 2.147 1.00 8.82 N flip ATOM 0 H ASN B 60 12.152 11.448 -2.175 1.00 7.47 H new ATOM 0 HA ASN B 60 13.117 12.080 -0.273 1.00 7.55 H new ATOM 0 HB2 ASN B 60 11.513 13.993 -0.668 1.00 8.14 H new ATOM 0 HB3 ASN B 60 10.393 13.226 0.441 1.00 8.14 H new ATOM 0 HD21 ASN B 60 10.529 14.904 2.006 1.00 8.82 H new ATOM 0 HD22 ASN B 60 12.009 15.201 2.924 1.00 8.82 H new ATOM 1643 N ILE B 61 12.037 9.706 0.697 1.00 6.28 N ATOM 1644 CA ILE B 61 11.859 8.672 1.695 1.00 5.59 C ATOM 1645 C ILE B 61 13.114 8.583 2.549 1.00 5.56 C ATOM 1646 O ILE B 61 14.205 8.305 2.049 1.00 5.56 O ATOM 1647 CB ILE B 61 11.542 7.306 1.051 1.00 4.98 C ATOM 1648 CG1 ILE B 61 10.287 7.425 0.179 1.00 5.03 C ATOM 1649 CG2 ILE B 61 11.356 6.238 2.120 1.00 4.29 C ATOM 1650 CD1 ILE B 61 9.993 6.195 -0.650 1.00 4.62 C ATOM 0 H ILE B 61 12.357 9.372 -0.212 1.00 6.28 H new ATOM 0 HA ILE B 61 11.006 8.936 2.321 1.00 5.59 H new ATOM 0 HB ILE B 61 12.381 7.008 0.423 1.00 4.98 H new ATOM 0 HG12 ILE B 61 9.430 7.631 0.820 1.00 5.03 H new ATOM 0 HG13 ILE B 61 10.400 8.281 -0.487 1.00 5.03 H new ATOM 0 HG21 ILE B 61 11.133 5.283 1.645 1.00 4.29 H new ATOM 0 HG22 ILE B 61 12.270 6.147 2.707 1.00 4.29 H new ATOM 0 HG23 ILE B 61 10.531 6.519 2.775 1.00 4.29 H new ATOM 0 HD11 ILE B 61 9.090 6.360 -1.238 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.831 5.998 -1.319 1.00 4.62 H new ATOM 0 HD13 ILE B 61 9.846 5.339 0.009 1.00 4.62 H new ATOM 1662 N GLN B 62 12.960 8.871 3.828 1.00 5.63 N ATOM 1663 CA GLN B 62 14.076 8.849 4.760 1.00 5.66 C ATOM 1664 C GLN B 62 14.064 7.568 5.579 1.00 5.00 C ATOM 1665 O GLN B 62 13.201 6.711 5.389 1.00 4.51 O ATOM 1666 CB GLN B 62 13.988 10.058 5.687 1.00 6.23 C ATOM 1667 CG GLN B 62 13.906 11.385 4.952 1.00 6.94 C ATOM 1668 CD GLN B 62 13.208 12.455 5.762 1.00 7.54 C ATOM 1669 OE1 GLN B 62 12.511 13.304 5.211 1.00 8.05 O ATOM 1670 NE2 GLN B 62 13.391 12.428 7.072 1.00 7.56 N ATOM 0 H GLN B 62 12.066 9.125 4.249 1.00 5.63 H new ATOM 0 HA GLN B 62 15.007 8.888 4.195 1.00 5.66 H new ATOM 0 HB2 GLN B 62 13.112 9.952 6.326 1.00 6.23 H new ATOM 0 HB3 GLN B 62 14.860 10.068 6.341 1.00 6.23 H new ATOM 0 HG2 GLN B 62 14.912 11.721 4.703 1.00 6.94 H new ATOM 0 HG3 GLN B 62 13.375 11.243 4.011 1.00 6.94 H new ATOM 0 HE21 GLN B 62 13.978 11.706 7.490 1.00 7.56 H new ATOM 0 HE22 GLN B 62 12.946 13.129 7.664 1.00 7.56 H new ATOM 1679 N LYS B 63 15.012 7.442 6.495 1.00 5.05 N ATOM 1680 CA LYS B 63 15.081 6.267 7.345 1.00 4.56 C ATOM 1681 C LYS B 63 13.946 6.300 8.360 1.00 4.55 C ATOM 1682 O LYS B 63 13.437 7.374 8.689 1.00 5.02 O ATOM 1683 CB LYS B 63 16.436 6.189 8.054 1.00 4.73 C ATOM 1684 CG LYS B 63 16.677 7.306 9.056 1.00 5.32 C ATOM 1685 CD LYS B 63 18.078 7.226 9.637 1.00 5.47 C ATOM 1686 CE LYS B 63 18.365 8.392 10.569 1.00 6.08 C ATOM 1687 NZ LYS B 63 17.645 8.268 11.862 1.00 6.18 N ATOM 0 H LYS B 63 15.740 8.136 6.667 1.00 5.05 H new ATOM 0 HA LYS B 63 14.976 5.377 6.724 1.00 4.56 H new ATOM 0 HB2 LYS B 63 16.510 5.231 8.569 1.00 4.73 H new ATOM 0 HB3 LYS B 63 17.228 6.210 7.305 1.00 4.73 H new ATOM 0 HG2 LYS B 63 16.536 8.271 8.570 1.00 5.32 H new ATOM 0 HG3 LYS B 63 15.943 7.243 9.859 1.00 5.32 H new ATOM 0 HD2 LYS B 63 18.194 6.288 10.180 1.00 5.47 H new ATOM 0 HD3 LYS B 63 18.808 7.218 8.828 1.00 5.47 H new ATOM 0 HE2 LYS B 63 19.437 8.450 10.756 1.00 6.08 H new ATOM 0 HE3 LYS B 63 18.076 9.323 10.082 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 17.231 9.187 12.118 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 16.888 7.561 11.771 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 18.311 7.969 12.603 1.00 6.18 H new ATOM 1701 N GLU B 64 13.533 5.122 8.822 1.00 4.12 N ATOM 1702 CA GLU B 64 12.451 4.989 9.800 1.00 4.23 C ATOM 1703 C GLU B 64 11.096 5.415 9.223 1.00 4.21 C ATOM 1704 O GLU B 64 10.124 5.572 9.961 1.00 4.54 O ATOM 1705 CB GLU B 64 12.746 5.788 11.079 1.00 4.87 C ATOM 1706 CG GLU B 64 13.750 5.123 12.006 1.00 4.93 C ATOM 1707 CD GLU B 64 15.160 5.629 11.799 1.00 5.11 C ATOM 1708 OE1 GLU B 64 15.406 6.831 12.040 1.00 5.47 O ATOM 1709 OE2 GLU B 64 16.033 4.828 11.407 1.00 5.06 O ATOM 0 H GLU B 64 13.937 4.232 8.530 1.00 4.12 H new ATOM 0 HA GLU B 64 12.395 3.930 10.052 1.00 4.23 H new ATOM 0 HB2 GLU B 64 13.121 6.773 10.801 1.00 4.87 H new ATOM 0 HB3 GLU B 64 11.813 5.943 11.621 1.00 4.87 H new ATOM 0 HG2 GLU B 64 13.454 5.297 13.040 1.00 4.93 H new ATOM 0 HG3 GLU B 64 13.728 4.045 11.845 1.00 4.93 H new ATOM 1716 N SER B 65 11.026 5.598 7.911 1.00 3.91 N ATOM 1717 CA SER B 65 9.774 5.984 7.277 1.00 3.90 C ATOM 1718 C SER B 65 8.881 4.761 7.122 1.00 3.33 C ATOM 1719 O SER B 65 9.335 3.706 6.674 1.00 2.87 O ATOM 1720 CB SER B 65 10.029 6.631 5.914 1.00 4.00 C ATOM 1721 OG SER B 65 10.830 7.793 6.041 1.00 4.61 O ATOM 0 H SER B 65 11.813 5.487 7.271 1.00 3.91 H new ATOM 0 HA SER B 65 9.274 6.717 7.910 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.522 5.916 5.256 1.00 4.00 H new ATOM 0 HB3 SER B 65 9.078 6.890 5.448 1.00 4.00 H new ATOM 0 HG SER B 65 11.691 7.647 5.597 1.00 4.61 H new ATOM 1727 N THR B 66 7.622 4.897 7.504 1.00 3.44 N ATOM 1728 CA THR B 66 6.680 3.799 7.410 1.00 3.03 C ATOM 1729 C THR B 66 5.906 3.845 6.095 1.00 2.64 C ATOM 1730 O THR B 66 4.982 4.645 5.926 1.00 2.95 O ATOM 1731 CB THR B 66 5.698 3.814 8.595 1.00 3.54 C ATOM 1732 OG1 THR B 66 6.428 3.957 9.822 1.00 4.12 O ATOM 1733 CG2 THR B 66 4.874 2.534 8.636 1.00 3.37 C ATOM 0 H THR B 66 7.230 5.759 7.882 1.00 3.44 H new ATOM 0 HA THR B 66 7.255 2.874 7.441 1.00 3.03 H new ATOM 0 HB THR B 66 5.018 4.657 8.469 1.00 3.54 H new ATOM 0 HG1 THR B 66 5.802 3.968 10.576 1.00 4.12 H new ATOM 0 HG21 THR B 66 4.188 2.570 9.482 1.00 3.37 H new ATOM 0 HG22 THR B 66 4.305 2.438 7.711 1.00 3.37 H new ATOM 0 HG23 THR B 66 5.539 1.677 8.744 1.00 3.37 H new ATOM 1741 N LEU B 67 6.313 2.996 5.164 1.00 2.05 N ATOM 1742 CA LEU B 67 5.671 2.905 3.863 1.00 1.73 C ATOM 1743 C LEU B 67 4.439 2.019 3.968 1.00 1.35 C ATOM 1744 O LEU B 67 4.377 1.140 4.826 1.00 1.37 O ATOM 1745 CB LEU B 67 6.639 2.325 2.823 1.00 1.57 C ATOM 1746 CG LEU B 67 7.984 3.046 2.695 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.907 2.295 1.745 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.783 4.477 2.222 1.00 2.73 C ATOM 0 H LEU B 67 7.095 2.353 5.289 1.00 2.05 H new ATOM 0 HA LEU B 67 5.378 3.905 3.544 1.00 1.73 H new ATOM 0 HB2 LEU B 67 6.829 1.281 3.073 1.00 1.57 H new ATOM 0 HB3 LEU B 67 6.148 2.336 1.850 1.00 1.57 H new ATOM 0 HG LEU B 67 8.451 3.072 3.679 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.857 2.823 1.668 1.00 2.27 H new ATOM 0 HD12 LEU B 67 9.081 1.289 2.126 1.00 2.27 H new ATOM 0 HD13 LEU B 67 8.444 2.235 0.760 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.751 4.972 2.138 1.00 2.73 H new ATOM 0 HD22 LEU B 67 7.291 4.473 1.249 1.00 2.73 H new ATOM 0 HD23 LEU B 67 7.163 5.014 2.940 1.00 2.73 H new ATOM 1760 N HIS B 68 3.462 2.246 3.110 1.00 1.33 N ATOM 1761 CA HIS B 68 2.245 1.451 3.137 1.00 1.10 C ATOM 1762 C HIS B 68 2.216 0.478 1.969 1.00 0.56 C ATOM 1763 O HIS B 68 2.004 0.876 0.824 1.00 0.78 O ATOM 1764 CB HIS B 68 1.004 2.347 3.100 1.00 1.57 C ATOM 1765 CG HIS B 68 0.780 3.126 4.358 1.00 2.36 C ATOM 1766 ND1 HIS B 68 -0.125 2.752 5.326 1.00 2.80 N ATOM 1767 CD2 HIS B 68 1.348 4.272 4.799 1.00 3.18 C ATOM 1768 CE1 HIS B 68 -0.105 3.634 6.309 1.00 3.58 C ATOM 1769 NE2 HIS B 68 0.780 4.563 6.012 1.00 3.83 N ATOM 0 H HIS B 68 3.485 2.968 2.390 1.00 1.33 H new ATOM 0 HA HIS B 68 2.236 0.886 4.069 1.00 1.10 H new ATOM 0 HB2 HIS B 68 1.095 3.042 2.265 1.00 1.57 H new ATOM 0 HB3 HIS B 68 0.127 1.729 2.906 1.00 1.57 H new ATOM 0 HD2 HIS B 68 2.106 4.849 4.291 1.00 3.18 H new ATOM 0 HE1 HIS B 68 -0.710 3.599 7.203 1.00 3.58 H new ATOM 0 HE2 HIS B 68 1.007 5.371 6.592 1.00 3.83 H new ATOM 1778 N LEU B 69 2.448 -0.790 2.264 1.00 0.85 N ATOM 1779 CA LEU B 69 2.432 -1.828 1.249 1.00 1.28 C ATOM 1780 C LEU B 69 1.007 -2.329 1.070 1.00 1.50 C ATOM 1781 O LEU B 69 0.560 -3.244 1.761 1.00 1.96 O ATOM 1782 CB LEU B 69 3.363 -2.981 1.635 1.00 1.92 C ATOM 1783 CG LEU B 69 3.466 -4.114 0.610 1.00 2.60 C ATOM 1784 CD1 LEU B 69 4.047 -3.608 -0.699 1.00 2.68 C ATOM 1785 CD2 LEU B 69 4.306 -5.253 1.163 1.00 3.24 C ATOM 0 H LEU B 69 2.651 -1.126 3.205 1.00 0.85 H new ATOM 0 HA LEU B 69 2.791 -1.413 0.307 1.00 1.28 H new ATOM 0 HB2 LEU B 69 4.361 -2.578 1.807 1.00 1.92 H new ATOM 0 HB3 LEU B 69 3.021 -3.400 2.581 1.00 1.92 H new ATOM 0 HG LEU B 69 2.462 -4.488 0.412 1.00 2.60 H new ATOM 0 HD11 LEU B 69 4.110 -4.431 -1.411 1.00 2.68 H new ATOM 0 HD12 LEU B 69 3.405 -2.826 -1.104 1.00 2.68 H new ATOM 0 HD13 LEU B 69 5.044 -3.203 -0.522 1.00 2.68 H new ATOM 0 HD21 LEU B 69 4.370 -6.051 0.423 1.00 3.24 H new ATOM 0 HD22 LEU B 69 5.308 -4.889 1.391 1.00 3.24 H new ATOM 0 HD23 LEU B 69 3.844 -5.638 2.072 1.00 3.24 H new ATOM 1797 N VAL B 70 0.289 -1.695 0.166 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.087 -2.057 -0.101 1.00 1.60 C ATOM 1799 C VAL B 70 -1.159 -3.138 -1.169 1.00 2.32 C ATOM 1800 O VAL B 70 -0.867 -2.892 -2.337 1.00 2.64 O ATOM 1801 CB VAL B 70 -1.909 -0.833 -0.553 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.383 -1.185 -0.677 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -1.708 0.333 0.409 1.00 0.88 C ATOM 0 H VAL B 70 0.639 -0.921 -0.399 1.00 1.39 H new ATOM 0 HA VAL B 70 -1.511 -2.439 0.828 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.553 -0.529 -1.537 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -3.941 -0.305 -0.997 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.507 -1.980 -1.412 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -3.759 -1.522 0.289 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.296 1.187 0.073 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.031 0.040 1.408 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -0.653 0.606 0.434 1.00 0.88 H new ATOM 1813 N LEU B 71 -1.519 -4.341 -0.751 1.00 2.72 N ATOM 1814 CA LEU B 71 -1.643 -5.460 -1.670 1.00 3.42 C ATOM 1815 C LEU B 71 -2.938 -5.338 -2.458 1.00 3.52 C ATOM 1816 O LEU B 71 -4.014 -5.657 -1.955 1.00 3.46 O ATOM 1817 CB LEU B 71 -1.600 -6.792 -0.915 1.00 3.93 C ATOM 1818 CG LEU B 71 -0.216 -7.434 -0.795 1.00 4.27 C ATOM 1819 CD1 LEU B 71 0.727 -6.544 0.001 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -0.329 -8.803 -0.147 1.00 4.99 C ATOM 0 H LEU B 71 -1.731 -4.567 0.221 1.00 2.72 H new ATOM 0 HA LEU B 71 -0.801 -5.438 -2.362 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -1.997 -6.635 0.088 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -2.266 -7.495 -1.415 1.00 3.93 H new ATOM 0 HG LEU B 71 0.197 -7.553 -1.797 1.00 4.27 H new ATOM 0 HD11 LEU B 71 1.704 -7.022 0.073 1.00 4.40 H new ATOM 0 HD12 LEU B 71 0.829 -5.582 -0.501 1.00 4.40 H new ATOM 0 HD13 LEU B 71 0.324 -6.390 1.002 1.00 4.40 H new ATOM 0 HD21 LEU B 71 0.662 -9.250 -0.067 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -0.762 -8.700 0.848 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -0.968 -9.442 -0.756 1.00 4.99 H new ATOM 1832 N ARG B 72 -2.833 -4.858 -3.687 1.00 3.80 N ATOM 1833 CA ARG B 72 -4.005 -4.688 -4.531 1.00 4.03 C ATOM 1834 C ARG B 72 -4.354 -5.991 -5.234 1.00 4.67 C ATOM 1835 O ARG B 72 -3.786 -6.321 -6.277 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.787 -3.575 -5.560 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.944 -3.418 -6.541 1.00 4.52 C ATOM 1838 CD ARG B 72 -4.730 -2.248 -7.486 1.00 4.87 C ATOM 1839 NE ARG B 72 -3.494 -2.372 -8.257 1.00 5.41 N ATOM 1840 CZ ARG B 72 -2.682 -1.352 -8.534 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -2.963 -0.130 -8.094 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -1.588 -1.553 -9.252 1.00 6.44 N ATOM 0 H ARG B 72 -1.953 -4.580 -4.121 1.00 3.80 H new ATOM 0 HA ARG B 72 -4.838 -4.402 -3.889 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -3.635 -2.631 -5.036 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.873 -3.781 -6.118 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -5.057 -4.335 -7.119 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -5.872 -3.273 -5.988 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -5.576 -2.178 -8.170 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -4.706 -1.321 -6.913 1.00 4.87 H new ATOM 0 HE ARG B 72 -3.237 -3.296 -8.604 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -3.804 0.032 -7.541 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -2.337 0.646 -8.310 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -1.367 -2.488 -9.593 1.00 6.44 H new ATOM 0 HH22 ARG B 72 -0.967 -0.772 -9.464 1.00 6.44 H new ATOM 1856 N LEU B 73 -5.265 -6.741 -4.645 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.699 -7.993 -5.230 1.00 5.30 C ATOM 1858 C LEU B 73 -7.010 -7.784 -5.971 1.00 5.53 C ATOM 1859 O LEU B 73 -7.794 -6.896 -5.629 1.00 5.25 O ATOM 1860 CB LEU B 73 -5.848 -9.077 -4.164 1.00 5.36 C ATOM 1861 CG LEU B 73 -4.571 -9.864 -3.859 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -3.644 -9.063 -2.961 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -4.907 -11.197 -3.219 1.00 6.22 C ATOM 0 H LEU B 73 -5.718 -6.505 -3.762 1.00 4.67 H new ATOM 0 HA LEU B 73 -4.940 -8.329 -5.936 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -6.200 -8.613 -3.242 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -6.620 -9.776 -4.484 1.00 5.36 H new ATOM 0 HG LEU B 73 -4.055 -10.052 -4.801 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -2.744 -9.643 -2.758 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -3.372 -8.132 -3.457 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -4.151 -8.839 -2.022 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -3.987 -11.742 -3.009 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -5.448 -11.028 -2.288 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -5.528 -11.781 -3.899 1.00 6.22 H new ATOM 1875 N ARG B 74 -7.237 -8.591 -6.992 1.00 6.12 N ATOM 1876 CA ARG B 74 -8.443 -8.488 -7.793 1.00 6.46 C ATOM 1877 C ARG B 74 -9.611 -9.179 -7.094 1.00 6.87 C ATOM 1878 O ARG B 74 -9.882 -10.356 -7.326 1.00 7.38 O ATOM 1879 CB ARG B 74 -8.197 -9.102 -9.174 1.00 6.96 C ATOM 1880 CG ARG B 74 -9.100 -8.550 -10.259 1.00 7.09 C ATOM 1881 CD ARG B 74 -8.342 -8.367 -11.564 1.00 7.58 C ATOM 1882 NE ARG B 74 -9.226 -7.978 -12.663 1.00 8.13 N ATOM 1883 CZ ARG B 74 -8.849 -7.215 -13.688 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -7.612 -6.747 -13.753 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -9.714 -6.923 -14.651 1.00 9.16 N ATOM 0 H ARG B 74 -6.598 -9.329 -7.287 1.00 6.12 H new ATOM 0 HA ARG B 74 -8.701 -7.436 -7.916 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -7.158 -8.931 -9.457 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -8.337 -10.181 -9.112 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -9.941 -9.226 -10.415 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -9.515 -7.594 -9.939 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -7.572 -7.607 -11.432 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -7.832 -9.296 -11.820 1.00 7.58 H new ATOM 0 HE ARG B 74 -10.190 -8.311 -12.643 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -6.943 -6.970 -13.016 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -7.328 -6.163 -14.540 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -10.667 -7.283 -14.606 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -9.425 -6.339 -15.436 1.00 9.16 H new ATOM 1899 N GLY B 75 -10.289 -8.441 -6.225 1.00 6.78 N ATOM 1900 CA GLY B 75 -11.419 -8.988 -5.503 1.00 7.22 C ATOM 1901 C GLY B 75 -12.466 -7.936 -5.206 1.00 7.03 C ATOM 1902 O GLY B 75 -12.159 -6.743 -5.174 1.00 7.21 O ATOM 0 H GLY B 75 -10.074 -7.468 -6.007 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -11.868 -9.791 -6.087 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -11.073 -9.429 -4.568 1.00 7.22 H new ATOM 1906 N GLY B 76 -13.699 -8.374 -5.001 1.00 6.90 N ATOM 1907 CA GLY B 76 -14.780 -7.455 -4.710 1.00 6.84 C ATOM 1908 C GLY B 76 -15.961 -7.673 -5.634 1.00 7.02 C ATOM 1909 O GLY B 76 -17.072 -7.199 -5.319 1.00 7.18 O ATOM 1910 OXT GLY B 76 -15.777 -8.323 -6.686 1.00 7.20 O ATOM 0 H GLY B 76 -13.972 -9.356 -5.031 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -15.098 -7.583 -3.675 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -14.424 -6.430 -4.810 1.00 6.84 H new