USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 965 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 -59:sc= 0.99 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.136 USER MOD Set 2.1: B 7 THR OG1 : rot 175:sc= -0.699 USER MOD Set 2.2: B 9 THR OG1 : rot 132:sc= 0.165 USER MOD Single : A 64 SER OG : rot 160:sc= 0.0128 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.01 K(o=-1,f=-2.4!) USER MOD Single : A 69 GLN : amide:sc= -2.22! C(o=-2.2!,f=-4!) USER MOD Single : A 71 GLN : amide:sc= 0.615 K(o=0.62,f=-3.3!) USER MOD Single : A 72 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.092) USER MOD Single : A 76 MET CE :methyl -130:sc= -0.184 (180deg=-0.85) USER MOD Single : A 79 GLN : amide:sc= 0.0214 K(o=0.021,f=-0.87) USER MOD Single : A 84 SER OG : rot 68:sc= 1.1 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -78:sc= 1.19 USER MOD Single : A 96 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.37) USER MOD Single : B 1 MET CE :methyl -172:sc= 0 (180deg=-0.0376) USER MOD Single : B 1 MET N :NH3+ 175:sc= 1.29 (180deg=1.2) USER MOD Single : B 2 GLN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.924) USER MOD Single : B 12 THR OG1 : rot 57:sc= 0.631 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : B 20 SER OG : rot 67:sc= 0.101 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : B 25 ASN : amide:sc= 1.21 K(o=1.2,f=-1) USER MOD Single : B 27 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.11) USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= 1.06 (180deg=0.87) USER MOD Single : B 31 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.6) USER MOD Single : B 33 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.22) USER MOD Single : B 40 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : B 41 GLN : amide:sc= 0.338 K(o=0.34,f=-6.7!) USER MOD Single : B 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.133) USER MOD Single : B 49 GLN : amide:sc= 1.24 K(o=1.2,f=-6.7!) USER MOD Single : B 59 TYR OH : rot -39:sc= 0.983 USER MOD Single : B 60 ASN :FLIP amide:sc= -0.283 F(o=-1.3,f=-0.28) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 150:sc= 0.936 (180deg=0.367) USER MOD Single : B 65 SER OG : rot 120:sc= 0.963 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= 0.99 K(o=0.99,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 63 -22.582 14.211 -4.902 1.00 14.11 N ATOM 2 CA GLY A 63 -22.356 13.684 -3.535 1.00 13.39 C ATOM 3 C GLY A 63 -22.529 12.184 -3.464 1.00 12.08 C ATOM 4 O GLY A 63 -23.271 11.599 -4.253 1.00 11.75 O ATOM 0 HA2 GLY A 63 -21.350 13.948 -3.208 1.00 13.39 H new ATOM 0 HA3 GLY A 63 -23.051 14.161 -2.844 1.00 13.39 H new ATOM 8 N SER A 64 -21.851 11.559 -2.514 1.00 11.42 N ATOM 9 CA SER A 64 -21.931 10.121 -2.342 1.00 10.21 C ATOM 10 C SER A 64 -21.950 9.784 -0.858 1.00 9.88 C ATOM 11 O SER A 64 -21.430 10.541 -0.036 1.00 10.50 O ATOM 12 CB SER A 64 -20.748 9.436 -3.039 1.00 9.77 C ATOM 13 OG SER A 64 -20.735 8.041 -2.792 1.00 9.97 O ATOM 0 H SER A 64 -21.237 12.029 -1.849 1.00 11.42 H new ATOM 0 HA SER A 64 -22.851 9.755 -2.797 1.00 10.21 H new ATOM 0 HB2 SER A 64 -20.804 9.616 -4.113 1.00 9.77 H new ATOM 0 HB3 SER A 64 -19.814 9.877 -2.690 1.00 9.77 H new ATOM 0 HG SER A 64 -20.195 7.593 -3.476 1.00 9.97 H new ATOM 19 N GLN A 65 -22.541 8.648 -0.524 1.00 9.07 N ATOM 20 CA GLN A 65 -22.634 8.212 0.861 1.00 8.94 C ATOM 21 C GLN A 65 -21.265 7.829 1.405 1.00 8.54 C ATOM 22 O GLN A 65 -21.069 7.753 2.617 1.00 9.04 O ATOM 23 CB GLN A 65 -23.584 7.024 0.980 1.00 8.41 C ATOM 24 CG GLN A 65 -25.006 7.338 0.542 1.00 8.81 C ATOM 25 CD GLN A 65 -25.969 6.209 0.843 1.00 8.35 C ATOM 26 OE1 GLN A 65 -26.201 5.331 0.011 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.541 6.229 2.035 1.00 8.68 N ATOM 0 H GLN A 65 -22.965 8.008 -1.196 1.00 9.07 H new ATOM 0 HA GLN A 65 -23.022 9.044 1.449 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.200 6.200 0.378 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -23.598 6.683 2.015 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -25.345 8.244 1.044 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -25.016 7.544 -0.528 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.320 6.975 2.694 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -27.203 5.498 2.295 1.00 8.68 H new ATOM 36 N TRP A 66 -20.321 7.593 0.506 1.00 7.75 N ATOM 37 CA TRP A 66 -18.972 7.213 0.898 1.00 7.29 C ATOM 38 C TRP A 66 -17.948 8.195 0.335 1.00 7.94 C ATOM 39 O TRP A 66 -16.752 7.904 0.307 1.00 7.67 O ATOM 40 CB TRP A 66 -18.660 5.795 0.405 1.00 5.95 C ATOM 41 CG TRP A 66 -19.689 4.780 0.798 1.00 5.44 C ATOM 42 CD1 TRP A 66 -19.764 4.107 1.980 1.00 5.69 C ATOM 43 CD2 TRP A 66 -20.786 4.320 0.001 1.00 4.95 C ATOM 44 NE1 TRP A 66 -20.838 3.253 1.970 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.485 3.367 0.768 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.251 4.622 -1.283 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.615 2.709 0.291 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.377 3.970 -1.756 1.00 4.46 C ATOM 49 CH2 TRP A 66 -23.048 3.026 -0.969 1.00 4.35 C ATOM 0 H TRP A 66 -20.465 7.658 -0.502 1.00 7.75 H new ATOM 0 HA TRP A 66 -18.912 7.236 1.986 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -18.573 5.809 -0.681 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -17.691 5.488 0.799 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -19.078 4.228 2.805 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.110 2.634 2.734 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -20.741 5.351 -1.895 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -23.131 1.975 0.892 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.743 4.193 -2.747 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -23.926 2.537 -1.364 1.00 4.35 H new ATOM 60 N GLN A 67 -18.419 9.366 -0.094 1.00 8.91 N ATOM 61 CA GLN A 67 -17.538 10.384 -0.672 1.00 9.79 C ATOM 62 C GLN A 67 -16.417 10.801 0.290 1.00 10.34 C ATOM 63 O GLN A 67 -15.247 10.798 -0.100 1.00 10.35 O ATOM 64 CB GLN A 67 -18.331 11.610 -1.126 1.00 10.87 C ATOM 65 CG GLN A 67 -17.616 12.427 -2.190 1.00 11.49 C ATOM 66 CD GLN A 67 -18.564 12.970 -3.240 1.00 12.17 C ATOM 67 OE1 GLN A 67 -19.126 14.053 -3.087 1.00 12.51 O ATOM 68 NE2 GLN A 67 -18.749 12.219 -4.314 1.00 12.54 N ATOM 0 H GLN A 67 -19.402 9.634 -0.053 1.00 8.91 H new ATOM 0 HA GLN A 67 -17.069 9.928 -1.544 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -19.297 11.286 -1.514 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -18.531 12.245 -0.263 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -17.092 13.256 -1.715 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -16.861 11.807 -2.673 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -18.263 11.326 -4.402 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -19.377 12.533 -5.054 1.00 12.54 H new ATOM 77 N PRO A 68 -16.729 11.165 1.559 1.00 10.91 N ATOM 78 CA PRO A 68 -15.694 11.560 2.523 1.00 11.55 C ATOM 79 C PRO A 68 -14.730 10.412 2.803 1.00 10.63 C ATOM 80 O PRO A 68 -13.545 10.621 3.068 1.00 10.96 O ATOM 81 CB PRO A 68 -16.485 11.920 3.788 1.00 12.27 C ATOM 82 CG PRO A 68 -17.874 12.162 3.318 1.00 12.32 C ATOM 83 CD PRO A 68 -18.076 11.236 2.158 1.00 11.14 C ATOM 0 HA PRO A 68 -15.080 12.382 2.156 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -16.451 11.111 4.518 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -16.073 12.805 4.273 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -18.596 11.961 4.110 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -18.011 13.201 3.018 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -18.428 10.256 2.479 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -18.812 11.624 1.454 1.00 11.14 H new ATOM 91 N GLN A 69 -15.253 9.195 2.716 1.00 9.49 N ATOM 92 CA GLN A 69 -14.458 8.000 2.950 1.00 8.55 C ATOM 93 C GLN A 69 -13.404 7.855 1.861 1.00 8.02 C ATOM 94 O GLN A 69 -12.253 7.520 2.140 1.00 7.78 O ATOM 95 CB GLN A 69 -15.350 6.754 2.994 1.00 7.60 C ATOM 96 CG GLN A 69 -16.114 6.573 4.303 1.00 8.24 C ATOM 97 CD GLN A 69 -17.210 7.604 4.508 1.00 9.20 C ATOM 98 OE1 GLN A 69 -18.309 7.467 3.980 1.00 9.45 O ATOM 99 NE2 GLN A 69 -16.927 8.630 5.295 1.00 9.96 N ATOM 0 H GLN A 69 -16.229 9.011 2.484 1.00 9.49 H new ATOM 0 HA GLN A 69 -13.961 8.098 3.915 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -16.066 6.805 2.173 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -14.732 5.873 2.823 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -16.554 5.576 4.323 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -15.413 6.629 5.135 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -16.001 8.710 5.716 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -17.635 9.341 5.480 1.00 9.96 H new ATOM 108 N LEU A 70 -13.806 8.131 0.622 1.00 8.02 N ATOM 109 CA LEU A 70 -12.902 8.051 -0.523 1.00 7.89 C ATOM 110 C LEU A 70 -11.721 8.983 -0.323 1.00 8.90 C ATOM 111 O LEU A 70 -10.571 8.607 -0.539 1.00 8.74 O ATOM 112 CB LEU A 70 -13.622 8.440 -1.819 1.00 8.18 C ATOM 113 CG LEU A 70 -14.897 7.660 -2.129 1.00 7.26 C ATOM 114 CD1 LEU A 70 -15.667 8.336 -3.252 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.565 6.228 -2.506 1.00 6.12 C ATOM 0 H LEU A 70 -14.757 8.413 0.385 1.00 8.02 H new ATOM 0 HA LEU A 70 -12.555 7.021 -0.601 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -13.870 9.500 -1.771 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -12.929 8.312 -2.650 1.00 8.18 H new ATOM 0 HG LEU A 70 -15.521 7.646 -1.235 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -16.574 7.770 -3.463 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -15.933 9.349 -2.952 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -15.046 8.374 -4.147 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -15.485 5.686 -2.724 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -13.924 6.223 -3.387 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -14.047 5.745 -1.678 1.00 6.12 H new ATOM 127 N GLN A 71 -12.022 10.202 0.098 1.00 9.99 N ATOM 128 CA GLN A 71 -11.001 11.210 0.332 1.00 11.06 C ATOM 129 C GLN A 71 -10.021 10.760 1.411 1.00 10.72 C ATOM 130 O GLN A 71 -8.804 10.881 1.245 1.00 11.09 O ATOM 131 CB GLN A 71 -11.656 12.533 0.723 1.00 12.24 C ATOM 132 CG GLN A 71 -12.494 13.135 -0.392 1.00 13.13 C ATOM 133 CD GLN A 71 -11.652 13.594 -1.565 1.00 13.82 C ATOM 134 OE1 GLN A 71 -11.325 12.811 -2.462 1.00 14.10 O ATOM 135 NE2 GLN A 71 -11.295 14.867 -1.566 1.00 14.24 N ATOM 0 H GLN A 71 -12.973 10.518 0.286 1.00 9.99 H new ATOM 0 HA GLN A 71 -10.439 11.350 -0.591 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -12.286 12.375 1.598 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -10.882 13.244 1.012 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -13.220 12.398 -0.736 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -13.060 13.981 -0.001 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -11.587 15.479 -0.804 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -10.727 15.237 -2.328 1.00 14.24 H new ATOM 144 N GLN A 72 -10.552 10.227 2.504 1.00 10.10 N ATOM 145 CA GLN A 72 -9.724 9.758 3.609 1.00 9.84 C ATOM 146 C GLN A 72 -8.836 8.595 3.170 1.00 8.80 C ATOM 147 O GLN A 72 -7.674 8.501 3.575 1.00 8.95 O ATOM 148 CB GLN A 72 -10.600 9.339 4.788 1.00 9.58 C ATOM 149 CG GLN A 72 -11.316 10.503 5.454 1.00 10.51 C ATOM 150 CD GLN A 72 -10.356 11.487 6.096 1.00 11.48 C ATOM 151 OE1 GLN A 72 -9.970 11.330 7.254 1.00 11.74 O ATOM 152 NE2 GLN A 72 -9.965 12.508 5.353 1.00 12.15 N ATOM 0 H GLN A 72 -11.555 10.108 2.650 1.00 10.10 H new ATOM 0 HA GLN A 72 -9.080 10.579 3.923 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -11.340 8.617 4.442 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -9.981 8.832 5.528 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -11.923 11.024 4.713 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -11.998 10.119 6.212 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -10.307 12.604 4.397 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -9.321 13.200 5.736 1.00 12.15 H new ATOM 161 N LEU A 73 -9.385 7.720 2.336 1.00 7.83 N ATOM 162 CA LEU A 73 -8.640 6.572 1.834 1.00 6.88 C ATOM 163 C LEU A 73 -7.563 7.017 0.852 1.00 7.64 C ATOM 164 O LEU A 73 -6.440 6.508 0.874 1.00 7.45 O ATOM 165 CB LEU A 73 -9.583 5.568 1.168 1.00 5.88 C ATOM 166 CG LEU A 73 -10.398 4.704 2.131 1.00 5.07 C ATOM 167 CD1 LEU A 73 -11.159 3.634 1.368 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.492 4.071 3.175 1.00 4.47 C ATOM 0 H LEU A 73 -10.344 7.784 1.993 1.00 7.83 H new ATOM 0 HA LEU A 73 -8.156 6.085 2.680 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -10.272 6.113 0.523 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -8.995 4.912 0.525 1.00 5.88 H new ATOM 0 HG LEU A 73 -11.119 5.342 2.642 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -11.734 3.028 2.068 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -11.836 4.107 0.656 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -10.454 2.999 0.832 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -10.089 3.460 3.852 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -8.749 3.445 2.681 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -8.988 4.854 3.742 1.00 4.47 H new ATOM 180 N ARG A 74 -7.912 7.979 0.004 1.00 8.61 N ATOM 181 CA ARG A 74 -6.984 8.519 -0.986 1.00 9.59 C ATOM 182 C ARG A 74 -5.758 9.115 -0.310 1.00 10.26 C ATOM 183 O ARG A 74 -4.623 8.880 -0.731 1.00 10.62 O ATOM 184 CB ARG A 74 -7.668 9.600 -1.823 1.00 10.58 C ATOM 185 CG ARG A 74 -8.483 9.064 -2.987 1.00 10.33 C ATOM 186 CD ARG A 74 -9.383 10.146 -3.559 1.00 11.09 C ATOM 187 NE ARG A 74 -9.815 9.850 -4.923 1.00 11.57 N ATOM 188 CZ ARG A 74 -10.870 10.422 -5.507 1.00 12.12 C ATOM 189 NH1 ARG A 74 -11.610 11.296 -4.838 1.00 12.26 N ATOM 190 NH2 ARG A 74 -11.178 10.126 -6.764 1.00 12.66 N ATOM 0 H ARG A 74 -8.839 8.404 -0.018 1.00 8.61 H new ATOM 0 HA ARG A 74 -6.672 7.699 -1.633 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -8.321 10.186 -1.176 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -6.908 10.280 -2.209 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -7.815 8.692 -3.764 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -9.087 8.220 -2.655 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -10.259 10.261 -2.921 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -8.853 11.099 -3.548 1.00 11.09 H new ATOM 0 HE ARG A 74 -9.280 9.167 -5.460 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -11.373 11.533 -3.874 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -12.416 11.731 -5.287 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -10.608 9.460 -7.286 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -11.985 10.564 -7.208 1.00 12.66 H new ATOM 204 N ASP A 75 -6.001 9.880 0.748 1.00 10.54 N ATOM 205 CA ASP A 75 -4.931 10.532 1.495 1.00 11.27 C ATOM 206 C ASP A 75 -4.093 9.511 2.259 1.00 10.44 C ATOM 207 O ASP A 75 -2.912 9.739 2.537 1.00 10.88 O ATOM 208 CB ASP A 75 -5.516 11.566 2.461 1.00 11.97 C ATOM 209 CG ASP A 75 -4.444 12.386 3.145 1.00 12.96 C ATOM 210 OD1 ASP A 75 -3.605 12.987 2.441 1.00 13.34 O ATOM 211 OD2 ASP A 75 -4.431 12.436 4.394 1.00 13.39 O ATOM 0 H ASP A 75 -6.936 10.065 1.110 1.00 10.54 H new ATOM 0 HA ASP A 75 -4.280 11.039 0.783 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -6.186 12.231 1.916 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -6.116 11.057 3.215 1.00 11.97 H new ATOM 216 N MET A 76 -4.710 8.385 2.598 1.00 9.25 N ATOM 217 CA MET A 76 -4.019 7.326 3.316 1.00 8.38 C ATOM 218 C MET A 76 -3.091 6.573 2.373 1.00 8.05 C ATOM 219 O MET A 76 -1.895 6.435 2.641 1.00 7.84 O ATOM 220 CB MET A 76 -5.021 6.361 3.959 1.00 7.29 C ATOM 221 CG MET A 76 -4.410 5.457 5.024 1.00 7.05 C ATOM 222 SD MET A 76 -3.600 3.996 4.341 1.00 6.11 S ATOM 223 CE MET A 76 -4.996 3.130 3.625 1.00 6.19 C ATOM 0 H MET A 76 -5.687 8.184 2.386 1.00 9.25 H new ATOM 0 HA MET A 76 -3.425 7.779 4.110 1.00 8.38 H new ATOM 0 HB2 MET A 76 -5.830 6.938 4.406 1.00 7.29 H new ATOM 0 HB3 MET A 76 -5.464 5.741 3.180 1.00 7.29 H new ATOM 0 HG2 MET A 76 -3.685 6.028 5.603 1.00 7.05 H new ATOM 0 HG3 MET A 76 -5.192 5.141 5.715 1.00 7.05 H new ATOM 0 HE1 MET A 76 -4.989 2.092 3.957 1.00 6.19 H new ATOM 0 HE2 MET A 76 -5.923 3.607 3.944 1.00 6.19 H new ATOM 0 HE3 MET A 76 -4.927 3.164 2.538 1.00 6.19 H new ATOM 233 N GLY A 77 -3.637 6.104 1.258 1.00 8.19 N ATOM 234 CA GLY A 77 -2.828 5.374 0.306 1.00 8.26 C ATOM 235 C GLY A 77 -3.629 4.714 -0.804 1.00 7.78 C ATOM 236 O GLY A 77 -3.055 4.121 -1.715 1.00 8.03 O ATOM 0 H GLY A 77 -4.617 6.215 0.999 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -2.103 6.056 -0.138 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -2.262 4.609 0.837 1.00 8.26 H new ATOM 240 N ILE A 78 -4.951 4.806 -0.747 1.00 7.25 N ATOM 241 CA ILE A 78 -5.779 4.190 -1.775 1.00 6.87 C ATOM 242 C ILE A 78 -5.979 5.148 -2.944 1.00 7.92 C ATOM 243 O ILE A 78 -6.826 6.038 -2.897 1.00 8.11 O ATOM 244 CB ILE A 78 -7.152 3.742 -1.233 1.00 5.66 C ATOM 245 CG1 ILE A 78 -7.004 3.064 0.134 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.819 2.798 -2.221 1.00 5.39 C ATOM 247 CD1 ILE A 78 -6.147 1.814 0.119 1.00 4.22 C ATOM 0 H ILE A 78 -5.466 5.292 -0.013 1.00 7.25 H new ATOM 0 HA ILE A 78 -5.249 3.300 -2.115 1.00 6.87 H new ATOM 0 HB ILE A 78 -7.778 4.625 -1.108 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -6.573 3.778 0.836 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.995 2.807 0.509 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.788 2.487 -1.830 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -7.959 3.308 -3.174 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -7.189 1.921 -2.369 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -6.094 1.397 1.125 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -6.587 1.079 -0.556 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -5.143 2.065 -0.223 1.00 4.22 H new ATOM 259 N GLN A 79 -5.182 4.958 -3.987 1.00 8.74 N ATOM 260 CA GLN A 79 -5.244 5.795 -5.182 1.00 9.84 C ATOM 261 C GLN A 79 -6.438 5.418 -6.068 1.00 9.63 C ATOM 262 O GLN A 79 -6.796 6.144 -6.996 1.00 10.41 O ATOM 263 CB GLN A 79 -3.934 5.659 -5.967 1.00 10.93 C ATOM 264 CG GLN A 79 -3.854 6.542 -7.200 1.00 11.98 C ATOM 265 CD GLN A 79 -2.595 6.302 -8.006 1.00 12.64 C ATOM 266 OE1 GLN A 79 -2.549 5.416 -8.861 1.00 12.98 O ATOM 267 NE2 GLN A 79 -1.568 7.090 -7.750 1.00 12.99 N ATOM 0 H GLN A 79 -4.476 4.223 -4.031 1.00 8.74 H new ATOM 0 HA GLN A 79 -5.379 6.831 -4.872 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -3.101 5.900 -5.307 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -3.811 4.619 -6.270 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -4.725 6.360 -7.830 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -3.893 7.588 -6.897 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -1.645 7.812 -7.034 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -0.697 6.977 -8.268 1.00 12.99 H new ATOM 276 N ASP A 80 -7.063 4.288 -5.772 1.00 8.64 N ATOM 277 CA ASP A 80 -8.206 3.831 -6.557 1.00 8.48 C ATOM 278 C ASP A 80 -9.513 4.094 -5.823 1.00 7.69 C ATOM 279 O ASP A 80 -9.878 3.364 -4.897 1.00 6.59 O ATOM 280 CB ASP A 80 -8.084 2.340 -6.880 1.00 8.02 C ATOM 281 CG ASP A 80 -7.367 2.088 -8.192 1.00 9.04 C ATOM 282 OD1 ASP A 80 -7.615 2.831 -9.164 1.00 9.63 O ATOM 283 OD2 ASP A 80 -6.542 1.149 -8.254 1.00 9.40 O ATOM 0 H ASP A 80 -6.803 3.673 -5.001 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.210 4.394 -7.490 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.547 1.839 -6.074 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -9.079 1.898 -6.923 1.00 8.02 H new ATOM 288 N ASP A 81 -10.220 5.134 -6.241 1.00 8.34 N ATOM 289 CA ASP A 81 -11.491 5.491 -5.616 1.00 7.85 C ATOM 290 C ASP A 81 -12.578 4.480 -5.983 1.00 7.35 C ATOM 291 O ASP A 81 -13.504 4.250 -5.206 1.00 6.42 O ATOM 292 CB ASP A 81 -11.925 6.907 -6.011 1.00 8.97 C ATOM 293 CG ASP A 81 -12.561 6.972 -7.385 1.00 9.79 C ATOM 294 OD1 ASP A 81 -11.818 7.012 -8.388 1.00 10.41 O ATOM 295 OD2 ASP A 81 -13.807 6.982 -7.468 1.00 9.98 O ATOM 0 H ASP A 81 -9.939 5.745 -7.008 1.00 8.34 H new ATOM 0 HA ASP A 81 -11.346 5.470 -4.536 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -12.632 7.283 -5.272 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -11.057 7.566 -5.987 1.00 8.97 H new ATOM 300 N GLU A 82 -12.451 3.868 -7.161 1.00 8.08 N ATOM 301 CA GLU A 82 -13.416 2.870 -7.608 1.00 7.93 C ATOM 302 C GLU A 82 -13.381 1.682 -6.661 1.00 6.97 C ATOM 303 O GLU A 82 -14.420 1.160 -6.253 1.00 6.36 O ATOM 304 CB GLU A 82 -13.106 2.416 -9.039 1.00 9.21 C ATOM 305 CG GLU A 82 -14.030 1.320 -9.555 1.00 9.80 C ATOM 306 CD GLU A 82 -13.309 0.004 -9.784 1.00 10.67 C ATOM 307 OE1 GLU A 82 -12.061 0.003 -9.836 1.00 11.24 O ATOM 308 OE2 GLU A 82 -13.986 -1.034 -9.921 1.00 10.93 O ATOM 0 H GLU A 82 -11.692 4.047 -7.818 1.00 8.08 H new ATOM 0 HA GLU A 82 -14.412 3.312 -7.604 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -13.173 3.276 -9.705 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -12.077 2.059 -9.081 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -14.839 1.167 -8.841 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -14.487 1.646 -10.489 1.00 9.80 H new ATOM 315 N LEU A 83 -12.171 1.280 -6.297 1.00 6.96 N ATOM 316 CA LEU A 83 -11.977 0.168 -5.385 1.00 6.31 C ATOM 317 C LEU A 83 -12.431 0.561 -3.983 1.00 4.93 C ATOM 318 O LEU A 83 -12.988 -0.253 -3.251 1.00 4.43 O ATOM 319 CB LEU A 83 -10.504 -0.255 -5.377 1.00 6.75 C ATOM 320 CG LEU A 83 -10.237 -1.765 -5.442 1.00 7.08 C ATOM 321 CD1 LEU A 83 -10.263 -2.371 -4.052 1.00 6.18 C ATOM 322 CD2 LEU A 83 -11.245 -2.459 -6.347 1.00 7.88 C ATOM 0 H LEU A 83 -11.306 1.712 -6.623 1.00 6.96 H new ATOM 0 HA LEU A 83 -12.577 -0.678 -5.720 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -10.006 0.219 -6.223 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -10.039 0.138 -4.473 1.00 6.75 H new ATOM 0 HG LEU A 83 -9.244 -1.914 -5.866 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -10.072 -3.442 -4.118 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -9.495 -1.903 -3.436 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -11.241 -2.204 -3.601 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -11.033 -3.528 -6.375 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -12.252 -2.299 -5.961 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -11.173 -2.048 -7.354 1.00 7.88 H new ATOM 334 N SER A 84 -12.206 1.824 -3.628 1.00 4.61 N ATOM 335 CA SER A 84 -12.611 2.331 -2.323 1.00 3.54 C ATOM 336 C SER A 84 -14.130 2.251 -2.183 1.00 3.20 C ATOM 337 O SER A 84 -14.644 1.767 -1.179 1.00 2.40 O ATOM 338 CB SER A 84 -12.144 3.779 -2.142 1.00 4.04 C ATOM 339 OG SER A 84 -10.749 3.907 -2.360 1.00 4.41 O ATOM 0 H SER A 84 -11.747 2.512 -4.225 1.00 4.61 H new ATOM 0 HA SER A 84 -12.147 1.717 -1.551 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.682 4.425 -2.835 1.00 4.04 H new ATOM 0 HB3 SER A 84 -12.388 4.118 -1.135 1.00 4.04 H new ATOM 0 HG SER A 84 -10.550 3.753 -3.307 1.00 4.41 H new ATOM 345 N LEU A 85 -14.838 2.716 -3.207 1.00 4.01 N ATOM 346 CA LEU A 85 -16.295 2.691 -3.212 1.00 3.84 C ATOM 347 C LEU A 85 -16.797 1.253 -3.095 1.00 3.28 C ATOM 348 O LEU A 85 -17.702 0.963 -2.313 1.00 2.78 O ATOM 349 CB LEU A 85 -16.823 3.339 -4.501 1.00 4.96 C ATOM 350 CG LEU A 85 -18.124 4.148 -4.375 1.00 5.14 C ATOM 351 CD1 LEU A 85 -19.275 3.276 -3.910 1.00 4.60 C ATOM 352 CD2 LEU A 85 -17.942 5.324 -3.433 1.00 5.12 C ATOM 0 H LEU A 85 -14.423 3.117 -4.048 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.664 3.257 -2.357 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -16.048 3.997 -4.895 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.980 2.553 -5.240 1.00 4.96 H new ATOM 0 HG LEU A 85 -18.367 4.531 -5.366 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -20.180 3.879 -3.831 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -19.436 2.472 -4.629 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -19.038 2.849 -2.935 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -18.876 5.880 -3.361 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -17.660 4.959 -2.445 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.159 5.978 -3.815 1.00 5.12 H new ATOM 364 N ARG A 86 -16.187 0.357 -3.866 1.00 3.88 N ATOM 365 CA ARG A 86 -16.561 -1.055 -3.860 1.00 4.19 C ATOM 366 C ARG A 86 -16.404 -1.662 -2.468 1.00 3.70 C ATOM 367 O ARG A 86 -17.342 -2.251 -1.928 1.00 3.99 O ATOM 368 CB ARG A 86 -15.701 -1.833 -4.858 1.00 5.40 C ATOM 369 CG ARG A 86 -16.110 -1.638 -6.307 1.00 6.27 C ATOM 370 CD ARG A 86 -15.025 -2.109 -7.260 1.00 7.50 C ATOM 371 NE ARG A 86 -14.822 -3.559 -7.213 1.00 8.08 N ATOM 372 CZ ARG A 86 -14.264 -4.265 -8.200 1.00 9.13 C ATOM 373 NH1 ARG A 86 -13.827 -3.656 -9.298 1.00 9.71 N ATOM 374 NH2 ARG A 86 -14.142 -5.583 -8.088 1.00 9.73 N ATOM 0 H ARG A 86 -15.427 0.585 -4.507 1.00 3.88 H new ATOM 0 HA ARG A 86 -17.609 -1.124 -4.151 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -14.661 -1.529 -4.740 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.752 -2.895 -4.616 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -17.031 -2.187 -6.503 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -16.322 -0.584 -6.488 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -15.288 -1.816 -8.276 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -14.089 -1.607 -7.015 1.00 7.50 H new ATOM 0 HE ARG A 86 -15.125 -4.059 -6.377 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -13.917 -2.644 -9.390 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -13.402 -4.201 -10.048 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -14.475 -6.056 -7.248 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -13.716 -6.122 -8.842 1.00 9.73 H new ATOM 388 N ALA A 87 -15.218 -1.506 -1.896 1.00 3.29 N ATOM 389 CA ALA A 87 -14.922 -2.041 -0.576 1.00 3.24 C ATOM 390 C ALA A 87 -15.788 -1.398 0.503 1.00 2.92 C ATOM 391 O ALA A 87 -16.281 -2.085 1.401 1.00 3.77 O ATOM 392 CB ALA A 87 -13.448 -1.856 -0.260 1.00 2.94 C ATOM 0 H ALA A 87 -14.440 -1.009 -2.330 1.00 3.29 H new ATOM 0 HA ALA A 87 -15.155 -3.106 -0.585 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -13.235 -2.259 0.730 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.848 -2.382 -1.003 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -13.202 -0.794 -0.280 1.00 2.94 H new ATOM 398 N LEU A 88 -15.974 -0.085 0.412 1.00 2.29 N ATOM 399 CA LEU A 88 -16.785 0.648 1.382 1.00 2.80 C ATOM 400 C LEU A 88 -18.225 0.153 1.355 1.00 3.31 C ATOM 401 O LEU A 88 -18.814 -0.126 2.397 1.00 4.23 O ATOM 402 CB LEU A 88 -16.746 2.152 1.090 1.00 2.96 C ATOM 403 CG LEU A 88 -15.883 2.990 2.040 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.471 2.991 3.441 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.453 2.480 2.067 1.00 3.12 C ATOM 0 H LEU A 88 -15.574 0.496 -0.325 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.369 0.472 2.374 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.381 2.297 0.073 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -17.766 2.536 1.120 1.00 2.96 H new ATOM 0 HG LEU A 88 -15.873 4.015 1.668 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -15.843 3.592 4.099 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.476 3.413 3.414 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.517 1.969 3.817 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -13.861 3.091 2.748 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.442 1.444 2.407 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.027 2.538 1.065 1.00 3.12 H new ATOM 417 N GLN A 89 -18.774 0.032 0.155 1.00 2.99 N ATOM 418 CA GLN A 89 -20.141 -0.439 -0.027 1.00 3.54 C ATOM 419 C GLN A 89 -20.284 -1.879 0.464 1.00 4.52 C ATOM 420 O GLN A 89 -21.285 -2.238 1.085 1.00 5.29 O ATOM 421 CB GLN A 89 -20.530 -0.348 -1.504 1.00 3.40 C ATOM 422 CG GLN A 89 -21.947 -0.806 -1.797 1.00 3.28 C ATOM 423 CD GLN A 89 -22.179 -1.063 -3.271 1.00 3.90 C ATOM 424 OE1 GLN A 89 -22.564 -0.165 -4.021 1.00 4.41 O ATOM 425 NE2 GLN A 89 -21.943 -2.291 -3.698 1.00 4.33 N ATOM 0 H GLN A 89 -18.290 0.255 -0.714 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.808 0.193 0.559 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -20.416 0.684 -1.836 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -19.836 -0.950 -2.090 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -22.155 -1.717 -1.235 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -22.650 -0.049 -1.448 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -21.625 -3.006 -3.044 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -22.079 -2.524 -4.682 1.00 4.33 H new ATOM 434 N ALA A 90 -19.257 -2.680 0.209 1.00 4.72 N ATOM 435 CA ALA A 90 -19.246 -4.085 0.603 1.00 5.90 C ATOM 436 C ALA A 90 -19.206 -4.252 2.120 1.00 6.49 C ATOM 437 O ALA A 90 -19.561 -5.308 2.647 1.00 7.58 O ATOM 438 CB ALA A 90 -18.063 -4.794 -0.036 1.00 6.16 C ATOM 0 H ALA A 90 -18.412 -2.377 -0.274 1.00 4.72 H new ATOM 0 HA ALA A 90 -20.174 -4.535 0.250 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -18.062 -5.842 0.263 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -18.141 -4.726 -1.121 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -17.136 -4.323 0.291 1.00 6.16 H new ATOM 444 N THR A 91 -18.778 -3.213 2.817 1.00 5.96 N ATOM 445 CA THR A 91 -18.698 -3.253 4.268 1.00 6.79 C ATOM 446 C THR A 91 -19.708 -2.298 4.893 1.00 7.26 C ATOM 447 O THR A 91 -19.663 -2.022 6.095 1.00 8.28 O ATOM 448 CB THR A 91 -17.281 -2.889 4.750 1.00 6.34 C ATOM 449 OG1 THR A 91 -16.810 -1.730 4.051 1.00 5.23 O ATOM 450 CG2 THR A 91 -16.322 -4.048 4.528 1.00 6.30 C ATOM 0 H THR A 91 -18.480 -2.330 2.401 1.00 5.96 H new ATOM 0 HA THR A 91 -18.929 -4.271 4.582 1.00 6.79 H new ATOM 0 HB THR A 91 -17.325 -2.675 5.818 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.512 -1.988 3.154 1.00 5.23 H new ATOM 0 HG21 THR A 91 -15.327 -3.769 4.876 1.00 6.30 H new ATOM 0 HG22 THR A 91 -16.669 -4.919 5.084 1.00 6.30 H new ATOM 0 HG23 THR A 91 -16.281 -4.288 3.466 1.00 6.30 H new ATOM 458 N GLY A 92 -20.620 -1.794 4.068 1.00 6.62 N ATOM 459 CA GLY A 92 -21.627 -0.867 4.545 1.00 7.16 C ATOM 460 C GLY A 92 -21.111 0.558 4.584 1.00 7.11 C ATOM 461 O GLY A 92 -21.668 1.449 3.936 1.00 7.79 O ATOM 0 H GLY A 92 -20.679 -2.013 3.073 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.503 -0.918 3.898 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -21.950 -1.164 5.543 1.00 7.16 H new ATOM 465 N GLY A 93 -20.040 0.765 5.336 1.00 6.52 N ATOM 466 CA GLY A 93 -19.446 2.081 5.450 1.00 6.76 C ATOM 467 C GLY A 93 -18.327 2.109 6.468 1.00 7.35 C ATOM 468 O GLY A 93 -18.321 2.940 7.376 1.00 8.35 O ATOM 0 H GLY A 93 -19.568 0.038 5.874 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.061 2.391 4.479 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.213 2.802 5.733 1.00 6.76 H new ATOM 472 N ASP A 94 -17.373 1.201 6.321 1.00 6.83 N ATOM 473 CA ASP A 94 -16.252 1.124 7.246 1.00 7.34 C ATOM 474 C ASP A 94 -14.933 1.300 6.500 1.00 6.34 C ATOM 475 O ASP A 94 -14.784 0.825 5.376 1.00 5.39 O ATOM 476 CB ASP A 94 -16.264 -0.215 7.984 1.00 8.06 C ATOM 477 CG ASP A 94 -15.415 -0.192 9.238 1.00 8.93 C ATOM 478 OD1 ASP A 94 -14.176 -0.326 9.131 1.00 9.06 O ATOM 479 OD2 ASP A 94 -15.980 -0.040 10.342 1.00 9.60 O ATOM 0 H ASP A 94 -17.353 0.509 5.572 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.350 1.928 7.975 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.290 -0.472 8.248 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -15.901 -0.997 7.317 1.00 8.06 H new ATOM 484 N ILE A 95 -13.982 1.969 7.135 1.00 6.69 N ATOM 485 CA ILE A 95 -12.678 2.225 6.531 1.00 5.90 C ATOM 486 C ILE A 95 -11.749 1.014 6.650 1.00 5.73 C ATOM 487 O ILE A 95 -11.336 0.436 5.643 1.00 4.72 O ATOM 488 CB ILE A 95 -12.010 3.462 7.177 1.00 6.68 C ATOM 489 CG1 ILE A 95 -12.820 4.728 6.879 1.00 7.07 C ATOM 490 CG2 ILE A 95 -10.576 3.624 6.694 1.00 6.13 C ATOM 491 CD1 ILE A 95 -12.909 5.072 5.406 1.00 6.13 C ATOM 0 H ILE A 95 -14.088 2.348 8.076 1.00 6.69 H new ATOM 0 HA ILE A 95 -12.847 2.419 5.472 1.00 5.90 H new ATOM 0 HB ILE A 95 -11.989 3.307 8.256 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -13.828 4.603 7.274 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -12.372 5.567 7.411 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -10.131 4.501 7.164 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -10.000 2.738 6.960 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -10.569 3.749 5.611 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -13.498 5.980 5.279 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -11.907 5.231 5.008 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -13.386 4.252 4.869 1.00 6.13 H new ATOM 503 N GLN A 96 -11.441 0.621 7.881 1.00 6.84 N ATOM 504 CA GLN A 96 -10.546 -0.506 8.124 1.00 7.04 C ATOM 505 C GLN A 96 -11.112 -1.809 7.581 1.00 6.72 C ATOM 506 O GLN A 96 -10.379 -2.611 7.001 1.00 6.21 O ATOM 507 CB GLN A 96 -10.249 -0.656 9.617 1.00 8.47 C ATOM 508 CG GLN A 96 -8.942 -0.003 10.042 1.00 8.96 C ATOM 509 CD GLN A 96 -7.739 -0.539 9.282 1.00 9.42 C ATOM 510 OE1 GLN A 96 -6.792 0.197 9.005 1.00 9.63 O ATOM 511 NE2 GLN A 96 -7.748 -1.825 8.958 1.00 9.81 N ATOM 0 H GLN A 96 -11.798 1.066 8.727 1.00 6.84 H new ATOM 0 HA GLN A 96 -9.618 -0.292 7.593 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -11.068 -0.219 10.188 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -10.215 -1.716 9.868 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -9.013 1.074 9.888 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -8.792 -0.163 11.110 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -8.549 -2.407 9.203 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -6.954 -2.232 8.464 1.00 9.81 H new ATOM 520 N ALA A 97 -12.413 -2.019 7.751 1.00 7.19 N ATOM 521 CA ALA A 97 -13.046 -3.242 7.269 1.00 7.30 C ATOM 522 C ALA A 97 -12.883 -3.375 5.762 1.00 6.10 C ATOM 523 O ALA A 97 -12.710 -4.477 5.240 1.00 6.26 O ATOM 524 CB ALA A 97 -14.516 -3.279 7.651 1.00 8.11 C ATOM 0 H ALA A 97 -13.045 -1.366 8.214 1.00 7.19 H new ATOM 0 HA ALA A 97 -12.549 -4.088 7.745 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.965 -4.200 7.280 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -14.611 -3.240 8.736 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -15.028 -2.423 7.211 1.00 8.11 H new ATOM 530 N ALA A 98 -12.921 -2.241 5.074 1.00 5.11 N ATOM 531 CA ALA A 98 -12.768 -2.207 3.628 1.00 3.96 C ATOM 532 C ALA A 98 -11.338 -2.574 3.239 1.00 3.50 C ATOM 533 O ALA A 98 -11.114 -3.346 2.304 1.00 3.58 O ATOM 534 CB ALA A 98 -13.128 -0.825 3.099 1.00 3.13 C ATOM 0 H ALA A 98 -13.058 -1.325 5.501 1.00 5.11 H new ATOM 0 HA ALA A 98 -13.443 -2.938 3.183 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -13.011 -0.808 2.015 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -14.162 -0.595 3.356 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.469 -0.081 3.547 1.00 3.13 H new ATOM 540 N LEU A 99 -10.376 -2.031 3.980 1.00 3.43 N ATOM 541 CA LEU A 99 -8.963 -2.296 3.725 1.00 3.02 C ATOM 542 C LEU A 99 -8.644 -3.767 3.974 1.00 3.99 C ATOM 543 O LEU A 99 -7.946 -4.406 3.188 1.00 3.99 O ATOM 544 CB LEU A 99 -8.086 -1.412 4.616 1.00 3.22 C ATOM 545 CG LEU A 99 -8.353 0.088 4.511 1.00 2.80 C ATOM 546 CD1 LEU A 99 -7.472 0.851 5.483 1.00 3.12 C ATOM 547 CD2 LEU A 99 -8.129 0.573 3.085 1.00 2.72 C ATOM 0 H LEU A 99 -10.550 -1.403 4.764 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.752 -2.063 2.681 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.226 -1.718 5.653 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -7.041 -1.597 4.367 1.00 3.22 H new ATOM 0 HG LEU A 99 -9.395 0.274 4.773 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -7.674 1.919 5.396 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -7.684 0.523 6.501 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -6.424 0.660 5.251 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -8.324 1.644 3.030 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -7.098 0.377 2.792 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -8.805 0.046 2.411 1.00 2.72 H new ATOM 559 N GLU A 100 -9.173 -4.300 5.067 1.00 5.11 N ATOM 560 CA GLU A 100 -8.957 -5.697 5.422 1.00 6.25 C ATOM 561 C GLU A 100 -9.688 -6.620 4.450 1.00 6.58 C ATOM 562 O GLU A 100 -9.314 -7.781 4.276 1.00 7.26 O ATOM 563 CB GLU A 100 -9.428 -5.958 6.852 1.00 7.44 C ATOM 564 CG GLU A 100 -8.641 -5.187 7.898 1.00 7.73 C ATOM 565 CD GLU A 100 -9.304 -5.211 9.259 1.00 8.52 C ATOM 566 OE1 GLU A 100 -9.509 -6.317 9.804 1.00 8.97 O ATOM 567 OE2 GLU A 100 -9.613 -4.125 9.795 1.00 8.88 O ATOM 0 H GLU A 100 -9.757 -3.784 5.726 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.889 -5.906 5.358 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -10.482 -5.693 6.933 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -9.350 -7.025 7.063 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -7.639 -5.609 7.978 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -8.526 -4.153 7.572 1.00 7.73 H new ATOM 574 N LEU A 101 -10.730 -6.092 3.821 1.00 6.27 N ATOM 575 CA LEU A 101 -11.518 -6.851 2.858 1.00 6.77 C ATOM 576 C LEU A 101 -10.687 -7.144 1.611 1.00 6.45 C ATOM 577 O LEU A 101 -10.582 -8.290 1.173 1.00 7.40 O ATOM 578 CB LEU A 101 -12.786 -6.061 2.490 1.00 6.50 C ATOM 579 CG LEU A 101 -13.890 -6.827 1.741 1.00 7.42 C ATOM 580 CD1 LEU A 101 -13.626 -6.840 0.241 1.00 8.33 C ATOM 581 CD2 LEU A 101 -14.027 -8.246 2.273 1.00 8.03 C ATOM 0 H LEU A 101 -11.051 -5.134 3.962 1.00 6.27 H new ATOM 0 HA LEU A 101 -11.812 -7.801 3.304 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -13.215 -5.660 3.409 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -12.489 -5.209 1.878 1.00 6.50 H new ATOM 0 HG LEU A 101 -14.831 -6.306 1.915 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -14.422 -7.388 -0.264 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -13.597 -5.816 -0.132 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -12.670 -7.325 0.044 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.814 -8.765 1.726 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -13.084 -8.776 2.142 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -14.281 -8.214 3.332 1.00 8.03 H new ATOM 593 N ILE A 102 -10.077 -6.105 1.058 1.00 5.30 N ATOM 594 CA ILE A 102 -9.267 -6.253 -0.144 1.00 5.26 C ATOM 595 C ILE A 102 -7.921 -6.896 0.168 1.00 5.93 C ATOM 596 O ILE A 102 -7.253 -7.413 -0.727 1.00 6.78 O ATOM 597 CB ILE A 102 -9.049 -4.900 -0.852 1.00 4.06 C ATOM 598 CG1 ILE A 102 -8.235 -3.943 0.027 1.00 3.48 C ATOM 599 CG2 ILE A 102 -10.389 -4.285 -1.212 1.00 4.62 C ATOM 600 CD1 ILE A 102 -7.872 -2.641 -0.659 1.00 2.57 C ATOM 0 H ILE A 102 -10.127 -5.153 1.421 1.00 5.30 H new ATOM 0 HA ILE A 102 -9.819 -6.909 -0.817 1.00 5.26 H new ATOM 0 HB ILE A 102 -8.482 -5.075 -1.766 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -8.804 -3.721 0.930 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -7.320 -4.444 0.342 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -10.228 -3.330 -1.712 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -10.930 -4.957 -1.878 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -10.972 -4.126 -0.305 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -7.297 -2.017 0.025 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -7.275 -2.851 -1.546 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.782 -2.117 -0.950 1.00 2.57 H new ATOM 612 N PHE A 103 -7.543 -6.882 1.445 1.00 5.72 N ATOM 613 CA PHE A 103 -6.283 -7.473 1.892 1.00 6.33 C ATOM 614 C PHE A 103 -6.258 -8.972 1.592 1.00 7.75 C ATOM 615 O PHE A 103 -5.205 -9.543 1.314 1.00 8.49 O ATOM 616 CB PHE A 103 -6.090 -7.223 3.395 1.00 5.96 C ATOM 617 CG PHE A 103 -4.789 -7.739 3.951 1.00 6.06 C ATOM 618 CD1 PHE A 103 -3.579 -7.215 3.525 1.00 6.20 C ATOM 619 CD2 PHE A 103 -4.780 -8.742 4.906 1.00 6.17 C ATOM 620 CE1 PHE A 103 -2.385 -7.684 4.041 1.00 6.41 C ATOM 621 CE2 PHE A 103 -3.590 -9.214 5.426 1.00 6.39 C ATOM 622 CZ PHE A 103 -2.389 -8.683 4.992 1.00 6.50 C ATOM 0 H PHE A 103 -8.096 -6.464 2.193 1.00 5.72 H new ATOM 0 HA PHE A 103 -5.463 -7.002 1.349 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -6.151 -6.151 3.583 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -6.913 -7.689 3.937 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -3.568 -6.432 2.782 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -5.715 -9.160 5.249 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -1.449 -7.268 3.699 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -3.598 -9.997 6.170 1.00 6.39 H new ATOM 0 HZ PHE A 103 -1.457 -9.049 5.397 1.00 6.50 H new ATOM 632 N ALA A 104 -7.428 -9.598 1.644 1.00 8.21 N ATOM 633 CA ALA A 104 -7.550 -11.024 1.375 1.00 9.59 C ATOM 634 C ALA A 104 -8.270 -11.266 0.054 1.00 10.06 C ATOM 635 O ALA A 104 -8.531 -12.410 -0.326 1.00 10.71 O ATOM 636 CB ALA A 104 -8.282 -11.713 2.515 1.00 10.13 C ATOM 0 H ALA A 104 -8.309 -9.137 1.871 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.548 -11.447 1.297 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -8.367 -12.779 2.302 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -7.727 -11.572 3.442 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.278 -11.284 2.620 1.00 10.13 H new ATOM 642 N GLY A 105 -8.572 -10.182 -0.653 1.00 9.88 N ATOM 643 CA GLY A 105 -9.263 -10.293 -1.923 1.00 10.43 C ATOM 644 C GLY A 105 -10.715 -10.695 -1.754 1.00 10.44 C ATOM 645 O GLY A 105 -11.222 -11.537 -2.496 1.00 11.29 O ATOM 0 H GLY A 105 -8.350 -9.228 -0.368 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -9.211 -9.339 -2.447 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -8.755 -11.028 -2.548 1.00 10.43 H new ATOM 649 N GLY A 106 -11.381 -10.097 -0.777 1.00 9.61 N ATOM 650 CA GLY A 106 -12.772 -10.415 -0.527 1.00 9.65 C ATOM 651 C GLY A 106 -12.911 -11.586 0.420 1.00 9.16 C ATOM 652 O GLY A 106 -12.207 -11.660 1.431 1.00 8.46 O ATOM 0 H GLY A 106 -10.982 -9.396 -0.152 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -13.276 -9.544 -0.107 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -13.268 -10.647 -1.469 1.00 9.65 H new ATOM 656 N ALA A 107 -13.820 -12.495 0.106 1.00 9.69 N ATOM 657 CA ALA A 107 -14.031 -13.674 0.927 1.00 9.44 C ATOM 658 C ALA A 107 -13.302 -14.863 0.313 1.00 10.28 C ATOM 659 O ALA A 107 -13.729 -15.394 -0.711 1.00 11.13 O ATOM 660 CB ALA A 107 -15.519 -13.968 1.066 1.00 9.49 C ATOM 0 H ALA A 107 -14.424 -12.438 -0.714 1.00 9.69 H new ATOM 0 HA ALA A 107 -13.630 -13.491 1.924 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -15.658 -14.855 1.684 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -16.016 -13.118 1.533 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -15.949 -14.142 0.080 1.00 9.49 H new ATOM 666 N PRO A 108 -12.178 -15.279 0.908 1.00 10.24 N ATOM 667 CA PRO A 108 -11.389 -16.398 0.403 1.00 11.19 C ATOM 668 C PRO A 108 -11.976 -17.750 0.802 1.00 11.68 C ATOM 669 O PRO A 108 -11.946 -18.091 1.999 1.00 12.15 O ATOM 670 CB PRO A 108 -10.023 -16.182 1.047 1.00 11.08 C ATOM 671 CG PRO A 108 -10.297 -15.446 2.316 1.00 10.16 C ATOM 672 CD PRO A 108 -11.588 -14.689 2.122 1.00 9.48 C ATOM 673 OXT PRO A 108 -12.470 -18.469 -0.091 1.00 11.71 O ATOM 0 HA PRO A 108 -11.358 -16.422 -0.686 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -9.526 -17.132 1.243 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -9.366 -15.608 0.393 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -10.379 -16.139 3.153 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -9.481 -14.762 2.548 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -12.249 -14.803 2.981 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -11.408 -13.621 1.998 1.00 9.48 H new TER 681 PRO A 108 ATOM 682 N MET B 1 19.632 2.115 4.958 1.00 3.94 N ATOM 683 CA MET B 1 18.759 2.598 6.048 1.00 3.71 C ATOM 684 C MET B 1 17.626 1.611 6.288 1.00 3.30 C ATOM 685 O MET B 1 17.268 0.831 5.403 1.00 3.21 O ATOM 686 CB MET B 1 18.194 3.988 5.723 1.00 3.98 C ATOM 687 CG MET B 1 17.321 4.032 4.477 1.00 3.93 C ATOM 688 SD MET B 1 16.699 5.691 4.127 1.00 4.45 S ATOM 689 CE MET B 1 15.729 5.385 2.652 1.00 4.38 C ATOM 0 H1 MET B 1 20.352 2.835 4.745 1.00 3.94 H new ATOM 0 H2 MET B 1 20.100 1.234 5.252 1.00 3.94 H new ATOM 0 H3 MET B 1 19.060 1.936 4.108 1.00 3.94 H new ATOM 0 HA MET B 1 19.357 2.678 6.956 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.610 4.339 6.574 1.00 3.98 H new ATOM 0 HB3 MET B 1 19.023 4.684 5.597 1.00 3.98 H new ATOM 0 HG2 MET B 1 17.895 3.675 3.622 1.00 3.93 H new ATOM 0 HG3 MET B 1 16.479 3.351 4.603 1.00 3.93 H new ATOM 0 HE1 MET B 1 15.396 6.334 2.232 1.00 4.38 H new ATOM 0 HE2 MET B 1 16.339 4.857 1.919 1.00 4.38 H new ATOM 0 HE3 MET B 1 14.861 4.777 2.907 1.00 4.38 H new ATOM 701 N GLN B 2 17.068 1.653 7.484 1.00 3.23 N ATOM 702 CA GLN B 2 15.988 0.760 7.864 1.00 3.03 C ATOM 703 C GLN B 2 14.632 1.419 7.633 1.00 2.89 C ATOM 704 O GLN B 2 14.382 2.537 8.091 1.00 3.18 O ATOM 705 CB GLN B 2 16.159 0.355 9.336 1.00 3.32 C ATOM 706 CG GLN B 2 14.857 0.183 10.104 1.00 3.40 C ATOM 707 CD GLN B 2 15.057 0.271 11.604 1.00 3.92 C ATOM 708 OE1 GLN B 2 15.270 -0.736 12.281 1.00 4.23 O ATOM 709 NE2 GLN B 2 15.006 1.482 12.135 1.00 4.19 N ATOM 0 H GLN B 2 17.349 2.304 8.217 1.00 3.23 H new ATOM 0 HA GLN B 2 16.027 -0.134 7.242 1.00 3.03 H new ATOM 0 HB2 GLN B 2 16.716 -0.581 9.379 1.00 3.32 H new ATOM 0 HB3 GLN B 2 16.764 1.110 9.838 1.00 3.32 H new ATOM 0 HG2 GLN B 2 14.148 0.949 9.789 1.00 3.40 H new ATOM 0 HG3 GLN B 2 14.416 -0.782 9.855 1.00 3.40 H new ATOM 0 HE21 GLN B 2 14.827 2.292 11.541 1.00 4.19 H new ATOM 0 HE22 GLN B 2 15.146 1.605 13.138 1.00 4.19 H new ATOM 718 N ILE B 3 13.773 0.731 6.896 1.00 2.59 N ATOM 719 CA ILE B 3 12.433 1.226 6.622 1.00 2.46 C ATOM 720 C ILE B 3 11.407 0.201 7.089 1.00 2.37 C ATOM 721 O ILE B 3 11.742 -0.966 7.322 1.00 2.51 O ATOM 722 CB ILE B 3 12.209 1.536 5.124 1.00 2.36 C ATOM 723 CG1 ILE B 3 12.360 0.271 4.278 1.00 2.27 C ATOM 724 CG2 ILE B 3 13.175 2.617 4.653 1.00 2.82 C ATOM 725 CD1 ILE B 3 11.735 0.384 2.906 1.00 2.38 C ATOM 0 H ILE B 3 13.981 -0.175 6.476 1.00 2.59 H new ATOM 0 HA ILE B 3 12.314 2.162 7.168 1.00 2.46 H new ATOM 0 HB ILE B 3 11.191 1.906 5.000 1.00 2.36 H new ATOM 0 HG12 ILE B 3 13.420 0.042 4.168 1.00 2.27 H new ATOM 0 HG13 ILE B 3 11.906 -0.567 4.807 1.00 2.27 H new ATOM 0 HG21 ILE B 3 13.004 2.823 3.596 1.00 2.82 H new ATOM 0 HG22 ILE B 3 13.013 3.527 5.231 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.200 2.275 4.794 1.00 2.82 H new ATOM 0 HD11 ILE B 3 11.880 -0.549 2.362 1.00 2.38 H new ATOM 0 HD12 ILE B 3 10.668 0.583 3.007 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.205 1.200 2.358 1.00 2.38 H new ATOM 737 N PHE B 4 10.168 0.634 7.236 1.00 2.37 N ATOM 738 CA PHE B 4 9.106 -0.249 7.684 1.00 2.50 C ATOM 739 C PHE B 4 8.030 -0.374 6.617 1.00 2.11 C ATOM 740 O PHE B 4 7.599 0.622 6.039 1.00 1.98 O ATOM 741 CB PHE B 4 8.487 0.273 8.983 1.00 3.07 C ATOM 742 CG PHE B 4 9.432 0.275 10.151 1.00 3.52 C ATOM 743 CD1 PHE B 4 9.646 -0.879 10.887 1.00 3.82 C ATOM 744 CD2 PHE B 4 10.107 1.431 10.513 1.00 3.79 C ATOM 745 CE1 PHE B 4 10.514 -0.881 11.964 1.00 4.25 C ATOM 746 CE2 PHE B 4 10.976 1.434 11.588 1.00 4.21 C ATOM 747 CZ PHE B 4 11.180 0.277 12.313 1.00 4.39 C ATOM 0 H PHE B 4 9.872 1.593 7.052 1.00 2.37 H new ATOM 0 HA PHE B 4 9.538 -1.233 7.867 1.00 2.50 H new ATOM 0 HB2 PHE B 4 8.126 1.288 8.819 1.00 3.07 H new ATOM 0 HB3 PHE B 4 7.619 -0.338 9.232 1.00 3.07 H new ATOM 0 HD1 PHE B 4 9.129 -1.788 10.617 1.00 3.82 H new ATOM 0 HD2 PHE B 4 9.952 2.339 9.949 1.00 3.79 H new ATOM 0 HE1 PHE B 4 10.670 -1.787 12.531 1.00 4.25 H new ATOM 0 HE2 PHE B 4 11.495 2.341 11.861 1.00 4.21 H new ATOM 0 HZ PHE B 4 11.860 0.278 13.152 1.00 4.39 H new ATOM 757 N VAL B 5 7.613 -1.597 6.345 1.00 2.12 N ATOM 758 CA VAL B 5 6.575 -1.842 5.359 1.00 1.86 C ATOM 759 C VAL B 5 5.349 -2.434 6.041 1.00 2.31 C ATOM 760 O VAL B 5 5.379 -3.569 6.519 1.00 2.88 O ATOM 761 CB VAL B 5 7.053 -2.795 4.242 1.00 1.97 C ATOM 762 CG1 VAL B 5 6.027 -2.870 3.124 1.00 1.84 C ATOM 763 CG2 VAL B 5 8.410 -2.362 3.701 1.00 1.92 C ATOM 0 H VAL B 5 7.977 -2.438 6.793 1.00 2.12 H new ATOM 0 HA VAL B 5 6.325 -0.886 4.899 1.00 1.86 H new ATOM 0 HB VAL B 5 7.163 -3.791 4.672 1.00 1.97 H new ATOM 0 HG11 VAL B 5 6.384 -3.547 2.348 1.00 1.84 H new ATOM 0 HG12 VAL B 5 5.082 -3.240 3.522 1.00 1.84 H new ATOM 0 HG13 VAL B 5 5.878 -1.877 2.700 1.00 1.84 H new ATOM 0 HG21 VAL B 5 8.725 -3.049 2.916 1.00 1.92 H new ATOM 0 HG22 VAL B 5 8.334 -1.354 3.293 1.00 1.92 H new ATOM 0 HG23 VAL B 5 9.143 -2.372 4.507 1.00 1.92 H new ATOM 773 N LYS B 6 4.287 -1.647 6.111 1.00 2.22 N ATOM 774 CA LYS B 6 3.049 -2.081 6.738 1.00 2.75 C ATOM 775 C LYS B 6 1.958 -2.224 5.687 1.00 2.53 C ATOM 776 O LYS B 6 1.805 -1.359 4.826 1.00 2.01 O ATOM 777 CB LYS B 6 2.626 -1.080 7.818 1.00 3.10 C ATOM 778 CG LYS B 6 1.371 -1.482 8.575 1.00 3.77 C ATOM 779 CD LYS B 6 1.017 -0.461 9.644 1.00 4.23 C ATOM 780 CE LYS B 6 -0.386 -0.681 10.182 1.00 4.92 C ATOM 781 NZ LYS B 6 -0.787 0.384 11.140 1.00 5.45 N ATOM 0 H LYS B 6 4.258 -0.698 5.738 1.00 2.22 H new ATOM 0 HA LYS B 6 3.209 -3.051 7.209 1.00 2.75 H new ATOM 0 HB2 LYS B 6 3.444 -0.960 8.528 1.00 3.10 H new ATOM 0 HB3 LYS B 6 2.462 -0.108 7.354 1.00 3.10 H new ATOM 0 HG2 LYS B 6 0.540 -1.583 7.877 1.00 3.77 H new ATOM 0 HG3 LYS B 6 1.520 -2.458 9.037 1.00 3.77 H new ATOM 0 HD2 LYS B 6 1.735 -0.525 10.461 1.00 4.23 H new ATOM 0 HD3 LYS B 6 1.095 0.544 9.229 1.00 4.23 H new ATOM 0 HE2 LYS B 6 -1.093 -0.708 9.353 1.00 4.92 H new ATOM 0 HE3 LYS B 6 -0.437 -1.651 10.676 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 -1.751 0.197 11.484 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 -0.128 0.393 11.945 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 -0.763 1.308 10.662 1.00 5.45 H new ATOM 795 N THR B 7 1.202 -3.310 5.761 1.00 3.04 N ATOM 796 CA THR B 7 0.143 -3.567 4.795 1.00 3.03 C ATOM 797 C THR B 7 -1.113 -2.731 5.076 1.00 3.25 C ATOM 798 O THR B 7 -1.097 -1.501 4.945 1.00 3.60 O ATOM 799 CB THR B 7 -0.220 -5.065 4.772 1.00 3.68 C ATOM 800 OG1 THR B 7 -0.475 -5.527 6.108 1.00 4.31 O ATOM 801 CG2 THR B 7 0.906 -5.883 4.153 1.00 3.69 C ATOM 0 H THR B 7 1.302 -4.027 6.479 1.00 3.04 H new ATOM 0 HA THR B 7 0.527 -3.273 3.818 1.00 3.03 H new ATOM 0 HB THR B 7 -1.117 -5.192 4.166 1.00 3.68 H new ATOM 0 HG1 THR B 7 -0.784 -6.457 6.079 1.00 4.31 H new ATOM 0 HG21 THR B 7 0.629 -6.937 4.147 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.080 -5.547 3.131 1.00 3.69 H new ATOM 0 HG23 THR B 7 1.816 -5.751 4.738 1.00 3.69 H new ATOM 809 N LEU B 8 -2.193 -3.398 5.470 1.00 3.25 N ATOM 810 CA LEU B 8 -3.457 -2.723 5.755 1.00 3.52 C ATOM 811 C LEU B 8 -4.010 -3.159 7.107 1.00 4.35 C ATOM 812 O LEU B 8 -5.070 -2.702 7.539 1.00 4.72 O ATOM 813 CB LEU B 8 -4.473 -3.023 4.648 1.00 3.31 C ATOM 814 CG LEU B 8 -4.093 -2.514 3.255 1.00 2.62 C ATOM 815 CD1 LEU B 8 -4.966 -3.165 2.195 1.00 2.63 C ATOM 816 CD2 LEU B 8 -4.216 -0.999 3.185 1.00 2.72 C ATOM 0 H LEU B 8 -2.219 -4.409 5.600 1.00 3.25 H new ATOM 0 HA LEU B 8 -3.274 -1.649 5.790 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -4.620 -4.102 4.595 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -5.431 -2.584 4.928 1.00 3.31 H new ATOM 0 HG LEU B 8 -3.054 -2.784 3.064 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -4.683 -2.792 1.211 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -4.831 -4.246 2.226 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -6.012 -2.924 2.387 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -3.942 -0.657 2.187 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -5.244 -0.707 3.398 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -3.550 -0.546 3.919 1.00 2.72 H new ATOM 828 N THR B 9 -3.288 -4.052 7.768 1.00 4.73 N ATOM 829 CA THR B 9 -3.692 -4.553 9.068 1.00 5.55 C ATOM 830 C THR B 9 -2.687 -4.125 10.134 1.00 5.75 C ATOM 831 O THR B 9 -2.753 -3.016 10.664 1.00 6.45 O ATOM 832 CB THR B 9 -3.800 -6.090 9.043 1.00 5.98 C ATOM 833 OG1 THR B 9 -2.715 -6.633 8.273 1.00 5.57 O ATOM 834 CG2 THR B 9 -5.124 -6.538 8.443 1.00 6.63 C ATOM 0 H THR B 9 -2.414 -4.445 7.420 1.00 4.73 H new ATOM 0 HA THR B 9 -4.669 -4.134 9.309 1.00 5.55 H new ATOM 0 HB THR B 9 -3.749 -6.455 10.069 1.00 5.98 H new ATOM 0 HG1 THR B 9 -2.293 -7.363 8.772 1.00 5.57 H new ATOM 0 HG21 THR B 9 -5.172 -7.627 8.439 1.00 6.63 H new ATOM 0 HG22 THR B 9 -5.946 -6.141 9.039 1.00 6.63 H new ATOM 0 HG23 THR B 9 -5.204 -6.167 7.421 1.00 6.63 H new ATOM 842 N GLY B 10 -1.752 -5.009 10.433 1.00 5.22 N ATOM 843 CA GLY B 10 -0.728 -4.712 11.409 1.00 5.46 C ATOM 844 C GLY B 10 0.611 -5.259 10.975 1.00 5.45 C ATOM 845 O GLY B 10 1.634 -4.989 11.601 1.00 5.66 O ATOM 0 H GLY B 10 -1.684 -5.936 10.013 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -0.656 -3.633 11.548 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -1.004 -5.140 12.373 1.00 5.46 H new ATOM 849 N LYS B 11 0.590 -6.021 9.886 1.00 5.32 N ATOM 850 CA LYS B 11 1.789 -6.634 9.336 1.00 5.39 C ATOM 851 C LYS B 11 2.823 -5.577 8.987 1.00 4.77 C ATOM 852 O LYS B 11 2.657 -4.820 8.029 1.00 4.21 O ATOM 853 CB LYS B 11 1.428 -7.459 8.096 1.00 5.58 C ATOM 854 CG LYS B 11 2.627 -7.986 7.322 1.00 5.83 C ATOM 855 CD LYS B 11 2.203 -8.997 6.268 1.00 6.11 C ATOM 856 CE LYS B 11 1.905 -10.357 6.881 1.00 6.82 C ATOM 857 NZ LYS B 11 3.135 -11.027 7.373 1.00 6.90 N ATOM 0 H LYS B 11 -0.260 -6.230 9.362 1.00 5.32 H new ATOM 0 HA LYS B 11 2.221 -7.293 10.089 1.00 5.39 H new ATOM 0 HB2 LYS B 11 0.810 -8.302 8.403 1.00 5.58 H new ATOM 0 HB3 LYS B 11 0.822 -6.845 7.430 1.00 5.58 H new ATOM 0 HG2 LYS B 11 3.148 -7.156 6.844 1.00 5.83 H new ATOM 0 HG3 LYS B 11 3.332 -8.450 8.011 1.00 5.83 H new ATOM 0 HD2 LYS B 11 1.318 -8.631 5.747 1.00 6.11 H new ATOM 0 HD3 LYS B 11 2.992 -9.099 5.523 1.00 6.11 H new ATOM 0 HE2 LYS B 11 1.203 -10.237 7.706 1.00 6.82 H new ATOM 0 HE3 LYS B 11 1.419 -10.991 6.139 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 2.956 -12.046 7.481 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 3.906 -10.882 6.690 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 3.406 -10.624 8.292 1.00 6.90 H new ATOM 871 N THR B 12 3.868 -5.518 9.793 1.00 4.90 N ATOM 872 CA THR B 12 4.945 -4.572 9.592 1.00 4.39 C ATOM 873 C THR B 12 6.263 -5.319 9.462 1.00 4.49 C ATOM 874 O THR B 12 6.738 -5.929 10.422 1.00 5.01 O ATOM 875 CB THR B 12 5.038 -3.575 10.762 1.00 4.56 C ATOM 876 OG1 THR B 12 3.721 -3.187 11.176 1.00 4.81 O ATOM 877 CG2 THR B 12 5.833 -2.341 10.362 1.00 4.02 C ATOM 0 H THR B 12 3.992 -6.125 10.604 1.00 4.90 H new ATOM 0 HA THR B 12 4.739 -4.013 8.679 1.00 4.39 H new ATOM 0 HB THR B 12 5.552 -4.064 11.589 1.00 4.56 H new ATOM 0 HG1 THR B 12 3.204 -3.985 11.413 1.00 4.81 H new ATOM 0 HG21 THR B 12 5.884 -1.652 11.205 1.00 4.02 H new ATOM 0 HG22 THR B 12 6.842 -2.636 10.072 1.00 4.02 H new ATOM 0 HG23 THR B 12 5.343 -1.849 9.521 1.00 4.02 H new ATOM 885 N ILE B 13 6.831 -5.301 8.269 1.00 4.04 N ATOM 886 CA ILE B 13 8.089 -5.979 8.024 1.00 4.20 C ATOM 887 C ILE B 13 9.225 -4.973 7.916 1.00 3.72 C ATOM 888 O ILE B 13 9.035 -3.853 7.435 1.00 3.18 O ATOM 889 CB ILE B 13 8.039 -6.845 6.746 1.00 4.30 C ATOM 890 CG1 ILE B 13 7.686 -5.991 5.524 1.00 3.68 C ATOM 891 CG2 ILE B 13 7.032 -7.975 6.915 1.00 4.88 C ATOM 892 CD1 ILE B 13 7.875 -6.708 4.204 1.00 3.94 C ATOM 0 H ILE B 13 6.440 -4.824 7.456 1.00 4.04 H new ATOM 0 HA ILE B 13 8.267 -6.640 8.872 1.00 4.20 H new ATOM 0 HB ILE B 13 9.026 -7.277 6.584 1.00 4.30 H new ATOM 0 HG12 ILE B 13 6.648 -5.667 5.606 1.00 3.68 H new ATOM 0 HG13 ILE B 13 8.302 -5.092 5.530 1.00 3.68 H new ATOM 0 HG21 ILE B 13 7.006 -8.578 6.007 1.00 4.88 H new ATOM 0 HG22 ILE B 13 7.325 -8.601 7.758 1.00 4.88 H new ATOM 0 HG23 ILE B 13 6.043 -7.556 7.101 1.00 4.88 H new ATOM 0 HD11 ILE B 13 7.605 -6.041 3.386 1.00 3.94 H new ATOM 0 HD12 ILE B 13 8.918 -7.008 4.099 1.00 3.94 H new ATOM 0 HD13 ILE B 13 7.238 -7.592 4.176 1.00 3.94 H new ATOM 904 N THR B 14 10.393 -5.367 8.388 1.00 3.98 N ATOM 905 CA THR B 14 11.562 -4.514 8.342 1.00 3.64 C ATOM 906 C THR B 14 12.314 -4.733 7.038 1.00 3.52 C ATOM 907 O THR B 14 12.541 -5.875 6.630 1.00 3.96 O ATOM 908 CB THR B 14 12.496 -4.803 9.528 1.00 4.07 C ATOM 909 OG1 THR B 14 12.354 -6.175 9.931 1.00 4.66 O ATOM 910 CG2 THR B 14 12.182 -3.888 10.700 1.00 4.07 C ATOM 0 H THR B 14 10.556 -6.281 8.811 1.00 3.98 H new ATOM 0 HA THR B 14 11.230 -3.477 8.403 1.00 3.64 H new ATOM 0 HB THR B 14 13.523 -4.618 9.213 1.00 4.07 H new ATOM 0 HG1 THR B 14 12.951 -6.358 10.686 1.00 4.66 H new ATOM 0 HG21 THR B 14 12.856 -4.112 11.527 1.00 4.07 H new ATOM 0 HG22 THR B 14 12.313 -2.849 10.396 1.00 4.07 H new ATOM 0 HG23 THR B 14 11.152 -4.046 11.019 1.00 4.07 H new ATOM 918 N LEU B 15 12.682 -3.653 6.378 1.00 3.09 N ATOM 919 CA LEU B 15 13.403 -3.755 5.125 1.00 3.19 C ATOM 920 C LEU B 15 14.650 -2.887 5.151 1.00 3.10 C ATOM 921 O LEU B 15 14.604 -1.718 5.545 1.00 2.80 O ATOM 922 CB LEU B 15 12.504 -3.361 3.955 1.00 3.02 C ATOM 923 CG LEU B 15 12.644 -4.237 2.708 1.00 3.52 C ATOM 924 CD1 LEU B 15 12.051 -5.616 2.953 1.00 4.02 C ATOM 925 CD2 LEU B 15 11.972 -3.577 1.518 1.00 3.47 C ATOM 0 H LEU B 15 12.495 -2.699 6.686 1.00 3.09 H new ATOM 0 HA LEU B 15 13.709 -4.793 4.992 1.00 3.19 H new ATOM 0 HB2 LEU B 15 11.466 -3.392 4.287 1.00 3.02 H new ATOM 0 HB3 LEU B 15 12.721 -2.328 3.681 1.00 3.02 H new ATOM 0 HG LEU B 15 13.705 -4.353 2.488 1.00 3.52 H new ATOM 0 HD11 LEU B 15 12.160 -6.224 2.055 1.00 4.02 H new ATOM 0 HD12 LEU B 15 12.574 -6.095 3.781 1.00 4.02 H new ATOM 0 HD13 LEU B 15 10.994 -5.519 3.199 1.00 4.02 H new ATOM 0 HD21 LEU B 15 12.081 -4.213 0.640 1.00 3.47 H new ATOM 0 HD22 LEU B 15 10.913 -3.432 1.732 1.00 3.47 H new ATOM 0 HD23 LEU B 15 12.439 -2.611 1.326 1.00 3.47 H new ATOM 937 N GLU B 16 15.762 -3.472 4.746 1.00 3.49 N ATOM 938 CA GLU B 16 17.030 -2.765 4.714 1.00 3.55 C ATOM 939 C GLU B 16 17.369 -2.388 3.278 1.00 3.81 C ATOM 940 O GLU B 16 17.722 -3.246 2.464 1.00 4.27 O ATOM 941 CB GLU B 16 18.129 -3.632 5.331 1.00 3.90 C ATOM 942 CG GLU B 16 17.772 -4.143 6.721 1.00 3.90 C ATOM 943 CD GLU B 16 18.920 -4.853 7.402 1.00 4.28 C ATOM 944 OE1 GLU B 16 19.828 -4.167 7.918 1.00 4.35 O ATOM 945 OE2 GLU B 16 18.924 -6.102 7.429 1.00 4.63 O ATOM 0 H GLU B 16 15.813 -4.441 4.433 1.00 3.49 H new ATOM 0 HA GLU B 16 16.953 -1.850 5.301 1.00 3.55 H new ATOM 0 HB2 GLU B 16 18.325 -4.481 4.677 1.00 3.90 H new ATOM 0 HB3 GLU B 16 19.051 -3.054 5.388 1.00 3.90 H new ATOM 0 HG2 GLU B 16 17.453 -3.304 7.340 1.00 3.90 H new ATOM 0 HG3 GLU B 16 16.924 -4.824 6.645 1.00 3.90 H new ATOM 952 N VAL B 17 17.233 -1.105 2.968 1.00 3.69 N ATOM 953 CA VAL B 17 17.497 -0.600 1.625 1.00 4.13 C ATOM 954 C VAL B 17 18.231 0.736 1.675 1.00 4.32 C ATOM 955 O VAL B 17 18.364 1.342 2.738 1.00 4.09 O ATOM 956 CB VAL B 17 16.186 -0.399 0.831 1.00 4.08 C ATOM 957 CG1 VAL B 17 15.566 -1.730 0.448 1.00 4.20 C ATOM 958 CG2 VAL B 17 15.199 0.435 1.634 1.00 3.58 C ATOM 0 H VAL B 17 16.939 -0.390 3.633 1.00 3.69 H new ATOM 0 HA VAL B 17 18.117 -1.346 1.128 1.00 4.13 H new ATOM 0 HB VAL B 17 16.430 0.135 -0.087 1.00 4.08 H new ATOM 0 HG11 VAL B 17 14.646 -1.556 -0.109 1.00 4.20 H new ATOM 0 HG12 VAL B 17 16.265 -2.292 -0.172 1.00 4.20 H new ATOM 0 HG13 VAL B 17 15.342 -2.300 1.350 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.282 0.566 1.060 1.00 3.58 H new ATOM 0 HG22 VAL B 17 14.971 -0.073 2.571 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.636 1.410 1.848 1.00 3.58 H new ATOM 968 N GLU B 18 18.695 1.192 0.525 1.00 4.88 N ATOM 969 CA GLU B 18 19.394 2.462 0.427 1.00 5.24 C ATOM 970 C GLU B 18 18.510 3.476 -0.295 1.00 5.46 C ATOM 971 O GLU B 18 17.593 3.091 -1.010 1.00 5.46 O ATOM 972 CB GLU B 18 20.714 2.283 -0.326 1.00 5.81 C ATOM 973 CG GLU B 18 21.750 1.478 0.445 1.00 5.71 C ATOM 974 CD GLU B 18 22.086 2.100 1.785 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.443 3.296 1.815 1.00 5.63 O ATOM 976 OE2 GLU B 18 21.995 1.399 2.817 1.00 5.09 O ATOM 0 H GLU B 18 18.599 0.697 -0.362 1.00 4.88 H new ATOM 0 HA GLU B 18 19.615 2.827 1.430 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.516 1.789 -1.277 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.127 3.265 -0.557 1.00 5.81 H new ATOM 0 HG2 GLU B 18 21.377 0.466 0.601 1.00 5.71 H new ATOM 0 HG3 GLU B 18 22.658 1.394 -0.152 1.00 5.71 H new ATOM 983 N PRO B 19 18.759 4.784 -0.117 1.00 5.75 N ATOM 984 CA PRO B 19 17.968 5.832 -0.776 1.00 6.08 C ATOM 985 C PRO B 19 18.030 5.731 -2.299 1.00 6.61 C ATOM 986 O PRO B 19 17.101 6.129 -3.001 1.00 6.79 O ATOM 987 CB PRO B 19 18.619 7.135 -0.300 1.00 6.47 C ATOM 988 CG PRO B 19 19.346 6.767 0.946 1.00 6.13 C ATOM 989 CD PRO B 19 19.808 5.351 0.745 1.00 5.84 C ATOM 0 HA PRO B 19 16.910 5.757 -0.525 1.00 6.08 H new ATOM 0 HB2 PRO B 19 19.300 7.534 -1.052 1.00 6.47 H new ATOM 0 HB3 PRO B 19 17.870 7.904 -0.108 1.00 6.47 H new ATOM 0 HG2 PRO B 19 20.191 7.434 1.118 1.00 6.13 H new ATOM 0 HG3 PRO B 19 18.695 6.847 1.817 1.00 6.13 H new ATOM 0 HD2 PRO B 19 20.788 5.309 0.270 1.00 5.84 H new ATOM 0 HD3 PRO B 19 19.889 4.814 1.690 1.00 5.84 H new ATOM 997 N SER B 20 19.125 5.170 -2.796 1.00 6.88 N ATOM 998 CA SER B 20 19.334 5.010 -4.225 1.00 7.46 C ATOM 999 C SER B 20 18.640 3.756 -4.759 1.00 7.30 C ATOM 1000 O SER B 20 18.775 3.417 -5.933 1.00 7.78 O ATOM 1001 CB SER B 20 20.834 4.936 -4.506 1.00 7.90 C ATOM 1002 OG SER B 20 21.559 4.667 -3.311 1.00 7.58 O ATOM 0 H SER B 20 19.889 4.815 -2.221 1.00 6.88 H new ATOM 0 HA SER B 20 18.899 5.869 -4.735 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.033 4.156 -5.241 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.174 5.876 -4.939 1.00 7.90 H new ATOM 0 HG SER B 20 21.346 3.764 -2.996 1.00 7.58 H new ATOM 1008 N ASP B 21 17.902 3.068 -3.899 1.00 6.67 N ATOM 1009 CA ASP B 21 17.205 1.857 -4.308 1.00 6.54 C ATOM 1010 C ASP B 21 15.886 2.188 -4.983 1.00 6.58 C ATOM 1011 O ASP B 21 15.112 3.014 -4.493 1.00 6.35 O ATOM 1012 CB ASP B 21 16.963 0.928 -3.116 1.00 5.90 C ATOM 1013 CG ASP B 21 18.071 -0.087 -2.945 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.285 -0.899 -3.867 1.00 6.52 O ATOM 1015 OD2 ASP B 21 18.740 -0.079 -1.891 1.00 5.79 O ATOM 0 H ASP B 21 17.771 3.325 -2.921 1.00 6.67 H new ATOM 0 HA ASP B 21 17.844 1.341 -5.025 1.00 6.54 H new ATOM 0 HB2 ASP B 21 16.875 1.523 -2.207 1.00 5.90 H new ATOM 0 HB3 ASP B 21 16.014 0.408 -3.250 1.00 5.90 H new ATOM 1020 N THR B 22 15.650 1.553 -6.118 1.00 6.93 N ATOM 1021 CA THR B 22 14.428 1.754 -6.872 1.00 7.01 C ATOM 1022 C THR B 22 13.285 0.970 -6.237 1.00 6.40 C ATOM 1023 O THR B 22 13.514 -0.052 -5.584 1.00 6.11 O ATOM 1024 CB THR B 22 14.610 1.307 -8.333 1.00 7.68 C ATOM 1025 OG1 THR B 22 15.650 0.317 -8.409 1.00 7.91 O ATOM 1026 CG2 THR B 22 14.961 2.491 -9.222 1.00 8.28 C ATOM 0 H THR B 22 16.297 0.887 -6.540 1.00 6.93 H new ATOM 0 HA THR B 22 14.190 2.818 -6.857 1.00 7.01 H new ATOM 0 HB THR B 22 13.671 0.880 -8.684 1.00 7.68 H new ATOM 0 HG1 THR B 22 15.763 0.032 -9.340 1.00 7.91 H new ATOM 0 HG21 THR B 22 15.085 2.150 -10.250 1.00 8.28 H new ATOM 0 HG22 THR B 22 14.160 3.229 -9.178 1.00 8.28 H new ATOM 0 HG23 THR B 22 15.890 2.943 -8.875 1.00 8.28 H new ATOM 1034 N ILE B 23 12.062 1.446 -6.436 1.00 6.25 N ATOM 1035 CA ILE B 23 10.882 0.796 -5.878 1.00 5.69 C ATOM 1036 C ILE B 23 10.773 -0.653 -6.355 1.00 5.85 C ATOM 1037 O ILE B 23 10.295 -1.523 -5.623 1.00 5.45 O ATOM 1038 CB ILE B 23 9.594 1.570 -6.242 1.00 5.64 C ATOM 1039 CG1 ILE B 23 9.717 3.038 -5.813 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.373 0.925 -5.602 1.00 5.05 C ATOM 1041 CD1 ILE B 23 10.064 3.234 -4.352 1.00 5.05 C ATOM 0 H ILE B 23 11.861 2.284 -6.982 1.00 6.25 H new ATOM 0 HA ILE B 23 10.993 0.797 -4.794 1.00 5.69 H new ATOM 0 HB ILE B 23 9.466 1.533 -7.324 1.00 5.64 H new ATOM 0 HG12 ILE B 23 10.481 3.520 -6.423 1.00 5.64 H new ATOM 0 HG13 ILE B 23 8.775 3.545 -6.022 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.480 1.488 -5.873 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.276 -0.101 -5.956 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.487 0.926 -4.518 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.131 4.300 -4.134 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.289 2.785 -3.731 1.00 5.05 H new ATOM 0 HD13 ILE B 23 11.021 2.759 -4.139 1.00 5.05 H new ATOM 1053 N GLU B 24 11.244 -0.910 -7.573 1.00 6.53 N ATOM 1054 CA GLU B 24 11.216 -2.256 -8.135 1.00 6.87 C ATOM 1055 C GLU B 24 12.003 -3.223 -7.249 1.00 6.77 C ATOM 1056 O GLU B 24 11.559 -4.342 -6.985 1.00 6.75 O ATOM 1057 CB GLU B 24 11.789 -2.260 -9.555 1.00 7.65 C ATOM 1058 CG GLU B 24 11.822 -3.639 -10.196 1.00 8.08 C ATOM 1059 CD GLU B 24 12.366 -3.618 -11.609 1.00 8.84 C ATOM 1060 OE1 GLU B 24 13.598 -3.490 -11.776 1.00 9.13 O ATOM 1061 OE2 GLU B 24 11.564 -3.735 -12.560 1.00 9.18 O ATOM 0 H GLU B 24 11.649 -0.204 -8.188 1.00 6.53 H new ATOM 0 HA GLU B 24 10.178 -2.585 -8.177 1.00 6.87 H new ATOM 0 HB2 GLU B 24 11.195 -1.593 -10.179 1.00 7.65 H new ATOM 0 HB3 GLU B 24 12.801 -1.856 -9.530 1.00 7.65 H new ATOM 0 HG2 GLU B 24 12.434 -4.303 -9.586 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.814 -4.054 -10.206 1.00 8.08 H new ATOM 1068 N ASN B 25 13.163 -2.773 -6.767 1.00 6.77 N ATOM 1069 CA ASN B 25 14.006 -3.598 -5.907 1.00 6.71 C ATOM 1070 C ASN B 25 13.336 -3.807 -4.555 1.00 6.02 C ATOM 1071 O ASN B 25 13.442 -4.875 -3.953 1.00 6.03 O ATOM 1072 CB ASN B 25 15.387 -2.963 -5.712 1.00 6.89 C ATOM 1073 CG ASN B 25 16.352 -3.898 -5.000 1.00 7.03 C ATOM 1074 OD1 ASN B 25 16.266 -5.114 -5.131 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.283 -3.341 -4.244 1.00 6.86 N ATOM 0 H ASN B 25 13.537 -1.844 -6.958 1.00 6.77 H new ATOM 0 HA ASN B 25 14.139 -4.564 -6.395 1.00 6.71 H new ATOM 0 HB2 ASN B 25 15.799 -2.688 -6.683 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.284 -2.043 -5.137 1.00 6.89 H new ATOM 0 HD21 ASN B 25 17.956 -3.927 -3.749 1.00 6.86 H new ATOM 0 HD22 ASN B 25 17.328 -2.326 -4.155 1.00 6.86 H new ATOM 1082 N VAL B 26 12.641 -2.776 -4.085 1.00 5.50 N ATOM 1083 CA VAL B 26 11.933 -2.842 -2.813 1.00 4.81 C ATOM 1084 C VAL B 26 10.883 -3.949 -2.863 1.00 4.82 C ATOM 1085 O VAL B 26 10.770 -4.756 -1.938 1.00 4.68 O ATOM 1086 CB VAL B 26 11.252 -1.496 -2.473 1.00 4.33 C ATOM 1087 CG1 VAL B 26 10.533 -1.572 -1.135 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.272 -0.367 -2.461 1.00 4.48 C ATOM 0 H VAL B 26 12.553 -1.882 -4.569 1.00 5.50 H new ATOM 0 HA VAL B 26 12.663 -3.059 -2.033 1.00 4.81 H new ATOM 0 HB VAL B 26 10.513 -1.289 -3.247 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.063 -0.613 -0.920 1.00 3.62 H new ATOM 0 HG12 VAL B 26 9.770 -2.349 -1.176 1.00 3.62 H new ATOM 0 HG13 VAL B 26 11.250 -1.809 -0.349 1.00 3.62 H new ATOM 0 HG21 VAL B 26 11.773 0.572 -2.220 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.036 -0.575 -1.712 1.00 4.48 H new ATOM 0 HG23 VAL B 26 12.739 -0.288 -3.443 1.00 4.48 H new ATOM 1098 N LYS B 27 10.140 -3.995 -3.968 1.00 5.10 N ATOM 1099 CA LYS B 27 9.106 -5.007 -4.166 1.00 5.22 C ATOM 1100 C LYS B 27 9.720 -6.404 -4.170 1.00 5.78 C ATOM 1101 O LYS B 27 9.179 -7.339 -3.568 1.00 5.83 O ATOM 1102 CB LYS B 27 8.368 -4.765 -5.484 1.00 5.53 C ATOM 1103 CG LYS B 27 7.510 -3.511 -5.485 1.00 5.06 C ATOM 1104 CD LYS B 27 6.910 -3.251 -6.859 1.00 5.45 C ATOM 1105 CE LYS B 27 5.992 -2.038 -6.849 1.00 5.06 C ATOM 1106 NZ LYS B 27 5.586 -1.639 -8.220 1.00 5.50 N ATOM 0 H LYS B 27 10.237 -3.339 -4.743 1.00 5.10 H new ATOM 0 HA LYS B 27 8.396 -4.934 -3.342 1.00 5.22 H new ATOM 0 HB2 LYS B 27 9.098 -4.695 -6.291 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.736 -5.627 -5.699 1.00 5.53 H new ATOM 0 HG2 LYS B 27 6.711 -3.614 -4.751 1.00 5.06 H new ATOM 0 HG3 LYS B 27 8.113 -2.655 -5.182 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.710 -3.096 -7.583 1.00 5.45 H new ATOM 0 HD3 LYS B 27 6.351 -4.128 -7.184 1.00 5.45 H new ATOM 0 HE2 LYS B 27 5.104 -2.260 -6.258 1.00 5.06 H new ATOM 0 HE3 LYS B 27 6.498 -1.204 -6.363 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 5.120 -0.710 -8.187 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 6.427 -1.583 -8.829 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.926 -2.344 -8.606 1.00 5.50 H new ATOM 1120 N ALA B 28 10.857 -6.536 -4.847 1.00 6.27 N ATOM 1121 CA ALA B 28 11.559 -7.809 -4.935 1.00 6.84 C ATOM 1122 C ALA B 28 12.000 -8.284 -3.555 1.00 6.63 C ATOM 1123 O ALA B 28 11.914 -9.473 -3.239 1.00 6.99 O ATOM 1124 CB ALA B 28 12.759 -7.687 -5.865 1.00 7.35 C ATOM 0 H ALA B 28 11.313 -5.771 -5.345 1.00 6.27 H new ATOM 0 HA ALA B 28 10.873 -8.550 -5.344 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.275 -8.646 -5.921 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.420 -7.398 -6.860 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.442 -6.930 -5.480 1.00 7.35 H new ATOM 1130 N LYS B 29 12.453 -7.344 -2.734 1.00 6.10 N ATOM 1131 CA LYS B 29 12.902 -7.650 -1.382 1.00 5.90 C ATOM 1132 C LYS B 29 11.737 -8.128 -0.518 1.00 5.68 C ATOM 1133 O LYS B 29 11.895 -9.022 0.317 1.00 5.96 O ATOM 1134 CB LYS B 29 13.568 -6.425 -0.752 1.00 5.38 C ATOM 1135 CG LYS B 29 15.042 -6.291 -1.096 1.00 5.69 C ATOM 1136 CD LYS B 29 15.597 -4.952 -0.641 1.00 5.31 C ATOM 1137 CE LYS B 29 17.107 -4.886 -0.786 1.00 5.69 C ATOM 1138 NZ LYS B 29 17.800 -5.295 0.462 1.00 5.63 N ATOM 0 H LYS B 29 12.519 -6.357 -2.984 1.00 6.10 H new ATOM 0 HA LYS B 29 13.635 -8.455 -1.439 1.00 5.90 H new ATOM 0 HB2 LYS B 29 13.044 -5.528 -1.080 1.00 5.38 H new ATOM 0 HB3 LYS B 29 13.460 -6.479 0.331 1.00 5.38 H new ATOM 0 HG2 LYS B 29 15.602 -7.098 -0.624 1.00 5.69 H new ATOM 0 HG3 LYS B 29 15.177 -6.396 -2.172 1.00 5.69 H new ATOM 0 HD2 LYS B 29 15.141 -4.153 -1.225 1.00 5.31 H new ATOM 0 HD3 LYS B 29 15.325 -4.781 0.400 1.00 5.31 H new ATOM 0 HE2 LYS B 29 17.422 -5.533 -1.605 1.00 5.69 H new ATOM 0 HE3 LYS B 29 17.403 -3.871 -1.050 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 18.798 -5.499 0.254 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 17.742 -4.526 1.160 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 17.346 -6.147 0.848 1.00 5.63 H new ATOM 1152 N ILE B 30 10.568 -7.532 -0.723 1.00 5.27 N ATOM 1153 CA ILE B 30 9.375 -7.910 0.024 1.00 5.11 C ATOM 1154 C ILE B 30 8.936 -9.317 -0.373 1.00 5.80 C ATOM 1155 O ILE B 30 8.569 -10.134 0.475 1.00 6.03 O ATOM 1156 CB ILE B 30 8.217 -6.914 -0.213 1.00 4.53 C ATOM 1157 CG1 ILE B 30 8.609 -5.519 0.288 1.00 3.87 C ATOM 1158 CG2 ILE B 30 6.943 -7.388 0.479 1.00 4.48 C ATOM 1159 CD1 ILE B 30 7.623 -4.435 -0.086 1.00 3.34 C ATOM 0 H ILE B 30 10.421 -6.784 -1.401 1.00 5.27 H new ATOM 0 HA ILE B 30 9.625 -7.889 1.085 1.00 5.11 H new ATOM 0 HB ILE B 30 8.022 -6.862 -1.284 1.00 4.53 H new ATOM 0 HG12 ILE B 30 8.708 -5.548 1.373 1.00 3.87 H new ATOM 0 HG13 ILE B 30 9.588 -5.261 -0.115 1.00 3.87 H new ATOM 0 HG21 ILE B 30 6.142 -6.671 0.298 1.00 4.48 H new ATOM 0 HG22 ILE B 30 6.655 -8.362 0.083 1.00 4.48 H new ATOM 0 HG23 ILE B 30 7.121 -7.471 1.551 1.00 4.48 H new ATOM 0 HD11 ILE B 30 7.969 -3.478 0.304 1.00 3.34 H new ATOM 0 HD12 ILE B 30 7.541 -4.377 -1.171 1.00 3.34 H new ATOM 0 HD13 ILE B 30 6.647 -4.668 0.340 1.00 3.34 H new ATOM 1171 N GLN B 31 9.008 -9.602 -1.669 1.00 6.20 N ATOM 1172 CA GLN B 31 8.629 -10.907 -2.196 1.00 6.89 C ATOM 1173 C GLN B 31 9.626 -11.975 -1.746 1.00 7.42 C ATOM 1174 O GLN B 31 9.284 -13.148 -1.605 1.00 7.92 O ATOM 1175 CB GLN B 31 8.570 -10.859 -3.726 1.00 7.24 C ATOM 1176 CG GLN B 31 8.162 -12.177 -4.366 1.00 7.96 C ATOM 1177 CD GLN B 31 8.361 -12.193 -5.870 1.00 8.43 C ATOM 1178 OE1 GLN B 31 9.242 -11.514 -6.404 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.538 -12.960 -6.567 1.00 8.89 N ATOM 0 H GLN B 31 9.328 -8.941 -2.377 1.00 6.20 H new ATOM 0 HA GLN B 31 7.643 -11.164 -1.809 1.00 6.89 H new ATOM 0 HB2 GLN B 31 7.865 -10.085 -4.029 1.00 7.24 H new ATOM 0 HB3 GLN B 31 9.548 -10.567 -4.109 1.00 7.24 H new ATOM 0 HG2 GLN B 31 8.741 -12.986 -3.920 1.00 7.96 H new ATOM 0 HG3 GLN B 31 7.114 -12.374 -4.142 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.822 -13.507 -6.088 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.620 -13.004 -7.583 1.00 8.89 H new ATOM 1188 N ASP B 32 10.853 -11.546 -1.499 1.00 7.32 N ATOM 1189 CA ASP B 32 11.919 -12.447 -1.080 1.00 7.80 C ATOM 1190 C ASP B 32 11.688 -13.001 0.325 1.00 7.78 C ATOM 1191 O ASP B 32 11.955 -14.172 0.583 1.00 8.36 O ATOM 1192 CB ASP B 32 13.263 -11.721 -1.132 1.00 7.68 C ATOM 1193 CG ASP B 32 14.432 -12.632 -0.830 1.00 8.20 C ATOM 1194 OD1 ASP B 32 14.931 -13.296 -1.762 1.00 8.79 O ATOM 1195 OD2 ASP B 32 14.874 -12.676 0.333 1.00 8.05 O ATOM 0 H ASP B 32 11.139 -10.570 -1.582 1.00 7.32 H new ATOM 0 HA ASP B 32 11.923 -13.290 -1.770 1.00 7.80 H new ATOM 0 HB2 ASP B 32 13.396 -11.282 -2.121 1.00 7.68 H new ATOM 0 HB3 ASP B 32 13.255 -10.899 -0.417 1.00 7.68 H new ATOM 1200 N LYS B 33 11.184 -12.171 1.231 1.00 7.19 N ATOM 1201 CA LYS B 33 10.961 -12.616 2.606 1.00 7.24 C ATOM 1202 C LYS B 33 9.504 -13.001 2.880 1.00 7.31 C ATOM 1203 O LYS B 33 9.245 -13.976 3.591 1.00 7.78 O ATOM 1204 CB LYS B 33 11.425 -11.552 3.607 1.00 6.67 C ATOM 1205 CG LYS B 33 10.875 -10.157 3.350 1.00 5.91 C ATOM 1206 CD LYS B 33 11.140 -9.228 4.526 1.00 5.41 C ATOM 1207 CE LYS B 33 12.631 -8.995 4.733 1.00 5.44 C ATOM 1208 NZ LYS B 33 12.941 -8.523 6.107 1.00 5.21 N ATOM 0 H LYS B 33 10.925 -11.202 1.046 1.00 7.19 H new ATOM 0 HA LYS B 33 11.560 -13.518 2.737 1.00 7.24 H new ATOM 0 HB2 LYS B 33 11.133 -11.864 4.610 1.00 6.67 H new ATOM 0 HB3 LYS B 33 12.514 -11.507 3.591 1.00 6.67 H new ATOM 0 HG2 LYS B 33 11.331 -9.745 2.450 1.00 5.91 H new ATOM 0 HG3 LYS B 33 9.802 -10.216 3.166 1.00 5.91 H new ATOM 0 HD2 LYS B 33 10.642 -8.273 4.355 1.00 5.41 H new ATOM 0 HD3 LYS B 33 10.709 -9.655 5.432 1.00 5.41 H new ATOM 0 HE2 LYS B 33 13.172 -9.921 4.538 1.00 5.44 H new ATOM 0 HE3 LYS B 33 12.986 -8.261 4.010 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 13.941 -8.713 6.322 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 12.761 -7.501 6.172 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 12.338 -9.024 6.790 1.00 5.21 H new ATOM 1222 N GLU B 34 8.557 -12.248 2.333 1.00 6.89 N ATOM 1223 CA GLU B 34 7.145 -12.539 2.557 1.00 6.93 C ATOM 1224 C GLU B 34 6.598 -13.495 1.502 1.00 7.47 C ATOM 1225 O GLU B 34 6.018 -14.528 1.833 1.00 7.85 O ATOM 1226 CB GLU B 34 6.326 -11.245 2.575 1.00 6.19 C ATOM 1227 CG GLU B 34 6.593 -10.371 3.792 1.00 5.76 C ATOM 1228 CD GLU B 34 6.220 -11.054 5.093 1.00 6.20 C ATOM 1229 OE1 GLU B 34 5.011 -11.197 5.374 1.00 6.35 O ATOM 1230 OE2 GLU B 34 7.134 -11.458 5.845 1.00 6.48 O ATOM 0 H GLU B 34 8.737 -11.440 1.737 1.00 6.89 H new ATOM 0 HA GLU B 34 7.058 -13.026 3.528 1.00 6.93 H new ATOM 0 HB2 GLU B 34 6.545 -10.674 1.673 1.00 6.19 H new ATOM 0 HB3 GLU B 34 5.266 -11.496 2.544 1.00 6.19 H new ATOM 0 HG2 GLU B 34 7.649 -10.102 3.817 1.00 5.76 H new ATOM 0 HG3 GLU B 34 6.030 -9.443 3.699 1.00 5.76 H new ATOM 1237 N GLY B 35 6.799 -13.155 0.235 1.00 7.55 N ATOM 1238 CA GLY B 35 6.311 -13.998 -0.842 1.00 8.09 C ATOM 1239 C GLY B 35 5.206 -13.340 -1.645 1.00 7.80 C ATOM 1240 O GLY B 35 4.668 -13.932 -2.578 1.00 8.21 O ATOM 0 H GLY B 35 7.290 -12.313 -0.067 1.00 7.55 H new ATOM 0 HA2 GLY B 35 7.138 -14.247 -1.506 1.00 8.09 H new ATOM 0 HA3 GLY B 35 5.943 -14.936 -0.426 1.00 8.09 H new ATOM 1244 N ILE B 36 4.869 -12.111 -1.280 1.00 7.10 N ATOM 1245 CA ILE B 36 3.825 -11.364 -1.969 1.00 6.77 C ATOM 1246 C ILE B 36 4.294 -10.947 -3.361 1.00 6.83 C ATOM 1247 O ILE B 36 5.317 -10.275 -3.497 1.00 6.60 O ATOM 1248 CB ILE B 36 3.417 -10.102 -1.175 1.00 5.99 C ATOM 1249 CG1 ILE B 36 3.137 -10.455 0.290 1.00 6.04 C ATOM 1250 CG2 ILE B 36 2.197 -9.441 -1.811 1.00 5.67 C ATOM 1251 CD1 ILE B 36 3.092 -9.250 1.205 1.00 5.35 C ATOM 0 H ILE B 36 5.305 -11.608 -0.507 1.00 7.10 H new ATOM 0 HA ILE B 36 2.959 -12.021 -2.054 1.00 6.77 H new ATOM 0 HB ILE B 36 4.245 -9.394 -1.204 1.00 5.99 H new ATOM 0 HG12 ILE B 36 2.186 -10.984 0.352 1.00 6.04 H new ATOM 0 HG13 ILE B 36 3.907 -11.141 0.643 1.00 6.04 H new ATOM 0 HG21 ILE B 36 1.924 -8.554 -1.239 1.00 5.67 H new ATOM 0 HG22 ILE B 36 2.432 -9.154 -2.836 1.00 5.67 H new ATOM 0 HG23 ILE B 36 1.363 -10.143 -1.813 1.00 5.67 H new ATOM 0 HD11 ILE B 36 2.890 -9.575 2.225 1.00 5.35 H new ATOM 0 HD12 ILE B 36 4.051 -8.732 1.172 1.00 5.35 H new ATOM 0 HD13 ILE B 36 2.303 -8.573 0.877 1.00 5.35 H new ATOM 1263 N PRO B 37 3.570 -11.357 -4.415 1.00 7.22 N ATOM 1264 CA PRO B 37 3.920 -11.006 -5.794 1.00 7.44 C ATOM 1265 C PRO B 37 3.902 -9.493 -6.016 1.00 6.84 C ATOM 1266 O PRO B 37 2.948 -8.819 -5.620 1.00 6.32 O ATOM 1267 CB PRO B 37 2.828 -11.676 -6.634 1.00 7.86 C ATOM 1268 CG PRO B 37 2.246 -12.727 -5.751 1.00 8.10 C ATOM 1269 CD PRO B 37 2.367 -12.200 -4.350 1.00 7.57 C ATOM 0 HA PRO B 37 4.927 -11.333 -6.053 1.00 7.44 H new ATOM 0 HB2 PRO B 37 2.070 -10.956 -6.941 1.00 7.86 H new ATOM 0 HB3 PRO B 37 3.242 -12.111 -7.544 1.00 7.86 H new ATOM 0 HG2 PRO B 37 1.204 -12.920 -6.007 1.00 8.10 H new ATOM 0 HG3 PRO B 37 2.781 -13.670 -5.861 1.00 8.10 H new ATOM 0 HD2 PRO B 37 1.488 -11.626 -4.058 1.00 7.57 H new ATOM 0 HD3 PRO B 37 2.478 -13.006 -3.624 1.00 7.57 H new ATOM 1277 N PRO B 38 4.960 -8.945 -6.645 1.00 6.95 N ATOM 1278 CA PRO B 38 5.077 -7.501 -6.922 1.00 6.54 C ATOM 1279 C PRO B 38 3.851 -6.916 -7.628 1.00 6.45 C ATOM 1280 O PRO B 38 3.535 -5.741 -7.456 1.00 5.97 O ATOM 1281 CB PRO B 38 6.307 -7.415 -7.826 1.00 7.04 C ATOM 1282 CG PRO B 38 7.125 -8.603 -7.462 1.00 7.43 C ATOM 1283 CD PRO B 38 6.143 -9.689 -7.120 1.00 7.57 C ATOM 0 HA PRO B 38 5.158 -6.925 -6.000 1.00 6.54 H new ATOM 0 HB2 PRO B 38 6.027 -7.434 -8.879 1.00 7.04 H new ATOM 0 HB3 PRO B 38 6.857 -6.489 -7.660 1.00 7.04 H new ATOM 0 HG2 PRO B 38 7.767 -8.904 -8.290 1.00 7.43 H new ATOM 0 HG3 PRO B 38 7.776 -8.385 -6.616 1.00 7.43 H new ATOM 0 HD2 PRO B 38 5.908 -10.306 -7.988 1.00 7.57 H new ATOM 0 HD3 PRO B 38 6.533 -10.356 -6.351 1.00 7.57 H new ATOM 1291 N ASP B 39 3.160 -7.744 -8.406 1.00 6.95 N ATOM 1292 CA ASP B 39 1.965 -7.312 -9.131 1.00 6.96 C ATOM 1293 C ASP B 39 0.867 -6.878 -8.167 1.00 6.32 C ATOM 1294 O ASP B 39 0.086 -5.972 -8.456 1.00 6.07 O ATOM 1295 CB ASP B 39 1.453 -8.443 -10.025 1.00 7.65 C ATOM 1296 CG ASP B 39 0.180 -8.081 -10.764 1.00 7.66 C ATOM 1297 OD1 ASP B 39 0.255 -7.323 -11.756 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -0.901 -8.562 -10.367 1.00 7.79 O ATOM 0 H ASP B 39 3.407 -8.723 -8.552 1.00 6.95 H new ATOM 0 HA ASP B 39 2.236 -6.457 -9.751 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.225 -8.705 -10.748 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.274 -9.328 -9.415 1.00 7.65 H new ATOM 1303 N GLN B 40 0.830 -7.512 -7.007 1.00 6.12 N ATOM 1304 CA GLN B 40 -0.168 -7.200 -5.999 1.00 5.59 C ATOM 1305 C GLN B 40 0.415 -6.262 -4.949 1.00 4.88 C ATOM 1306 O GLN B 40 -0.242 -5.921 -3.967 1.00 4.41 O ATOM 1307 CB GLN B 40 -0.677 -8.488 -5.352 1.00 5.92 C ATOM 1308 CG GLN B 40 -1.298 -9.447 -6.355 1.00 6.60 C ATOM 1309 CD GLN B 40 -1.528 -10.835 -5.793 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -1.424 -11.829 -6.510 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -1.853 -10.915 -4.514 1.00 6.80 N ATOM 0 H GLN B 40 1.483 -8.249 -6.740 1.00 6.12 H new ATOM 0 HA GLN B 40 -1.008 -6.696 -6.476 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.150 -8.985 -4.845 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -1.415 -8.239 -4.590 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -2.249 -9.039 -6.697 1.00 6.60 H new ATOM 0 HG3 GLN B 40 -0.650 -9.519 -7.228 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.929 -10.066 -3.953 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -2.028 -11.825 -4.088 1.00 6.80 H new ATOM 1320 N GLN B 41 1.649 -5.836 -5.180 1.00 4.86 N ATOM 1321 CA GLN B 41 2.339 -4.938 -4.268 1.00 4.24 C ATOM 1322 C GLN B 41 2.153 -3.488 -4.690 1.00 3.92 C ATOM 1323 O GLN B 41 2.697 -3.055 -5.706 1.00 4.35 O ATOM 1324 CB GLN B 41 3.835 -5.242 -4.234 1.00 4.48 C ATOM 1325 CG GLN B 41 4.212 -6.528 -3.524 1.00 4.79 C ATOM 1326 CD GLN B 41 5.694 -6.571 -3.221 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.307 -5.541 -2.953 1.00 4.46 O ATOM 1328 NE2 GLN B 41 6.286 -7.750 -3.270 1.00 5.46 N ATOM 0 H GLN B 41 2.196 -6.101 -5.999 1.00 4.86 H new ATOM 0 HA GLN B 41 1.909 -5.091 -3.278 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.204 -5.289 -5.258 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.348 -4.412 -3.748 1.00 4.48 H new ATOM 0 HG2 GLN B 41 3.646 -6.614 -2.597 1.00 4.79 H new ATOM 0 HG3 GLN B 41 3.940 -7.382 -4.144 1.00 4.79 H new ATOM 0 HE21 GLN B 41 5.744 -8.584 -3.496 1.00 5.46 H new ATOM 0 HE22 GLN B 41 7.286 -7.827 -3.082 1.00 5.46 H new ATOM 1337 N ARG B 42 1.383 -2.740 -3.924 1.00 3.29 N ATOM 1338 CA ARG B 42 1.168 -1.339 -4.227 1.00 3.09 C ATOM 1339 C ARG B 42 1.707 -0.486 -3.090 1.00 2.49 C ATOM 1340 O ARG B 42 0.995 -0.179 -2.135 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.311 -1.043 -4.469 1.00 2.97 C ATOM 1342 CG ARG B 42 -0.540 0.151 -5.379 1.00 3.22 C ATOM 1343 CD ARG B 42 -1.988 0.610 -5.348 1.00 3.19 C ATOM 1344 NE ARG B 42 -2.260 1.616 -6.371 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.436 1.766 -6.977 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.462 0.993 -6.643 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.587 2.688 -7.921 1.00 3.59 N ATOM 0 H ARG B 42 0.898 -3.077 -3.092 1.00 3.29 H new ATOM 0 HA ARG B 42 1.703 -1.096 -5.145 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -0.784 -1.922 -4.907 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -0.800 -0.862 -3.512 1.00 2.97 H new ATOM 0 HG2 ARG B 42 0.109 0.972 -5.073 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.263 -0.111 -6.400 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -2.644 -0.247 -5.498 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -2.218 1.020 -4.365 1.00 3.19 H new ATOM 0 HE ARG B 42 -1.501 2.243 -6.638 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.351 0.282 -5.920 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.362 1.110 -7.109 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -2.801 3.283 -8.183 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -4.489 2.801 -8.384 1.00 3.59 H new ATOM 1361 N LEU B 43 2.983 -0.142 -3.185 1.00 2.72 N ATOM 1362 CA LEU B 43 3.639 0.674 -2.172 1.00 2.34 C ATOM 1363 C LEU B 43 3.222 2.132 -2.300 1.00 2.51 C ATOM 1364 O LEU B 43 3.537 2.796 -3.291 1.00 3.16 O ATOM 1365 CB LEU B 43 5.159 0.558 -2.294 1.00 2.69 C ATOM 1366 CG LEU B 43 5.749 -0.794 -1.887 1.00 2.62 C ATOM 1367 CD1 LEU B 43 7.148 -0.954 -2.460 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.774 -0.933 -0.370 1.00 2.03 C ATOM 0 H LEU B 43 3.589 -0.417 -3.958 1.00 2.72 H new ATOM 0 HA LEU B 43 3.332 0.307 -1.193 1.00 2.34 H new ATOM 0 HB2 LEU B 43 5.440 0.762 -3.327 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.616 1.334 -1.680 1.00 2.69 H new ATOM 0 HG LEU B 43 5.116 -1.583 -2.292 1.00 2.62 H new ATOM 0 HD11 LEU B 43 7.555 -1.920 -2.162 1.00 3.19 H new ATOM 0 HD12 LEU B 43 7.104 -0.898 -3.548 1.00 3.19 H new ATOM 0 HD13 LEU B 43 7.789 -0.158 -2.082 1.00 3.19 H new ATOM 0 HD21 LEU B 43 6.197 -1.901 -0.100 1.00 2.03 H new ATOM 0 HD22 LEU B 43 6.385 -0.138 0.058 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.758 -0.860 0.019 1.00 2.03 H new ATOM 1380 N ILE B 44 2.501 2.618 -1.304 1.00 2.10 N ATOM 1381 CA ILE B 44 2.040 3.996 -1.296 1.00 2.55 C ATOM 1382 C ILE B 44 2.610 4.741 -0.094 1.00 2.73 C ATOM 1383 O ILE B 44 2.663 4.199 1.013 1.00 2.37 O ATOM 1384 CB ILE B 44 0.498 4.079 -1.261 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.122 3.078 -2.245 1.00 2.20 C ATOM 1386 CG2 ILE B 44 0.038 5.493 -1.578 1.00 3.04 C ATOM 1387 CD1 ILE B 44 0.057 3.450 -3.703 1.00 2.92 C ATOM 0 H ILE B 44 2.221 2.076 -0.487 1.00 2.10 H new ATOM 0 HA ILE B 44 2.391 4.460 -2.217 1.00 2.55 H new ATOM 0 HB ILE B 44 0.162 3.821 -0.257 1.00 2.35 H new ATOM 0 HG12 ILE B 44 0.321 2.096 -2.075 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.187 2.989 -2.032 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -1.051 5.536 -1.550 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.448 6.183 -0.840 1.00 3.04 H new ATOM 0 HG23 ILE B 44 0.387 5.775 -2.572 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.409 2.692 -4.332 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.411 4.416 -3.892 1.00 2.92 H new ATOM 0 HD13 ILE B 44 1.120 3.510 -3.935 1.00 2.92 H new ATOM 1399 N PHE B 45 3.043 5.972 -0.319 1.00 3.41 N ATOM 1400 CA PHE B 45 3.607 6.788 0.746 1.00 3.75 C ATOM 1401 C PHE B 45 2.731 8.008 1.009 1.00 4.37 C ATOM 1402 O PHE B 45 2.762 8.981 0.252 1.00 4.85 O ATOM 1403 CB PHE B 45 5.034 7.220 0.389 1.00 3.98 C ATOM 1404 CG PHE B 45 5.718 8.024 1.462 1.00 4.33 C ATOM 1405 CD1 PHE B 45 5.864 7.518 2.745 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.219 9.286 1.184 1.00 5.00 C ATOM 1407 CE1 PHE B 45 6.500 8.255 3.727 1.00 4.54 C ATOM 1408 CE2 PHE B 45 6.854 10.028 2.163 1.00 5.37 C ATOM 1409 CZ PHE B 45 6.994 9.511 3.436 1.00 5.14 C ATOM 0 H PHE B 45 3.015 6.429 -1.231 1.00 3.41 H new ATOM 0 HA PHE B 45 3.643 6.189 1.656 1.00 3.75 H new ATOM 0 HB2 PHE B 45 5.630 6.331 0.180 1.00 3.98 H new ATOM 0 HB3 PHE B 45 5.006 7.808 -0.528 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.477 6.538 2.980 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.112 9.695 0.190 1.00 5.00 H new ATOM 0 HE1 PHE B 45 6.610 7.848 4.721 1.00 4.54 H new ATOM 0 HE2 PHE B 45 7.240 11.010 1.933 1.00 5.37 H new ATOM 0 HZ PHE B 45 7.489 10.088 4.203 1.00 5.14 H new ATOM 1419 N ALA B 46 1.927 7.923 2.068 1.00 4.47 N ATOM 1420 CA ALA B 46 1.027 9.004 2.480 1.00 5.11 C ATOM 1421 C ALA B 46 0.104 9.459 1.347 1.00 5.25 C ATOM 1422 O ALA B 46 -0.276 10.628 1.277 1.00 5.80 O ATOM 1423 CB ALA B 46 1.830 10.181 3.016 1.00 5.68 C ATOM 0 H ALA B 46 1.880 7.100 2.668 1.00 4.47 H new ATOM 0 HA ALA B 46 0.390 8.610 3.272 1.00 5.11 H new ATOM 0 HB1 ALA B 46 1.150 10.977 3.319 1.00 5.68 H new ATOM 0 HB2 ALA B 46 2.418 9.859 3.876 1.00 5.68 H new ATOM 0 HB3 ALA B 46 2.498 10.550 2.238 1.00 5.68 H new ATOM 1429 N GLY B 47 -0.259 8.536 0.469 1.00 4.86 N ATOM 1430 CA GLY B 47 -1.142 8.876 -0.631 1.00 5.04 C ATOM 1431 C GLY B 47 -0.431 8.928 -1.971 1.00 5.20 C ATOM 1432 O GLY B 47 -1.075 8.843 -3.016 1.00 5.50 O ATOM 0 H GLY B 47 0.040 7.561 0.497 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -1.948 8.144 -0.682 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -1.603 9.844 -0.433 1.00 5.04 H new ATOM 1436 N LYS B 48 0.888 9.062 -1.947 1.00 5.13 N ATOM 1437 CA LYS B 48 1.672 9.123 -3.175 1.00 5.44 C ATOM 1438 C LYS B 48 2.083 7.727 -3.623 1.00 4.89 C ATOM 1439 O LYS B 48 2.676 6.972 -2.851 1.00 4.41 O ATOM 1440 CB LYS B 48 2.919 9.987 -2.974 1.00 6.05 C ATOM 1441 CG LYS B 48 2.625 11.474 -2.864 1.00 6.75 C ATOM 1442 CD LYS B 48 3.892 12.273 -2.598 1.00 7.32 C ATOM 1443 CE LYS B 48 3.624 13.769 -2.615 1.00 7.40 C ATOM 1444 NZ LYS B 48 2.614 14.168 -1.601 1.00 7.95 N ATOM 0 H LYS B 48 1.439 9.131 -1.091 1.00 5.13 H new ATOM 0 HA LYS B 48 1.049 9.572 -3.949 1.00 5.44 H new ATOM 0 HB2 LYS B 48 3.434 9.660 -2.071 1.00 6.05 H new ATOM 0 HB3 LYS B 48 3.602 9.822 -3.807 1.00 6.05 H new ATOM 0 HG2 LYS B 48 2.160 11.823 -3.786 1.00 6.75 H new ATOM 0 HG3 LYS B 48 1.909 11.646 -2.060 1.00 6.75 H new ATOM 0 HD2 LYS B 48 4.306 11.988 -1.631 1.00 7.32 H new ATOM 0 HD3 LYS B 48 4.642 12.029 -3.350 1.00 7.32 H new ATOM 0 HE2 LYS B 48 4.555 14.306 -2.430 1.00 7.40 H new ATOM 0 HE3 LYS B 48 3.278 14.064 -3.606 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 2.573 15.205 -1.541 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 1.681 13.800 -1.877 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 2.880 13.778 -0.674 1.00 7.95 H new ATOM 1458 N GLN B 49 1.766 7.384 -4.863 1.00 5.05 N ATOM 1459 CA GLN B 49 2.117 6.077 -5.400 1.00 4.73 C ATOM 1460 C GLN B 49 3.565 6.085 -5.876 1.00 5.12 C ATOM 1461 O GLN B 49 3.958 6.936 -6.673 1.00 5.81 O ATOM 1462 CB GLN B 49 1.182 5.688 -6.547 1.00 4.93 C ATOM 1463 CG GLN B 49 1.409 4.274 -7.060 1.00 4.85 C ATOM 1464 CD GLN B 49 0.389 3.857 -8.099 1.00 5.12 C ATOM 1465 OE1 GLN B 49 -0.671 3.328 -7.767 1.00 5.27 O ATOM 1466 NE2 GLN B 49 0.701 4.094 -9.363 1.00 5.36 N ATOM 0 H GLN B 49 1.268 7.990 -5.515 1.00 5.05 H new ATOM 0 HA GLN B 49 2.005 5.336 -4.608 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.149 5.783 -6.212 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.316 6.391 -7.369 1.00 4.93 H new ATOM 0 HG2 GLN B 49 2.408 4.204 -7.490 1.00 4.85 H new ATOM 0 HG3 GLN B 49 1.373 3.578 -6.222 1.00 4.85 H new ATOM 0 HE21 GLN B 49 1.591 4.535 -9.595 1.00 5.36 H new ATOM 0 HE22 GLN B 49 0.051 3.836 -10.106 1.00 5.36 H new ATOM 1475 N LEU B 50 4.346 5.139 -5.377 1.00 4.71 N ATOM 1476 CA LEU B 50 5.756 5.043 -5.731 1.00 5.07 C ATOM 1477 C LEU B 50 5.939 4.324 -7.066 1.00 5.51 C ATOM 1478 O LEU B 50 5.554 3.163 -7.213 1.00 5.29 O ATOM 1479 CB LEU B 50 6.525 4.311 -4.625 1.00 4.53 C ATOM 1480 CG LEU B 50 6.136 4.688 -3.191 1.00 4.10 C ATOM 1481 CD1 LEU B 50 6.968 3.897 -2.193 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.306 6.180 -2.955 1.00 4.69 C ATOM 0 H LEU B 50 4.027 4.424 -4.723 1.00 4.71 H new ATOM 0 HA LEU B 50 6.153 6.053 -5.834 1.00 5.07 H new ATOM 0 HB2 LEU B 50 6.378 3.239 -4.753 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.589 4.505 -4.757 1.00 4.53 H new ATOM 0 HG LEU B 50 5.084 4.440 -3.048 1.00 4.10 H new ATOM 0 HD11 LEU B 50 6.681 4.175 -1.179 1.00 3.66 H new ATOM 0 HD12 LEU B 50 6.795 2.831 -2.340 1.00 3.66 H new ATOM 0 HD13 LEU B 50 8.025 4.118 -2.344 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.023 6.421 -1.930 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.347 6.458 -3.119 1.00 4.69 H new ATOM 0 HD23 LEU B 50 5.670 6.733 -3.646 1.00 4.69 H new ATOM 1494 N GLU B 51 6.509 5.026 -8.037 1.00 6.21 N ATOM 1495 CA GLU B 51 6.757 4.464 -9.361 1.00 6.75 C ATOM 1496 C GLU B 51 7.981 3.547 -9.339 1.00 6.81 C ATOM 1497 O GLU B 51 8.975 3.844 -8.681 1.00 6.81 O ATOM 1498 CB GLU B 51 6.950 5.593 -10.379 1.00 7.48 C ATOM 1499 CG GLU B 51 7.351 5.122 -11.770 1.00 8.08 C ATOM 1500 CD GLU B 51 8.062 6.199 -12.564 1.00 8.74 C ATOM 1501 OE1 GLU B 51 7.381 7.110 -13.085 1.00 9.03 O ATOM 1502 OE2 GLU B 51 9.305 6.145 -12.675 1.00 9.08 O ATOM 0 H GLU B 51 6.811 5.995 -7.932 1.00 6.21 H new ATOM 0 HA GLU B 51 5.893 3.868 -9.655 1.00 6.75 H new ATOM 0 HB2 GLU B 51 6.023 6.161 -10.454 1.00 7.48 H new ATOM 0 HB3 GLU B 51 7.713 6.276 -10.006 1.00 7.48 H new ATOM 0 HG2 GLU B 51 8.001 4.251 -11.682 1.00 8.08 H new ATOM 0 HG3 GLU B 51 6.461 4.803 -12.313 1.00 8.08 H new ATOM 1509 N ASP B 52 7.891 2.446 -10.079 1.00 6.95 N ATOM 1510 CA ASP B 52 8.958 1.442 -10.165 1.00 7.11 C ATOM 1511 C ASP B 52 10.315 2.051 -10.507 1.00 7.68 C ATOM 1512 O ASP B 52 11.332 1.707 -9.901 1.00 7.65 O ATOM 1513 CB ASP B 52 8.619 0.403 -11.236 1.00 7.41 C ATOM 1514 CG ASP B 52 7.921 -0.819 -10.681 1.00 6.92 C ATOM 1515 OD1 ASP B 52 7.785 -0.913 -9.440 1.00 6.84 O ATOM 1516 OD2 ASP B 52 7.503 -1.686 -11.472 1.00 6.71 O ATOM 0 H ASP B 52 7.071 2.219 -10.642 1.00 6.95 H new ATOM 0 HA ASP B 52 9.026 0.982 -9.179 1.00 7.11 H new ATOM 0 HB2 ASP B 52 7.984 0.864 -11.992 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.537 0.094 -11.736 1.00 7.41 H new ATOM 1521 N GLY B 53 10.320 2.960 -11.471 1.00 8.21 N ATOM 1522 CA GLY B 53 11.556 3.577 -11.908 1.00 8.81 C ATOM 1523 C GLY B 53 12.044 4.692 -11.001 1.00 8.72 C ATOM 1524 O GLY B 53 13.054 5.329 -11.300 1.00 9.22 O ATOM 0 H GLY B 53 9.486 3.283 -11.961 1.00 8.21 H new ATOM 0 HA2 GLY B 53 12.329 2.811 -11.973 1.00 8.81 H new ATOM 0 HA3 GLY B 53 11.416 3.975 -12.913 1.00 8.81 H new ATOM 1528 N ARG B 54 11.346 4.930 -9.899 1.00 8.14 N ATOM 1529 CA ARG B 54 11.738 5.978 -8.968 1.00 8.09 C ATOM 1530 C ARG B 54 12.421 5.373 -7.751 1.00 7.60 C ATOM 1531 O ARG B 54 12.314 4.170 -7.499 1.00 7.21 O ATOM 1532 CB ARG B 54 10.523 6.796 -8.525 1.00 7.88 C ATOM 1533 CG ARG B 54 9.837 7.547 -9.654 1.00 8.41 C ATOM 1534 CD ARG B 54 10.782 8.504 -10.357 1.00 9.15 C ATOM 1535 NE ARG B 54 11.177 8.005 -11.673 1.00 9.64 N ATOM 1536 CZ ARG B 54 12.234 8.451 -12.353 1.00 10.23 C ATOM 1537 NH1 ARG B 54 12.989 9.424 -11.853 1.00 10.39 N ATOM 1538 NH2 ARG B 54 12.535 7.922 -13.536 1.00 10.70 N ATOM 0 H ARG B 54 10.509 4.414 -9.629 1.00 8.14 H new ATOM 0 HA ARG B 54 12.436 6.641 -9.479 1.00 8.09 H new ATOM 0 HB2 ARG B 54 9.801 6.129 -8.055 1.00 7.88 H new ATOM 0 HB3 ARG B 54 10.837 7.511 -7.765 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.441 6.833 -10.376 1.00 8.41 H new ATOM 0 HG3 ARG B 54 8.988 8.103 -9.256 1.00 8.41 H new ATOM 0 HD2 ARG B 54 10.301 9.476 -10.466 1.00 9.15 H new ATOM 0 HD3 ARG B 54 11.670 8.655 -9.743 1.00 9.15 H new ATOM 0 HE ARG B 54 10.610 7.271 -12.097 1.00 9.64 H new ATOM 0 HH11 ARG B 54 12.761 9.832 -10.946 1.00 10.39 H new ATOM 0 HH12 ARG B 54 13.797 9.763 -12.376 1.00 10.39 H new ATOM 0 HH21 ARG B 54 11.957 7.176 -13.923 1.00 10.70 H new ATOM 0 HH22 ARG B 54 13.343 8.263 -14.056 1.00 10.70 H new ATOM 1552 N THR B 55 13.128 6.207 -7.006 1.00 7.68 N ATOM 1553 CA THR B 55 13.818 5.758 -5.807 1.00 7.27 C ATOM 1554 C THR B 55 13.104 6.268 -4.560 1.00 6.76 C ATOM 1555 O THR B 55 12.110 6.991 -4.656 1.00 6.83 O ATOM 1556 CB THR B 55 15.283 6.233 -5.788 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.343 7.646 -6.012 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.106 5.511 -6.846 1.00 8.15 C ATOM 0 H THR B 55 13.239 7.200 -7.211 1.00 7.68 H new ATOM 0 HA THR B 55 13.808 4.668 -5.814 1.00 7.27 H new ATOM 0 HB THR B 55 15.701 6.001 -4.808 1.00 7.75 H new ATOM 0 HG1 THR B 55 14.938 7.857 -6.879 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.136 5.866 -6.810 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.085 4.438 -6.654 1.00 8.15 H new ATOM 0 HG23 THR B 55 15.687 5.711 -7.832 1.00 8.15 H new ATOM 1566 N LEU B 56 13.623 5.911 -3.396 1.00 6.30 N ATOM 1567 CA LEU B 56 13.030 6.328 -2.132 1.00 5.87 C ATOM 1568 C LEU B 56 13.217 7.824 -1.899 1.00 6.39 C ATOM 1569 O LEU B 56 12.300 8.512 -1.442 1.00 6.35 O ATOM 1570 CB LEU B 56 13.645 5.535 -0.979 1.00 5.35 C ATOM 1571 CG LEU B 56 13.428 4.022 -1.050 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.387 3.304 -0.121 1.00 4.55 C ATOM 1573 CD2 LEU B 56 11.991 3.671 -0.702 1.00 4.34 C ATOM 0 H LEU B 56 14.457 5.331 -3.299 1.00 6.30 H new ATOM 0 HA LEU B 56 11.960 6.126 -2.177 1.00 5.87 H new ATOM 0 HB2 LEU B 56 14.717 5.733 -0.952 1.00 5.35 H new ATOM 0 HB3 LEU B 56 13.229 5.903 -0.041 1.00 5.35 H new ATOM 0 HG LEU B 56 13.625 3.695 -2.071 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.219 2.229 -0.184 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.413 3.528 -0.413 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.220 3.638 0.903 1.00 4.55 H new ATOM 0 HD21 LEU B 56 11.857 2.591 -0.758 1.00 4.34 H new ATOM 0 HD22 LEU B 56 11.768 4.013 0.309 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.317 4.158 -1.407 1.00 4.34 H new ATOM 1585 N SER B 57 14.392 8.337 -2.242 1.00 6.96 N ATOM 1586 CA SER B 57 14.685 9.751 -2.055 1.00 7.54 C ATOM 1587 C SER B 57 13.857 10.620 -3.000 1.00 7.98 C ATOM 1588 O SER B 57 13.733 11.827 -2.797 1.00 8.39 O ATOM 1589 CB SER B 57 16.176 10.006 -2.265 1.00 8.01 C ATOM 1590 OG SER B 57 16.750 9.000 -3.085 1.00 7.91 O ATOM 0 H SER B 57 15.155 7.796 -2.650 1.00 6.96 H new ATOM 0 HA SER B 57 14.416 10.023 -1.034 1.00 7.54 H new ATOM 0 HB2 SER B 57 16.321 10.983 -2.726 1.00 8.01 H new ATOM 0 HB3 SER B 57 16.685 10.030 -1.301 1.00 8.01 H new ATOM 0 HG SER B 57 17.705 9.183 -3.208 1.00 7.91 H new ATOM 1596 N ASP B 58 13.271 9.996 -4.017 1.00 7.94 N ATOM 1597 CA ASP B 58 12.459 10.717 -4.993 1.00 8.36 C ATOM 1598 C ASP B 58 11.143 11.169 -4.376 1.00 8.11 C ATOM 1599 O ASP B 58 10.539 12.136 -4.828 1.00 8.57 O ATOM 1600 CB ASP B 58 12.175 9.848 -6.219 1.00 8.35 C ATOM 1601 CG ASP B 58 13.324 9.832 -7.204 1.00 8.93 C ATOM 1602 OD1 ASP B 58 13.892 10.909 -7.487 1.00 9.53 O ATOM 1603 OD2 ASP B 58 13.671 8.741 -7.702 1.00 8.85 O ATOM 0 H ASP B 58 13.343 8.993 -4.187 1.00 7.94 H new ATOM 0 HA ASP B 58 13.026 11.594 -5.305 1.00 8.36 H new ATOM 0 HB2 ASP B 58 11.965 8.828 -5.896 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.279 10.215 -6.719 1.00 8.35 H new ATOM 1608 N TYR B 59 10.701 10.464 -3.342 1.00 7.43 N ATOM 1609 CA TYR B 59 9.450 10.802 -2.673 1.00 7.20 C ATOM 1610 C TYR B 59 9.710 11.311 -1.260 1.00 7.19 C ATOM 1611 O TYR B 59 8.797 11.379 -0.438 1.00 6.99 O ATOM 1612 CB TYR B 59 8.521 9.588 -2.626 1.00 6.47 C ATOM 1613 CG TYR B 59 8.075 9.114 -3.989 1.00 6.52 C ATOM 1614 CD1 TYR B 59 6.922 9.619 -4.578 1.00 6.55 C ATOM 1615 CD2 TYR B 59 8.802 8.158 -4.684 1.00 6.66 C ATOM 1616 CE1 TYR B 59 6.510 9.185 -5.823 1.00 6.65 C ATOM 1617 CE2 TYR B 59 8.395 7.718 -5.927 1.00 6.81 C ATOM 1618 CZ TYR B 59 7.251 8.233 -6.492 1.00 6.77 C ATOM 1619 OH TYR B 59 6.843 7.794 -7.731 1.00 6.97 O ATOM 0 H TYR B 59 11.187 9.658 -2.949 1.00 7.43 H new ATOM 0 HA TYR B 59 8.968 11.595 -3.245 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.030 8.771 -2.115 1.00 6.47 H new ATOM 0 HB3 TYR B 59 7.642 9.837 -2.032 1.00 6.47 H new ATOM 0 HD1 TYR B 59 6.339 10.362 -4.054 1.00 6.55 H new ATOM 0 HD2 TYR B 59 9.701 7.752 -4.245 1.00 6.66 H new ATOM 0 HE1 TYR B 59 5.613 9.588 -6.270 1.00 6.65 H new ATOM 0 HE2 TYR B 59 8.972 6.973 -6.454 1.00 6.81 H new ATOM 0 HH TYR B 59 5.867 7.708 -7.743 1.00 6.97 H new ATOM 1629 N ASN B 60 10.964 11.670 -0.998 1.00 7.47 N ATOM 1630 CA ASN B 60 11.385 12.177 0.311 1.00 7.55 C ATOM 1631 C ASN B 60 11.182 11.116 1.395 1.00 6.85 C ATOM 1632 O ASN B 60 10.834 11.424 2.537 1.00 6.88 O ATOM 1633 CB ASN B 60 10.636 13.474 0.672 1.00 8.14 C ATOM 1634 CG ASN B 60 11.249 14.206 1.856 1.00 8.48 C ATOM 1635 OD1 ASN B 60 12.570 14.198 1.948 1.00 8.51 O flip ATOM 1636 ND2 ASN B 60 10.540 14.784 2.681 1.00 8.82 N flip ATOM 0 H ASN B 60 11.718 11.619 -1.683 1.00 7.47 H new ATOM 0 HA ASN B 60 12.449 12.409 0.253 1.00 7.55 H new ATOM 0 HB2 ASN B 60 10.630 14.136 -0.194 1.00 8.14 H new ATOM 0 HB3 ASN B 60 9.597 13.236 0.898 1.00 8.14 H new ATOM 0 HD21 ASN B 60 9.525 14.770 2.580 1.00 8.82 H new ATOM 0 HD22 ASN B 60 10.968 15.276 3.465 1.00 8.82 H new ATOM 1643 N ILE B 61 11.407 9.863 1.033 1.00 6.28 N ATOM 1644 CA ILE B 61 11.264 8.769 1.975 1.00 5.59 C ATOM 1645 C ILE B 61 12.556 8.605 2.765 1.00 5.56 C ATOM 1646 O ILE B 61 13.571 8.154 2.232 1.00 5.56 O ATOM 1647 CB ILE B 61 10.910 7.446 1.264 1.00 4.98 C ATOM 1648 CG1 ILE B 61 9.593 7.598 0.496 1.00 5.03 C ATOM 1649 CG2 ILE B 61 10.815 6.302 2.270 1.00 4.29 C ATOM 1650 CD1 ILE B 61 9.334 6.481 -0.491 1.00 4.62 C ATOM 0 H ILE B 61 11.689 9.580 0.094 1.00 6.28 H new ATOM 0 HA ILE B 61 10.444 9.010 2.651 1.00 5.59 H new ATOM 0 HB ILE B 61 11.703 7.209 0.555 1.00 4.98 H new ATOM 0 HG12 ILE B 61 8.769 7.640 1.209 1.00 5.03 H new ATOM 0 HG13 ILE B 61 9.601 8.548 -0.038 1.00 5.03 H new ATOM 0 HG21 ILE B 61 10.565 5.378 1.748 1.00 4.29 H new ATOM 0 HG22 ILE B 61 11.772 6.184 2.778 1.00 4.29 H new ATOM 0 HG23 ILE B 61 10.040 6.526 3.003 1.00 4.29 H new ATOM 0 HD11 ILE B 61 8.385 6.656 -0.997 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.138 6.452 -1.227 1.00 4.62 H new ATOM 0 HD13 ILE B 61 9.293 5.529 0.039 1.00 4.62 H new ATOM 1662 N GLN B 62 12.517 9.008 4.026 1.00 5.63 N ATOM 1663 CA GLN B 62 13.680 8.919 4.894 1.00 5.66 C ATOM 1664 C GLN B 62 13.661 7.622 5.695 1.00 5.00 C ATOM 1665 O GLN B 62 12.808 6.758 5.479 1.00 4.51 O ATOM 1666 CB GLN B 62 13.721 10.125 5.834 1.00 6.23 C ATOM 1667 CG GLN B 62 13.873 11.450 5.106 1.00 6.94 C ATOM 1668 CD GLN B 62 13.707 12.643 6.024 1.00 7.54 C ATOM 1669 OE1 GLN B 62 12.611 13.183 6.169 1.00 8.05 O ATOM 1670 NE2 GLN B 62 14.791 13.062 6.652 1.00 7.56 N ATOM 0 H GLN B 62 11.688 9.401 4.472 1.00 5.63 H new ATOM 0 HA GLN B 62 14.577 8.920 4.274 1.00 5.66 H new ATOM 0 HB2 GLN B 62 12.806 10.147 6.426 1.00 6.23 H new ATOM 0 HB3 GLN B 62 14.550 10.005 6.532 1.00 6.23 H new ATOM 0 HG2 GLN B 62 14.856 11.492 4.637 1.00 6.94 H new ATOM 0 HG3 GLN B 62 13.135 11.507 4.306 1.00 6.94 H new ATOM 0 HE21 GLN B 62 15.681 12.587 6.505 1.00 7.56 H new ATOM 0 HE22 GLN B 62 14.738 13.861 7.284 1.00 7.56 H new ATOM 1679 N LYS B 63 14.598 7.492 6.623 1.00 5.05 N ATOM 1680 CA LYS B 63 14.693 6.304 7.460 1.00 4.56 C ATOM 1681 C LYS B 63 13.549 6.257 8.467 1.00 4.55 C ATOM 1682 O LYS B 63 12.973 7.292 8.805 1.00 5.02 O ATOM 1683 CB LYS B 63 16.038 6.277 8.188 1.00 4.73 C ATOM 1684 CG LYS B 63 16.290 7.503 9.052 1.00 5.32 C ATOM 1685 CD LYS B 63 17.452 7.283 10.004 1.00 5.47 C ATOM 1686 CE LYS B 63 17.537 8.396 11.037 1.00 6.08 C ATOM 1687 NZ LYS B 63 16.229 8.637 11.710 1.00 6.18 N ATOM 0 H LYS B 63 15.307 8.199 6.816 1.00 5.05 H new ATOM 0 HA LYS B 63 14.620 5.426 6.818 1.00 4.56 H new ATOM 0 HB2 LYS B 63 16.084 5.386 8.814 1.00 4.73 H new ATOM 0 HB3 LYS B 63 16.838 6.191 7.452 1.00 4.73 H new ATOM 0 HG2 LYS B 63 16.498 8.362 8.414 1.00 5.32 H new ATOM 0 HG3 LYS B 63 15.391 7.739 9.622 1.00 5.32 H new ATOM 0 HD2 LYS B 63 17.335 6.324 10.508 1.00 5.47 H new ATOM 0 HD3 LYS B 63 18.383 7.235 9.440 1.00 5.47 H new ATOM 0 HE2 LYS B 63 18.287 8.139 11.785 1.00 6.08 H new ATOM 0 HE3 LYS B 63 17.870 9.314 10.553 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 16.395 8.979 12.678 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 15.691 9.350 11.178 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 15.688 7.750 11.744 1.00 6.18 H new ATOM 1701 N GLU B 64 13.217 5.045 8.911 1.00 4.12 N ATOM 1702 CA GLU B 64 12.146 4.808 9.888 1.00 4.23 C ATOM 1703 C GLU B 64 10.754 5.077 9.308 1.00 4.21 C ATOM 1704 O GLU B 64 9.747 4.925 10.004 1.00 4.54 O ATOM 1705 CB GLU B 64 12.354 5.643 11.162 1.00 4.87 C ATOM 1706 CG GLU B 64 13.240 4.971 12.199 1.00 4.93 C ATOM 1707 CD GLU B 64 14.717 5.146 11.918 1.00 5.11 C ATOM 1708 OE1 GLU B 64 15.263 6.222 12.245 1.00 5.47 O ATOM 1709 OE2 GLU B 64 15.345 4.203 11.389 1.00 5.06 O ATOM 0 H GLU B 64 13.685 4.192 8.603 1.00 4.12 H new ATOM 0 HA GLU B 64 12.199 3.750 10.146 1.00 4.23 H new ATOM 0 HB2 GLU B 64 12.794 6.602 10.889 1.00 4.87 H new ATOM 0 HB3 GLU B 64 11.383 5.854 11.610 1.00 4.87 H new ATOM 0 HG2 GLU B 64 13.012 5.380 13.183 1.00 4.93 H new ATOM 0 HG3 GLU B 64 13.006 3.907 12.234 1.00 4.93 H new ATOM 1716 N SER B 65 10.691 5.460 8.039 1.00 3.91 N ATOM 1717 CA SER B 65 9.415 5.730 7.394 1.00 3.90 C ATOM 1718 C SER B 65 8.671 4.425 7.123 1.00 3.33 C ATOM 1719 O SER B 65 9.282 3.405 6.794 1.00 2.87 O ATOM 1720 CB SER B 65 9.630 6.498 6.088 1.00 4.00 C ATOM 1721 OG SER B 65 10.440 7.642 6.296 1.00 4.61 O ATOM 0 H SER B 65 11.506 5.590 7.439 1.00 3.91 H new ATOM 0 HA SER B 65 8.811 6.343 8.063 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.099 5.845 5.352 1.00 4.00 H new ATOM 0 HB3 SER B 65 8.667 6.801 5.678 1.00 4.00 H new ATOM 0 HG SER B 65 11.246 7.577 5.742 1.00 4.61 H new ATOM 1727 N THR B 66 7.358 4.458 7.281 1.00 3.44 N ATOM 1728 CA THR B 66 6.536 3.286 7.057 1.00 3.03 C ATOM 1729 C THR B 66 5.751 3.411 5.758 1.00 2.64 C ATOM 1730 O THR B 66 4.877 4.272 5.624 1.00 2.95 O ATOM 1731 CB THR B 66 5.556 3.060 8.223 1.00 3.54 C ATOM 1732 OG1 THR B 66 6.220 3.291 9.475 1.00 4.12 O ATOM 1733 CG2 THR B 66 4.998 1.644 8.195 1.00 3.37 C ATOM 0 H THR B 66 6.839 5.289 7.565 1.00 3.44 H new ATOM 0 HA THR B 66 7.208 2.431 6.989 1.00 3.03 H new ATOM 0 HB THR B 66 4.730 3.762 8.114 1.00 3.54 H new ATOM 0 HG1 THR B 66 5.589 3.147 10.211 1.00 4.12 H new ATOM 0 HG21 THR B 66 4.308 1.508 9.028 1.00 3.37 H new ATOM 0 HG22 THR B 66 4.470 1.480 7.256 1.00 3.37 H new ATOM 0 HG23 THR B 66 5.816 0.929 8.281 1.00 3.37 H new ATOM 1741 N LEU B 67 6.087 2.566 4.799 1.00 2.05 N ATOM 1742 CA LEU B 67 5.410 2.556 3.519 1.00 1.73 C ATOM 1743 C LEU B 67 4.188 1.665 3.618 1.00 1.35 C ATOM 1744 O LEU B 67 4.239 0.602 4.240 1.00 1.37 O ATOM 1745 CB LEU B 67 6.345 2.047 2.417 1.00 1.57 C ATOM 1746 CG LEU B 67 7.703 2.750 2.334 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.586 2.073 1.300 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.520 4.221 1.993 1.00 2.73 C ATOM 0 H LEU B 67 6.831 1.874 4.886 1.00 2.05 H new ATOM 0 HA LEU B 67 5.108 3.572 3.263 1.00 1.73 H new ATOM 0 HB2 LEU B 67 6.515 0.981 2.571 1.00 1.57 H new ATOM 0 HB3 LEU B 67 5.840 2.154 1.457 1.00 1.57 H new ATOM 0 HG LEU B 67 8.190 2.679 3.307 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.548 2.584 1.252 1.00 2.27 H new ATOM 0 HD12 LEU B 67 8.742 1.031 1.581 1.00 2.27 H new ATOM 0 HD13 LEU B 67 8.103 2.117 0.324 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.495 4.706 1.938 1.00 2.73 H new ATOM 0 HD22 LEU B 67 7.015 4.311 1.031 1.00 2.73 H new ATOM 0 HD23 LEU B 67 6.919 4.701 2.765 1.00 2.73 H new ATOM 1760 N HIS B 68 3.085 2.096 3.034 1.00 1.33 N ATOM 1761 CA HIS B 68 1.866 1.312 3.082 1.00 1.10 C ATOM 1762 C HIS B 68 1.786 0.377 1.890 1.00 0.56 C ATOM 1763 O HIS B 68 1.596 0.808 0.753 1.00 0.78 O ATOM 1764 CB HIS B 68 0.630 2.209 3.140 1.00 1.57 C ATOM 1765 CG HIS B 68 0.030 2.292 4.513 1.00 2.36 C ATOM 1766 ND1 HIS B 68 -0.596 1.228 5.132 1.00 2.80 N ATOM 1767 CD2 HIS B 68 -0.025 3.319 5.393 1.00 3.18 C ATOM 1768 CE1 HIS B 68 -1.010 1.600 6.329 1.00 3.58 C ATOM 1769 NE2 HIS B 68 -0.675 2.863 6.513 1.00 3.83 N ATOM 0 H HIS B 68 3.008 2.977 2.525 1.00 1.33 H new ATOM 0 HA HIS B 68 1.890 0.715 3.994 1.00 1.10 H new ATOM 0 HB2 HIS B 68 0.899 3.211 2.806 1.00 1.57 H new ATOM 0 HB3 HIS B 68 -0.119 1.831 2.444 1.00 1.57 H new ATOM 0 HD1 HIS B 68 -0.719 0.300 4.728 1.00 2.80 H new ATOM 0 HD2 HIS B 68 0.369 4.313 5.242 1.00 3.18 H new ATOM 0 HE1 HIS B 68 -1.534 0.976 7.038 1.00 3.58 H new ATOM 1778 N LEU B 69 1.953 -0.904 2.163 1.00 0.85 N ATOM 1779 CA LEU B 69 1.893 -1.919 1.133 1.00 1.28 C ATOM 1780 C LEU B 69 0.448 -2.340 0.917 1.00 1.50 C ATOM 1781 O LEU B 69 -0.046 -3.273 1.553 1.00 1.96 O ATOM 1782 CB LEU B 69 2.753 -3.126 1.521 1.00 1.92 C ATOM 1783 CG LEU B 69 2.806 -4.250 0.485 1.00 2.60 C ATOM 1784 CD1 LEU B 69 3.465 -3.772 -0.799 1.00 2.68 C ATOM 1785 CD2 LEU B 69 3.541 -5.456 1.050 1.00 3.24 C ATOM 0 H LEU B 69 2.133 -1.266 3.099 1.00 0.85 H new ATOM 0 HA LEU B 69 2.286 -1.508 0.203 1.00 1.28 H new ATOM 0 HB2 LEU B 69 3.769 -2.781 1.711 1.00 1.92 H new ATOM 0 HB3 LEU B 69 2.375 -3.535 2.458 1.00 1.92 H new ATOM 0 HG LEU B 69 1.784 -4.547 0.248 1.00 2.60 H new ATOM 0 HD11 LEU B 69 3.491 -4.589 -1.520 1.00 2.68 H new ATOM 0 HD12 LEU B 69 2.895 -2.940 -1.213 1.00 2.68 H new ATOM 0 HD13 LEU B 69 4.482 -3.444 -0.586 1.00 2.68 H new ATOM 0 HD21 LEU B 69 3.571 -6.248 0.301 1.00 3.24 H new ATOM 0 HD22 LEU B 69 4.559 -5.170 1.316 1.00 3.24 H new ATOM 0 HD23 LEU B 69 3.021 -5.816 1.938 1.00 3.24 H new ATOM 1797 N VAL B 70 -0.240 -1.612 0.055 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.626 -1.908 -0.253 1.00 1.60 C ATOM 1799 C VAL B 70 -1.698 -3.148 -1.127 1.00 2.32 C ATOM 1800 O VAL B 70 -1.355 -3.106 -2.310 1.00 2.64 O ATOM 1801 CB VAL B 70 -2.318 -0.726 -0.965 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.784 -1.033 -1.225 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -2.176 0.549 -0.147 1.00 0.88 C ATOM 0 H VAL B 70 0.141 -0.809 -0.445 1.00 1.39 H new ATOM 0 HA VAL B 70 -2.150 -2.083 0.687 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.827 -0.575 -1.926 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -4.250 -0.185 -1.727 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.864 -1.918 -1.857 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -4.291 -1.217 -0.278 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.670 1.371 -0.665 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.637 0.407 0.831 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -1.119 0.784 -0.019 1.00 0.88 H new ATOM 1813 N LEU B 71 -2.103 -4.260 -0.530 1.00 2.72 N ATOM 1814 CA LEU B 71 -2.211 -5.514 -1.256 1.00 3.42 C ATOM 1815 C LEU B 71 -3.352 -5.455 -2.265 1.00 3.52 C ATOM 1816 O LEU B 71 -4.525 -5.540 -1.906 1.00 3.46 O ATOM 1817 CB LEU B 71 -2.407 -6.687 -0.289 1.00 3.93 C ATOM 1818 CG LEU B 71 -1.146 -7.509 -0.014 1.00 4.27 C ATOM 1819 CD1 LEU B 71 -0.137 -6.696 0.775 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -1.492 -8.793 0.723 1.00 4.99 C ATOM 0 H LEU B 71 -2.362 -4.318 0.455 1.00 2.72 H new ATOM 0 HA LEU B 71 -1.280 -5.672 -1.800 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -2.785 -6.300 0.657 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -3.174 -7.348 -0.693 1.00 3.93 H new ATOM 0 HG LEU B 71 -0.697 -7.774 -0.971 1.00 4.27 H new ATOM 0 HD11 LEU B 71 0.752 -7.299 0.960 1.00 4.40 H new ATOM 0 HD12 LEU B 71 0.139 -5.808 0.207 1.00 4.40 H new ATOM 0 HD13 LEU B 71 -0.576 -6.396 1.727 1.00 4.40 H new ATOM 0 HD21 LEU B 71 -0.581 -9.363 0.909 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -1.968 -8.550 1.673 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -2.175 -9.388 0.116 1.00 4.99 H new ATOM 1832 N ARG B 72 -2.988 -5.295 -3.528 1.00 3.80 N ATOM 1833 CA ARG B 72 -3.958 -5.215 -4.606 1.00 4.03 C ATOM 1834 C ARG B 72 -4.358 -6.610 -5.073 1.00 4.67 C ATOM 1835 O ARG B 72 -3.799 -7.143 -6.034 1.00 5.21 O ATOM 1836 CB ARG B 72 -3.381 -4.404 -5.769 1.00 4.25 C ATOM 1837 CG ARG B 72 -4.339 -4.221 -6.936 1.00 4.52 C ATOM 1838 CD ARG B 72 -3.740 -3.330 -8.013 1.00 4.87 C ATOM 1839 NE ARG B 72 -2.432 -3.809 -8.470 1.00 5.41 N ATOM 1840 CZ ARG B 72 -1.606 -3.099 -9.241 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -1.960 -1.885 -9.650 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -0.433 -3.604 -9.606 1.00 6.44 N ATOM 0 H ARG B 72 -2.017 -5.217 -3.832 1.00 3.80 H new ATOM 0 HA ARG B 72 -4.852 -4.712 -4.236 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -3.083 -3.422 -5.400 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -2.478 -4.897 -6.129 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -4.585 -5.194 -7.362 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -5.271 -3.784 -6.578 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -4.423 -3.281 -8.861 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -3.638 -2.316 -7.627 1.00 4.87 H new ATOM 0 HE ARG B 72 -2.135 -4.741 -8.181 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -2.862 -1.497 -9.375 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -1.329 -1.341 -10.239 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -0.161 -4.537 -9.297 1.00 6.44 H new ATOM 0 HH22 ARG B 72 0.196 -3.059 -10.195 1.00 6.44 H new ATOM 1856 N LEU B 73 -5.303 -7.208 -4.367 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.784 -8.532 -4.715 1.00 5.30 C ATOM 1858 C LEU B 73 -7.021 -8.431 -5.591 1.00 5.53 C ATOM 1859 O LEU B 73 -7.780 -7.462 -5.503 1.00 5.25 O ATOM 1860 CB LEU B 73 -6.099 -9.348 -3.460 1.00 5.36 C ATOM 1861 CG LEU B 73 -4.921 -10.125 -2.876 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -3.991 -9.201 -2.112 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -5.418 -11.240 -1.975 1.00 6.22 C ATOM 0 H LEU B 73 -5.752 -6.796 -3.549 1.00 4.67 H new ATOM 0 HA LEU B 73 -4.996 -9.042 -5.269 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -6.484 -8.674 -2.695 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -6.897 -10.052 -3.695 1.00 5.36 H new ATOM 0 HG LEU B 73 -4.361 -10.566 -3.700 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -3.160 -9.777 -1.705 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -3.607 -8.434 -2.785 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -4.538 -8.727 -1.297 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -4.567 -11.785 -1.567 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -6.002 -10.815 -1.159 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -6.042 -11.923 -2.551 1.00 6.22 H new ATOM 1875 N ARG B 74 -7.220 -9.430 -6.434 1.00 6.12 N ATOM 1876 CA ARG B 74 -8.362 -9.456 -7.333 1.00 6.46 C ATOM 1877 C ARG B 74 -9.615 -9.930 -6.605 1.00 6.87 C ATOM 1878 O ARG B 74 -9.906 -11.125 -6.552 1.00 7.38 O ATOM 1879 CB ARG B 74 -8.073 -10.353 -8.541 1.00 6.96 C ATOM 1880 CG ARG B 74 -7.537 -9.600 -9.751 1.00 7.09 C ATOM 1881 CD ARG B 74 -6.239 -8.869 -9.438 1.00 7.58 C ATOM 1882 NE ARG B 74 -5.107 -9.785 -9.291 1.00 8.13 N ATOM 1883 CZ ARG B 74 -3.839 -9.449 -9.519 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -3.526 -8.208 -9.875 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -2.876 -10.356 -9.392 1.00 9.16 N ATOM 0 H ARG B 74 -6.602 -10.238 -6.515 1.00 6.12 H new ATOM 0 HA ARG B 74 -8.538 -8.441 -7.688 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -7.351 -11.116 -8.251 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -8.989 -10.872 -8.824 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -7.370 -10.300 -10.569 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -8.284 -8.883 -10.092 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -6.025 -8.156 -10.234 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -6.360 -8.295 -8.520 1.00 7.58 H new ATOM 0 HE ARG B 74 -5.302 -10.741 -8.995 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -4.259 -7.506 -9.975 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -2.553 -7.957 -10.048 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -3.108 -11.311 -9.120 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -1.905 -10.097 -9.567 1.00 9.16 H new ATOM 1899 N GLY B 75 -10.339 -8.981 -6.036 1.00 6.78 N ATOM 1900 CA GLY B 75 -11.552 -9.291 -5.313 1.00 7.22 C ATOM 1901 C GLY B 75 -12.235 -8.038 -4.804 1.00 7.03 C ATOM 1902 O GLY B 75 -11.629 -6.962 -4.787 1.00 7.21 O ATOM 0 H GLY B 75 -10.104 -7.989 -6.063 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -12.234 -9.839 -5.964 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -11.318 -9.945 -4.473 1.00 7.22 H new ATOM 1906 N GLY B 76 -13.487 -8.169 -4.395 1.00 6.90 N ATOM 1907 CA GLY B 76 -14.228 -7.032 -3.895 1.00 6.84 C ATOM 1908 C GLY B 76 -14.931 -6.295 -5.013 1.00 7.02 C ATOM 1909 O GLY B 76 -15.197 -5.084 -4.872 1.00 7.18 O ATOM 1910 OXT GLY B 76 -15.220 -6.926 -6.048 1.00 7.20 O ATOM 0 H GLY B 76 -14.005 -9.048 -4.401 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -14.961 -7.368 -3.162 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -13.550 -6.352 -3.379 1.00 6.84 H new TER 1914 GLY B 76