USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1073 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS :FLIP no HD1:sc= -3.27! C(o=-10!,f=-9.5!) USER MOD Set 1.2: A 128 HIS :FLIP no HE2:sc= -6.23! C(o=-10!,f=-9.5!) USER MOD Set 2.1: A 74 SER OG : rot 121:sc= 1.92 USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= -0.459 USER MOD Set 3.1: A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 82 HIS : no HE2:sc= 0 K(o=0,f=-3.2!) USER MOD Set 4.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 69 ASN : amide:sc= -0.682 K(o=-0.68,f=-3.5!) USER MOD Set 5.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 50 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Set 6.1: A 33 TYR OH : rot -92:sc= 0.146 USER MOD Set 6.2: A 38 LYS NZ :NH3+ -140:sc= 0.736 (180deg=0) USER MOD Set 7.1: A 27 MET CE :methyl -142:sc= -5.65! (180deg=-5.19!) USER MOD Set 7.2: A 31 ASN :FLIP amide:sc= -2.9! F(o=-9.6,f=-8.4!) USER MOD Set 7.3: A 98 TYR OH : rot -124:sc= 0.164 USER MOD Set 8.1: A 14 GLN : amide:sc= -0.574 K(o=-1.8,f=-3.3) USER MOD Set 8.2: A 41 ASN :FLIP amide:sc= -1.27 F(o=-3.3!,f=-1.8) USER MOD Single : A 1 ARG N :NH3+ 158:sc= -0.713 (180deg=-1.97) USER MOD Single : A 4 GLN : amide:sc=-0.000794 X(o=-0.00079,f=0) USER MOD Single : A 6 THR OG1 : rot -120:sc= -0.211 USER MOD Single : A 9 GLN :FLIP amide:sc= -2.14 F(o=-6.6!,f=-2.1) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -2.17 F(o=-4.8!,f=-2.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.9!) USER MOD Single : A 39 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.39) USER MOD Single : A 46 THR OG1 : rot 160:sc= -1.02 USER MOD Single : A 53 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.11) USER MOD Single : A 57 ASN : amide:sc= -1.5 K(o=-1.5,f=-3.2!) USER MOD Single : A 58 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A 67 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc= -4.59! C(o=-4.6!,f=-6.3!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -7.81! C(o=-10!,f=-7.8!) USER MOD Single : A 87 ASN : amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.884 X(o=-0.88,f=-1.3!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 113 ASN : amide:sc= -0.124 K(o=-0.12,f=-5!) USER MOD Single : A 119 SER OG : rot 150:sc= -1.11 USER MOD Single : A 122 TYR OH : rot 180:sc=-0.00289 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0443 USER MOD Single : A 132 THR OG1 : rot 47:sc= 0.0666 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.867 -9.271 -0.939 1.00 0.00 N ATOM 2 CA ARG A 1 7.757 -9.132 -2.085 1.00 20.13 C ATOM 3 C ARG A 1 8.191 -10.499 -2.606 1.00 32.44 C ATOM 4 O ARG A 1 9.286 -10.982 -2.318 1.00 70.44 O ATOM 5 CB ARG A 1 8.987 -8.306 -1.706 1.00 2.02 C ATOM 6 CG ARG A 1 9.718 -8.828 -0.479 1.00 34.40 C ATOM 7 CD ARG A 1 9.176 -8.206 0.799 1.00 72.31 C ATOM 8 NE ARG A 1 10.085 -8.392 1.926 1.00 52.03 N ATOM 9 CZ ARG A 1 10.166 -9.517 2.627 1.00 31.35 C ATOM 10 NH1 ARG A 1 9.396 -10.551 2.319 1.00 30.41 N ATOM 11 NH2 ARG A 1 11.019 -9.609 3.640 1.00 63.40 N ATOM 0 H1 ARG A 1 6.880 -8.393 -0.381 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.899 -9.456 -1.272 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.186 -10.063 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 1 7.211 -8.617 -2.876 1.00 20.13 H new ATOM 0 HB2 ARG A 1 9.677 -8.290 -2.550 1.00 2.02 H new ATOM 0 HB3 ARG A 1 8.680 -7.276 -1.525 1.00 2.02 H new ATOM 0 HG2 ARG A 1 9.618 -9.912 -0.428 1.00 34.40 H new ATOM 0 HG3 ARG A 1 10.782 -8.610 -0.568 1.00 34.40 H new ATOM 0 HD2 ARG A 1 9.008 -7.141 0.641 1.00 72.31 H new ATOM 0 HD3 ARG A 1 8.209 -8.649 1.036 1.00 72.31 H new ATOM 0 HE ARG A 1 10.691 -7.615 2.190 1.00 52.03 H new ATOM 0 HH11 ARG A 1 8.739 -10.484 1.542 1.00 30.41 H new ATOM 0 HH12 ARG A 1 9.461 -11.414 2.859 1.00 30.41 H new ATOM 0 HH21 ARG A 1 11.613 -8.815 3.880 1.00 63.40 H new ATOM 0 HH22 ARG A 1 11.081 -10.473 4.178 1.00 63.40 H new ATOM 25 N PRO A 2 7.310 -11.140 -3.389 1.00 63.31 N ATOM 26 CA PRO A 2 7.580 -12.461 -3.966 1.00 32.15 C ATOM 27 C PRO A 2 8.656 -12.414 -5.045 1.00 51.42 C ATOM 28 O PRO A 2 9.072 -11.346 -5.495 1.00 11.14 O ATOM 29 CB PRO A 2 6.233 -12.865 -4.570 1.00 43.04 C ATOM 30 CG PRO A 2 5.541 -11.576 -4.850 1.00 52.31 C ATOM 31 CD PRO A 2 5.985 -10.626 -3.773 1.00 2.01 C ATOM 0 HA PRO A 2 7.956 -13.162 -3.221 1.00 32.15 H new ATOM 0 HB2 PRO A 2 6.367 -13.448 -5.481 1.00 43.04 H new ATOM 0 HB3 PRO A 2 5.658 -13.481 -3.879 1.00 43.04 H new ATOM 0 HG2 PRO A 2 5.805 -11.198 -5.837 1.00 52.31 H new ATOM 0 HG3 PRO A 2 4.459 -11.703 -4.836 1.00 52.31 H new ATOM 0 HD2 PRO A 2 6.043 -9.601 -4.140 1.00 2.01 H new ATOM 0 HD3 PRO A 2 5.295 -10.624 -2.929 1.00 2.01 H new ATOM 39 N PRO A 3 9.118 -13.598 -5.473 1.00 41.43 N ATOM 40 CA PRO A 3 10.151 -13.718 -6.507 1.00 11.03 C ATOM 41 C PRO A 3 9.644 -13.307 -7.885 1.00 30.15 C ATOM 42 O PRO A 3 10.384 -13.351 -8.867 1.00 4.44 O ATOM 43 CB PRO A 3 10.500 -15.208 -6.488 1.00 5.51 C ATOM 44 CG PRO A 3 9.279 -15.877 -5.960 1.00 11.24 C ATOM 45 CD PRO A 3 8.668 -14.911 -4.983 1.00 35.24 C ATOM 0 HA PRO A 3 11.001 -13.064 -6.311 1.00 11.03 H new ATOM 0 HB2 PRO A 3 10.749 -15.569 -7.486 1.00 5.51 H new ATOM 0 HB3 PRO A 3 11.364 -15.404 -5.854 1.00 5.51 H new ATOM 0 HG2 PRO A 3 8.583 -16.110 -6.765 1.00 11.24 H new ATOM 0 HG3 PRO A 3 9.530 -16.819 -5.472 1.00 11.24 H new ATOM 0 HD2 PRO A 3 7.581 -14.985 -4.972 1.00 35.24 H new ATOM 0 HD3 PRO A 3 9.010 -15.099 -3.965 1.00 35.24 H new ATOM 53 N GLN A 4 8.378 -12.907 -7.949 1.00 14.03 N ATOM 54 CA GLN A 4 7.772 -12.489 -9.208 1.00 41.00 C ATOM 55 C GLN A 4 7.576 -10.977 -9.242 1.00 12.42 C ATOM 56 O GLN A 4 7.686 -10.350 -10.295 1.00 42.12 O ATOM 57 CB GLN A 4 6.430 -13.193 -9.411 1.00 62.25 C ATOM 58 CG GLN A 4 6.557 -14.584 -10.011 1.00 4.23 C ATOM 59 CD GLN A 4 5.395 -15.486 -9.646 1.00 62.52 C ATOM 60 OE1 GLN A 4 4.573 -15.833 -10.495 1.00 22.52 O ATOM 61 NE2 GLN A 4 5.320 -15.872 -8.378 1.00 11.42 N ATOM 0 H GLN A 4 7.752 -12.864 -7.145 1.00 14.03 H new ATOM 0 HA GLN A 4 8.447 -12.768 -10.017 1.00 41.00 H new ATOM 0 HB2 GLN A 4 5.919 -13.266 -8.451 1.00 62.25 H new ATOM 0 HB3 GLN A 4 5.803 -12.582 -10.061 1.00 62.25 H new ATOM 0 HG2 GLN A 4 6.622 -14.503 -11.096 1.00 4.23 H new ATOM 0 HG3 GLN A 4 7.487 -15.039 -9.669 1.00 4.23 H new ATOM 0 HE21 GLN A 4 6.023 -15.561 -7.708 1.00 11.42 H new ATOM 0 HE22 GLN A 4 4.559 -16.480 -8.074 1.00 11.42 H new ATOM 70 N PHE A 5 7.287 -10.396 -8.082 1.00 35.53 N ATOM 71 CA PHE A 5 7.074 -8.957 -7.979 1.00 61.41 C ATOM 72 C PHE A 5 8.122 -8.316 -7.074 1.00 0.13 C ATOM 73 O PHE A 5 8.519 -8.890 -6.060 1.00 21.50 O ATOM 74 CB PHE A 5 5.672 -8.665 -7.441 1.00 33.43 C ATOM 75 CG PHE A 5 4.612 -9.567 -8.006 1.00 74.53 C ATOM 76 CD1 PHE A 5 4.415 -9.652 -9.375 1.00 31.40 C ATOM 77 CD2 PHE A 5 3.814 -10.331 -7.170 1.00 11.24 C ATOM 78 CE1 PHE A 5 3.440 -10.481 -9.898 1.00 74.33 C ATOM 79 CE2 PHE A 5 2.838 -11.161 -7.687 1.00 1.13 C ATOM 80 CZ PHE A 5 2.652 -11.237 -9.053 1.00 22.33 C ATOM 0 H PHE A 5 7.195 -10.900 -7.200 1.00 35.53 H new ATOM 0 HA PHE A 5 7.169 -8.528 -8.977 1.00 61.41 H new ATOM 0 HB2 PHE A 5 5.681 -8.764 -6.355 1.00 33.43 H new ATOM 0 HB3 PHE A 5 5.414 -7.630 -7.665 1.00 33.43 H new ATOM 0 HD1 PHE A 5 5.030 -9.064 -10.041 1.00 31.40 H new ATOM 0 HD2 PHE A 5 3.957 -10.277 -6.101 1.00 11.24 H new ATOM 0 HE1 PHE A 5 3.295 -10.537 -10.967 1.00 74.33 H new ATOM 0 HE2 PHE A 5 2.221 -11.749 -7.024 1.00 1.13 H new ATOM 0 HZ PHE A 5 1.891 -11.887 -9.460 1.00 22.33 H new ATOM 90 N THR A 6 8.567 -7.121 -7.449 1.00 1.03 N ATOM 91 CA THR A 6 9.570 -6.401 -6.673 1.00 35.41 C ATOM 92 C THR A 6 8.997 -5.921 -5.345 1.00 1.24 C ATOM 93 O THR A 6 7.860 -6.241 -4.996 1.00 44.10 O ATOM 94 CB THR A 6 10.117 -5.189 -7.450 1.00 64.45 C ATOM 95 OG1 THR A 6 9.118 -4.689 -8.345 1.00 70.34 O ATOM 96 CG2 THR A 6 11.363 -5.570 -8.236 1.00 42.53 C ATOM 0 H THR A 6 8.249 -6.631 -8.285 1.00 1.03 H new ATOM 0 HA THR A 6 10.384 -7.100 -6.483 1.00 35.41 H new ATOM 0 HB THR A 6 10.381 -4.413 -6.731 1.00 64.45 H new ATOM 0 HG1 THR A 6 9.451 -4.736 -9.266 1.00 70.34 H new ATOM 0 HG21 THR A 6 11.732 -4.699 -8.777 1.00 42.53 H new ATOM 0 HG22 THR A 6 12.132 -5.924 -7.550 1.00 42.53 H new ATOM 0 HG23 THR A 6 11.118 -6.361 -8.945 1.00 42.53 H new ATOM 104 N ARG A 7 9.791 -5.151 -4.607 1.00 75.44 N ATOM 105 CA ARG A 7 9.362 -4.628 -3.316 1.00 2.43 C ATOM 106 C ARG A 7 8.377 -3.477 -3.496 1.00 15.11 C ATOM 107 O ARG A 7 7.459 -3.301 -2.694 1.00 45.15 O ATOM 108 CB ARG A 7 10.572 -4.155 -2.506 1.00 33.41 C ATOM 109 CG ARG A 7 11.424 -5.292 -1.967 1.00 30.02 C ATOM 110 CD ARG A 7 12.354 -4.815 -0.862 1.00 41.52 C ATOM 111 NE ARG A 7 13.306 -5.847 -0.464 1.00 23.10 N ATOM 112 CZ ARG A 7 14.447 -5.592 0.167 1.00 15.11 C ATOM 113 NH1 ARG A 7 14.774 -4.343 0.471 1.00 61.31 N ATOM 114 NH2 ARG A 7 15.263 -6.585 0.496 1.00 30.43 N ATOM 0 H ARG A 7 10.734 -4.876 -4.881 1.00 75.44 H new ATOM 0 HA ARG A 7 8.862 -5.431 -2.775 1.00 2.43 H new ATOM 0 HB2 ARG A 7 11.191 -3.514 -3.134 1.00 33.41 H new ATOM 0 HB3 ARG A 7 10.225 -3.545 -1.672 1.00 33.41 H new ATOM 0 HG2 ARG A 7 10.778 -6.083 -1.585 1.00 30.02 H new ATOM 0 HG3 ARG A 7 12.011 -5.724 -2.777 1.00 30.02 H new ATOM 0 HD2 ARG A 7 12.897 -3.933 -1.201 1.00 41.52 H new ATOM 0 HD3 ARG A 7 11.764 -4.513 0.003 1.00 41.52 H new ATOM 0 HE ARG A 7 13.083 -6.818 -0.682 1.00 23.10 H new ATOM 0 HH11 ARG A 7 14.149 -3.577 0.220 1.00 61.31 H new ATOM 0 HH12 ARG A 7 15.650 -4.149 0.955 1.00 61.31 H new ATOM 0 HH21 ARG A 7 15.015 -7.547 0.265 1.00 30.43 H new ATOM 0 HH22 ARG A 7 16.138 -6.387 0.980 1.00 30.43 H new ATOM 128 N ALA A 8 8.573 -2.696 -4.554 1.00 14.14 N ATOM 129 CA ALA A 8 7.700 -1.563 -4.840 1.00 24.14 C ATOM 130 C ALA A 8 6.503 -1.992 -5.680 1.00 74.12 C ATOM 131 O ALA A 8 5.359 -1.914 -5.232 1.00 5.14 O ATOM 132 CB ALA A 8 8.479 -0.464 -5.547 1.00 30.33 C ATOM 0 H ALA A 8 9.328 -2.827 -5.227 1.00 14.14 H new ATOM 0 HA ALA A 8 7.325 -1.175 -3.893 1.00 24.14 H new ATOM 0 HB1 ALA A 8 7.816 0.376 -5.755 1.00 30.33 H new ATOM 0 HB2 ALA A 8 9.298 -0.131 -4.910 1.00 30.33 H new ATOM 0 HB3 ALA A 8 8.882 -0.849 -6.484 1.00 30.33 H new ATOM 138 N GLN A 9 6.773 -2.443 -6.901 1.00 20.13 N ATOM 139 CA GLN A 9 5.716 -2.882 -7.804 1.00 65.42 C ATOM 140 C GLN A 9 4.740 -3.811 -7.090 1.00 11.02 C ATOM 141 O GLN A 9 3.564 -3.884 -7.446 1.00 25.24 O ATOM 142 CB GLN A 9 6.317 -3.591 -9.019 1.00 71.13 C ATOM 143 CG GLN A 9 6.360 -5.104 -8.881 1.00 74.21 C ATOM 144 CD GLN A 9 5.174 -5.784 -9.538 1.00 13.25 C ATOM 145 OE1 GLN A 9 4.160 -6.104 -8.742 1.00 72.24 O flip ATOM 146 NE2 GLN A 9 5.170 -6.019 -10.746 1.00 54.42 N flip ATOM 0 H GLN A 9 7.714 -2.514 -7.287 1.00 20.13 H new ATOM 0 HA GLN A 9 5.170 -2.000 -8.139 1.00 65.42 H new ATOM 0 HB2 GLN A 9 5.737 -3.332 -9.904 1.00 71.13 H new ATOM 0 HB3 GLN A 9 7.329 -3.220 -9.182 1.00 71.13 H new ATOM 0 HG2 GLN A 9 7.282 -5.480 -9.326 1.00 74.21 H new ATOM 0 HG3 GLN A 9 6.386 -5.368 -7.824 1.00 74.21 H new ATOM 0 HE21 GLN A 9 5.971 -5.755 -11.319 1.00 54.42 H new ATOM 0 HE22 GLN A 9 4.365 -6.477 -11.174 1.00 54.42 H new ATOM 155 N TRP A 10 5.236 -4.518 -6.080 1.00 62.10 N ATOM 156 CA TRP A 10 4.407 -5.443 -5.316 1.00 10.40 C ATOM 157 C TRP A 10 3.630 -4.708 -4.229 1.00 2.43 C ATOM 158 O TRP A 10 2.554 -5.142 -3.820 1.00 1.35 O ATOM 159 CB TRP A 10 5.272 -6.537 -4.690 1.00 5.41 C ATOM 160 CG TRP A 10 4.475 -7.621 -4.029 1.00 50.23 C ATOM 161 CD1 TRP A 10 4.654 -8.118 -2.769 1.00 73.43 C ATOM 162 CD2 TRP A 10 3.374 -8.341 -4.595 1.00 50.24 C ATOM 163 NE1 TRP A 10 3.730 -9.105 -2.519 1.00 32.22 N ATOM 164 CE2 TRP A 10 2.933 -9.259 -3.622 1.00 25.10 C ATOM 165 CE3 TRP A 10 2.717 -8.298 -5.827 1.00 44.32 C ATOM 166 CZ2 TRP A 10 1.867 -10.127 -3.847 1.00 0.40 C ATOM 167 CZ3 TRP A 10 1.660 -9.159 -6.048 1.00 73.44 C ATOM 168 CH2 TRP A 10 1.242 -10.063 -5.063 1.00 12.42 C ATOM 0 H TRP A 10 6.207 -4.468 -5.772 1.00 62.10 H new ATOM 0 HA TRP A 10 3.693 -5.901 -6.000 1.00 10.40 H new ATOM 0 HB2 TRP A 10 5.901 -6.979 -5.463 1.00 5.41 H new ATOM 0 HB3 TRP A 10 5.939 -6.086 -3.955 1.00 5.41 H new ATOM 0 HD1 TRP A 10 5.409 -7.785 -2.073 1.00 73.43 H new ATOM 0 HE1 TRP A 10 3.651 -9.637 -1.652 1.00 32.22 H new ATOM 0 HE3 TRP A 10 3.030 -7.604 -6.593 1.00 44.32 H new ATOM 0 HZ2 TRP A 10 1.545 -10.826 -3.089 1.00 0.40 H new ATOM 0 HZ3 TRP A 10 1.146 -9.135 -6.998 1.00 73.44 H new ATOM 0 HH2 TRP A 10 0.411 -10.722 -5.267 1.00 12.42 H new ATOM 179 N PHE A 11 4.184 -3.592 -3.765 1.00 72.05 N ATOM 180 CA PHE A 11 3.543 -2.796 -2.724 1.00 73.13 C ATOM 181 C PHE A 11 2.225 -2.209 -3.223 1.00 51.13 C ATOM 182 O PHE A 11 1.190 -2.337 -2.571 1.00 33.23 O ATOM 183 CB PHE A 11 4.474 -1.672 -2.265 1.00 52.13 C ATOM 184 CG PHE A 11 3.746 -0.455 -1.772 1.00 3.53 C ATOM 185 CD1 PHE A 11 3.292 0.506 -2.661 1.00 5.41 C ATOM 186 CD2 PHE A 11 3.516 -0.272 -0.417 1.00 54.41 C ATOM 187 CE1 PHE A 11 2.624 1.628 -2.208 1.00 74.51 C ATOM 188 CE2 PHE A 11 2.847 0.848 0.041 1.00 74.12 C ATOM 189 CZ PHE A 11 2.400 1.798 -0.857 1.00 35.04 C ATOM 0 H PHE A 11 5.075 -3.219 -4.093 1.00 72.05 H new ATOM 0 HA PHE A 11 3.332 -3.451 -1.879 1.00 73.13 H new ATOM 0 HB2 PHE A 11 5.119 -2.047 -1.470 1.00 52.13 H new ATOM 0 HB3 PHE A 11 5.122 -1.387 -3.093 1.00 52.13 H new ATOM 0 HD1 PHE A 11 3.462 0.377 -3.720 1.00 5.41 H new ATOM 0 HD2 PHE A 11 3.863 -1.012 0.288 1.00 54.41 H new ATOM 0 HE1 PHE A 11 2.278 2.371 -2.911 1.00 74.51 H new ATOM 0 HE2 PHE A 11 2.674 0.980 1.099 1.00 74.12 H new ATOM 0 HZ PHE A 11 1.876 2.673 -0.502 1.00 35.04 H new ATOM 199 N ALA A 12 2.274 -1.562 -4.383 1.00 40.22 N ATOM 200 CA ALA A 12 1.086 -0.956 -4.971 1.00 30.22 C ATOM 201 C ALA A 12 0.055 -2.016 -5.344 1.00 5.33 C ATOM 202 O ALA A 12 -1.145 -1.745 -5.375 1.00 54.41 O ATOM 203 CB ALA A 12 1.463 -0.131 -6.192 1.00 70.45 C ATOM 0 H ALA A 12 3.124 -1.444 -4.934 1.00 40.22 H new ATOM 0 HA ALA A 12 0.638 -0.298 -4.226 1.00 30.22 H new ATOM 0 HB1 ALA A 12 0.566 0.315 -6.621 1.00 70.45 H new ATOM 0 HB2 ALA A 12 2.156 0.657 -5.899 1.00 70.45 H new ATOM 0 HB3 ALA A 12 1.938 -0.774 -6.933 1.00 70.45 H new ATOM 209 N ILE A 13 0.532 -3.224 -5.624 1.00 63.14 N ATOM 210 CA ILE A 13 -0.348 -4.325 -5.995 1.00 33.20 C ATOM 211 C ILE A 13 -1.443 -4.528 -4.952 1.00 41.11 C ATOM 212 O ILE A 13 -2.606 -4.742 -5.293 1.00 61.05 O ATOM 213 CB ILE A 13 0.435 -5.640 -6.163 1.00 22.53 C ATOM 214 CG1 ILE A 13 0.947 -5.775 -7.599 1.00 55.12 C ATOM 215 CG2 ILE A 13 -0.441 -6.829 -5.793 1.00 64.42 C ATOM 216 CD1 ILE A 13 0.043 -6.601 -8.488 1.00 11.44 C ATOM 0 H ILE A 13 1.523 -3.465 -5.601 1.00 63.14 H new ATOM 0 HA ILE A 13 -0.802 -4.058 -6.949 1.00 33.20 H new ATOM 0 HB ILE A 13 1.293 -5.623 -5.492 1.00 22.53 H new ATOM 0 HG12 ILE A 13 1.058 -4.781 -8.031 1.00 55.12 H new ATOM 0 HG13 ILE A 13 1.938 -6.228 -7.582 1.00 55.12 H new ATOM 0 HG21 ILE A 13 0.126 -7.751 -5.917 1.00 64.42 H new ATOM 0 HG22 ILE A 13 -0.761 -6.736 -4.755 1.00 64.42 H new ATOM 0 HG23 ILE A 13 -1.317 -6.852 -6.442 1.00 64.42 H new ATOM 0 HD11 ILE A 13 0.468 -6.654 -9.490 1.00 11.44 H new ATOM 0 HD12 ILE A 13 -0.049 -7.607 -8.079 1.00 11.44 H new ATOM 0 HD13 ILE A 13 -0.942 -6.138 -8.536 1.00 11.44 H new ATOM 228 N GLN A 14 -1.062 -4.457 -3.681 1.00 4.32 N ATOM 229 CA GLN A 14 -2.012 -4.632 -2.589 1.00 60.30 C ATOM 230 C GLN A 14 -2.376 -3.290 -1.963 1.00 41.33 C ATOM 231 O GLN A 14 -3.471 -3.119 -1.427 1.00 40.33 O ATOM 232 CB GLN A 14 -1.431 -5.563 -1.523 1.00 70.33 C ATOM 233 CG GLN A 14 -0.327 -4.926 -0.694 1.00 60.43 C ATOM 234 CD GLN A 14 0.493 -5.947 0.069 1.00 44.22 C ATOM 235 OE1 GLN A 14 0.321 -6.121 1.275 1.00 23.31 O ATOM 236 NE2 GLN A 14 1.391 -6.629 -0.632 1.00 41.23 N ATOM 0 H GLN A 14 -0.103 -4.280 -3.382 1.00 4.32 H new ATOM 0 HA GLN A 14 -2.918 -5.079 -2.998 1.00 60.30 H new ATOM 0 HB2 GLN A 14 -2.233 -5.886 -0.859 1.00 70.33 H new ATOM 0 HB3 GLN A 14 -1.040 -6.457 -2.008 1.00 70.33 H new ATOM 0 HG2 GLN A 14 0.330 -4.354 -1.349 1.00 60.43 H new ATOM 0 HG3 GLN A 14 -0.768 -4.220 0.010 1.00 60.43 H new ATOM 0 HE21 GLN A 14 1.500 -6.452 -1.631 1.00 41.23 H new ATOM 0 HE22 GLN A 14 1.972 -7.330 -0.172 1.00 41.23 H new ATOM 245 N HIS A 15 -1.450 -2.338 -2.035 1.00 62.21 N ATOM 246 CA HIS A 15 -1.673 -1.010 -1.476 1.00 70.45 C ATOM 247 C HIS A 15 -2.296 -0.082 -2.514 1.00 34.01 C ATOM 248 O HIS A 15 -2.690 1.042 -2.199 1.00 44.13 O ATOM 249 CB HIS A 15 -0.357 -0.418 -0.971 1.00 4.11 C ATOM 250 CG HIS A 15 0.123 -1.032 0.308 1.00 12.44 C ATOM 251 ND1 HIS A 15 1.232 -1.758 0.581 1.00 54.50 N flip ATOM 252 CD2 HIS A 15 -0.569 -0.931 1.498 1.00 20.10 C flip ATOM 253 CE1 HIS A 15 1.191 -2.079 1.916 1.00 44.12 C flip ATOM 254 NE2 HIS A 15 0.095 -1.567 2.446 1.00 61.33 N flip ATOM 0 H HIS A 15 -0.538 -2.462 -2.475 1.00 62.21 H new ATOM 0 HA HIS A 15 -2.364 -1.107 -0.639 1.00 70.45 H new ATOM 0 HB2 HIS A 15 0.408 -0.548 -1.737 1.00 4.11 H new ATOM 0 HB3 HIS A 15 -0.483 0.655 -0.825 1.00 4.11 H new ATOM 0 HD1 HIS A 15 1.963 -2.018 -0.081 1.00 54.50 H new ATOM 0 HD2 HIS A 15 -1.507 -0.413 1.633 1.00 20.10 H new ATOM 0 HE1 HIS A 15 1.934 -2.656 2.446 1.00 44.12 H new ATOM 263 N ILE A 16 -2.381 -0.558 -3.752 1.00 11.23 N ATOM 264 CA ILE A 16 -2.957 0.229 -4.835 1.00 51.52 C ATOM 265 C ILE A 16 -3.807 -0.639 -5.755 1.00 2.10 C ATOM 266 O ILE A 16 -3.393 -1.727 -6.156 1.00 61.00 O ATOM 267 CB ILE A 16 -1.863 0.923 -5.669 1.00 50.13 C ATOM 268 CG1 ILE A 16 -1.595 2.330 -5.129 1.00 12.20 C ATOM 269 CG2 ILE A 16 -2.270 0.981 -7.133 1.00 51.00 C ATOM 270 CD1 ILE A 16 -0.508 3.068 -5.879 1.00 35.10 C ATOM 0 H ILE A 16 -2.058 -1.485 -4.030 1.00 11.23 H new ATOM 0 HA ILE A 16 -3.588 0.988 -4.372 1.00 51.52 H new ATOM 0 HB ILE A 16 -0.944 0.342 -5.590 1.00 50.13 H new ATOM 0 HG12 ILE A 16 -2.516 2.910 -5.177 1.00 12.20 H new ATOM 0 HG13 ILE A 16 -1.316 2.260 -4.078 1.00 12.20 H new ATOM 0 HG21 ILE A 16 -1.487 1.474 -7.709 1.00 51.00 H new ATOM 0 HG22 ILE A 16 -2.416 -0.031 -7.511 1.00 51.00 H new ATOM 0 HG23 ILE A 16 -3.200 1.542 -7.230 1.00 51.00 H new ATOM 0 HD11 ILE A 16 -0.372 4.057 -5.442 1.00 35.10 H new ATOM 0 HD12 ILE A 16 0.425 2.509 -5.810 1.00 35.10 H new ATOM 0 HD13 ILE A 16 -0.793 3.170 -6.926 1.00 35.10 H new ATOM 282 N SER A 17 -4.998 -0.151 -6.088 1.00 3.21 N ATOM 283 CA SER A 17 -5.907 -0.884 -6.960 1.00 34.24 C ATOM 284 C SER A 17 -7.084 -0.007 -7.378 1.00 53.20 C ATOM 285 O SER A 17 -7.995 0.248 -6.589 1.00 72.31 O ATOM 286 CB SER A 17 -6.420 -2.141 -6.256 1.00 25.14 C ATOM 287 OG SER A 17 -6.862 -3.108 -7.195 1.00 50.41 O ATOM 0 H SER A 17 -5.355 0.749 -5.767 1.00 3.21 H new ATOM 0 HA SER A 17 -5.357 -1.175 -7.855 1.00 34.24 H new ATOM 0 HB2 SER A 17 -5.628 -2.565 -5.639 1.00 25.14 H new ATOM 0 HB3 SER A 17 -7.239 -1.878 -5.587 1.00 25.14 H new ATOM 0 HG SER A 17 -7.183 -3.902 -6.720 1.00 50.41 H new ATOM 293 N LEU A 18 -7.057 0.453 -8.624 1.00 32.32 N ATOM 294 CA LEU A 18 -8.121 1.302 -9.150 1.00 32.23 C ATOM 295 C LEU A 18 -9.489 0.812 -8.685 1.00 51.22 C ATOM 296 O LEU A 18 -10.274 1.574 -8.122 1.00 25.11 O ATOM 297 CB LEU A 18 -8.069 1.331 -10.678 1.00 53.32 C ATOM 298 CG LEU A 18 -6.685 1.157 -11.306 1.00 14.22 C ATOM 299 CD1 LEU A 18 -6.737 1.444 -12.799 1.00 1.54 C ATOM 300 CD2 LEU A 18 -5.671 2.061 -10.622 1.00 32.34 C ATOM 0 H LEU A 18 -6.310 0.253 -9.289 1.00 32.32 H new ATOM 0 HA LEU A 18 -7.969 2.312 -8.769 1.00 32.23 H new ATOM 0 HB2 LEU A 18 -8.720 0.544 -11.059 1.00 53.32 H new ATOM 0 HB3 LEU A 18 -8.483 2.280 -11.018 1.00 53.32 H new ATOM 0 HG LEU A 18 -6.371 0.123 -11.166 1.00 14.22 H new ATOM 0 HD11 LEU A 18 -5.744 1.315 -13.229 1.00 1.54 H new ATOM 0 HD12 LEU A 18 -7.432 0.754 -13.278 1.00 1.54 H new ATOM 0 HD13 LEU A 18 -7.073 2.468 -12.961 1.00 1.54 H new ATOM 0 HD21 LEU A 18 -4.692 1.924 -11.082 1.00 32.34 H new ATOM 0 HD22 LEU A 18 -5.980 3.101 -10.730 1.00 32.34 H new ATOM 0 HD23 LEU A 18 -5.613 1.807 -9.563 1.00 32.34 H new ATOM 312 N ASN A 19 -9.766 -0.466 -8.925 1.00 5.44 N ATOM 313 CA ASN A 19 -11.039 -1.059 -8.529 1.00 44.32 C ATOM 314 C ASN A 19 -10.827 -2.163 -7.498 1.00 14.11 C ATOM 315 O ASN A 19 -10.697 -3.341 -7.830 1.00 51.11 O ATOM 316 CB ASN A 19 -11.764 -1.621 -9.753 1.00 14.34 C ATOM 317 CG ASN A 19 -12.539 -0.556 -10.505 1.00 41.55 C ATOM 318 OD1 ASN A 19 -11.881 0.561 -10.792 1.00 3.34 O flip ATOM 319 ND2 ASN A 19 -13.714 -0.736 -10.826 1.00 43.34 N flip ATOM 0 H ASN A 19 -9.127 -1.110 -9.391 1.00 5.44 H new ATOM 0 HA ASN A 19 -11.652 -0.278 -8.078 1.00 44.32 H new ATOM 0 HB2 ASN A 19 -11.037 -2.079 -10.424 1.00 14.34 H new ATOM 0 HB3 ASN A 19 -12.448 -2.409 -9.437 1.00 14.34 H new ATOM 0 HD21 ASN A 19 -14.180 -1.610 -10.585 1.00 43.34 H new ATOM 0 HD22 ASN A 19 -14.221 -0.011 -11.333 1.00 43.34 H new ATOM 326 N PRO A 20 -10.793 -1.775 -6.214 1.00 31.03 N ATOM 327 CA PRO A 20 -10.600 -2.716 -5.107 1.00 42.14 C ATOM 328 C PRO A 20 -11.806 -3.627 -4.902 1.00 52.33 C ATOM 329 O PRO A 20 -12.867 -3.198 -4.449 1.00 55.31 O ATOM 330 CB PRO A 20 -10.407 -1.803 -3.894 1.00 1.12 C ATOM 331 CG PRO A 20 -11.105 -0.538 -4.257 1.00 33.44 C ATOM 332 CD PRO A 20 -10.943 -0.387 -5.744 1.00 41.43 C ATOM 0 HA PRO A 20 -9.763 -3.390 -5.288 1.00 42.14 H new ATOM 0 HB2 PRO A 20 -10.833 -2.246 -2.994 1.00 1.12 H new ATOM 0 HB3 PRO A 20 -9.350 -1.628 -3.694 1.00 1.12 H new ATOM 0 HG2 PRO A 20 -12.159 -0.581 -3.982 1.00 33.44 H new ATOM 0 HG3 PRO A 20 -10.672 0.312 -3.729 1.00 33.44 H new ATOM 0 HD2 PRO A 20 -11.808 0.099 -6.195 1.00 41.43 H new ATOM 0 HD3 PRO A 20 -10.072 0.218 -5.994 1.00 41.43 H new ATOM 340 N PRO A 21 -11.642 -4.913 -5.243 1.00 20.32 N ATOM 341 CA PRO A 21 -12.708 -5.910 -5.105 1.00 5.33 C ATOM 342 C PRO A 21 -13.012 -6.234 -3.645 1.00 72.22 C ATOM 343 O PRO A 21 -12.643 -5.483 -2.744 1.00 3.33 O ATOM 344 CB PRO A 21 -12.138 -7.140 -5.817 1.00 73.03 C ATOM 345 CG PRO A 21 -10.660 -6.974 -5.734 1.00 2.33 C ATOM 346 CD PRO A 21 -10.404 -5.494 -5.791 1.00 12.53 C ATOM 0 HA PRO A 21 -13.652 -5.558 -5.522 1.00 5.33 H new ATOM 0 HB2 PRO A 21 -12.461 -8.062 -5.334 1.00 73.03 H new ATOM 0 HB3 PRO A 21 -12.473 -7.189 -6.853 1.00 73.03 H new ATOM 0 HG2 PRO A 21 -10.271 -7.402 -4.810 1.00 2.33 H new ATOM 0 HG3 PRO A 21 -10.163 -7.488 -6.557 1.00 2.33 H new ATOM 0 HD2 PRO A 21 -9.532 -5.214 -5.200 1.00 12.53 H new ATOM 0 HD3 PRO A 21 -10.219 -5.157 -6.811 1.00 12.53 H new ATOM 354 N ARG A 22 -13.688 -7.356 -3.422 1.00 2.23 N ATOM 355 CA ARG A 22 -14.042 -7.778 -2.073 1.00 13.14 C ATOM 356 C ARG A 22 -12.793 -8.087 -1.253 1.00 5.31 C ATOM 357 O ARG A 22 -12.066 -9.038 -1.544 1.00 13.10 O ATOM 358 CB ARG A 22 -14.949 -9.009 -2.121 1.00 74.52 C ATOM 359 CG ARG A 22 -16.327 -8.727 -2.699 1.00 31.42 C ATOM 360 CD ARG A 22 -17.234 -8.061 -1.676 1.00 74.33 C ATOM 361 NE ARG A 22 -18.643 -8.359 -1.919 1.00 71.21 N ATOM 362 CZ ARG A 22 -19.597 -8.192 -1.010 1.00 15.03 C ATOM 363 NH1 ARG A 22 -19.294 -7.733 0.196 1.00 2.22 N ATOM 364 NH2 ARG A 22 -20.857 -8.486 -1.306 1.00 43.25 N ATOM 0 H ARG A 22 -14.001 -7.989 -4.158 1.00 2.23 H new ATOM 0 HA ARG A 22 -14.577 -6.958 -1.594 1.00 13.14 H new ATOM 0 HB2 ARG A 22 -14.466 -9.783 -2.717 1.00 74.52 H new ATOM 0 HB3 ARG A 22 -15.062 -9.407 -1.112 1.00 74.52 H new ATOM 0 HG2 ARG A 22 -16.231 -8.085 -3.575 1.00 31.42 H new ATOM 0 HG3 ARG A 22 -16.780 -9.660 -3.036 1.00 31.42 H new ATOM 0 HD2 ARG A 22 -16.960 -8.396 -0.676 1.00 74.33 H new ATOM 0 HD3 ARG A 22 -17.081 -6.982 -1.704 1.00 74.33 H new ATOM 0 HE ARG A 22 -18.909 -8.715 -2.837 1.00 71.21 H new ATOM 0 HH11 ARG A 22 -18.327 -7.507 0.428 1.00 2.22 H new ATOM 0 HH12 ARG A 22 -20.028 -7.606 0.892 1.00 2.22 H new ATOM 0 HH21 ARG A 22 -21.094 -8.841 -2.233 1.00 43.25 H new ATOM 0 HH22 ARG A 22 -21.588 -8.357 -0.607 1.00 43.25 H new ATOM 378 N CYS A 23 -12.548 -7.277 -0.229 1.00 22.13 N ATOM 379 CA CYS A 23 -11.385 -7.462 0.633 1.00 74.45 C ATOM 380 C CYS A 23 -11.134 -8.945 0.896 1.00 51.35 C ATOM 381 O CYS A 23 -10.009 -9.353 1.183 1.00 64.40 O ATOM 382 CB CYS A 23 -11.585 -6.725 1.958 1.00 42.54 C ATOM 383 SG CYS A 23 -11.753 -4.918 1.786 1.00 20.35 S ATOM 0 H CYS A 23 -13.139 -6.485 0.025 1.00 22.13 H new ATOM 0 HA CYS A 23 -10.515 -7.049 0.122 1.00 74.45 H new ATOM 0 HB2 CYS A 23 -12.476 -7.117 2.449 1.00 42.54 H new ATOM 0 HB3 CYS A 23 -10.740 -6.940 2.612 1.00 42.54 H new ATOM 388 N THR A 24 -12.189 -9.745 0.794 1.00 35.45 N ATOM 389 CA THR A 24 -12.085 -11.181 1.022 1.00 23.10 C ATOM 390 C THR A 24 -11.179 -11.837 -0.014 1.00 61.12 C ATOM 391 O THR A 24 -10.261 -12.581 0.332 1.00 2.11 O ATOM 392 CB THR A 24 -13.467 -11.859 0.981 1.00 52.13 C ATOM 393 OG1 THR A 24 -14.389 -11.142 1.810 1.00 63.43 O ATOM 394 CG2 THR A 24 -13.375 -13.304 1.448 1.00 32.13 C ATOM 0 H THR A 24 -13.127 -9.423 0.555 1.00 35.45 H new ATOM 0 HA THR A 24 -11.654 -11.313 2.014 1.00 23.10 H new ATOM 0 HB THR A 24 -13.822 -11.849 -0.050 1.00 52.13 H new ATOM 0 HG1 THR A 24 -15.266 -11.578 1.777 1.00 63.43 H new ATOM 0 HG21 THR A 24 -14.363 -13.762 1.410 1.00 32.13 H new ATOM 0 HG22 THR A 24 -12.695 -13.854 0.797 1.00 32.13 H new ATOM 0 HG23 THR A 24 -13.001 -13.333 2.471 1.00 32.13 H new ATOM 402 N ILE A 25 -11.443 -11.556 -1.287 1.00 0.35 N ATOM 403 CA ILE A 25 -10.649 -12.117 -2.372 1.00 21.52 C ATOM 404 C ILE A 25 -9.479 -11.206 -2.727 1.00 73.23 C ATOM 405 O ILE A 25 -8.387 -11.676 -3.045 1.00 0.01 O ATOM 406 CB ILE A 25 -11.505 -12.351 -3.632 1.00 3.41 C ATOM 407 CG1 ILE A 25 -12.920 -12.779 -3.242 1.00 23.21 C ATOM 408 CG2 ILE A 25 -10.855 -13.397 -4.526 1.00 51.03 C ATOM 409 CD1 ILE A 25 -13.868 -12.872 -4.416 1.00 74.12 C ATOM 0 H ILE A 25 -12.200 -10.944 -1.591 1.00 0.35 H new ATOM 0 HA ILE A 25 -10.265 -13.074 -2.020 1.00 21.52 H new ATOM 0 HB ILE A 25 -11.570 -11.416 -4.188 1.00 3.41 H new ATOM 0 HG12 ILE A 25 -12.874 -13.748 -2.745 1.00 23.21 H new ATOM 0 HG13 ILE A 25 -13.319 -12.068 -2.518 1.00 23.21 H new ATOM 0 HG21 ILE A 25 -11.471 -13.552 -5.412 1.00 51.03 H new ATOM 0 HG22 ILE A 25 -9.865 -13.054 -4.827 1.00 51.03 H new ATOM 0 HG23 ILE A 25 -10.763 -14.336 -3.980 1.00 51.03 H new ATOM 0 HD11 ILE A 25 -14.853 -13.181 -4.065 1.00 74.12 H new ATOM 0 HD12 ILE A 25 -13.944 -11.898 -4.900 1.00 74.12 H new ATOM 0 HD13 ILE A 25 -13.492 -13.604 -5.130 1.00 74.12 H new ATOM 421 N ALA A 26 -9.716 -9.900 -2.668 1.00 61.02 N ATOM 422 CA ALA A 26 -8.681 -8.921 -2.979 1.00 62.31 C ATOM 423 C ALA A 26 -7.403 -9.206 -2.196 1.00 52.31 C ATOM 424 O ALA A 26 -6.326 -8.729 -2.553 1.00 12.31 O ATOM 425 CB ALA A 26 -9.179 -7.514 -2.687 1.00 34.33 C ATOM 0 H ALA A 26 -10.615 -9.495 -2.408 1.00 61.02 H new ATOM 0 HA ALA A 26 -8.450 -8.998 -4.041 1.00 62.31 H new ATOM 0 HB1 ALA A 26 -8.396 -6.794 -2.924 1.00 34.33 H new ATOM 0 HB2 ALA A 26 -10.059 -7.306 -3.296 1.00 34.33 H new ATOM 0 HB3 ALA A 26 -9.440 -7.432 -1.632 1.00 34.33 H new ATOM 431 N MET A 27 -7.531 -9.985 -1.127 1.00 34.20 N ATOM 432 CA MET A 27 -6.386 -10.332 -0.294 1.00 13.14 C ATOM 433 C MET A 27 -5.839 -11.707 -0.667 1.00 52.24 C ATOM 434 O MET A 27 -5.147 -12.345 0.125 1.00 33.21 O ATOM 435 CB MET A 27 -6.779 -10.311 1.185 1.00 42.12 C ATOM 436 CG MET A 27 -7.938 -11.237 1.519 1.00 13.21 C ATOM 437 SD MET A 27 -7.467 -12.977 1.493 1.00 73.45 S ATOM 438 CE MET A 27 -6.395 -13.059 2.925 1.00 61.24 C ATOM 0 H MET A 27 -8.416 -10.388 -0.817 1.00 34.20 H new ATOM 0 HA MET A 27 -5.605 -9.591 -0.466 1.00 13.14 H new ATOM 0 HB2 MET A 27 -5.915 -10.593 1.786 1.00 42.12 H new ATOM 0 HB3 MET A 27 -7.045 -9.292 1.467 1.00 42.12 H new ATOM 0 HG2 MET A 27 -8.327 -10.985 2.506 1.00 13.21 H new ATOM 0 HG3 MET A 27 -8.746 -11.073 0.806 1.00 13.21 H new ATOM 0 HE1 MET A 27 -5.557 -13.724 2.715 1.00 61.24 H new ATOM 0 HE2 MET A 27 -6.018 -12.062 3.155 1.00 61.24 H new ATOM 0 HE3 MET A 27 -6.956 -13.441 3.778 1.00 61.24 H new ATOM 448 N ARG A 28 -6.156 -12.155 -1.878 1.00 1.51 N ATOM 449 CA ARG A 28 -5.696 -13.454 -2.355 1.00 14.04 C ATOM 450 C ARG A 28 -4.359 -13.326 -3.077 1.00 64.21 C ATOM 451 O ARG A 28 -3.312 -13.676 -2.531 1.00 52.25 O ATOM 452 CB ARG A 28 -6.736 -14.073 -3.290 1.00 63.41 C ATOM 453 CG ARG A 28 -7.856 -14.799 -2.561 1.00 50.43 C ATOM 454 CD ARG A 28 -8.622 -15.721 -3.496 1.00 24.32 C ATOM 455 NE ARG A 28 -9.959 -16.024 -2.991 1.00 73.14 N ATOM 456 CZ ARG A 28 -10.210 -16.976 -2.099 1.00 61.24 C ATOM 457 NH1 ARG A 28 -9.220 -17.714 -1.617 1.00 12.04 N ATOM 458 NH2 ARG A 28 -11.453 -17.191 -1.689 1.00 33.53 N ATOM 0 H ARG A 28 -6.729 -11.638 -2.546 1.00 1.51 H new ATOM 0 HA ARG A 28 -5.561 -14.104 -1.491 1.00 14.04 H new ATOM 0 HB2 ARG A 28 -7.167 -13.288 -3.911 1.00 63.41 H new ATOM 0 HB3 ARG A 28 -6.238 -14.772 -3.961 1.00 63.41 H new ATOM 0 HG2 ARG A 28 -7.440 -15.379 -1.737 1.00 50.43 H new ATOM 0 HG3 ARG A 28 -8.540 -14.071 -2.125 1.00 50.43 H new ATOM 0 HD2 ARG A 28 -8.702 -15.256 -4.478 1.00 24.32 H new ATOM 0 HD3 ARG A 28 -8.065 -16.649 -3.627 1.00 24.32 H new ATOM 0 HE ARG A 28 -10.743 -15.474 -3.343 1.00 73.14 H new ATOM 0 HH11 ARG A 28 -8.263 -17.551 -1.931 1.00 12.04 H new ATOM 0 HH12 ARG A 28 -9.415 -18.444 -0.932 1.00 12.04 H new ATOM 0 HH21 ARG A 28 -12.217 -16.625 -2.059 1.00 33.53 H new ATOM 0 HH22 ARG A 28 -11.645 -17.922 -1.004 1.00 33.53 H new ATOM 472 N ALA A 29 -4.402 -12.824 -4.307 1.00 43.51 N ATOM 473 CA ALA A 29 -3.193 -12.649 -5.102 1.00 44.44 C ATOM 474 C ALA A 29 -2.089 -11.986 -4.286 1.00 2.31 C ATOM 475 O ALA A 29 -0.907 -12.274 -4.474 1.00 1.33 O ATOM 476 CB ALA A 29 -3.496 -11.830 -6.348 1.00 51.14 C ATOM 0 H ALA A 29 -5.260 -12.532 -4.774 1.00 43.51 H new ATOM 0 HA ALA A 29 -2.841 -13.635 -5.405 1.00 44.44 H new ATOM 0 HB1 ALA A 29 -2.585 -11.707 -6.933 1.00 51.14 H new ATOM 0 HB2 ALA A 29 -4.246 -12.345 -6.949 1.00 51.14 H new ATOM 0 HB3 ALA A 29 -3.875 -10.851 -6.056 1.00 51.14 H new ATOM 482 N ILE A 30 -2.482 -11.097 -3.380 1.00 40.14 N ATOM 483 CA ILE A 30 -1.525 -10.393 -2.536 1.00 13.03 C ATOM 484 C ILE A 30 -0.904 -11.332 -1.507 1.00 74.50 C ATOM 485 O ILE A 30 0.251 -11.733 -1.635 1.00 45.32 O ATOM 486 CB ILE A 30 -2.184 -9.211 -1.802 1.00 54.25 C ATOM 487 CG1 ILE A 30 -2.579 -8.118 -2.799 1.00 23.41 C ATOM 488 CG2 ILE A 30 -1.245 -8.653 -0.743 1.00 72.25 C ATOM 489 CD1 ILE A 30 -3.619 -8.565 -3.803 1.00 0.13 C ATOM 0 H ILE A 30 -3.457 -10.847 -3.212 1.00 40.14 H new ATOM 0 HA ILE A 30 -0.745 -10.012 -3.195 1.00 13.03 H new ATOM 0 HB ILE A 30 -3.087 -9.570 -1.307 1.00 54.25 H new ATOM 0 HG12 ILE A 30 -2.961 -7.257 -2.250 1.00 23.41 H new ATOM 0 HG13 ILE A 30 -1.689 -7.785 -3.333 1.00 23.41 H new ATOM 0 HG21 ILE A 30 -1.726 -7.818 -0.234 1.00 72.25 H new ATOM 0 HG22 ILE A 30 -1.009 -9.433 -0.019 1.00 72.25 H new ATOM 0 HG23 ILE A 30 -0.326 -8.308 -1.217 1.00 72.25 H new ATOM 0 HD11 ILE A 30 -3.851 -7.741 -4.478 1.00 0.13 H new ATOM 0 HD12 ILE A 30 -3.232 -9.406 -4.378 1.00 0.13 H new ATOM 0 HD13 ILE A 30 -4.524 -8.870 -3.278 1.00 0.13 H new ATOM 501 N ASN A 31 -1.683 -11.682 -0.488 1.00 30.42 N ATOM 502 CA ASN A 31 -1.210 -12.577 0.563 1.00 61.23 C ATOM 503 C ASN A 31 -0.389 -13.720 -0.026 1.00 23.02 C ATOM 504 O ASN A 31 0.425 -14.332 0.665 1.00 51.11 O ATOM 505 CB ASN A 31 -2.393 -13.138 1.353 1.00 31.11 C ATOM 506 CG ASN A 31 -2.761 -12.268 2.539 1.00 31.00 C ATOM 507 OD1 ASN A 31 -3.791 -11.446 2.373 1.00 3.10 O flip ATOM 508 ND2 ASN A 31 -2.127 -12.333 3.592 1.00 12.51 N flip ATOM 0 H ASN A 31 -2.643 -11.360 -0.368 1.00 30.42 H new ATOM 0 HA ASN A 31 -0.572 -12.004 1.235 1.00 61.23 H new ATOM 0 HB2 ASN A 31 -3.255 -13.232 0.693 1.00 31.11 H new ATOM 0 HB3 ASN A 31 -2.149 -14.141 1.703 1.00 31.11 H new ATOM 0 HD21 ASN A 31 -1.342 -12.979 3.676 1.00 12.51 H new ATOM 0 HD22 ASN A 31 -2.386 -11.741 4.381 1.00 12.51 H new ATOM 515 N ASN A 32 -0.609 -14.002 -1.306 1.00 2.13 N ATOM 516 CA ASN A 32 0.111 -15.072 -1.987 1.00 52.33 C ATOM 517 C ASN A 32 1.620 -14.875 -1.867 1.00 33.33 C ATOM 518 O ASN A 32 2.400 -15.778 -2.171 1.00 31.12 O ATOM 519 CB ASN A 32 -0.291 -15.127 -3.462 1.00 74.20 C ATOM 520 CG ASN A 32 -0.141 -16.517 -4.051 1.00 13.04 C ATOM 521 OD1 ASN A 32 -0.152 -17.513 -3.329 1.00 31.14 O ATOM 522 ND2 ASN A 32 -0.001 -16.589 -5.369 1.00 50.25 N ATOM 0 H ASN A 32 -1.280 -13.505 -1.892 1.00 2.13 H new ATOM 0 HA ASN A 32 -0.154 -16.015 -1.509 1.00 52.33 H new ATOM 0 HB2 ASN A 32 -1.326 -14.801 -3.566 1.00 74.20 H new ATOM 0 HB3 ASN A 32 0.322 -14.427 -4.029 1.00 74.20 H new ATOM 0 HD21 ASN A 32 0.103 -17.497 -5.822 1.00 50.25 H new ATOM 0 HD22 ASN A 32 0.002 -15.736 -5.929 1.00 50.25 H new ATOM 529 N TYR A 33 2.022 -13.690 -1.421 1.00 21.32 N ATOM 530 CA TYR A 33 3.437 -13.374 -1.262 1.00 71.23 C ATOM 531 C TYR A 33 4.004 -14.031 -0.008 1.00 64.43 C ATOM 532 O TYR A 33 5.206 -14.282 0.085 1.00 30.43 O ATOM 533 CB TYR A 33 3.638 -11.860 -1.193 1.00 15.32 C ATOM 534 CG TYR A 33 3.170 -11.245 0.107 1.00 30.05 C ATOM 535 CD1 TYR A 33 3.840 -11.498 1.299 1.00 41.14 C ATOM 536 CD2 TYR A 33 2.059 -10.413 0.145 1.00 51.41 C ATOM 537 CE1 TYR A 33 3.416 -10.940 2.489 1.00 24.32 C ATOM 538 CE2 TYR A 33 1.629 -9.849 1.331 1.00 22.12 C ATOM 539 CZ TYR A 33 2.310 -10.116 2.499 1.00 5.15 C ATOM 540 OH TYR A 33 1.886 -9.557 3.684 1.00 73.24 O ATOM 0 H TYR A 33 1.389 -12.933 -1.163 1.00 21.32 H new ATOM 0 HA TYR A 33 3.970 -13.766 -2.128 1.00 71.23 H new ATOM 0 HB2 TYR A 33 4.696 -11.636 -1.331 1.00 15.32 H new ATOM 0 HB3 TYR A 33 3.103 -11.393 -2.020 1.00 15.32 H new ATOM 0 HD1 TYR A 33 4.707 -12.142 1.294 1.00 41.14 H new ATOM 0 HD2 TYR A 33 1.522 -10.203 -0.768 1.00 51.41 H new ATOM 0 HE1 TYR A 33 3.947 -11.148 3.406 1.00 24.32 H new ATOM 0 HE2 TYR A 33 0.764 -9.202 1.343 1.00 22.12 H new ATOM 0 HH TYR A 33 1.217 -10.140 4.100 1.00 73.24 H new ATOM 550 N ARG A 34 3.131 -14.308 0.954 1.00 23.32 N ATOM 551 CA ARG A 34 3.544 -14.937 2.203 1.00 12.23 C ATOM 552 C ARG A 34 2.610 -16.086 2.568 1.00 33.42 C ATOM 553 O ARG A 34 1.672 -16.396 1.832 1.00 3.30 O ATOM 554 CB ARG A 34 3.567 -13.906 3.334 1.00 71.22 C ATOM 555 CG ARG A 34 2.195 -13.349 3.679 1.00 60.00 C ATOM 556 CD ARG A 34 2.218 -12.590 4.996 1.00 52.33 C ATOM 557 NE ARG A 34 3.026 -13.269 6.006 1.00 53.32 N ATOM 558 CZ ARG A 34 3.599 -12.645 7.029 1.00 22.32 C ATOM 559 NH1 ARG A 34 3.455 -11.336 7.177 1.00 30.05 N ATOM 560 NH2 ARG A 34 4.319 -13.332 7.906 1.00 24.12 N ATOM 0 H ARG A 34 2.133 -14.107 0.893 1.00 23.32 H new ATOM 0 HA ARG A 34 4.548 -15.338 2.064 1.00 12.23 H new ATOM 0 HB2 ARG A 34 3.998 -14.365 4.224 1.00 71.22 H new ATOM 0 HB3 ARG A 34 4.223 -13.083 3.051 1.00 71.22 H new ATOM 0 HG2 ARG A 34 1.859 -12.686 2.882 1.00 60.00 H new ATOM 0 HG3 ARG A 34 1.475 -14.165 3.740 1.00 60.00 H new ATOM 0 HD2 ARG A 34 2.613 -11.588 4.830 1.00 52.33 H new ATOM 0 HD3 ARG A 34 1.199 -12.474 5.365 1.00 52.33 H new ATOM 0 HE ARG A 34 3.157 -14.277 5.921 1.00 53.32 H new ATOM 0 HH11 ARG A 34 2.903 -10.804 6.504 1.00 30.05 H new ATOM 0 HH12 ARG A 34 3.896 -10.860 7.964 1.00 30.05 H new ATOM 0 HH21 ARG A 34 4.433 -14.340 7.795 1.00 24.12 H new ATOM 0 HH22 ARG A 34 4.759 -12.853 8.692 1.00 24.12 H new ATOM 574 N TRP A 35 2.872 -16.716 3.708 1.00 53.41 N ATOM 575 CA TRP A 35 2.055 -17.832 4.171 1.00 74.04 C ATOM 576 C TRP A 35 1.075 -17.380 5.249 1.00 51.33 C ATOM 577 O TRP A 35 0.092 -18.065 5.534 1.00 1.40 O ATOM 578 CB TRP A 35 2.945 -18.953 4.710 1.00 55.14 C ATOM 579 CG TRP A 35 3.387 -19.920 3.655 1.00 73.22 C ATOM 580 CD1 TRP A 35 4.603 -19.959 3.036 1.00 74.14 C ATOM 581 CD2 TRP A 35 2.615 -20.988 3.093 1.00 11.12 C ATOM 582 NE1 TRP A 35 4.634 -20.985 2.123 1.00 32.11 N ATOM 583 CE2 TRP A 35 3.427 -21.633 2.140 1.00 51.31 C ATOM 584 CE3 TRP A 35 1.318 -21.463 3.304 1.00 15.11 C ATOM 585 CZ2 TRP A 35 2.982 -22.725 1.400 1.00 63.31 C ATOM 586 CZ3 TRP A 35 0.877 -22.547 2.569 1.00 64.03 C ATOM 587 CH2 TRP A 35 1.708 -23.169 1.627 1.00 53.33 C ATOM 0 H TRP A 35 3.644 -16.473 4.329 1.00 53.41 H new ATOM 0 HA TRP A 35 1.483 -18.208 3.322 1.00 74.04 H new ATOM 0 HB2 TRP A 35 3.824 -18.514 5.182 1.00 55.14 H new ATOM 0 HB3 TRP A 35 2.404 -19.495 5.486 1.00 55.14 H new ATOM 0 HD1 TRP A 35 5.421 -19.282 3.235 1.00 74.14 H new ATOM 0 HE1 TRP A 35 5.427 -21.225 1.529 1.00 32.11 H new ATOM 0 HE3 TRP A 35 0.671 -20.991 4.029 1.00 15.11 H new ATOM 0 HZ2 TRP A 35 3.620 -23.205 0.672 1.00 63.31 H new ATOM 0 HZ3 TRP A 35 -0.124 -22.921 2.723 1.00 64.03 H new ATOM 0 HH2 TRP A 35 1.335 -24.015 1.069 1.00 53.33 H new ATOM 598 N ARG A 36 1.349 -16.223 5.844 1.00 21.02 N ATOM 599 CA ARG A 36 0.493 -15.681 6.892 1.00 70.34 C ATOM 600 C ARG A 36 -0.467 -14.640 6.324 1.00 54.34 C ATOM 601 O ARG A 36 -0.439 -14.339 5.130 1.00 23.44 O ATOM 602 CB ARG A 36 1.340 -15.059 8.003 1.00 72.14 C ATOM 603 CG ARG A 36 1.705 -16.034 9.111 1.00 74.45 C ATOM 604 CD ARG A 36 2.393 -17.272 8.558 1.00 11.22 C ATOM 605 NE ARG A 36 3.206 -17.943 9.569 1.00 73.21 N ATOM 606 CZ ARG A 36 3.808 -19.110 9.372 1.00 20.34 C ATOM 607 NH1 ARG A 36 3.689 -19.733 8.207 1.00 45.30 N ATOM 608 NH2 ARG A 36 4.532 -19.657 10.341 1.00 71.20 N ATOM 0 H ARG A 36 2.157 -15.643 5.618 1.00 21.02 H new ATOM 0 HA ARG A 36 -0.092 -16.501 7.309 1.00 70.34 H new ATOM 0 HB2 ARG A 36 2.255 -14.657 7.568 1.00 72.14 H new ATOM 0 HB3 ARG A 36 0.797 -14.219 8.435 1.00 72.14 H new ATOM 0 HG2 ARG A 36 2.361 -15.542 9.829 1.00 74.45 H new ATOM 0 HG3 ARG A 36 0.805 -16.327 9.651 1.00 74.45 H new ATOM 0 HD2 ARG A 36 1.642 -17.965 8.178 1.00 11.22 H new ATOM 0 HD3 ARG A 36 3.023 -16.990 7.714 1.00 11.22 H new ATOM 0 HE ARG A 36 3.317 -17.490 10.476 1.00 73.21 H new ATOM 0 HH11 ARG A 36 3.134 -19.316 7.460 1.00 45.30 H new ATOM 0 HH12 ARG A 36 4.153 -20.629 8.058 1.00 45.30 H new ATOM 0 HH21 ARG A 36 4.626 -19.181 11.238 1.00 71.20 H new ATOM 0 HH22 ARG A 36 4.994 -20.554 10.188 1.00 71.20 H new ATOM 622 N CYS A 37 -1.314 -14.091 7.188 1.00 72.32 N ATOM 623 CA CYS A 37 -2.283 -13.083 6.774 1.00 52.13 C ATOM 624 C CYS A 37 -1.905 -11.708 7.317 1.00 5.25 C ATOM 625 O CYS A 37 -1.189 -11.598 8.314 1.00 54.44 O ATOM 626 CB CYS A 37 -3.685 -13.466 7.254 1.00 14.55 C ATOM 627 SG CYS A 37 -4.482 -14.768 6.262 1.00 52.02 S ATOM 0 H CYS A 37 -1.349 -14.327 8.180 1.00 72.32 H new ATOM 0 HA CYS A 37 -2.279 -13.037 5.685 1.00 52.13 H new ATOM 0 HB2 CYS A 37 -3.624 -13.800 8.290 1.00 14.55 H new ATOM 0 HB3 CYS A 37 -4.316 -12.578 7.242 1.00 14.55 H new ATOM 632 N LYS A 38 -2.390 -10.662 6.657 1.00 23.42 N ATOM 633 CA LYS A 38 -2.104 -9.294 7.073 1.00 23.43 C ATOM 634 C LYS A 38 -3.118 -8.819 8.108 1.00 53.44 C ATOM 635 O LYS A 38 -4.257 -9.282 8.133 1.00 75.12 O ATOM 636 CB LYS A 38 -2.117 -8.358 5.862 1.00 32.40 C ATOM 637 CG LYS A 38 -0.762 -8.213 5.192 1.00 40.01 C ATOM 638 CD LYS A 38 0.069 -7.121 5.845 1.00 34.12 C ATOM 639 CE LYS A 38 1.436 -6.995 5.192 1.00 23.31 C ATOM 640 NZ LYS A 38 2.446 -7.874 5.846 1.00 42.20 N ATOM 0 H LYS A 38 -2.984 -10.736 5.831 1.00 23.42 H new ATOM 0 HA LYS A 38 -1.113 -9.277 7.526 1.00 23.43 H new ATOM 0 HB2 LYS A 38 -2.836 -8.731 5.132 1.00 32.40 H new ATOM 0 HB3 LYS A 38 -2.464 -7.374 6.177 1.00 32.40 H new ATOM 0 HG2 LYS A 38 -0.226 -9.160 5.245 1.00 40.01 H new ATOM 0 HG3 LYS A 38 -0.900 -7.984 4.135 1.00 40.01 H new ATOM 0 HD2 LYS A 38 -0.458 -6.170 5.774 1.00 34.12 H new ATOM 0 HD3 LYS A 38 0.190 -7.340 6.906 1.00 34.12 H new ATOM 0 HE2 LYS A 38 1.359 -7.253 4.136 1.00 23.31 H new ATOM 0 HE3 LYS A 38 1.769 -5.958 5.243 1.00 23.31 H new ATOM 0 HZ1 LYS A 38 3.352 -7.369 5.917 1.00 42.20 H new ATOM 0 HZ2 LYS A 38 2.117 -8.131 6.799 1.00 42.20 H new ATOM 0 HZ3 LYS A 38 2.574 -8.737 5.279 1.00 42.20 H new ATOM 654 N ASN A 39 -2.696 -7.889 8.960 1.00 64.54 N ATOM 655 CA ASN A 39 -3.568 -7.350 9.996 1.00 11.11 C ATOM 656 C ASN A 39 -4.299 -6.107 9.499 1.00 51.13 C ATOM 657 O ASN A 39 -5.220 -5.615 10.151 1.00 54.41 O ATOM 658 CB ASN A 39 -2.756 -7.011 11.249 1.00 75.21 C ATOM 659 CG ASN A 39 -3.554 -6.197 12.251 1.00 63.04 C ATOM 660 OD1 ASN A 39 -3.173 -5.080 12.602 1.00 71.32 O ATOM 661 ND2 ASN A 39 -4.664 -6.756 12.716 1.00 31.13 N ATOM 0 H ASN A 39 -1.756 -7.494 8.952 1.00 64.54 H new ATOM 0 HA ASN A 39 -4.309 -8.110 10.245 1.00 11.11 H new ATOM 0 HB2 ASN A 39 -2.418 -7.934 11.721 1.00 75.21 H new ATOM 0 HB3 ASN A 39 -1.864 -6.455 10.961 1.00 75.21 H new ATOM 0 HD21 ASN A 39 -5.241 -6.257 13.393 1.00 31.13 H new ATOM 0 HD22 ASN A 39 -4.940 -7.684 12.396 1.00 31.13 H new ATOM 668 N GLN A 40 -3.883 -5.606 8.340 1.00 1.53 N ATOM 669 CA GLN A 40 -4.499 -4.420 7.757 1.00 42.33 C ATOM 670 C GLN A 40 -3.915 -4.127 6.379 1.00 51.24 C ATOM 671 O GLN A 40 -2.828 -4.594 6.042 1.00 55.35 O ATOM 672 CB GLN A 40 -4.302 -3.212 8.675 1.00 65.55 C ATOM 673 CG GLN A 40 -5.511 -2.293 8.738 1.00 11.20 C ATOM 674 CD GLN A 40 -5.145 -0.872 9.118 1.00 24.43 C ATOM 675 OE1 GLN A 40 -5.457 -0.411 10.217 1.00 52.53 O ATOM 676 NE2 GLN A 40 -4.477 -0.169 8.210 1.00 20.15 N ATOM 0 H GLN A 40 -3.123 -6.002 7.787 1.00 1.53 H new ATOM 0 HA GLN A 40 -5.566 -4.612 7.647 1.00 42.33 H new ATOM 0 HB2 GLN A 40 -4.071 -3.564 9.680 1.00 65.55 H new ATOM 0 HB3 GLN A 40 -3.440 -2.641 8.331 1.00 65.55 H new ATOM 0 HG2 GLN A 40 -6.010 -2.289 7.769 1.00 11.20 H new ATOM 0 HG3 GLN A 40 -6.224 -2.686 9.462 1.00 11.20 H new ATOM 0 HE21 GLN A 40 -4.239 -0.591 7.312 1.00 20.15 H new ATOM 0 HE22 GLN A 40 -4.202 0.792 8.411 1.00 20.15 H new ATOM 685 N ASN A 41 -4.646 -3.350 5.585 1.00 44.24 N ATOM 686 CA ASN A 41 -4.201 -2.995 4.242 1.00 50.13 C ATOM 687 C ASN A 41 -5.063 -1.880 3.660 1.00 14.21 C ATOM 688 O ASN A 41 -6.224 -1.716 4.037 1.00 74.42 O ATOM 689 CB ASN A 41 -4.245 -4.220 3.327 1.00 33.21 C ATOM 690 CG ASN A 41 -3.181 -4.174 2.248 1.00 61.25 C ATOM 691 OD1 ASN A 41 -3.316 -3.229 1.324 1.00 0.23 O flip ATOM 692 ND2 ASN A 41 -2.249 -4.979 2.243 1.00 42.41 N flip ATOM 0 H ASN A 41 -5.549 -2.955 5.849 1.00 44.24 H new ATOM 0 HA ASN A 41 -3.174 -2.637 4.310 1.00 50.13 H new ATOM 0 HB2 ASN A 41 -4.113 -5.122 3.925 1.00 33.21 H new ATOM 0 HB3 ASN A 41 -5.228 -4.287 2.861 1.00 33.21 H new ATOM 0 HD21 ASN A 41 -2.184 -5.689 2.973 1.00 42.41 H new ATOM 0 HD22 ASN A 41 -1.542 -4.936 1.509 1.00 42.41 H new ATOM 699 N THR A 42 -4.488 -1.114 2.738 1.00 73.22 N ATOM 700 CA THR A 42 -5.204 -0.014 2.103 1.00 33.14 C ATOM 701 C THR A 42 -4.883 0.065 0.615 1.00 4.34 C ATOM 702 O THR A 42 -3.742 0.321 0.229 1.00 22.55 O ATOM 703 CB THR A 42 -4.861 1.335 2.763 1.00 22.44 C ATOM 704 OG1 THR A 42 -5.255 1.321 4.140 1.00 12.31 O ATOM 705 CG2 THR A 42 -5.553 2.481 2.043 1.00 51.50 C ATOM 0 H THR A 42 -3.528 -1.235 2.414 1.00 73.22 H new ATOM 0 HA THR A 42 -6.268 -0.213 2.232 1.00 33.14 H new ATOM 0 HB THR A 42 -3.783 1.484 2.696 1.00 22.44 H new ATOM 0 HG1 THR A 42 -5.032 2.181 4.553 1.00 12.31 H new ATOM 0 HG21 THR A 42 -5.296 3.423 2.527 1.00 51.50 H new ATOM 0 HG22 THR A 42 -5.228 2.507 1.003 1.00 51.50 H new ATOM 0 HG23 THR A 42 -6.633 2.336 2.082 1.00 51.50 H new ATOM 713 N PHE A 43 -5.895 -0.153 -0.216 1.00 34.40 N ATOM 714 CA PHE A 43 -5.721 -0.107 -1.663 1.00 63.23 C ATOM 715 C PHE A 43 -6.182 1.235 -2.224 1.00 51.30 C ATOM 716 O PHE A 43 -7.381 1.496 -2.334 1.00 61.55 O ATOM 717 CB PHE A 43 -6.498 -1.245 -2.329 1.00 62.11 C ATOM 718 CG PHE A 43 -6.085 -2.609 -1.856 1.00 63.25 C ATOM 719 CD1 PHE A 43 -6.182 -2.952 -0.517 1.00 22.11 C ATOM 720 CD2 PHE A 43 -5.600 -3.550 -2.751 1.00 3.12 C ATOM 721 CE1 PHE A 43 -5.801 -4.206 -0.080 1.00 34.55 C ATOM 722 CE2 PHE A 43 -5.220 -4.807 -2.319 1.00 44.35 C ATOM 723 CZ PHE A 43 -5.321 -5.135 -0.981 1.00 73.23 C ATOM 0 H PHE A 43 -6.846 -0.364 0.088 1.00 34.40 H new ATOM 0 HA PHE A 43 -4.659 -0.226 -1.880 1.00 63.23 H new ATOM 0 HB2 PHE A 43 -7.562 -1.109 -2.136 1.00 62.11 H new ATOM 0 HB3 PHE A 43 -6.359 -1.186 -3.409 1.00 62.11 H new ATOM 0 HD1 PHE A 43 -6.560 -2.231 0.193 1.00 22.11 H new ATOM 0 HD2 PHE A 43 -5.518 -3.298 -3.798 1.00 3.12 H new ATOM 0 HE1 PHE A 43 -5.879 -4.460 0.967 1.00 34.55 H new ATOM 0 HE2 PHE A 43 -4.845 -5.531 -3.027 1.00 44.35 H new ATOM 0 HZ PHE A 43 -5.025 -6.116 -0.641 1.00 73.23 H new ATOM 733 N LEU A 44 -5.222 2.083 -2.577 1.00 70.42 N ATOM 734 CA LEU A 44 -5.529 3.399 -3.126 1.00 42.21 C ATOM 735 C LEU A 44 -5.838 3.309 -4.617 1.00 21.44 C ATOM 736 O LEU A 44 -5.032 2.806 -5.400 1.00 24.33 O ATOM 737 CB LEU A 44 -4.357 4.355 -2.895 1.00 44.44 C ATOM 738 CG LEU A 44 -3.484 4.064 -1.673 1.00 62.20 C ATOM 739 CD1 LEU A 44 -2.490 5.192 -1.447 1.00 3.12 C ATOM 740 CD2 LEU A 44 -4.348 3.856 -0.438 1.00 3.22 C ATOM 0 H LEU A 44 -4.225 1.883 -2.493 1.00 70.42 H new ATOM 0 HA LEU A 44 -6.411 3.782 -2.613 1.00 42.21 H new ATOM 0 HB2 LEU A 44 -3.723 4.341 -3.781 1.00 44.44 H new ATOM 0 HB3 LEU A 44 -4.752 5.367 -2.802 1.00 44.44 H new ATOM 0 HG LEU A 44 -2.925 3.147 -1.859 1.00 62.20 H new ATOM 0 HD11 LEU A 44 -1.878 4.968 -0.574 1.00 3.12 H new ATOM 0 HD12 LEU A 44 -1.849 5.293 -2.323 1.00 3.12 H new ATOM 0 HD13 LEU A 44 -3.029 6.125 -1.282 1.00 3.12 H new ATOM 0 HD21 LEU A 44 -3.710 3.650 0.422 1.00 3.22 H new ATOM 0 HD22 LEU A 44 -4.934 4.755 -0.248 1.00 3.22 H new ATOM 0 HD23 LEU A 44 -5.020 3.013 -0.602 1.00 3.22 H new ATOM 752 N ARG A 45 -7.011 3.800 -5.004 1.00 30.04 N ATOM 753 CA ARG A 45 -7.427 3.775 -6.400 1.00 73.21 C ATOM 754 C ARG A 45 -6.640 4.793 -7.220 1.00 73.12 C ATOM 755 O ARG A 45 -7.140 5.875 -7.532 1.00 44.42 O ATOM 756 CB ARG A 45 -8.926 4.062 -6.513 1.00 61.23 C ATOM 757 CG ARG A 45 -9.774 3.263 -5.539 1.00 22.53 C ATOM 758 CD ARG A 45 -11.223 3.185 -5.994 1.00 73.33 C ATOM 759 NE ARG A 45 -12.026 4.277 -5.451 1.00 41.31 N ATOM 760 CZ ARG A 45 -12.543 4.272 -4.227 1.00 73.33 C ATOM 761 NH1 ARG A 45 -12.342 3.237 -3.424 1.00 1.44 N ATOM 762 NH2 ARG A 45 -13.263 5.304 -3.806 1.00 32.43 N ATOM 0 H ARG A 45 -7.690 4.220 -4.369 1.00 30.04 H new ATOM 0 HA ARG A 45 -7.224 2.780 -6.796 1.00 73.21 H new ATOM 0 HB2 ARG A 45 -9.098 5.125 -6.344 1.00 61.23 H new ATOM 0 HB3 ARG A 45 -9.253 3.844 -7.530 1.00 61.23 H new ATOM 0 HG2 ARG A 45 -9.367 2.256 -5.442 1.00 22.53 H new ATOM 0 HG3 ARG A 45 -9.726 3.722 -4.552 1.00 22.53 H new ATOM 0 HD2 ARG A 45 -11.263 3.212 -7.083 1.00 73.33 H new ATOM 0 HD3 ARG A 45 -11.650 2.232 -5.683 1.00 73.33 H new ATOM 0 HE ARG A 45 -12.200 5.088 -6.044 1.00 41.31 H new ATOM 0 HH11 ARG A 45 -11.789 2.442 -3.745 1.00 1.44 H new ATOM 0 HH12 ARG A 45 -12.740 3.235 -2.485 1.00 1.44 H new ATOM 0 HH21 ARG A 45 -13.420 6.102 -4.422 1.00 32.43 H new ATOM 0 HH22 ARG A 45 -13.660 5.300 -2.866 1.00 32.43 H new ATOM 776 N THR A 46 -5.407 4.441 -7.567 1.00 22.41 N ATOM 777 CA THR A 46 -4.550 5.323 -8.348 1.00 72.44 C ATOM 778 C THR A 46 -3.375 4.559 -8.948 1.00 32.10 C ATOM 779 O THR A 46 -3.033 3.467 -8.493 1.00 60.11 O ATOM 780 CB THR A 46 -4.009 6.484 -7.492 1.00 51.14 C ATOM 781 OG1 THR A 46 -3.359 7.447 -8.329 1.00 10.22 O ATOM 782 CG2 THR A 46 -3.034 5.974 -6.443 1.00 45.13 C ATOM 0 H THR A 46 -4.979 3.549 -7.319 1.00 22.41 H new ATOM 0 HA THR A 46 -5.164 5.729 -9.152 1.00 72.44 H new ATOM 0 HB THR A 46 -4.850 6.955 -6.983 1.00 51.14 H new ATOM 0 HG1 THR A 46 -3.304 8.305 -7.859 1.00 10.22 H new ATOM 0 HG21 THR A 46 -2.665 6.812 -5.851 1.00 45.13 H new ATOM 0 HG22 THR A 46 -3.541 5.263 -5.790 1.00 45.13 H new ATOM 0 HG23 THR A 46 -2.196 5.481 -6.935 1.00 45.13 H new ATOM 790 N THR A 47 -2.759 5.139 -9.974 1.00 10.52 N ATOM 791 CA THR A 47 -1.622 4.513 -10.637 1.00 51.20 C ATOM 792 C THR A 47 -0.332 4.757 -9.862 1.00 24.21 C ATOM 793 O THR A 47 -0.236 5.700 -9.077 1.00 41.32 O ATOM 794 CB THR A 47 -1.451 5.038 -12.074 1.00 53.34 C ATOM 795 OG1 THR A 47 -2.723 5.418 -12.611 1.00 73.22 O ATOM 796 CG2 THR A 47 -0.815 3.981 -12.964 1.00 30.53 C ATOM 0 H THR A 47 -3.029 6.042 -10.364 1.00 10.52 H new ATOM 0 HA THR A 47 -1.826 3.443 -10.671 1.00 51.20 H new ATOM 0 HB THR A 47 -0.795 5.908 -12.044 1.00 53.34 H new ATOM 0 HG1 THR A 47 -2.606 5.752 -13.525 1.00 73.22 H new ATOM 0 HG21 THR A 47 -0.704 4.375 -13.974 1.00 30.53 H new ATOM 0 HG22 THR A 47 0.165 3.715 -12.569 1.00 30.53 H new ATOM 0 HG23 THR A 47 -1.450 3.095 -12.987 1.00 30.53 H new ATOM 804 N PHE A 48 0.659 3.901 -10.088 1.00 23.42 N ATOM 805 CA PHE A 48 1.945 4.023 -9.411 1.00 34.12 C ATOM 806 C PHE A 48 2.562 5.396 -9.659 1.00 15.10 C ATOM 807 O PHE A 48 3.166 5.988 -8.765 1.00 74.20 O ATOM 808 CB PHE A 48 2.902 2.928 -9.886 1.00 33.41 C ATOM 809 CG PHE A 48 3.889 2.499 -8.840 1.00 1.44 C ATOM 810 CD1 PHE A 48 3.459 1.912 -7.661 1.00 21.40 C ATOM 811 CD2 PHE A 48 5.248 2.684 -9.033 1.00 64.04 C ATOM 812 CE1 PHE A 48 4.366 1.517 -6.695 1.00 71.14 C ATOM 813 CE2 PHE A 48 6.161 2.291 -8.072 1.00 60.14 C ATOM 814 CZ PHE A 48 5.719 1.706 -6.902 1.00 22.53 C ATOM 0 H PHE A 48 0.596 3.115 -10.735 1.00 23.42 H new ATOM 0 HA PHE A 48 1.776 3.908 -8.340 1.00 34.12 H new ATOM 0 HB2 PHE A 48 2.321 2.062 -10.203 1.00 33.41 H new ATOM 0 HB3 PHE A 48 3.445 3.286 -10.761 1.00 33.41 H new ATOM 0 HD1 PHE A 48 2.403 1.761 -7.494 1.00 21.40 H new ATOM 0 HD2 PHE A 48 5.599 3.141 -9.946 1.00 64.04 H new ATOM 0 HE1 PHE A 48 4.017 1.061 -5.780 1.00 71.14 H new ATOM 0 HE2 PHE A 48 7.218 2.441 -8.236 1.00 60.14 H new ATOM 0 HZ PHE A 48 6.430 1.397 -6.150 1.00 22.53 H new ATOM 824 N ALA A 49 2.405 5.896 -10.881 1.00 12.31 N ATOM 825 CA ALA A 49 2.945 7.200 -11.247 1.00 33.01 C ATOM 826 C ALA A 49 2.411 8.293 -10.328 1.00 75.40 C ATOM 827 O ALA A 49 3.162 9.150 -9.866 1.00 12.23 O ATOM 828 CB ALA A 49 2.615 7.518 -12.698 1.00 5.31 C ATOM 0 H ALA A 49 1.909 5.418 -11.633 1.00 12.31 H new ATOM 0 HA ALA A 49 4.028 7.164 -11.132 1.00 33.01 H new ATOM 0 HB1 ALA A 49 3.024 8.494 -12.959 1.00 5.31 H new ATOM 0 HB2 ALA A 49 3.051 6.757 -13.345 1.00 5.31 H new ATOM 0 HB3 ALA A 49 1.533 7.530 -12.831 1.00 5.31 H new ATOM 834 N ASN A 50 1.108 8.258 -10.069 1.00 72.30 N ATOM 835 CA ASN A 50 0.472 9.247 -9.207 1.00 3.31 C ATOM 836 C ASN A 50 1.011 9.153 -7.783 1.00 20.03 C ATOM 837 O ASN A 50 0.917 10.105 -7.007 1.00 45.14 O ATOM 838 CB ASN A 50 -1.046 9.052 -9.203 1.00 61.03 C ATOM 839 CG ASN A 50 -1.677 9.410 -10.535 1.00 22.33 C ATOM 840 OD1 ASN A 50 -1.772 10.584 -10.894 1.00 63.33 O ATOM 841 ND2 ASN A 50 -2.113 8.397 -11.274 1.00 25.44 N ATOM 0 H ASN A 50 0.472 7.555 -10.444 1.00 72.30 H new ATOM 0 HA ASN A 50 0.703 10.237 -9.601 1.00 3.31 H new ATOM 0 HB2 ASN A 50 -1.276 8.014 -8.962 1.00 61.03 H new ATOM 0 HB3 ASN A 50 -1.487 9.667 -8.418 1.00 61.03 H new ATOM 0 HD21 ASN A 50 -2.548 8.576 -12.179 1.00 25.44 H new ATOM 0 HD22 ASN A 50 -2.013 7.440 -10.937 1.00 25.44 H new ATOM 848 N VAL A 51 1.576 7.998 -7.445 1.00 3.41 N ATOM 849 CA VAL A 51 2.132 7.779 -6.114 1.00 42.42 C ATOM 850 C VAL A 51 3.598 8.196 -6.057 1.00 25.34 C ATOM 851 O VAL A 51 4.029 8.859 -5.113 1.00 5.11 O ATOM 852 CB VAL A 51 2.012 6.304 -5.691 1.00 42.10 C ATOM 853 CG1 VAL A 51 3.030 5.973 -4.611 1.00 43.10 C ATOM 854 CG2 VAL A 51 0.599 6.001 -5.216 1.00 24.53 C ATOM 0 H VAL A 51 1.661 7.200 -8.074 1.00 3.41 H new ATOM 0 HA VAL A 51 1.555 8.394 -5.424 1.00 42.42 H new ATOM 0 HB VAL A 51 2.222 5.677 -6.557 1.00 42.10 H new ATOM 0 HG11 VAL A 51 2.930 4.926 -4.325 1.00 43.10 H new ATOM 0 HG12 VAL A 51 4.036 6.150 -4.992 1.00 43.10 H new ATOM 0 HG13 VAL A 51 2.855 6.605 -3.740 1.00 43.10 H new ATOM 0 HG21 VAL A 51 0.531 4.954 -4.921 1.00 24.53 H new ATOM 0 HG22 VAL A 51 0.358 6.635 -4.363 1.00 24.53 H new ATOM 0 HG23 VAL A 51 -0.106 6.196 -6.024 1.00 24.53 H new ATOM 864 N VAL A 52 4.360 7.803 -7.072 1.00 64.53 N ATOM 865 CA VAL A 52 5.778 8.136 -7.138 1.00 10.02 C ATOM 866 C VAL A 52 5.988 9.645 -7.154 1.00 11.13 C ATOM 867 O VAL A 52 6.966 10.152 -6.607 1.00 32.05 O ATOM 868 CB VAL A 52 6.441 7.524 -8.387 1.00 0.12 C ATOM 869 CG1 VAL A 52 7.936 7.799 -8.386 1.00 65.31 C ATOM 870 CG2 VAL A 52 6.165 6.029 -8.457 1.00 40.15 C ATOM 0 H VAL A 52 4.019 7.253 -7.861 1.00 64.53 H new ATOM 0 HA VAL A 52 6.243 7.716 -6.246 1.00 10.02 H new ATOM 0 HB VAL A 52 6.011 7.992 -9.273 1.00 0.12 H new ATOM 0 HG11 VAL A 52 8.387 7.359 -9.275 1.00 65.31 H new ATOM 0 HG12 VAL A 52 8.108 8.875 -8.386 1.00 65.31 H new ATOM 0 HG13 VAL A 52 8.386 7.360 -7.496 1.00 65.31 H new ATOM 0 HG21 VAL A 52 6.640 5.612 -9.345 1.00 40.15 H new ATOM 0 HG22 VAL A 52 6.567 5.543 -7.568 1.00 40.15 H new ATOM 0 HG23 VAL A 52 5.089 5.860 -8.508 1.00 40.15 H new ATOM 880 N ASN A 53 5.061 10.360 -7.785 1.00 2.14 N ATOM 881 CA ASN A 53 5.144 11.813 -7.871 1.00 70.54 C ATOM 882 C ASN A 53 4.978 12.451 -6.495 1.00 73.11 C ATOM 883 O ASN A 53 5.402 13.585 -6.269 1.00 22.43 O ATOM 884 CB ASN A 53 4.076 12.350 -8.827 1.00 21.44 C ATOM 885 CG ASN A 53 3.678 13.777 -8.506 1.00 40.32 C ATOM 886 OD1 ASN A 53 4.356 14.726 -8.901 1.00 41.11 O ATOM 887 ND2 ASN A 53 2.573 13.937 -7.787 1.00 5.35 N ATOM 0 H ASN A 53 4.244 9.956 -8.244 1.00 2.14 H new ATOM 0 HA ASN A 53 6.130 12.073 -8.255 1.00 70.54 H new ATOM 0 HB2 ASN A 53 4.450 12.301 -9.850 1.00 21.44 H new ATOM 0 HB3 ASN A 53 3.195 11.710 -8.779 1.00 21.44 H new ATOM 0 HD21 ASN A 53 2.256 14.875 -7.541 1.00 5.35 H new ATOM 0 HD22 ASN A 53 2.042 13.122 -7.481 1.00 5.35 H new ATOM 894 N VAL A 54 4.358 11.714 -5.578 1.00 52.25 N ATOM 895 CA VAL A 54 4.137 12.206 -4.224 1.00 13.15 C ATOM 896 C VAL A 54 5.416 12.136 -3.398 1.00 44.14 C ATOM 897 O VAL A 54 5.604 12.906 -2.456 1.00 14.41 O ATOM 898 CB VAL A 54 3.033 11.405 -3.508 1.00 53.13 C ATOM 899 CG1 VAL A 54 3.127 11.594 -2.002 1.00 72.10 C ATOM 900 CG2 VAL A 54 1.661 11.815 -4.021 1.00 34.41 C ATOM 0 H VAL A 54 4.000 10.774 -5.749 1.00 52.25 H new ATOM 0 HA VAL A 54 3.822 13.246 -4.313 1.00 13.15 H new ATOM 0 HB VAL A 54 3.176 10.347 -3.726 1.00 53.13 H new ATOM 0 HG11 VAL A 54 2.339 11.021 -1.513 1.00 72.10 H new ATOM 0 HG12 VAL A 54 4.099 11.247 -1.652 1.00 72.10 H new ATOM 0 HG13 VAL A 54 3.010 12.650 -1.760 1.00 72.10 H new ATOM 0 HG21 VAL A 54 0.893 11.240 -3.505 1.00 34.41 H new ATOM 0 HG22 VAL A 54 1.505 12.878 -3.834 1.00 34.41 H new ATOM 0 HG23 VAL A 54 1.600 11.622 -5.092 1.00 34.41 H new ATOM 910 N CYS A 55 6.297 11.208 -3.758 1.00 32.44 N ATOM 911 CA CYS A 55 7.559 11.035 -3.052 1.00 3.11 C ATOM 912 C CYS A 55 8.484 12.225 -3.292 1.00 10.50 C ATOM 913 O CYS A 55 9.472 12.410 -2.583 1.00 50.52 O ATOM 914 CB CYS A 55 8.247 9.744 -3.500 1.00 2.03 C ATOM 915 SG CYS A 55 7.253 8.241 -3.230 1.00 63.30 S ATOM 0 H CYS A 55 6.158 10.564 -4.536 1.00 32.44 H new ATOM 0 HA CYS A 55 7.343 10.973 -1.985 1.00 3.11 H new ATOM 0 HB2 CYS A 55 8.488 9.822 -4.560 1.00 2.03 H new ATOM 0 HB3 CYS A 55 9.191 9.643 -2.965 1.00 2.03 H new ATOM 920 N GLY A 56 8.153 13.031 -4.296 1.00 50.14 N ATOM 921 CA GLY A 56 8.962 14.194 -4.613 1.00 21.13 C ATOM 922 C GLY A 56 8.425 15.464 -3.982 1.00 23.21 C ATOM 923 O GLY A 56 8.920 16.557 -4.253 1.00 65.44 O ATOM 0 H GLY A 56 7.339 12.899 -4.896 1.00 50.14 H new ATOM 0 HA2 GLY A 56 9.983 14.026 -4.271 1.00 21.13 H new ATOM 0 HA3 GLY A 56 9.004 14.319 -5.695 1.00 21.13 H new ATOM 927 N ASN A 57 7.408 15.318 -3.138 1.00 52.12 N ATOM 928 CA ASN A 57 6.801 16.464 -2.470 1.00 2.21 C ATOM 929 C ASN A 57 7.396 16.657 -1.078 1.00 15.33 C ATOM 930 O ASN A 57 8.056 15.766 -0.544 1.00 73.53 O ATOM 931 CB ASN A 57 5.287 16.278 -2.368 1.00 32.54 C ATOM 932 CG ASN A 57 4.619 16.218 -3.729 1.00 32.23 C ATOM 933 OD1 ASN A 57 5.107 16.798 -4.698 1.00 42.41 O ATOM 934 ND2 ASN A 57 3.496 15.513 -3.806 1.00 55.50 N ATOM 0 H ASN A 57 6.988 14.419 -2.901 1.00 52.12 H new ATOM 0 HA ASN A 57 7.011 17.354 -3.064 1.00 2.21 H new ATOM 0 HB2 ASN A 57 5.072 15.360 -1.820 1.00 32.54 H new ATOM 0 HB3 ASN A 57 4.861 17.100 -1.793 1.00 32.54 H new ATOM 0 HD21 ASN A 57 3.002 15.436 -4.695 1.00 55.50 H new ATOM 0 HD22 ASN A 57 3.128 15.048 -2.976 1.00 55.50 H new ATOM 941 N GLN A 58 7.155 17.828 -0.495 1.00 52.45 N ATOM 942 CA GLN A 58 7.666 18.139 0.834 1.00 25.03 C ATOM 943 C GLN A 58 7.414 16.984 1.797 1.00 2.14 C ATOM 944 O GLN A 58 6.278 16.738 2.204 1.00 43.21 O ATOM 945 CB GLN A 58 7.015 19.416 1.369 1.00 64.21 C ATOM 946 CG GLN A 58 7.896 20.187 2.339 1.00 14.41 C ATOM 947 CD GLN A 58 7.932 19.561 3.719 1.00 61.50 C ATOM 948 OE1 GLN A 58 6.892 19.241 4.295 1.00 21.11 O ATOM 949 NE2 GLN A 58 9.132 19.381 4.257 1.00 64.14 N ATOM 0 H GLN A 58 6.609 18.576 -0.923 1.00 52.45 H new ATOM 0 HA GLN A 58 8.742 18.295 0.755 1.00 25.03 H new ATOM 0 HB2 GLN A 58 6.760 20.063 0.530 1.00 64.21 H new ATOM 0 HB3 GLN A 58 6.081 19.157 1.867 1.00 64.21 H new ATOM 0 HG2 GLN A 58 8.909 20.238 1.941 1.00 14.41 H new ATOM 0 HG3 GLN A 58 7.532 21.211 2.418 1.00 14.41 H new ATOM 0 HE21 GLN A 58 9.968 19.661 3.744 1.00 64.14 H new ATOM 0 HE22 GLN A 58 9.218 18.963 5.183 1.00 64.14 H new ATOM 958 N SER A 59 8.481 16.278 2.160 1.00 21.42 N ATOM 959 CA SER A 59 8.375 15.146 3.073 1.00 22.42 C ATOM 960 C SER A 59 7.972 15.610 4.469 1.00 23.20 C ATOM 961 O SER A 59 8.002 16.803 4.771 1.00 41.54 O ATOM 962 CB SER A 59 9.703 14.390 3.137 1.00 30.40 C ATOM 963 OG SER A 59 10.745 15.226 3.611 1.00 34.21 O ATOM 0 H SER A 59 9.429 16.470 1.835 1.00 21.42 H new ATOM 0 HA SER A 59 7.602 14.477 2.695 1.00 22.42 H new ATOM 0 HB2 SER A 59 9.601 13.525 3.792 1.00 30.40 H new ATOM 0 HB3 SER A 59 9.958 14.012 2.147 1.00 30.40 H new ATOM 0 HG SER A 59 11.582 14.718 3.644 1.00 34.21 H new ATOM 969 N ILE A 60 7.596 14.658 5.317 1.00 21.10 N ATOM 970 CA ILE A 60 7.190 14.969 6.681 1.00 34.35 C ATOM 971 C ILE A 60 7.478 13.802 7.620 1.00 23.54 C ATOM 972 O ILE A 60 7.939 12.745 7.189 1.00 63.12 O ATOM 973 CB ILE A 60 5.690 15.314 6.756 1.00 3.42 C ATOM 974 CG1 ILE A 60 4.880 14.361 5.876 1.00 21.35 C ATOM 975 CG2 ILE A 60 5.458 16.758 6.336 1.00 0.34 C ATOM 976 CD1 ILE A 60 3.385 14.566 5.981 1.00 22.42 C ATOM 0 H ILE A 60 7.564 13.666 5.083 1.00 21.10 H new ATOM 0 HA ILE A 60 7.771 15.836 6.994 1.00 34.35 H new ATOM 0 HB ILE A 60 5.356 15.197 7.787 1.00 3.42 H new ATOM 0 HG12 ILE A 60 5.184 14.491 4.837 1.00 21.35 H new ATOM 0 HG13 ILE A 60 5.118 13.334 6.152 1.00 21.35 H new ATOM 0 HG21 ILE A 60 4.394 16.987 6.394 1.00 0.34 H new ATOM 0 HG22 ILE A 60 6.009 17.423 7.001 1.00 0.34 H new ATOM 0 HG23 ILE A 60 5.804 16.899 5.312 1.00 0.34 H new ATOM 0 HD11 ILE A 60 2.874 13.856 5.330 1.00 22.42 H new ATOM 0 HD12 ILE A 60 3.067 14.407 7.012 1.00 22.42 H new ATOM 0 HD13 ILE A 60 3.135 15.582 5.677 1.00 22.42 H new ATOM 988 N ARG A 61 7.202 14.000 8.904 1.00 2.52 N ATOM 989 CA ARG A 61 7.432 12.965 9.904 1.00 32.23 C ATOM 990 C ARG A 61 6.373 11.870 9.805 1.00 4.24 C ATOM 991 O ARG A 61 5.185 12.121 10.002 1.00 71.40 O ATOM 992 CB ARG A 61 7.423 13.571 11.309 1.00 73.43 C ATOM 993 CG ARG A 61 8.326 14.786 11.454 1.00 74.40 C ATOM 994 CD ARG A 61 8.751 14.995 12.899 1.00 62.30 C ATOM 995 NE ARG A 61 9.813 14.074 13.295 1.00 43.33 N ATOM 996 CZ ARG A 61 10.642 14.301 14.308 1.00 41.42 C ATOM 997 NH1 ARG A 61 10.532 15.413 15.022 1.00 5.12 N ATOM 998 NH2 ARG A 61 11.584 13.416 14.607 1.00 23.23 N ATOM 0 H ARG A 61 6.818 14.868 9.277 1.00 2.52 H new ATOM 0 HA ARG A 61 8.409 12.522 9.713 1.00 32.23 H new ATOM 0 HB2 ARG A 61 6.403 13.854 11.567 1.00 73.43 H new ATOM 0 HB3 ARG A 61 7.733 12.811 12.026 1.00 73.43 H new ATOM 0 HG2 ARG A 61 9.210 14.661 10.828 1.00 74.40 H new ATOM 0 HG3 ARG A 61 7.804 15.673 11.095 1.00 74.40 H new ATOM 0 HD2 ARG A 61 9.093 16.021 13.032 1.00 62.30 H new ATOM 0 HD3 ARG A 61 7.890 14.859 13.554 1.00 62.30 H new ATOM 0 HE ARG A 61 9.924 13.210 12.765 1.00 43.33 H new ATOM 0 HH11 ARG A 61 9.810 16.096 14.794 1.00 5.12 H new ATOM 0 HH12 ARG A 61 11.170 15.585 15.799 1.00 5.12 H new ATOM 0 HH21 ARG A 61 11.672 12.560 14.059 1.00 23.23 H new ATOM 0 HH22 ARG A 61 12.220 13.591 15.385 1.00 23.23 H new ATOM 1012 N CYS A 62 6.815 10.654 9.499 1.00 0.10 N ATOM 1013 CA CYS A 62 5.907 9.520 9.372 1.00 44.32 C ATOM 1014 C CYS A 62 5.530 8.970 10.744 1.00 64.11 C ATOM 1015 O CYS A 62 6.265 9.112 11.722 1.00 11.31 O ATOM 1016 CB CYS A 62 6.551 8.418 8.528 1.00 72.21 C ATOM 1017 SG CYS A 62 7.664 9.034 7.224 1.00 72.22 S ATOM 0 H CYS A 62 7.796 10.429 9.335 1.00 0.10 H new ATOM 0 HA CYS A 62 5.000 9.865 8.876 1.00 44.32 H new ATOM 0 HB2 CYS A 62 7.112 7.753 9.185 1.00 72.21 H new ATOM 0 HB3 CYS A 62 5.764 7.821 8.067 1.00 72.21 H new ATOM 1022 N PRO A 63 4.356 8.326 10.820 1.00 22.24 N ATOM 1023 CA PRO A 63 3.854 7.740 12.067 1.00 74.01 C ATOM 1024 C PRO A 63 4.662 6.522 12.503 1.00 52.41 C ATOM 1025 O PRO A 63 4.971 6.360 13.683 1.00 23.01 O ATOM 1026 CB PRO A 63 2.422 7.333 11.716 1.00 34.41 C ATOM 1027 CG PRO A 63 2.436 7.128 10.240 1.00 54.44 C ATOM 1028 CD PRO A 63 3.429 8.118 9.695 1.00 30.01 C ATOM 0 HA PRO A 63 3.921 8.439 12.901 1.00 74.01 H new ATOM 0 HB2 PRO A 63 2.130 6.422 12.239 1.00 34.41 H new ATOM 0 HB3 PRO A 63 1.709 8.107 12.001 1.00 34.41 H new ATOM 0 HG2 PRO A 63 2.725 6.107 9.990 1.00 54.44 H new ATOM 0 HG3 PRO A 63 1.446 7.292 9.814 1.00 54.44 H new ATOM 0 HD2 PRO A 63 3.944 7.729 8.817 1.00 30.01 H new ATOM 0 HD3 PRO A 63 2.946 9.048 9.395 1.00 30.01 H new ATOM 1036 N HIS A 64 5.003 5.669 11.541 1.00 12.13 N ATOM 1037 CA HIS A 64 5.776 4.465 11.827 1.00 43.54 C ATOM 1038 C HIS A 64 7.222 4.818 12.167 1.00 22.33 C ATOM 1039 O HIS A 64 7.938 4.022 12.775 1.00 72.11 O ATOM 1040 CB HIS A 64 5.739 3.515 10.630 1.00 10.25 C ATOM 1041 CG HIS A 64 4.621 2.520 10.691 1.00 61.24 C ATOM 1042 ND1 HIS A 64 3.307 2.681 10.971 1.00 60.23 N flip ATOM 1043 CD2 HIS A 64 4.798 1.174 10.447 1.00 31.12 C flip ATOM 1044 CE1 HIS A 64 2.719 1.442 10.892 1.00 24.11 C flip ATOM 1045 NE2 HIS A 64 3.640 0.551 10.573 1.00 70.35 N flip ATOM 0 H HIS A 64 4.757 5.789 10.559 1.00 12.13 H new ATOM 0 HA HIS A 64 5.328 3.970 12.689 1.00 43.54 H new ATOM 0 HB2 HIS A 64 5.645 4.100 9.715 1.00 10.25 H new ATOM 0 HB3 HIS A 64 6.687 2.981 10.571 1.00 10.25 H new ATOM 0 HD2 HIS A 64 5.736 0.703 10.193 1.00 31.12 H new ATOM 0 HE1 HIS A 64 1.674 1.231 11.063 1.00 24.11 H new ATOM 0 HE2 HIS A 64 3.484 -0.449 10.445 1.00 70.35 H new ATOM 1054 N ASN A 65 7.643 6.014 11.770 1.00 44.31 N ATOM 1055 CA ASN A 65 9.004 6.470 12.033 1.00 71.33 C ATOM 1056 C ASN A 65 9.002 7.884 12.608 1.00 25.51 C ATOM 1057 O ASN A 65 9.213 8.858 11.886 1.00 15.52 O ATOM 1058 CB ASN A 65 9.833 6.431 10.747 1.00 3.43 C ATOM 1059 CG ASN A 65 9.439 5.282 9.839 1.00 3.24 C ATOM 1060 OD1 ASN A 65 8.408 5.331 9.170 1.00 14.32 O ATOM 1061 ND2 ASN A 65 10.263 4.240 9.812 1.00 54.42 N ATOM 0 H ASN A 65 7.063 6.685 11.266 1.00 44.31 H new ATOM 0 HA ASN A 65 9.451 5.799 12.767 1.00 71.33 H new ATOM 0 HB2 ASN A 65 9.711 7.372 10.211 1.00 3.43 H new ATOM 0 HB3 ASN A 65 10.889 6.344 11.001 1.00 3.43 H new ATOM 0 HD21 ASN A 65 10.051 3.437 9.219 1.00 54.42 H new ATOM 0 HD22 ASN A 65 11.108 4.243 10.384 1.00 54.42 H new ATOM 1068 N ARG A 66 8.765 7.985 13.911 1.00 73.21 N ATOM 1069 CA ARG A 66 8.735 9.279 14.583 1.00 33.43 C ATOM 1070 C ARG A 66 10.137 9.875 14.677 1.00 31.33 C ATOM 1071 O ARG A 66 10.323 10.971 15.206 1.00 43.21 O ATOM 1072 CB ARG A 66 8.135 9.135 15.983 1.00 52.43 C ATOM 1073 CG ARG A 66 9.011 8.348 16.944 1.00 73.35 C ATOM 1074 CD ARG A 66 8.313 8.123 18.277 1.00 54.44 C ATOM 1075 NE ARG A 66 8.745 6.884 18.917 1.00 10.43 N ATOM 1076 CZ ARG A 66 8.326 6.492 20.116 1.00 42.23 C ATOM 1077 NH1 ARG A 66 7.469 7.238 20.799 1.00 15.11 N ATOM 1078 NH2 ARG A 66 8.764 5.351 20.632 1.00 0.44 N ATOM 0 H ARG A 66 8.591 7.187 14.523 1.00 73.21 H new ATOM 0 HA ARG A 66 8.112 9.953 13.995 1.00 33.43 H new ATOM 0 HB2 ARG A 66 7.958 10.128 16.397 1.00 52.43 H new ATOM 0 HB3 ARG A 66 7.165 8.644 15.904 1.00 52.43 H new ATOM 0 HG2 ARG A 66 9.268 7.386 16.500 1.00 73.35 H new ATOM 0 HG3 ARG A 66 9.946 8.884 17.107 1.00 73.35 H new ATOM 0 HD2 ARG A 66 8.517 8.964 18.940 1.00 54.44 H new ATOM 0 HD3 ARG A 66 7.235 8.094 18.121 1.00 54.44 H new ATOM 0 HE ARG A 66 9.404 6.287 18.417 1.00 10.43 H new ATOM 0 HH11 ARG A 66 7.129 8.115 20.405 1.00 15.11 H new ATOM 0 HH12 ARG A 66 7.149 6.935 21.719 1.00 15.11 H new ATOM 0 HH21 ARG A 66 9.423 4.774 20.109 1.00 0.44 H new ATOM 0 HH22 ARG A 66 8.442 5.051 21.552 1.00 0.44 H new ATOM 1092 N THR A 67 11.121 9.144 14.161 1.00 72.22 N ATOM 1093 CA THR A 67 12.505 9.599 14.188 1.00 11.21 C ATOM 1094 C THR A 67 13.128 9.545 12.798 1.00 52.45 C ATOM 1095 O THR A 67 14.348 9.447 12.657 1.00 23.51 O ATOM 1096 CB THR A 67 13.356 8.753 15.153 1.00 73.50 C ATOM 1097 OG1 THR A 67 14.706 9.228 15.161 1.00 21.25 O ATOM 1098 CG2 THR A 67 13.330 7.285 14.751 1.00 4.41 C ATOM 0 H THR A 67 10.984 8.235 13.720 1.00 72.22 H new ATOM 0 HA THR A 67 12.492 10.631 14.538 1.00 11.21 H new ATOM 0 HB THR A 67 12.934 8.847 16.154 1.00 73.50 H new ATOM 0 HG1 THR A 67 15.081 9.162 14.258 1.00 21.25 H new ATOM 0 HG21 THR A 67 13.938 6.706 15.447 1.00 4.41 H new ATOM 0 HG22 THR A 67 12.303 6.919 14.775 1.00 4.41 H new ATOM 0 HG23 THR A 67 13.730 7.177 13.743 1.00 4.41 H new ATOM 1106 N LEU A 68 12.285 9.610 11.774 1.00 41.25 N ATOM 1107 CA LEU A 68 12.754 9.570 10.392 1.00 14.44 C ATOM 1108 C LEU A 68 11.697 10.122 9.442 1.00 50.25 C ATOM 1109 O LEU A 68 10.500 10.042 9.715 1.00 45.40 O ATOM 1110 CB LEU A 68 13.113 8.137 9.998 1.00 45.12 C ATOM 1111 CG LEU A 68 13.020 7.809 8.507 1.00 64.23 C ATOM 1112 CD1 LEU A 68 14.192 8.417 7.753 1.00 64.14 C ATOM 1113 CD2 LEU A 68 12.972 6.302 8.295 1.00 60.24 C ATOM 0 H LEU A 68 11.273 9.691 11.874 1.00 41.25 H new ATOM 0 HA LEU A 68 13.644 10.195 10.317 1.00 14.44 H new ATOM 0 HB2 LEU A 68 14.130 7.933 10.332 1.00 45.12 H new ATOM 0 HB3 LEU A 68 12.457 7.457 10.541 1.00 45.12 H new ATOM 0 HG LEU A 68 12.099 8.241 8.116 1.00 64.23 H new ATOM 0 HD11 LEU A 68 14.109 8.173 6.694 1.00 64.14 H new ATOM 0 HD12 LEU A 68 14.183 9.500 7.878 1.00 64.14 H new ATOM 0 HD13 LEU A 68 15.126 8.014 8.146 1.00 64.14 H new ATOM 0 HD21 LEU A 68 12.906 6.087 7.229 1.00 60.24 H new ATOM 0 HD22 LEU A 68 13.876 5.848 8.702 1.00 60.24 H new ATOM 0 HD23 LEU A 68 12.100 5.891 8.803 1.00 60.24 H new ATOM 1125 N ASN A 69 12.148 10.681 8.324 1.00 64.24 N ATOM 1126 CA ASN A 69 11.241 11.245 7.331 1.00 60.41 C ATOM 1127 C ASN A 69 11.570 10.725 5.935 1.00 45.01 C ATOM 1128 O ASN A 69 12.028 11.475 5.074 1.00 10.44 O ATOM 1129 CB ASN A 69 11.316 12.773 7.350 1.00 2.11 C ATOM 1130 CG ASN A 69 12.745 13.280 7.384 1.00 12.34 C ATOM 1131 OD1 ASN A 69 13.531 12.897 8.252 1.00 74.54 O ATOM 1132 ND2 ASN A 69 13.088 14.147 6.439 1.00 53.31 N ATOM 0 H ASN A 69 13.136 10.756 8.083 1.00 64.24 H new ATOM 0 HA ASN A 69 10.227 10.935 7.585 1.00 60.41 H new ATOM 0 HB2 ASN A 69 10.813 13.170 6.468 1.00 2.11 H new ATOM 0 HB3 ASN A 69 10.779 13.150 8.220 1.00 2.11 H new ATOM 0 HD21 ASN A 69 14.036 14.524 6.412 1.00 53.31 H new ATOM 0 HD22 ASN A 69 12.404 14.436 5.740 1.00 53.31 H new ATOM 1139 N ASN A 70 11.335 9.435 5.718 1.00 14.03 N ATOM 1140 CA ASN A 70 11.607 8.815 4.426 1.00 12.12 C ATOM 1141 C ASN A 70 10.313 8.584 3.650 1.00 13.51 C ATOM 1142 O ASN A 70 10.296 7.868 2.650 1.00 20.42 O ATOM 1143 CB ASN A 70 12.341 7.486 4.620 1.00 54.51 C ATOM 1144 CG ASN A 70 13.848 7.657 4.632 1.00 25.02 C ATOM 1145 OD1 ASN A 70 14.358 8.777 4.641 1.00 31.41 O ATOM 1146 ND2 ASN A 70 14.569 6.541 4.631 1.00 43.11 N ATOM 0 H ASN A 70 10.957 8.799 6.420 1.00 14.03 H new ATOM 0 HA ASN A 70 12.239 9.492 3.852 1.00 12.12 H new ATOM 0 HB2 ASN A 70 12.022 7.031 5.558 1.00 54.51 H new ATOM 0 HB3 ASN A 70 12.062 6.799 3.821 1.00 54.51 H new ATOM 0 HD21 ASN A 70 15.588 6.592 4.638 1.00 43.11 H new ATOM 0 HD22 ASN A 70 14.104 5.633 4.623 1.00 43.11 H new ATOM 1153 N CYS A 71 9.232 9.198 4.119 1.00 72.35 N ATOM 1154 CA CYS A 71 7.933 9.062 3.470 1.00 43.14 C ATOM 1155 C CYS A 71 7.373 10.427 3.081 1.00 33.31 C ATOM 1156 O CYS A 71 7.934 11.464 3.437 1.00 71.10 O ATOM 1157 CB CYS A 71 6.951 8.339 4.393 1.00 3.13 C ATOM 1158 SG CYS A 71 6.252 9.392 5.705 1.00 3.13 S ATOM 0 H CYS A 71 9.230 9.795 4.946 1.00 72.35 H new ATOM 0 HA CYS A 71 8.068 8.473 2.563 1.00 43.14 H new ATOM 0 HB2 CYS A 71 6.136 7.935 3.793 1.00 3.13 H new ATOM 0 HB3 CYS A 71 7.459 7.492 4.854 1.00 3.13 H new ATOM 1163 N HIS A 72 6.262 10.419 2.351 1.00 62.00 N ATOM 1164 CA HIS A 72 5.625 11.656 1.915 1.00 61.01 C ATOM 1165 C HIS A 72 4.111 11.485 1.826 1.00 40.23 C ATOM 1166 O HIS A 72 3.620 10.467 1.338 1.00 53.35 O ATOM 1167 CB HIS A 72 6.181 12.092 0.559 1.00 22.41 C ATOM 1168 CG HIS A 72 7.633 11.772 0.377 1.00 1.33 C ATOM 1169 ND1 HIS A 72 8.306 10.604 0.507 1.00 54.33 N flip ATOM 1170 CD2 HIS A 72 8.573 12.716 0.021 1.00 73.03 C flip ATOM 1171 CE1 HIS A 72 9.625 10.862 0.227 1.00 60.52 C flip ATOM 1172 NE2 HIS A 72 9.760 12.144 -0.063 1.00 4.45 N flip ATOM 0 H HIS A 72 5.785 9.570 2.049 1.00 62.00 H new ATOM 0 HA HIS A 72 5.844 12.428 2.653 1.00 61.01 H new ATOM 0 HB2 HIS A 72 5.609 11.608 -0.232 1.00 22.41 H new ATOM 0 HB3 HIS A 72 6.037 13.166 0.445 1.00 22.41 H new ATOM 0 HD2 HIS A 72 8.370 13.761 -0.161 1.00 73.03 H new ATOM 0 HE1 HIS A 72 10.423 10.135 0.241 1.00 60.52 H new ATOM 0 HE2 HIS A 72 10.632 12.612 -0.310 1.00 4.45 H new ATOM 1181 N ARG A 73 3.379 12.486 2.300 1.00 54.34 N ATOM 1182 CA ARG A 73 1.921 12.446 2.275 1.00 50.22 C ATOM 1183 C ARG A 73 1.384 12.998 0.957 1.00 21.25 C ATOM 1184 O ARG A 73 1.903 13.979 0.426 1.00 3.31 O ATOM 1185 CB ARG A 73 1.347 13.246 3.446 1.00 20.24 C ATOM 1186 CG ARG A 73 -0.141 13.024 3.664 1.00 41.15 C ATOM 1187 CD ARG A 73 -0.736 14.092 4.568 1.00 53.13 C ATOM 1188 NE ARG A 73 -0.596 15.430 4.001 1.00 44.13 N ATOM 1189 CZ ARG A 73 -1.343 16.466 4.366 1.00 34.54 C ATOM 1190 NH1 ARG A 73 -2.279 16.317 5.293 1.00 54.44 N ATOM 1191 NH2 ARG A 73 -1.155 17.653 3.803 1.00 34.14 N ATOM 0 H ARG A 73 3.771 13.336 2.706 1.00 54.34 H new ATOM 0 HA ARG A 73 1.610 11.405 2.367 1.00 50.22 H new ATOM 0 HB2 ARG A 73 1.883 12.977 4.356 1.00 20.24 H new ATOM 0 HB3 ARG A 73 1.526 14.307 3.272 1.00 20.24 H new ATOM 0 HG2 ARG A 73 -0.656 13.031 2.703 1.00 41.15 H new ATOM 0 HG3 ARG A 73 -0.303 12.041 4.105 1.00 41.15 H new ATOM 0 HD2 ARG A 73 -1.792 13.878 4.735 1.00 53.13 H new ATOM 0 HD3 ARG A 73 -0.246 14.058 5.541 1.00 53.13 H new ATOM 0 HE ARG A 73 0.115 15.578 3.285 1.00 44.13 H new ATOM 0 HH11 ARG A 73 -2.426 15.406 5.727 1.00 54.44 H new ATOM 0 HH12 ARG A 73 -2.852 17.114 5.572 1.00 54.44 H new ATOM 0 HH21 ARG A 73 -0.436 17.771 3.089 1.00 34.14 H new ATOM 0 HH22 ARG A 73 -1.729 18.448 4.084 1.00 34.14 H new ATOM 1205 N SER A 74 0.342 12.359 0.435 1.00 10.42 N ATOM 1206 CA SER A 74 -0.263 12.783 -0.822 1.00 24.31 C ATOM 1207 C SER A 74 -0.686 14.247 -0.755 1.00 41.31 C ATOM 1208 O SER A 74 -1.166 14.719 0.275 1.00 10.40 O ATOM 1209 CB SER A 74 -1.472 11.905 -1.151 1.00 51.23 C ATOM 1210 OG SER A 74 -1.654 11.793 -2.553 1.00 5.03 O ATOM 0 H SER A 74 -0.101 11.546 0.863 1.00 10.42 H new ATOM 0 HA SER A 74 0.482 12.674 -1.611 1.00 24.31 H new ATOM 0 HB2 SER A 74 -1.334 10.914 -0.719 1.00 51.23 H new ATOM 0 HB3 SER A 74 -2.368 12.329 -0.697 1.00 51.23 H new ATOM 0 HG SER A 74 -1.613 10.849 -2.814 1.00 5.03 H new ATOM 1216 N ARG A 75 -0.503 14.960 -1.861 1.00 65.04 N ATOM 1217 CA ARG A 75 -0.863 16.371 -1.929 1.00 65.15 C ATOM 1218 C ARG A 75 -2.326 16.539 -2.332 1.00 5.54 C ATOM 1219 O ARG A 75 -3.013 17.439 -1.848 1.00 42.32 O ATOM 1220 CB ARG A 75 0.039 17.102 -2.927 1.00 32.53 C ATOM 1221 CG ARG A 75 0.007 16.508 -4.325 1.00 52.03 C ATOM 1222 CD ARG A 75 0.285 17.563 -5.385 1.00 45.21 C ATOM 1223 NE ARG A 75 1.711 17.675 -5.684 1.00 31.32 N ATOM 1224 CZ ARG A 75 2.243 18.688 -6.359 1.00 14.12 C ATOM 1225 NH1 ARG A 75 1.471 19.672 -6.801 1.00 60.03 N ATOM 1226 NH2 ARG A 75 3.548 18.719 -6.591 1.00 23.43 N ATOM 0 H ARG A 75 -0.107 14.584 -2.723 1.00 65.04 H new ATOM 0 HA ARG A 75 -0.724 16.804 -0.939 1.00 65.15 H new ATOM 0 HB2 ARG A 75 -0.264 18.148 -2.979 1.00 32.53 H new ATOM 0 HB3 ARG A 75 1.064 17.085 -2.557 1.00 32.53 H new ATOM 0 HG2 ARG A 75 0.747 15.711 -4.400 1.00 52.03 H new ATOM 0 HG3 ARG A 75 -0.968 16.056 -4.507 1.00 52.03 H new ATOM 0 HD2 ARG A 75 -0.258 17.313 -6.296 1.00 45.21 H new ATOM 0 HD3 ARG A 75 -0.091 18.528 -5.044 1.00 45.21 H new ATOM 0 HE ARG A 75 2.332 16.935 -5.357 1.00 31.32 H new ATOM 0 HH11 ARG A 75 0.467 19.652 -6.623 1.00 60.03 H new ATOM 0 HH12 ARG A 75 1.882 20.449 -7.319 1.00 60.03 H new ATOM 0 HH21 ARG A 75 4.144 17.965 -6.251 1.00 23.43 H new ATOM 0 HH22 ARG A 75 3.955 19.497 -7.109 1.00 23.43 H new ATOM 1240 N PHE A 76 -2.794 15.668 -3.218 1.00 52.04 N ATOM 1241 CA PHE A 76 -4.174 15.721 -3.687 1.00 15.42 C ATOM 1242 C PHE A 76 -4.981 14.547 -3.138 1.00 65.44 C ATOM 1243 O PHE A 76 -4.494 13.417 -3.087 1.00 3.11 O ATOM 1244 CB PHE A 76 -4.217 15.714 -5.216 1.00 11.32 C ATOM 1245 CG PHE A 76 -4.181 17.088 -5.823 1.00 32.25 C ATOM 1246 CD1 PHE A 76 -3.059 17.888 -5.689 1.00 52.52 C ATOM 1247 CD2 PHE A 76 -5.270 17.577 -6.527 1.00 2.12 C ATOM 1248 CE1 PHE A 76 -3.024 19.153 -6.246 1.00 42.22 C ATOM 1249 CE2 PHE A 76 -5.240 18.840 -7.087 1.00 54.21 C ATOM 1250 CZ PHE A 76 -4.115 19.629 -6.947 1.00 12.31 C ATOM 0 H PHE A 76 -2.238 14.916 -3.626 1.00 52.04 H new ATOM 0 HA PHE A 76 -4.619 16.647 -3.323 1.00 15.42 H new ATOM 0 HB2 PHE A 76 -3.373 15.137 -5.593 1.00 11.32 H new ATOM 0 HB3 PHE A 76 -5.123 15.204 -5.544 1.00 11.32 H new ATOM 0 HD1 PHE A 76 -2.202 17.520 -5.144 1.00 52.52 H new ATOM 0 HD2 PHE A 76 -6.152 16.964 -6.639 1.00 2.12 H new ATOM 0 HE1 PHE A 76 -2.144 19.769 -6.133 1.00 42.22 H new ATOM 0 HE2 PHE A 76 -6.095 19.210 -7.633 1.00 54.21 H new ATOM 0 HZ PHE A 76 -4.088 20.616 -7.385 1.00 12.31 H new ATOM 1260 N ARG A 77 -6.214 14.824 -2.729 1.00 22.53 N ATOM 1261 CA ARG A 77 -7.087 13.792 -2.183 1.00 34.33 C ATOM 1262 C ARG A 77 -7.555 12.839 -3.280 1.00 5.03 C ATOM 1263 O ARG A 77 -8.119 13.265 -4.288 1.00 64.40 O ATOM 1264 CB ARG A 77 -8.296 14.428 -1.496 1.00 32.04 C ATOM 1265 CG ARG A 77 -7.944 15.201 -0.236 1.00 55.21 C ATOM 1266 CD ARG A 77 -9.156 15.924 0.332 1.00 65.12 C ATOM 1267 NE ARG A 77 -9.528 17.084 -0.474 1.00 51.10 N ATOM 1268 CZ ARG A 77 -10.312 18.063 -0.035 1.00 44.11 C ATOM 1269 NH1 ARG A 77 -10.804 18.021 1.196 1.00 62.21 N ATOM 1270 NH2 ARG A 77 -10.606 19.085 -0.828 1.00 1.52 N ATOM 0 H ARG A 77 -6.631 15.754 -2.765 1.00 22.53 H new ATOM 0 HA ARG A 77 -6.518 13.222 -1.448 1.00 34.33 H new ATOM 0 HB2 ARG A 77 -8.790 15.100 -2.198 1.00 32.04 H new ATOM 0 HB3 ARG A 77 -9.013 13.646 -1.244 1.00 32.04 H new ATOM 0 HG2 ARG A 77 -7.544 14.517 0.512 1.00 55.21 H new ATOM 0 HG3 ARG A 77 -7.159 15.924 -0.459 1.00 55.21 H new ATOM 0 HD2 ARG A 77 -9.998 15.234 0.385 1.00 65.12 H new ATOM 0 HD3 ARG A 77 -8.942 16.244 1.352 1.00 65.12 H new ATOM 0 HE ARG A 77 -9.166 17.146 -1.426 1.00 51.10 H new ATOM 0 HH11 ARG A 77 -10.581 17.236 1.808 1.00 62.21 H new ATOM 0 HH12 ARG A 77 -11.406 18.774 1.531 1.00 62.21 H new ATOM 0 HH21 ARG A 77 -10.230 19.120 -1.776 1.00 1.52 H new ATOM 0 HH22 ARG A 77 -11.208 19.836 -0.490 1.00 1.52 H new ATOM 1284 N VAL A 78 -7.316 11.547 -3.075 1.00 61.31 N ATOM 1285 CA VAL A 78 -7.714 10.533 -4.045 1.00 43.55 C ATOM 1286 C VAL A 78 -8.506 9.415 -3.379 1.00 12.13 C ATOM 1287 O VAL A 78 -8.344 9.128 -2.193 1.00 32.44 O ATOM 1288 CB VAL A 78 -6.489 9.927 -4.757 1.00 14.41 C ATOM 1289 CG1 VAL A 78 -5.429 10.992 -4.998 1.00 11.14 C ATOM 1290 CG2 VAL A 78 -5.921 8.772 -3.947 1.00 20.03 C ATOM 0 H VAL A 78 -6.849 11.178 -2.247 1.00 61.31 H new ATOM 0 HA VAL A 78 -8.345 11.030 -4.782 1.00 43.55 H new ATOM 0 HB VAL A 78 -6.808 9.541 -5.725 1.00 14.41 H new ATOM 0 HG11 VAL A 78 -4.572 10.545 -5.502 1.00 11.14 H new ATOM 0 HG12 VAL A 78 -5.844 11.784 -5.622 1.00 11.14 H new ATOM 0 HG13 VAL A 78 -5.111 11.411 -4.043 1.00 11.14 H new ATOM 0 HG21 VAL A 78 -5.057 8.355 -4.464 1.00 20.03 H new ATOM 0 HG22 VAL A 78 -5.617 9.132 -2.964 1.00 20.03 H new ATOM 0 HG23 VAL A 78 -6.682 8.000 -3.832 1.00 20.03 H new ATOM 1300 N PRO A 79 -9.384 8.767 -4.158 1.00 34.14 N ATOM 1301 CA PRO A 79 -10.219 7.668 -3.664 1.00 73.43 C ATOM 1302 C PRO A 79 -9.408 6.411 -3.367 1.00 11.55 C ATOM 1303 O PRO A 79 -8.820 5.811 -4.266 1.00 43.32 O ATOM 1304 CB PRO A 79 -11.191 7.414 -4.820 1.00 42.45 C ATOM 1305 CG PRO A 79 -10.471 7.895 -6.032 1.00 61.14 C ATOM 1306 CD PRO A 79 -9.628 9.055 -5.581 1.00 75.11 C ATOM 0 HA PRO A 79 -10.708 7.920 -2.723 1.00 73.43 H new ATOM 0 HB2 PRO A 79 -11.441 6.356 -4.902 1.00 42.45 H new ATOM 0 HB3 PRO A 79 -12.127 7.953 -4.676 1.00 42.45 H new ATOM 0 HG2 PRO A 79 -9.852 7.105 -6.457 1.00 61.14 H new ATOM 0 HG3 PRO A 79 -11.173 8.201 -6.807 1.00 61.14 H new ATOM 0 HD2 PRO A 79 -8.697 9.117 -6.144 1.00 75.11 H new ATOM 0 HD3 PRO A 79 -10.146 10.005 -5.716 1.00 75.11 H new ATOM 1314 N LEU A 80 -9.379 6.019 -2.098 1.00 1.15 N ATOM 1315 CA LEU A 80 -8.639 4.834 -1.680 1.00 33.34 C ATOM 1316 C LEU A 80 -9.526 3.898 -0.863 1.00 22.41 C ATOM 1317 O LEU A 80 -10.652 4.247 -0.505 1.00 71.20 O ATOM 1318 CB LEU A 80 -7.412 5.236 -0.859 1.00 34.22 C ATOM 1319 CG LEU A 80 -7.658 6.241 0.266 1.00 55.24 C ATOM 1320 CD1 LEU A 80 -7.954 5.520 1.571 1.00 4.52 C ATOM 1321 CD2 LEU A 80 -6.460 7.167 0.425 1.00 60.22 C ATOM 0 H LEU A 80 -9.860 6.505 -1.341 1.00 1.15 H new ATOM 0 HA LEU A 80 -8.312 4.307 -2.576 1.00 33.34 H new ATOM 0 HB2 LEU A 80 -6.978 4.335 -0.426 1.00 34.22 H new ATOM 0 HB3 LEU A 80 -6.667 5.654 -1.536 1.00 34.22 H new ATOM 0 HG LEU A 80 -8.527 6.845 0.004 1.00 55.24 H new ATOM 0 HD11 LEU A 80 -8.126 6.252 2.360 1.00 4.52 H new ATOM 0 HD12 LEU A 80 -8.842 4.900 1.451 1.00 4.52 H new ATOM 0 HD13 LEU A 80 -7.106 4.890 1.839 1.00 4.52 H new ATOM 0 HD21 LEU A 80 -6.652 7.876 1.230 1.00 60.22 H new ATOM 0 HD22 LEU A 80 -5.574 6.578 0.664 1.00 60.22 H new ATOM 0 HD23 LEU A 80 -6.294 7.711 -0.505 1.00 60.22 H new ATOM 1333 N LEU A 81 -9.012 2.709 -0.571 1.00 42.35 N ATOM 1334 CA LEU A 81 -9.755 1.723 0.206 1.00 74.32 C ATOM 1335 C LEU A 81 -8.995 1.340 1.471 1.00 2.41 C ATOM 1336 O LEU A 81 -7.767 1.247 1.467 1.00 72.35 O ATOM 1337 CB LEU A 81 -10.022 0.476 -0.639 1.00 74.40 C ATOM 1338 CG LEU A 81 -11.304 -0.292 -0.315 1.00 60.52 C ATOM 1339 CD1 LEU A 81 -11.242 -0.866 1.091 1.00 73.40 C ATOM 1340 CD2 LEU A 81 -12.520 0.610 -0.472 1.00 72.54 C ATOM 0 H LEU A 81 -8.083 2.404 -0.861 1.00 42.35 H new ATOM 0 HA LEU A 81 -10.706 2.169 0.497 1.00 74.32 H new ATOM 0 HB2 LEU A 81 -10.055 0.772 -1.687 1.00 74.40 H new ATOM 0 HB3 LEU A 81 -9.177 -0.203 -0.526 1.00 74.40 H new ATOM 0 HG LEU A 81 -11.397 -1.119 -1.019 1.00 60.52 H new ATOM 0 HD11 LEU A 81 -12.163 -1.409 1.303 1.00 73.40 H new ATOM 0 HD12 LEU A 81 -10.394 -1.546 1.169 1.00 73.40 H new ATOM 0 HD13 LEU A 81 -11.125 -0.055 1.810 1.00 73.40 H new ATOM 0 HD21 LEU A 81 -13.423 0.047 -0.237 1.00 72.54 H new ATOM 0 HD22 LEU A 81 -12.434 1.458 0.208 1.00 72.54 H new ATOM 0 HD23 LEU A 81 -12.574 0.972 -1.499 1.00 72.54 H new ATOM 1352 N HIS A 82 -9.733 1.119 2.554 1.00 14.53 N ATOM 1353 CA HIS A 82 -9.129 0.744 3.828 1.00 62.43 C ATOM 1354 C HIS A 82 -9.734 -0.554 4.355 1.00 55.25 C ATOM 1355 O HIS A 82 -10.905 -0.595 4.734 1.00 32.54 O ATOM 1356 CB HIS A 82 -9.316 1.861 4.854 1.00 71.02 C ATOM 1357 CG HIS A 82 -8.835 1.501 6.226 1.00 14.10 C ATOM 1358 ND1 HIS A 82 -9.539 1.804 7.374 1.00 64.21 N ATOM 1359 CD2 HIS A 82 -7.716 0.858 6.631 1.00 20.34 C ATOM 1360 CE1 HIS A 82 -8.871 1.364 8.425 1.00 24.33 C ATOM 1361 NE2 HIS A 82 -7.761 0.785 8.003 1.00 55.12 N ATOM 0 H HIS A 82 -10.750 1.193 2.575 1.00 14.53 H new ATOM 0 HA HIS A 82 -8.063 0.587 3.664 1.00 62.43 H new ATOM 0 HB2 HIS A 82 -8.784 2.749 4.513 1.00 71.02 H new ATOM 0 HB3 HIS A 82 -10.373 2.123 4.906 1.00 71.02 H new ATOM 0 HD1 HIS A 82 -10.435 2.291 7.406 1.00 64.21 H new ATOM 0 HD2 HIS A 82 -6.933 0.473 5.995 1.00 20.34 H new ATOM 0 HE1 HIS A 82 -9.180 1.461 9.455 1.00 24.33 H new ATOM 1370 N CYS A 83 -8.930 -1.611 4.376 1.00 51.35 N ATOM 1371 CA CYS A 83 -9.386 -2.910 4.855 1.00 24.25 C ATOM 1372 C CYS A 83 -8.595 -3.344 6.087 1.00 72.25 C ATOM 1373 O CYS A 83 -7.441 -2.954 6.265 1.00 23.22 O ATOM 1374 CB CYS A 83 -9.248 -3.961 3.752 1.00 21.41 C ATOM 1375 SG CYS A 83 -10.315 -3.664 2.305 1.00 73.21 S ATOM 0 H CYS A 83 -7.958 -1.593 4.067 1.00 51.35 H new ATOM 0 HA CYS A 83 -10.436 -2.819 5.132 1.00 24.25 H new ATOM 0 HB2 CYS A 83 -8.209 -3.993 3.424 1.00 21.41 H new ATOM 0 HB3 CYS A 83 -9.482 -4.941 4.167 1.00 21.41 H new ATOM 1380 N ASP A 84 -9.224 -4.151 6.932 1.00 34.02 N ATOM 1381 CA ASP A 84 -8.581 -4.640 8.146 1.00 1.41 C ATOM 1382 C ASP A 84 -8.906 -6.112 8.380 1.00 41.44 C ATOM 1383 O ASP A 84 -9.990 -6.582 8.031 1.00 13.21 O ATOM 1384 CB ASP A 84 -9.022 -3.809 9.353 1.00 35.33 C ATOM 1385 CG ASP A 84 -8.666 -4.468 10.671 1.00 43.53 C ATOM 1386 OD1 ASP A 84 -9.469 -5.289 11.161 1.00 61.42 O ATOM 1387 OD2 ASP A 84 -7.583 -4.162 11.211 1.00 11.43 O ATOM 0 H ASP A 84 -10.180 -4.481 6.799 1.00 34.02 H new ATOM 0 HA ASP A 84 -7.503 -4.541 8.021 1.00 1.41 H new ATOM 0 HB2 ASP A 84 -8.554 -2.826 9.304 1.00 35.33 H new ATOM 0 HB3 ASP A 84 -10.100 -3.652 9.308 1.00 35.33 H new ATOM 1392 N LEU A 85 -7.961 -6.834 8.970 1.00 11.32 N ATOM 1393 CA LEU A 85 -8.146 -8.254 9.250 1.00 11.31 C ATOM 1394 C LEU A 85 -9.254 -8.468 10.275 1.00 54.31 C ATOM 1395 O LEU A 85 -9.023 -8.383 11.482 1.00 41.32 O ATOM 1396 CB LEU A 85 -6.840 -8.868 9.758 1.00 12.01 C ATOM 1397 CG LEU A 85 -6.763 -10.395 9.735 1.00 1.25 C ATOM 1398 CD1 LEU A 85 -6.853 -10.913 8.308 1.00 13.01 C ATOM 1399 CD2 LEU A 85 -5.480 -10.874 10.399 1.00 44.04 C ATOM 0 H LEU A 85 -7.059 -6.460 9.264 1.00 11.32 H new ATOM 0 HA LEU A 85 -8.436 -8.747 8.322 1.00 11.31 H new ATOM 0 HB2 LEU A 85 -6.019 -8.474 9.159 1.00 12.01 H new ATOM 0 HB3 LEU A 85 -6.678 -8.531 10.782 1.00 12.01 H new ATOM 0 HG LEU A 85 -7.609 -10.791 10.297 1.00 1.25 H new ATOM 0 HD11 LEU A 85 -6.796 -12.002 8.312 1.00 13.01 H new ATOM 0 HD12 LEU A 85 -7.799 -10.600 7.866 1.00 13.01 H new ATOM 0 HD13 LEU A 85 -6.028 -10.509 7.722 1.00 13.01 H new ATOM 0 HD21 LEU A 85 -5.442 -11.963 10.374 1.00 44.04 H new ATOM 0 HD22 LEU A 85 -4.621 -10.468 9.865 1.00 44.04 H new ATOM 0 HD23 LEU A 85 -5.457 -10.534 11.434 1.00 44.04 H new ATOM 1411 N ILE A 86 -10.458 -8.746 9.787 1.00 12.02 N ATOM 1412 CA ILE A 86 -11.602 -8.975 10.662 1.00 74.21 C ATOM 1413 C ILE A 86 -11.480 -10.309 11.389 1.00 3.20 C ATOM 1414 O ILE A 86 -12.361 -10.691 12.158 1.00 23.12 O ATOM 1415 CB ILE A 86 -12.926 -8.951 9.875 1.00 34.11 C ATOM 1416 CG1 ILE A 86 -13.138 -7.579 9.231 1.00 63.24 C ATOM 1417 CG2 ILE A 86 -14.092 -9.298 10.788 1.00 4.52 C ATOM 1418 CD1 ILE A 86 -13.582 -6.515 10.209 1.00 41.55 C ATOM 0 H ILE A 86 -10.667 -8.818 8.791 1.00 12.02 H new ATOM 0 HA ILE A 86 -11.608 -8.166 11.392 1.00 74.21 H new ATOM 0 HB ILE A 86 -12.874 -9.699 9.084 1.00 34.11 H new ATOM 0 HG12 ILE A 86 -12.209 -7.261 8.758 1.00 63.24 H new ATOM 0 HG13 ILE A 86 -13.884 -7.669 8.441 1.00 63.24 H new ATOM 0 HG21 ILE A 86 -15.020 -9.277 10.217 1.00 4.52 H new ATOM 0 HG22 ILE A 86 -13.944 -10.295 11.204 1.00 4.52 H new ATOM 0 HG23 ILE A 86 -14.148 -8.571 11.599 1.00 4.52 H new ATOM 0 HD11 ILE A 86 -13.713 -5.569 9.683 1.00 41.55 H new ATOM 0 HD12 ILE A 86 -14.527 -6.811 10.664 1.00 41.55 H new ATOM 0 HD13 ILE A 86 -12.827 -6.397 10.986 1.00 41.55 H new ATOM 1430 N ASN A 87 -10.381 -11.014 11.141 1.00 44.12 N ATOM 1431 CA ASN A 87 -10.141 -12.306 11.772 1.00 34.13 C ATOM 1432 C ASN A 87 -8.911 -12.253 12.672 1.00 43.54 C ATOM 1433 O ASN A 87 -7.817 -12.677 12.295 1.00 52.43 O ATOM 1434 CB ASN A 87 -9.965 -13.392 10.710 1.00 44.11 C ATOM 1435 CG ASN A 87 -8.909 -13.029 9.683 1.00 30.54 C ATOM 1436 OD1 ASN A 87 -7.716 -13.241 9.901 1.00 65.53 O ATOM 1437 ND2 ASN A 87 -9.346 -12.478 8.556 1.00 43.41 N ATOM 0 H ASN A 87 -9.642 -10.711 10.507 1.00 44.12 H new ATOM 0 HA ASN A 87 -11.008 -12.547 12.387 1.00 34.13 H new ATOM 0 HB2 ASN A 87 -9.690 -14.329 11.194 1.00 44.11 H new ATOM 0 HB3 ASN A 87 -10.916 -13.561 10.205 1.00 44.11 H new ATOM 0 HD21 ASN A 87 -8.683 -12.212 7.828 1.00 43.41 H new ATOM 0 HD22 ASN A 87 -10.344 -12.321 8.419 1.00 43.41 H new ATOM 1444 N PRO A 88 -9.090 -11.720 13.890 1.00 63.12 N ATOM 1445 CA PRO A 88 -8.005 -11.599 14.869 1.00 64.43 C ATOM 1446 C PRO A 88 -7.566 -12.953 15.417 1.00 1.32 C ATOM 1447 O PRO A 88 -8.318 -13.620 16.127 1.00 14.53 O ATOM 1448 CB PRO A 88 -8.623 -10.746 15.979 1.00 22.15 C ATOM 1449 CG PRO A 88 -10.089 -10.985 15.868 1.00 14.33 C ATOM 1450 CD PRO A 88 -10.365 -11.196 14.405 1.00 11.51 C ATOM 0 HA PRO A 88 -7.106 -11.165 14.431 1.00 64.43 H new ATOM 0 HB2 PRO A 88 -8.247 -11.039 16.959 1.00 22.15 H new ATOM 0 HB3 PRO A 88 -8.383 -9.691 15.848 1.00 22.15 H new ATOM 0 HG2 PRO A 88 -10.387 -11.856 16.451 1.00 14.33 H new ATOM 0 HG3 PRO A 88 -10.653 -10.135 16.253 1.00 14.33 H new ATOM 0 HD2 PRO A 88 -11.182 -11.900 14.248 1.00 11.51 H new ATOM 0 HD3 PRO A 88 -10.646 -10.266 13.911 1.00 11.51 H new ATOM 1458 N GLY A 89 -6.344 -13.353 15.083 1.00 4.22 N ATOM 1459 CA GLY A 89 -5.826 -14.626 15.552 1.00 3.22 C ATOM 1460 C GLY A 89 -5.861 -15.697 14.480 1.00 51.53 C ATOM 1461 O GLY A 89 -5.271 -16.765 14.641 1.00 54.02 O ATOM 0 H GLY A 89 -5.703 -12.819 14.496 1.00 4.22 H new ATOM 0 HA2 GLY A 89 -4.800 -14.493 15.895 1.00 3.22 H new ATOM 0 HA3 GLY A 89 -6.409 -14.957 16.411 1.00 3.22 H new ATOM 1465 N ALA A 90 -6.555 -15.410 13.383 1.00 61.32 N ATOM 1466 CA ALA A 90 -6.664 -16.357 12.279 1.00 2.44 C ATOM 1467 C ALA A 90 -5.499 -16.205 11.308 1.00 70.01 C ATOM 1468 O ALA A 90 -5.240 -15.113 10.803 1.00 62.24 O ATOM 1469 CB ALA A 90 -7.988 -16.170 11.553 1.00 61.12 C ATOM 0 H ALA A 90 -7.050 -14.530 13.235 1.00 61.32 H new ATOM 0 HA ALA A 90 -6.628 -17.365 12.692 1.00 2.44 H new ATOM 0 HB1 ALA A 90 -8.056 -16.883 10.731 1.00 61.12 H new ATOM 0 HB2 ALA A 90 -8.811 -16.337 12.248 1.00 61.12 H new ATOM 0 HB3 ALA A 90 -8.047 -15.155 11.159 1.00 61.12 H new ATOM 1475 N GLN A 91 -4.799 -17.306 11.053 1.00 44.32 N ATOM 1476 CA GLN A 91 -3.660 -17.293 10.143 1.00 42.33 C ATOM 1477 C GLN A 91 -3.899 -18.224 8.960 1.00 65.45 C ATOM 1478 O GLN A 91 -3.155 -19.183 8.752 1.00 51.04 O ATOM 1479 CB GLN A 91 -2.385 -17.703 10.882 1.00 42.04 C ATOM 1480 CG GLN A 91 -1.752 -16.572 11.677 1.00 52.45 C ATOM 1481 CD GLN A 91 -0.919 -17.071 12.840 1.00 64.22 C ATOM 1482 OE1 GLN A 91 -0.006 -17.880 12.663 1.00 52.42 O ATOM 1483 NE2 GLN A 91 -1.227 -16.592 14.038 1.00 14.24 N ATOM 0 H GLN A 91 -5.001 -18.218 11.464 1.00 44.32 H new ATOM 0 HA GLN A 91 -3.540 -16.278 9.764 1.00 42.33 H new ATOM 0 HB2 GLN A 91 -2.616 -18.526 11.558 1.00 42.04 H new ATOM 0 HB3 GLN A 91 -1.660 -18.078 10.159 1.00 42.04 H new ATOM 0 HG2 GLN A 91 -1.124 -15.975 11.015 1.00 52.45 H new ATOM 0 HG3 GLN A 91 -2.536 -15.914 12.052 1.00 52.45 H new ATOM 0 HE21 GLN A 91 -1.991 -15.924 14.139 1.00 14.24 H new ATOM 0 HE22 GLN A 91 -0.700 -16.892 14.858 1.00 14.24 H new ATOM 1492 N ASN A 92 -4.940 -17.937 8.187 1.00 53.03 N ATOM 1493 CA ASN A 92 -5.277 -18.751 7.024 1.00 74.31 C ATOM 1494 C ASN A 92 -5.788 -17.879 5.880 1.00 23.31 C ATOM 1495 O ASN A 92 -6.917 -17.390 5.915 1.00 63.21 O ATOM 1496 CB ASN A 92 -6.332 -19.795 7.394 1.00 10.15 C ATOM 1497 CG ASN A 92 -7.353 -19.261 8.381 1.00 54.50 C ATOM 1498 OD1 ASN A 92 -8.186 -18.423 8.036 1.00 32.44 O ATOM 1499 ND2 ASN A 92 -7.290 -19.744 9.617 1.00 70.21 N ATOM 0 H ASN A 92 -5.566 -17.147 8.344 1.00 53.03 H new ATOM 0 HA ASN A 92 -4.372 -19.261 6.694 1.00 74.31 H new ATOM 0 HB2 ASN A 92 -6.843 -20.127 6.490 1.00 10.15 H new ATOM 0 HB3 ASN A 92 -5.840 -20.669 7.821 1.00 10.15 H new ATOM 0 HD21 ASN A 92 -7.949 -19.421 10.325 1.00 70.21 H new ATOM 0 HD22 ASN A 92 -6.582 -20.438 9.858 1.00 70.21 H new ATOM 1506 N ILE A 93 -4.948 -17.691 4.867 1.00 71.30 N ATOM 1507 CA ILE A 93 -5.315 -16.881 3.712 1.00 44.42 C ATOM 1508 C ILE A 93 -6.528 -17.464 2.994 1.00 5.55 C ATOM 1509 O ILE A 93 -7.100 -16.831 2.108 1.00 15.12 O ATOM 1510 CB ILE A 93 -4.149 -16.765 2.713 1.00 3.41 C ATOM 1511 CG1 ILE A 93 -3.491 -18.129 2.501 1.00 21.33 C ATOM 1512 CG2 ILE A 93 -3.128 -15.750 3.206 1.00 2.55 C ATOM 1513 CD1 ILE A 93 -2.550 -18.170 1.319 1.00 43.50 C ATOM 0 H ILE A 93 -4.010 -18.088 4.823 1.00 71.30 H new ATOM 0 HA ILE A 93 -5.561 -15.888 4.089 1.00 44.42 H new ATOM 0 HB ILE A 93 -4.543 -16.421 1.757 1.00 3.41 H new ATOM 0 HG12 ILE A 93 -2.941 -18.402 3.402 1.00 21.33 H new ATOM 0 HG13 ILE A 93 -4.268 -18.880 2.362 1.00 21.33 H new ATOM 0 HG21 ILE A 93 -2.310 -15.679 2.489 1.00 2.55 H new ATOM 0 HG22 ILE A 93 -3.605 -14.775 3.310 1.00 2.55 H new ATOM 0 HG23 ILE A 93 -2.737 -16.067 4.173 1.00 2.55 H new ATOM 0 HD11 ILE A 93 -2.121 -19.168 1.230 1.00 43.50 H new ATOM 0 HD12 ILE A 93 -3.099 -17.929 0.409 1.00 43.50 H new ATOM 0 HD13 ILE A 93 -1.751 -17.443 1.465 1.00 43.50 H new ATOM 1525 N SER A 94 -6.915 -18.674 3.385 1.00 42.54 N ATOM 1526 CA SER A 94 -8.059 -19.343 2.778 1.00 24.25 C ATOM 1527 C SER A 94 -9.361 -18.903 3.440 1.00 2.32 C ATOM 1528 O SER A 94 -10.399 -18.803 2.788 1.00 45.33 O ATOM 1529 CB SER A 94 -7.906 -20.862 2.889 1.00 40.00 C ATOM 1530 OG SER A 94 -7.032 -21.361 1.891 1.00 45.25 O ATOM 0 H SER A 94 -6.453 -19.211 4.119 1.00 42.54 H new ATOM 0 HA SER A 94 -8.095 -19.064 1.725 1.00 24.25 H new ATOM 0 HB2 SER A 94 -7.522 -21.121 3.876 1.00 40.00 H new ATOM 0 HB3 SER A 94 -8.882 -21.337 2.792 1.00 40.00 H new ATOM 0 HG SER A 94 -6.950 -22.333 1.984 1.00 45.25 H new ATOM 1536 N ASN A 95 -9.296 -18.640 4.741 1.00 51.31 N ATOM 1537 CA ASN A 95 -10.469 -18.209 5.493 1.00 21.43 C ATOM 1538 C ASN A 95 -10.214 -16.871 6.180 1.00 20.22 C ATOM 1539 O ASN A 95 -10.869 -16.532 7.166 1.00 72.51 O ATOM 1540 CB ASN A 95 -10.849 -19.266 6.534 1.00 43.54 C ATOM 1541 CG ASN A 95 -12.332 -19.262 6.846 1.00 75.42 C ATOM 1542 OD1 ASN A 95 -12.785 -18.571 7.759 1.00 20.20 O ATOM 1543 ND2 ASN A 95 -13.098 -20.038 6.087 1.00 64.24 N ATOM 0 H ASN A 95 -8.444 -18.718 5.296 1.00 51.31 H new ATOM 0 HA ASN A 95 -11.294 -18.085 4.792 1.00 21.43 H new ATOM 0 HB2 ASN A 95 -10.560 -20.252 6.169 1.00 43.54 H new ATOM 0 HB3 ASN A 95 -10.287 -19.088 7.451 1.00 43.54 H new ATOM 0 HD21 ASN A 95 -14.104 -20.078 6.250 1.00 64.24 H new ATOM 0 HD22 ASN A 95 -12.680 -20.594 5.341 1.00 64.24 H new ATOM 1550 N CYS A 96 -9.258 -16.114 5.651 1.00 15.34 N ATOM 1551 CA CYS A 96 -8.917 -14.812 6.212 1.00 43.02 C ATOM 1552 C CYS A 96 -9.816 -13.721 5.640 1.00 13.32 C ATOM 1553 O CYS A 96 -9.647 -13.298 4.497 1.00 4.52 O ATOM 1554 CB CYS A 96 -7.451 -14.480 5.928 1.00 25.22 C ATOM 1555 SG CYS A 96 -6.314 -14.907 7.287 1.00 32.32 S ATOM 0 H CYS A 96 -8.706 -16.380 4.835 1.00 15.34 H new ATOM 0 HA CYS A 96 -9.071 -14.857 7.290 1.00 43.02 H new ATOM 0 HB2 CYS A 96 -7.138 -15.008 5.027 1.00 25.22 H new ATOM 0 HB3 CYS A 96 -7.365 -13.414 5.718 1.00 25.22 H new ATOM 1560 N ARG A 97 -10.774 -13.269 6.444 1.00 50.41 N ATOM 1561 CA ARG A 97 -11.701 -12.227 6.019 1.00 1.01 C ATOM 1562 C ARG A 97 -11.112 -10.841 6.267 1.00 12.12 C ATOM 1563 O ARG A 97 -10.308 -10.652 7.180 1.00 52.11 O ATOM 1564 CB ARG A 97 -13.033 -12.368 6.757 1.00 14.33 C ATOM 1565 CG ARG A 97 -13.952 -13.420 6.160 1.00 73.51 C ATOM 1566 CD ARG A 97 -14.864 -12.825 5.098 1.00 65.02 C ATOM 1567 NE ARG A 97 -15.872 -13.781 4.644 1.00 3.41 N ATOM 1568 CZ ARG A 97 -17.017 -13.998 5.280 1.00 32.21 C ATOM 1569 NH1 ARG A 97 -17.300 -13.332 6.391 1.00 24.14 N ATOM 1570 NH2 ARG A 97 -17.884 -14.883 4.804 1.00 24.41 N ATOM 0 H ARG A 97 -10.928 -13.609 7.393 1.00 50.41 H new ATOM 0 HA ARG A 97 -11.873 -12.343 4.949 1.00 1.01 H new ATOM 0 HB2 ARG A 97 -12.836 -12.619 7.799 1.00 14.33 H new ATOM 0 HB3 ARG A 97 -13.545 -11.406 6.752 1.00 14.33 H new ATOM 0 HG2 ARG A 97 -13.355 -14.220 5.722 1.00 73.51 H new ATOM 0 HG3 ARG A 97 -14.555 -13.868 6.950 1.00 73.51 H new ATOM 0 HD2 ARG A 97 -15.358 -11.940 5.499 1.00 65.02 H new ATOM 0 HD3 ARG A 97 -14.265 -12.498 4.248 1.00 65.02 H new ATOM 0 HE ARG A 97 -15.686 -14.310 3.792 1.00 3.41 H new ATOM 0 HH11 ARG A 97 -16.637 -12.650 6.760 1.00 24.14 H new ATOM 0 HH12 ARG A 97 -18.181 -13.501 6.877 1.00 24.14 H new ATOM 0 HH21 ARG A 97 -17.671 -15.397 3.949 1.00 24.41 H new ATOM 0 HH22 ARG A 97 -18.764 -15.049 5.293 1.00 24.41 H new ATOM 1584 N TYR A 98 -11.519 -9.877 5.450 1.00 51.24 N ATOM 1585 CA TYR A 98 -11.031 -8.509 5.578 1.00 11.35 C ATOM 1586 C TYR A 98 -12.177 -7.508 5.467 1.00 32.21 C ATOM 1587 O TYR A 98 -13.099 -7.689 4.672 1.00 62.52 O ATOM 1588 CB TYR A 98 -9.979 -8.218 4.507 1.00 43.13 C ATOM 1589 CG TYR A 98 -8.611 -8.775 4.834 1.00 74.55 C ATOM 1590 CD1 TYR A 98 -8.336 -10.128 4.679 1.00 42.22 C ATOM 1591 CD2 TYR A 98 -7.595 -7.948 5.297 1.00 71.21 C ATOM 1592 CE1 TYR A 98 -7.088 -10.642 4.977 1.00 73.15 C ATOM 1593 CE2 TYR A 98 -6.345 -8.453 5.596 1.00 24.21 C ATOM 1594 CZ TYR A 98 -6.096 -9.800 5.435 1.00 63.32 C ATOM 1595 OH TYR A 98 -4.852 -10.308 5.732 1.00 53.15 O ATOM 0 H TYR A 98 -12.186 -10.017 4.691 1.00 51.24 H new ATOM 0 HA TYR A 98 -10.576 -8.404 6.563 1.00 11.35 H new ATOM 0 HB2 TYR A 98 -10.314 -8.635 3.557 1.00 43.13 H new ATOM 0 HB3 TYR A 98 -9.900 -7.139 4.371 1.00 43.13 H new ATOM 0 HD1 TYR A 98 -9.110 -10.789 4.320 1.00 42.22 H new ATOM 0 HD2 TYR A 98 -7.786 -6.893 5.425 1.00 71.21 H new ATOM 0 HE1 TYR A 98 -6.891 -11.696 4.852 1.00 73.15 H new ATOM 0 HE2 TYR A 98 -5.566 -7.796 5.954 1.00 24.21 H new ATOM 0 HH TYR A 98 -4.617 -10.079 6.655 1.00 53.15 H new ATOM 1605 N ALA A 99 -12.112 -6.452 6.269 1.00 4.53 N ATOM 1606 CA ALA A 99 -13.141 -5.419 6.260 1.00 32.55 C ATOM 1607 C ALA A 99 -12.948 -4.461 5.090 1.00 61.21 C ATOM 1608 O ALA A 99 -11.856 -4.365 4.528 1.00 11.44 O ATOM 1609 CB ALA A 99 -13.135 -4.656 7.576 1.00 13.12 C ATOM 0 H ALA A 99 -11.357 -6.288 6.935 1.00 4.53 H new ATOM 0 HA ALA A 99 -14.108 -5.907 6.140 1.00 32.55 H new ATOM 0 HB1 ALA A 99 -13.908 -3.888 7.555 1.00 13.12 H new ATOM 0 HB2 ALA A 99 -13.331 -5.345 8.397 1.00 13.12 H new ATOM 0 HB3 ALA A 99 -12.162 -4.187 7.720 1.00 13.12 H new ATOM 1615 N ASP A 100 -14.014 -3.757 4.725 1.00 4.34 N ATOM 1616 CA ASP A 100 -13.961 -2.805 3.622 1.00 4.03 C ATOM 1617 C ASP A 100 -14.515 -1.449 4.045 1.00 11.33 C ATOM 1618 O ASP A 100 -15.597 -1.364 4.628 1.00 4.15 O ATOM 1619 CB ASP A 100 -14.745 -3.340 2.423 1.00 40.34 C ATOM 1620 CG ASP A 100 -16.200 -2.911 2.446 1.00 63.45 C ATOM 1621 OD1 ASP A 100 -16.970 -3.469 3.257 1.00 45.55 O ATOM 1622 OD2 ASP A 100 -16.568 -2.019 1.654 1.00 63.33 O ATOM 0 H ASP A 100 -14.926 -3.828 5.177 1.00 4.34 H new ATOM 0 HA ASP A 100 -12.917 -2.675 3.336 1.00 4.03 H new ATOM 0 HB2 ASP A 100 -14.280 -2.989 1.502 1.00 40.34 H new ATOM 0 HB3 ASP A 100 -14.690 -4.429 2.413 1.00 40.34 H new ATOM 1627 N ARG A 101 -13.767 -0.391 3.751 1.00 74.35 N ATOM 1628 CA ARG A 101 -14.184 0.961 4.102 1.00 12.45 C ATOM 1629 C ARG A 101 -13.641 1.976 3.101 1.00 23.23 C ATOM 1630 O ARG A 101 -12.457 2.314 3.103 1.00 45.40 O ATOM 1631 CB ARG A 101 -13.706 1.313 5.512 1.00 3.51 C ATOM 1632 CG ARG A 101 -14.442 2.492 6.129 1.00 45.22 C ATOM 1633 CD ARG A 101 -13.576 3.219 7.146 1.00 31.01 C ATOM 1634 NE ARG A 101 -14.369 4.065 8.034 1.00 15.21 N ATOM 1635 CZ ARG A 101 -13.878 5.118 8.679 1.00 25.22 C ATOM 1636 NH1 ARG A 101 -12.602 5.451 8.535 1.00 13.12 N ATOM 1637 NH2 ARG A 101 -14.663 5.839 9.469 1.00 22.31 N ATOM 0 H ARG A 101 -12.869 -0.444 3.270 1.00 74.35 H new ATOM 0 HA ARG A 101 -15.273 0.998 4.074 1.00 12.45 H new ATOM 0 HB2 ARG A 101 -13.828 0.442 6.156 1.00 3.51 H new ATOM 0 HB3 ARG A 101 -12.640 1.538 5.479 1.00 3.51 H new ATOM 0 HG2 ARG A 101 -14.743 3.186 5.344 1.00 45.22 H new ATOM 0 HG3 ARG A 101 -15.354 2.141 6.611 1.00 45.22 H new ATOM 0 HD2 ARG A 101 -13.023 2.490 7.738 1.00 31.01 H new ATOM 0 HD3 ARG A 101 -12.840 3.831 6.624 1.00 31.01 H new ATOM 0 HE ARG A 101 -15.354 3.835 8.166 1.00 15.21 H new ATOM 0 HH11 ARG A 101 -11.996 4.898 7.928 1.00 13.12 H new ATOM 0 HH12 ARG A 101 -12.227 6.260 9.031 1.00 13.12 H new ATOM 0 HH21 ARG A 101 -15.644 5.585 9.582 1.00 22.31 H new ATOM 0 HH22 ARG A 101 -14.285 6.647 9.964 1.00 22.31 H new ATOM 1651 N PRO A 102 -14.525 2.473 2.224 1.00 10.41 N ATOM 1652 CA PRO A 102 -14.157 3.457 1.201 1.00 0.22 C ATOM 1653 C PRO A 102 -13.833 4.822 1.798 1.00 11.10 C ATOM 1654 O PRO A 102 -14.239 5.133 2.916 1.00 15.14 O ATOM 1655 CB PRO A 102 -15.409 3.540 0.323 1.00 11.43 C ATOM 1656 CG PRO A 102 -16.528 3.134 1.219 1.00 1.51 C ATOM 1657 CD PRO A 102 -15.952 2.116 2.165 1.00 72.33 C ATOM 0 HA PRO A 102 -13.258 3.164 0.659 1.00 0.22 H new ATOM 0 HB2 PRO A 102 -15.556 4.549 -0.062 1.00 11.43 H new ATOM 0 HB3 PRO A 102 -15.332 2.878 -0.539 1.00 11.43 H new ATOM 0 HG2 PRO A 102 -16.924 3.992 1.763 1.00 1.51 H new ATOM 0 HG3 PRO A 102 -17.353 2.711 0.646 1.00 1.51 H new ATOM 0 HD2 PRO A 102 -16.421 2.170 3.148 1.00 72.33 H new ATOM 0 HD3 PRO A 102 -16.097 1.100 1.799 1.00 72.33 H new ATOM 1665 N GLY A 103 -13.098 5.633 1.044 1.00 51.43 N ATOM 1666 CA GLY A 103 -12.733 6.957 1.516 1.00 71.44 C ATOM 1667 C GLY A 103 -11.813 7.681 0.554 1.00 42.41 C ATOM 1668 O GLY A 103 -11.063 7.052 -0.192 1.00 63.21 O ATOM 0 H GLY A 103 -12.749 5.398 0.115 1.00 51.43 H new ATOM 0 HA2 GLY A 103 -13.636 7.548 1.665 1.00 71.44 H new ATOM 0 HA3 GLY A 103 -12.245 6.872 2.487 1.00 71.44 H new ATOM 1672 N ARG A 104 -11.870 9.009 0.570 1.00 41.02 N ATOM 1673 CA ARG A 104 -11.038 9.821 -0.310 1.00 72.31 C ATOM 1674 C ARG A 104 -10.156 10.768 0.497 1.00 55.13 C ATOM 1675 O ARG A 104 -10.642 11.737 1.081 1.00 41.25 O ATOM 1676 CB ARG A 104 -11.911 10.620 -1.279 1.00 70.30 C ATOM 1677 CG ARG A 104 -12.200 9.892 -2.582 1.00 24.54 C ATOM 1678 CD ARG A 104 -13.280 10.597 -3.388 1.00 1.45 C ATOM 1679 NE ARG A 104 -13.226 10.244 -4.803 1.00 45.01 N ATOM 1680 CZ ARG A 104 -14.208 10.494 -5.661 1.00 62.34 C ATOM 1681 NH1 ARG A 104 -15.314 11.098 -5.249 1.00 34.40 N ATOM 1682 NH2 ARG A 104 -14.084 10.142 -6.934 1.00 51.21 N ATOM 0 H ARG A 104 -12.484 9.545 1.183 1.00 41.02 H new ATOM 0 HA ARG A 104 -10.395 9.151 -0.880 1.00 72.31 H new ATOM 0 HB2 ARG A 104 -12.855 10.860 -0.790 1.00 70.30 H new ATOM 0 HB3 ARG A 104 -11.418 11.566 -1.503 1.00 70.30 H new ATOM 0 HG2 ARG A 104 -11.287 9.827 -3.174 1.00 24.54 H new ATOM 0 HG3 ARG A 104 -12.514 8.870 -2.367 1.00 24.54 H new ATOM 0 HD2 ARG A 104 -14.259 10.337 -2.987 1.00 1.45 H new ATOM 0 HD3 ARG A 104 -13.167 11.676 -3.279 1.00 1.45 H new ATOM 0 HE ARG A 104 -12.388 9.780 -5.152 1.00 45.01 H new ATOM 0 HH11 ARG A 104 -15.412 11.372 -4.271 1.00 34.40 H new ATOM 0 HH12 ARG A 104 -16.067 11.289 -5.910 1.00 34.40 H new ATOM 0 HH21 ARG A 104 -13.234 9.679 -7.255 1.00 51.21 H new ATOM 0 HH22 ARG A 104 -14.839 10.335 -7.592 1.00 51.21 H new ATOM 1696 N ARG A 105 -8.858 10.481 0.526 1.00 32.33 N ATOM 1697 CA ARG A 105 -7.910 11.306 1.264 1.00 53.34 C ATOM 1698 C ARG A 105 -6.477 10.998 0.839 1.00 54.11 C ATOM 1699 O ARG A 105 -6.245 10.189 -0.059 1.00 44.12 O ATOM 1700 CB ARG A 105 -8.067 11.082 2.769 1.00 62.31 C ATOM 1701 CG ARG A 105 -9.148 11.942 3.403 1.00 40.31 C ATOM 1702 CD ARG A 105 -8.957 12.057 4.907 1.00 53.40 C ATOM 1703 NE ARG A 105 -9.501 13.307 5.433 1.00 22.44 N ATOM 1704 CZ ARG A 105 -9.639 13.559 6.730 1.00 25.51 C ATOM 1705 NH1 ARG A 105 -9.275 12.653 7.628 1.00 62.03 N ATOM 1706 NH2 ARG A 105 -10.143 14.719 7.131 1.00 25.24 N ATOM 0 H ARG A 105 -8.440 9.684 0.047 1.00 32.33 H new ATOM 0 HA ARG A 105 -8.122 12.351 1.037 1.00 53.34 H new ATOM 0 HB2 ARG A 105 -8.297 10.032 2.949 1.00 62.31 H new ATOM 0 HB3 ARG A 105 -7.116 11.288 3.260 1.00 62.31 H new ATOM 0 HG2 ARG A 105 -9.133 12.936 2.956 1.00 40.31 H new ATOM 0 HG3 ARG A 105 -10.127 11.512 3.191 1.00 40.31 H new ATOM 0 HD2 ARG A 105 -9.442 11.214 5.400 1.00 53.40 H new ATOM 0 HD3 ARG A 105 -7.895 11.996 5.143 1.00 53.40 H new ATOM 0 HE ARG A 105 -9.790 14.025 4.769 1.00 22.44 H new ATOM 0 HH11 ARG A 105 -8.888 11.760 7.323 1.00 62.03 H new ATOM 0 HH12 ARG A 105 -9.382 12.850 8.623 1.00 62.03 H new ATOM 0 HH21 ARG A 105 -10.425 15.418 6.443 1.00 25.24 H new ATOM 0 HH22 ARG A 105 -10.249 14.912 8.127 1.00 25.24 H new ATOM 1720 N PHE A 106 -5.519 11.648 1.492 1.00 51.11 N ATOM 1721 CA PHE A 106 -4.109 11.445 1.181 1.00 12.15 C ATOM 1722 C PHE A 106 -3.656 10.049 1.599 1.00 20.42 C ATOM 1723 O PHE A 106 -4.462 9.229 2.039 1.00 30.21 O ATOM 1724 CB PHE A 106 -3.253 12.501 1.884 1.00 50.34 C ATOM 1725 CG PHE A 106 -3.933 13.834 2.016 1.00 73.53 C ATOM 1726 CD1 PHE A 106 -4.288 14.560 0.890 1.00 70.52 C ATOM 1727 CD2 PHE A 106 -4.219 14.360 3.265 1.00 41.32 C ATOM 1728 CE1 PHE A 106 -4.916 15.785 1.007 1.00 0.41 C ATOM 1729 CE2 PHE A 106 -4.846 15.586 3.389 1.00 23.32 C ATOM 1730 CZ PHE A 106 -5.194 16.300 2.259 1.00 4.31 C ATOM 0 H PHE A 106 -5.694 12.320 2.240 1.00 51.11 H new ATOM 0 HA PHE A 106 -3.983 11.542 0.103 1.00 12.15 H new ATOM 0 HB2 PHE A 106 -2.986 12.139 2.877 1.00 50.34 H new ATOM 0 HB3 PHE A 106 -2.323 12.630 1.331 1.00 50.34 H new ATOM 0 HD1 PHE A 106 -4.071 14.163 -0.091 1.00 70.52 H new ATOM 0 HD2 PHE A 106 -3.949 13.806 4.152 1.00 41.32 H new ATOM 0 HE1 PHE A 106 -5.189 16.339 0.121 1.00 0.41 H new ATOM 0 HE2 PHE A 106 -5.064 15.985 4.369 1.00 23.32 H new ATOM 0 HZ PHE A 106 -5.682 17.259 2.354 1.00 4.31 H new ATOM 1740 N TYR A 107 -2.362 9.786 1.456 1.00 33.53 N ATOM 1741 CA TYR A 107 -1.801 8.488 1.814 1.00 32.44 C ATOM 1742 C TYR A 107 -0.320 8.610 2.155 1.00 44.31 C ATOM 1743 O TYR A 107 0.440 9.267 1.444 1.00 44.43 O ATOM 1744 CB TYR A 107 -1.993 7.492 0.670 1.00 53.25 C ATOM 1745 CG TYR A 107 -1.579 8.034 -0.680 1.00 15.42 C ATOM 1746 CD1 TYR A 107 -0.237 8.186 -1.008 1.00 33.05 C ATOM 1747 CD2 TYR A 107 -2.529 8.396 -1.627 1.00 11.22 C ATOM 1748 CE1 TYR A 107 0.145 8.682 -2.239 1.00 3.21 C ATOM 1749 CE2 TYR A 107 -2.156 8.892 -2.861 1.00 62.44 C ATOM 1750 CZ TYR A 107 -0.817 9.033 -3.163 1.00 24.24 C ATOM 1751 OH TYR A 107 -0.441 9.527 -4.390 1.00 65.33 O ATOM 0 H TYR A 107 -1.681 10.454 1.095 1.00 33.53 H new ATOM 0 HA TYR A 107 -2.329 8.124 2.695 1.00 32.44 H new ATOM 0 HB2 TYR A 107 -1.417 6.591 0.883 1.00 53.25 H new ATOM 0 HB3 TYR A 107 -3.042 7.197 0.628 1.00 53.25 H new ATOM 0 HD1 TYR A 107 0.520 7.912 -0.288 1.00 33.05 H new ATOM 0 HD2 TYR A 107 -3.578 8.288 -1.394 1.00 11.22 H new ATOM 0 HE1 TYR A 107 1.192 8.795 -2.477 1.00 3.21 H new ATOM 0 HE2 TYR A 107 -2.908 9.168 -3.585 1.00 62.44 H new ATOM 0 HH TYR A 107 -1.240 9.724 -4.922 1.00 65.33 H new ATOM 1761 N VAL A 108 0.084 7.972 3.248 1.00 21.23 N ATOM 1762 CA VAL A 108 1.476 8.006 3.684 1.00 33.34 C ATOM 1763 C VAL A 108 2.219 6.749 3.248 1.00 24.22 C ATOM 1764 O VAL A 108 2.046 5.678 3.832 1.00 42.24 O ATOM 1765 CB VAL A 108 1.581 8.147 5.214 1.00 14.42 C ATOM 1766 CG1 VAL A 108 3.038 8.161 5.651 1.00 62.43 C ATOM 1767 CG2 VAL A 108 0.864 9.404 5.684 1.00 33.31 C ATOM 0 H VAL A 108 -0.533 7.425 3.849 1.00 21.23 H new ATOM 0 HA VAL A 108 1.934 8.876 3.214 1.00 33.34 H new ATOM 0 HB VAL A 108 1.097 7.286 5.674 1.00 14.42 H new ATOM 0 HG11 VAL A 108 3.092 8.261 6.735 1.00 62.43 H new ATOM 0 HG12 VAL A 108 3.518 7.230 5.348 1.00 62.43 H new ATOM 0 HG13 VAL A 108 3.550 9.002 5.183 1.00 62.43 H new ATOM 0 HG21 VAL A 108 0.948 9.487 6.768 1.00 33.31 H new ATOM 0 HG22 VAL A 108 1.317 10.278 5.216 1.00 33.31 H new ATOM 0 HG23 VAL A 108 -0.188 9.348 5.405 1.00 33.31 H new ATOM 1777 N VAL A 109 3.049 6.885 2.218 1.00 11.33 N ATOM 1778 CA VAL A 109 3.821 5.760 1.704 1.00 21.12 C ATOM 1779 C VAL A 109 5.317 5.993 1.882 1.00 55.44 C ATOM 1780 O VAL A 109 5.824 7.079 1.596 1.00 22.43 O ATOM 1781 CB VAL A 109 3.524 5.509 0.214 1.00 13.41 C ATOM 1782 CG1 VAL A 109 2.078 5.854 -0.107 1.00 41.25 C ATOM 1783 CG2 VAL A 109 4.478 6.309 -0.660 1.00 64.52 C ATOM 0 H VAL A 109 3.204 7.763 1.723 1.00 11.33 H new ATOM 0 HA VAL A 109 3.523 4.883 2.278 1.00 21.12 H new ATOM 0 HB VAL A 109 3.675 4.450 0.004 1.00 13.41 H new ATOM 0 HG11 VAL A 109 1.886 5.670 -1.164 1.00 41.25 H new ATOM 0 HG12 VAL A 109 1.414 5.234 0.495 1.00 41.25 H new ATOM 0 HG13 VAL A 109 1.896 6.905 0.118 1.00 41.25 H new ATOM 0 HG21 VAL A 109 4.255 6.120 -1.710 1.00 64.52 H new ATOM 0 HG22 VAL A 109 4.360 7.372 -0.449 1.00 64.52 H new ATOM 0 HG23 VAL A 109 5.504 6.009 -0.448 1.00 64.52 H new ATOM 1793 N ALA A 110 6.019 4.969 2.354 1.00 14.30 N ATOM 1794 CA ALA A 110 7.458 5.062 2.567 1.00 32.30 C ATOM 1795 C ALA A 110 8.222 4.790 1.276 1.00 62.44 C ATOM 1796 O ALA A 110 8.304 3.649 0.818 1.00 12.45 O ATOM 1797 CB ALA A 110 7.894 4.092 3.654 1.00 11.22 C ATOM 0 H ALA A 110 5.615 4.065 2.596 1.00 14.30 H new ATOM 0 HA ALA A 110 7.688 6.078 2.888 1.00 32.30 H new ATOM 0 HB1 ALA A 110 8.971 4.172 3.803 1.00 11.22 H new ATOM 0 HB2 ALA A 110 7.380 4.333 4.585 1.00 11.22 H new ATOM 0 HB3 ALA A 110 7.644 3.074 3.355 1.00 11.22 H new ATOM 1803 N CYS A 111 8.781 5.845 0.691 1.00 35.10 N ATOM 1804 CA CYS A 111 9.538 5.721 -0.549 1.00 13.13 C ATOM 1805 C CYS A 111 11.013 5.454 -0.262 1.00 35.33 C ATOM 1806 O CYS A 111 11.582 6.009 0.678 1.00 43.02 O ATOM 1807 CB CYS A 111 9.393 6.992 -1.389 1.00 75.43 C ATOM 1808 SG CYS A 111 7.744 7.761 -1.294 1.00 60.21 S ATOM 0 H CYS A 111 8.724 6.796 1.056 1.00 35.10 H new ATOM 0 HA CYS A 111 9.136 4.876 -1.108 1.00 13.13 H new ATOM 0 HB2 CYS A 111 10.140 7.717 -1.064 1.00 75.43 H new ATOM 0 HB3 CYS A 111 9.612 6.754 -2.430 1.00 75.43 H new ATOM 1813 N ASP A 112 11.623 4.602 -1.076 1.00 60.45 N ATOM 1814 CA ASP A 112 13.031 4.262 -0.912 1.00 4.14 C ATOM 1815 C ASP A 112 13.664 3.902 -2.252 1.00 22.03 C ATOM 1816 O ASP A 112 12.966 3.696 -3.243 1.00 43.21 O ATOM 1817 CB ASP A 112 13.186 3.097 0.068 1.00 33.23 C ATOM 1818 CG ASP A 112 14.500 3.144 0.821 1.00 61.01 C ATOM 1819 OD1 ASP A 112 15.546 2.848 0.206 1.00 51.22 O ATOM 1820 OD2 ASP A 112 14.484 3.475 2.025 1.00 12.12 O ATOM 0 H ASP A 112 11.164 4.133 -1.857 1.00 60.45 H new ATOM 0 HA ASP A 112 13.545 5.136 -0.511 1.00 4.14 H new ATOM 0 HB2 ASP A 112 12.362 3.114 0.781 1.00 33.23 H new ATOM 0 HB3 ASP A 112 13.117 2.156 -0.477 1.00 33.23 H new ATOM 1825 N ASN A 113 14.992 3.829 -2.273 1.00 53.44 N ATOM 1826 CA ASN A 113 15.719 3.496 -3.493 1.00 4.52 C ATOM 1827 C ASN A 113 15.217 2.183 -4.084 1.00 2.21 C ATOM 1828 O ASN A 113 15.038 1.196 -3.369 1.00 73.11 O ATOM 1829 CB ASN A 113 17.219 3.399 -3.206 1.00 63.02 C ATOM 1830 CG ASN A 113 17.787 4.692 -2.652 1.00 72.41 C ATOM 1831 OD1 ASN A 113 17.145 5.372 -1.851 1.00 23.13 O ATOM 1832 ND2 ASN A 113 18.996 5.038 -3.080 1.00 34.35 N ATOM 0 H ASN A 113 15.585 3.996 -1.460 1.00 53.44 H new ATOM 0 HA ASN A 113 15.545 4.290 -4.219 1.00 4.52 H new ATOM 0 HB2 ASN A 113 17.399 2.592 -2.495 1.00 63.02 H new ATOM 0 HB3 ASN A 113 17.746 3.138 -4.124 1.00 63.02 H new ATOM 0 HD21 ASN A 113 19.429 5.898 -2.744 1.00 34.35 H new ATOM 0 HD22 ASN A 113 19.491 4.443 -3.744 1.00 34.35 H new ATOM 1839 N ARG A 114 14.992 2.178 -5.394 1.00 60.11 N ATOM 1840 CA ARG A 114 14.510 0.986 -6.082 1.00 44.21 C ATOM 1841 C ARG A 114 15.563 0.455 -7.050 1.00 71.42 C ATOM 1842 O ARG A 114 16.620 1.060 -7.226 1.00 24.33 O ATOM 1843 CB ARG A 114 13.216 1.296 -6.838 1.00 23.25 C ATOM 1844 CG ARG A 114 13.245 2.625 -7.574 1.00 72.32 C ATOM 1845 CD ARG A 114 14.151 2.568 -8.794 1.00 22.53 C ATOM 1846 NE ARG A 114 15.539 2.874 -8.459 1.00 12.35 N ATOM 1847 CZ ARG A 114 16.416 3.357 -9.332 1.00 1.22 C ATOM 1848 NH1 ARG A 114 16.050 3.587 -10.585 1.00 43.12 N ATOM 1849 NH2 ARG A 114 17.661 3.611 -8.951 1.00 64.44 N ATOM 0 H ARG A 114 15.136 2.986 -6.000 1.00 60.11 H new ATOM 0 HA ARG A 114 14.310 0.220 -5.333 1.00 44.21 H new ATOM 0 HB2 ARG A 114 13.023 0.498 -7.555 1.00 23.25 H new ATOM 0 HB3 ARG A 114 12.385 1.299 -6.133 1.00 23.25 H new ATOM 0 HG2 ARG A 114 12.235 2.893 -7.882 1.00 72.32 H new ATOM 0 HG3 ARG A 114 13.591 3.408 -6.899 1.00 72.32 H new ATOM 0 HD2 ARG A 114 14.096 1.575 -9.240 1.00 22.53 H new ATOM 0 HD3 ARG A 114 13.795 3.275 -9.544 1.00 22.53 H new ATOM 0 HE ARG A 114 15.852 2.708 -7.503 1.00 12.35 H new ATOM 0 HH11 ARG A 114 15.093 3.393 -10.881 1.00 43.12 H new ATOM 0 HH12 ARG A 114 16.725 3.958 -11.254 1.00 43.12 H new ATOM 0 HH21 ARG A 114 17.945 3.435 -7.987 1.00 64.44 H new ATOM 0 HH22 ARG A 114 18.334 3.982 -9.622 1.00 64.44 H new ATOM 1863 N ASP A 115 15.266 -0.680 -7.675 1.00 15.20 N ATOM 1864 CA ASP A 115 16.185 -1.293 -8.626 1.00 4.31 C ATOM 1865 C ASP A 115 16.001 -0.700 -10.020 1.00 53.12 C ATOM 1866 O ASP A 115 14.883 -0.449 -10.471 1.00 53.32 O ATOM 1867 CB ASP A 115 15.973 -2.807 -8.670 1.00 72.12 C ATOM 1868 CG ASP A 115 16.879 -3.547 -7.705 1.00 52.13 C ATOM 1869 OD1 ASP A 115 18.085 -3.227 -7.660 1.00 73.24 O ATOM 1870 OD2 ASP A 115 16.382 -4.446 -6.995 1.00 73.44 O ATOM 0 H ASP A 115 14.395 -1.194 -7.539 1.00 15.20 H new ATOM 0 HA ASP A 115 17.203 -1.086 -8.294 1.00 4.31 H new ATOM 0 HB2 ASP A 115 14.933 -3.032 -8.433 1.00 72.12 H new ATOM 0 HB3 ASP A 115 16.154 -3.167 -9.683 1.00 72.12 H new ATOM 1875 N PRO A 116 17.122 -0.470 -10.718 1.00 45.31 N ATOM 1876 CA PRO A 116 17.110 0.097 -12.070 1.00 61.20 C ATOM 1877 C PRO A 116 16.551 -0.876 -13.102 1.00 65.42 C ATOM 1878 O PRO A 116 16.522 -0.581 -14.296 1.00 64.35 O ATOM 1879 CB PRO A 116 18.589 0.381 -12.349 1.00 21.50 C ATOM 1880 CG PRO A 116 19.328 -0.575 -11.477 1.00 44.14 C ATOM 1881 CD PRO A 116 18.488 -0.745 -10.242 1.00 43.34 C ATOM 0 HA PRO A 116 16.472 0.979 -12.136 1.00 61.20 H new ATOM 0 HB2 PRO A 116 18.831 0.226 -13.401 1.00 21.50 H new ATOM 0 HB3 PRO A 116 18.846 1.413 -12.112 1.00 21.50 H new ATOM 0 HG2 PRO A 116 19.476 -1.529 -11.982 1.00 44.14 H new ATOM 0 HG3 PRO A 116 20.317 -0.190 -11.226 1.00 44.14 H new ATOM 0 HD2 PRO A 116 18.576 -1.751 -9.832 1.00 43.34 H new ATOM 0 HD3 PRO A 116 18.786 -0.053 -9.455 1.00 43.34 H new ATOM 1889 N ARG A 117 16.107 -2.039 -12.633 1.00 42.23 N ATOM 1890 CA ARG A 117 15.550 -3.056 -13.515 1.00 65.25 C ATOM 1891 C ARG A 117 14.029 -3.098 -13.404 1.00 10.50 C ATOM 1892 O ARG A 117 13.356 -3.753 -14.200 1.00 34.50 O ATOM 1893 CB ARG A 117 16.135 -4.430 -13.180 1.00 11.40 C ATOM 1894 CG ARG A 117 15.815 -4.898 -11.769 1.00 21.11 C ATOM 1895 CD ARG A 117 15.747 -6.416 -11.689 1.00 43.30 C ATOM 1896 NE ARG A 117 14.829 -6.868 -10.648 1.00 32.33 N ATOM 1897 CZ ARG A 117 14.360 -8.108 -10.570 1.00 22.22 C ATOM 1898 NH1 ARG A 117 14.721 -9.015 -11.468 1.00 5.35 N ATOM 1899 NH2 ARG A 117 13.528 -8.444 -9.593 1.00 73.23 N ATOM 0 H ARG A 117 16.123 -2.299 -11.647 1.00 42.23 H new ATOM 0 HA ARG A 117 15.816 -2.796 -14.540 1.00 65.25 H new ATOM 0 HB2 ARG A 117 15.754 -5.162 -13.892 1.00 11.40 H new ATOM 0 HB3 ARG A 117 17.217 -4.396 -13.306 1.00 11.40 H new ATOM 0 HG2 ARG A 117 16.576 -4.530 -11.081 1.00 21.11 H new ATOM 0 HG3 ARG A 117 14.864 -4.472 -11.450 1.00 21.11 H new ATOM 0 HD2 ARG A 117 15.429 -6.816 -12.652 1.00 43.30 H new ATOM 0 HD3 ARG A 117 16.743 -6.814 -11.492 1.00 43.30 H new ATOM 0 HE ARG A 117 14.531 -6.195 -9.942 1.00 32.33 H new ATOM 0 HH11 ARG A 117 15.360 -8.761 -12.221 1.00 5.35 H new ATOM 0 HH12 ARG A 117 14.359 -9.967 -11.406 1.00 5.35 H new ATOM 0 HH21 ARG A 117 13.248 -7.750 -8.900 1.00 73.23 H new ATOM 0 HH22 ARG A 117 13.169 -9.397 -9.534 1.00 73.23 H new ATOM 1913 N ASP A 118 13.495 -2.395 -12.412 1.00 34.13 N ATOM 1914 CA ASP A 118 12.052 -2.351 -12.196 1.00 41.41 C ATOM 1915 C ASP A 118 11.513 -0.940 -12.415 1.00 30.44 C ATOM 1916 O ASP A 118 10.518 -0.748 -13.113 1.00 50.53 O ATOM 1917 CB ASP A 118 11.712 -2.827 -10.783 1.00 24.42 C ATOM 1918 CG ASP A 118 11.470 -4.323 -10.719 1.00 12.42 C ATOM 1919 OD1 ASP A 118 12.456 -5.077 -10.585 1.00 34.22 O ATOM 1920 OD2 ASP A 118 10.295 -4.738 -10.804 1.00 21.12 O ATOM 0 H ASP A 118 14.038 -1.848 -11.744 1.00 34.13 H new ATOM 0 HA ASP A 118 11.580 -3.017 -12.918 1.00 41.41 H new ATOM 0 HB2 ASP A 118 12.527 -2.564 -10.108 1.00 24.42 H new ATOM 0 HB3 ASP A 118 10.824 -2.303 -10.430 1.00 24.42 H new ATOM 1925 N SER A 119 12.176 0.041 -11.811 1.00 72.44 N ATOM 1926 CA SER A 119 11.760 1.433 -11.936 1.00 50.44 C ATOM 1927 C SER A 119 12.907 2.300 -12.446 1.00 65.41 C ATOM 1928 O SER A 119 13.554 3.025 -11.691 1.00 4.34 O ATOM 1929 CB SER A 119 11.266 1.962 -10.589 1.00 3.53 C ATOM 1930 OG SER A 119 10.304 2.989 -10.766 1.00 25.25 O ATOM 0 H SER A 119 13.003 -0.102 -11.231 1.00 72.44 H new ATOM 0 HA SER A 119 10.945 1.479 -12.658 1.00 50.44 H new ATOM 0 HB2 SER A 119 10.830 1.146 -10.012 1.00 3.53 H new ATOM 0 HB3 SER A 119 12.109 2.344 -10.013 1.00 3.53 H new ATOM 0 HG SER A 119 9.676 2.983 -10.013 1.00 25.25 H new ATOM 1936 N PRO A 120 13.168 2.223 -13.760 1.00 72.11 N ATOM 1937 CA PRO A 120 14.237 2.993 -14.401 1.00 44.42 C ATOM 1938 C PRO A 120 13.928 4.486 -14.449 1.00 62.44 C ATOM 1939 O PRO A 120 14.799 5.317 -14.196 1.00 4.54 O ATOM 1940 CB PRO A 120 14.293 2.412 -15.816 1.00 74.20 C ATOM 1941 CG PRO A 120 12.927 1.865 -16.056 1.00 3.31 C ATOM 1942 CD PRO A 120 12.437 1.379 -14.720 1.00 62.52 C ATOM 0 HA PRO A 120 15.178 2.916 -13.856 1.00 44.42 H new ATOM 0 HB2 PRO A 120 14.547 3.178 -16.549 1.00 74.20 H new ATOM 0 HB3 PRO A 120 15.051 1.633 -15.894 1.00 74.20 H new ATOM 0 HG2 PRO A 120 12.265 2.631 -16.460 1.00 3.31 H new ATOM 0 HG3 PRO A 120 12.954 1.052 -16.782 1.00 3.31 H new ATOM 0 HD2 PRO A 120 11.358 1.499 -14.620 1.00 62.52 H new ATOM 0 HD3 PRO A 120 12.655 0.321 -14.573 1.00 62.52 H new ATOM 1950 N ARG A 121 12.684 4.817 -14.777 1.00 35.30 N ATOM 1951 CA ARG A 121 12.261 6.209 -14.860 1.00 1.20 C ATOM 1952 C ARG A 121 12.175 6.835 -13.471 1.00 35.23 C ATOM 1953 O ARG A 121 12.815 7.849 -13.194 1.00 12.44 O ATOM 1954 CB ARG A 121 10.905 6.312 -15.562 1.00 3.22 C ATOM 1955 CG ARG A 121 9.818 5.471 -14.913 1.00 54.15 C ATOM 1956 CD ARG A 121 8.779 5.024 -15.930 1.00 20.13 C ATOM 1957 NE ARG A 121 7.763 6.048 -16.161 1.00 65.31 N ATOM 1958 CZ ARG A 121 7.046 6.133 -17.276 1.00 24.43 C ATOM 1959 NH1 ARG A 121 7.231 5.259 -18.255 1.00 64.33 N ATOM 1960 NH2 ARG A 121 6.140 7.093 -17.412 1.00 3.31 N ATOM 0 H ARG A 121 11.951 4.140 -14.990 1.00 35.30 H new ATOM 0 HA ARG A 121 13.005 6.754 -15.440 1.00 1.20 H new ATOM 0 HB2 ARG A 121 10.589 7.355 -15.572 1.00 3.22 H new ATOM 0 HB3 ARG A 121 11.019 6.004 -16.601 1.00 3.22 H new ATOM 0 HG2 ARG A 121 10.266 4.597 -14.440 1.00 54.15 H new ATOM 0 HG3 ARG A 121 9.333 6.046 -14.124 1.00 54.15 H new ATOM 0 HD2 ARG A 121 9.273 4.785 -16.872 1.00 20.13 H new ATOM 0 HD3 ARG A 121 8.299 4.110 -15.580 1.00 20.13 H new ATOM 0 HE ARG A 121 7.595 6.735 -15.426 1.00 65.31 H new ATOM 0 HH11 ARG A 121 7.925 4.519 -18.153 1.00 64.33 H new ATOM 0 HH12 ARG A 121 6.679 5.327 -19.110 1.00 64.33 H new ATOM 0 HH21 ARG A 121 5.994 7.766 -16.660 1.00 3.31 H new ATOM 0 HH22 ARG A 121 5.590 7.157 -18.269 1.00 3.31 H new ATOM 1974 N TYR A 122 11.378 6.223 -12.601 1.00 10.04 N ATOM 1975 CA TYR A 122 11.205 6.721 -11.241 1.00 42.21 C ATOM 1976 C TYR A 122 12.383 6.318 -10.360 1.00 31.12 C ATOM 1977 O TYR A 122 12.736 5.143 -10.250 1.00 2.44 O ATOM 1978 CB TYR A 122 9.901 6.190 -10.644 1.00 31.13 C ATOM 1979 CG TYR A 122 8.741 6.201 -11.613 1.00 55.34 C ATOM 1980 CD1 TYR A 122 8.031 7.370 -11.864 1.00 41.22 C ATOM 1981 CD2 TYR A 122 8.355 5.046 -12.279 1.00 65.35 C ATOM 1982 CE1 TYR A 122 6.970 7.385 -12.748 1.00 63.23 C ATOM 1983 CE2 TYR A 122 7.297 5.052 -13.168 1.00 10.25 C ATOM 1984 CZ TYR A 122 6.607 6.223 -13.397 1.00 52.01 C ATOM 1985 OH TYR A 122 5.552 6.235 -14.280 1.00 74.23 O ATOM 0 H TYR A 122 10.842 5.382 -12.813 1.00 10.04 H new ATOM 0 HA TYR A 122 11.161 7.809 -11.282 1.00 42.21 H new ATOM 0 HB2 TYR A 122 10.061 5.170 -10.294 1.00 31.13 H new ATOM 0 HB3 TYR A 122 9.640 6.790 -9.772 1.00 31.13 H new ATOM 0 HD1 TYR A 122 8.314 8.282 -11.359 1.00 41.22 H new ATOM 0 HD2 TYR A 122 8.891 4.126 -12.099 1.00 65.35 H new ATOM 0 HE1 TYR A 122 6.428 8.301 -12.930 1.00 63.23 H new ATOM 0 HE2 TYR A 122 7.013 4.145 -13.680 1.00 10.25 H new ATOM 0 HH TYR A 122 5.427 5.337 -14.652 1.00 74.23 H new ATOM 1995 N PRO A 123 13.007 7.315 -9.716 1.00 42.32 N ATOM 1996 CA PRO A 123 14.155 7.091 -8.831 1.00 73.23 C ATOM 1997 C PRO A 123 13.762 6.374 -7.543 1.00 64.02 C ATOM 1998 O PRO A 123 14.415 5.416 -7.131 1.00 4.41 O ATOM 1999 CB PRO A 123 14.649 8.507 -8.525 1.00 53.14 C ATOM 2000 CG PRO A 123 13.450 9.374 -8.704 1.00 63.21 C ATOM 2001 CD PRO A 123 12.641 8.739 -9.801 1.00 34.42 C ATOM 0 HA PRO A 123 14.908 6.453 -9.294 1.00 73.23 H new ATOM 0 HB2 PRO A 123 15.041 8.579 -7.511 1.00 53.14 H new ATOM 0 HB3 PRO A 123 15.454 8.800 -9.200 1.00 53.14 H new ATOM 0 HG2 PRO A 123 12.874 9.438 -7.781 1.00 63.21 H new ATOM 0 HG3 PRO A 123 13.740 10.390 -8.971 1.00 63.21 H new ATOM 0 HD2 PRO A 123 11.572 8.889 -9.650 1.00 34.42 H new ATOM 0 HD3 PRO A 123 12.887 9.159 -10.776 1.00 34.42 H new ATOM 2009 N VAL A 124 12.690 6.843 -6.913 1.00 52.01 N ATOM 2010 CA VAL A 124 12.210 6.246 -5.673 1.00 32.43 C ATOM 2011 C VAL A 124 10.835 5.616 -5.863 1.00 74.44 C ATOM 2012 O VAL A 124 10.128 5.920 -6.825 1.00 11.32 O ATOM 2013 CB VAL A 124 12.133 7.287 -4.541 1.00 61.04 C ATOM 2014 CG1 VAL A 124 10.813 8.042 -4.598 1.00 2.32 C ATOM 2015 CG2 VAL A 124 12.315 6.617 -3.188 1.00 2.34 C ATOM 0 H VAL A 124 12.137 7.635 -7.241 1.00 52.01 H new ATOM 0 HA VAL A 124 12.926 5.472 -5.397 1.00 32.43 H new ATOM 0 HB VAL A 124 12.941 8.006 -4.677 1.00 61.04 H new ATOM 0 HG11 VAL A 124 10.777 8.773 -3.790 1.00 2.32 H new ATOM 0 HG12 VAL A 124 10.728 8.555 -5.556 1.00 2.32 H new ATOM 0 HG13 VAL A 124 9.987 7.339 -4.488 1.00 2.32 H new ATOM 0 HG21 VAL A 124 12.258 7.368 -2.400 1.00 2.34 H new ATOM 0 HG22 VAL A 124 11.530 5.875 -3.041 1.00 2.34 H new ATOM 0 HG23 VAL A 124 13.288 6.127 -3.153 1.00 2.34 H new ATOM 2025 N VAL A 125 10.459 4.737 -4.939 1.00 63.34 N ATOM 2026 CA VAL A 125 9.167 4.064 -5.004 1.00 64.00 C ATOM 2027 C VAL A 125 8.690 3.656 -3.615 1.00 53.22 C ATOM 2028 O VAL A 125 9.483 3.424 -2.703 1.00 0.12 O ATOM 2029 CB VAL A 125 9.230 2.813 -5.901 1.00 51.11 C ATOM 2030 CG1 VAL A 125 9.633 3.192 -7.318 1.00 4.11 C ATOM 2031 CG2 VAL A 125 10.192 1.789 -5.319 1.00 74.13 C ATOM 0 H VAL A 125 11.031 4.474 -4.136 1.00 63.34 H new ATOM 0 HA VAL A 125 8.461 4.775 -5.434 1.00 64.00 H new ATOM 0 HB VAL A 125 8.238 2.364 -5.940 1.00 51.11 H new ATOM 0 HG11 VAL A 125 9.672 2.296 -7.937 1.00 4.11 H new ATOM 0 HG12 VAL A 125 8.901 3.887 -7.731 1.00 4.11 H new ATOM 0 HG13 VAL A 125 10.615 3.666 -7.303 1.00 4.11 H new ATOM 0 HG21 VAL A 125 10.224 0.912 -5.965 1.00 74.13 H new ATOM 0 HG22 VAL A 125 11.189 2.225 -5.249 1.00 74.13 H new ATOM 0 HG23 VAL A 125 9.854 1.495 -4.325 1.00 74.13 H new ATOM 2041 N PRO A 126 7.362 3.568 -3.448 1.00 73.34 N ATOM 2042 CA PRO A 126 6.747 3.187 -2.172 1.00 44.24 C ATOM 2043 C PRO A 126 6.988 1.721 -1.829 1.00 34.35 C ATOM 2044 O PRO A 126 6.962 0.855 -2.703 1.00 40.15 O ATOM 2045 CB PRO A 126 5.257 3.444 -2.406 1.00 53.01 C ATOM 2046 CG PRO A 126 5.079 3.330 -3.881 1.00 30.13 C ATOM 2047 CD PRO A 126 6.358 3.831 -4.492 1.00 55.15 C ATOM 0 HA PRO A 126 7.163 3.747 -1.335 1.00 44.24 H new ATOM 0 HB2 PRO A 126 4.642 2.717 -1.876 1.00 53.01 H new ATOM 0 HB3 PRO A 126 4.964 4.431 -2.047 1.00 53.01 H new ATOM 0 HG2 PRO A 126 4.886 2.298 -4.172 1.00 30.13 H new ATOM 0 HG3 PRO A 126 4.228 3.921 -4.218 1.00 30.13 H new ATOM 0 HD2 PRO A 126 6.594 3.306 -5.417 1.00 55.15 H new ATOM 0 HD3 PRO A 126 6.299 4.892 -4.734 1.00 55.15 H new ATOM 2055 N VAL A 127 7.222 1.449 -0.548 1.00 34.40 N ATOM 2056 CA VAL A 127 7.464 0.087 -0.088 1.00 61.04 C ATOM 2057 C VAL A 127 6.648 -0.225 1.160 1.00 73.10 C ATOM 2058 O VAL A 127 6.703 -1.335 1.690 1.00 24.42 O ATOM 2059 CB VAL A 127 8.957 -0.144 0.217 1.00 31.50 C ATOM 2060 CG1 VAL A 127 9.748 -0.299 -1.074 1.00 33.53 C ATOM 2061 CG2 VAL A 127 9.511 0.995 1.058 1.00 72.05 C ATOM 0 H VAL A 127 7.249 2.154 0.189 1.00 34.40 H new ATOM 0 HA VAL A 127 7.157 -0.579 -0.894 1.00 61.04 H new ATOM 0 HB VAL A 127 9.055 -1.067 0.788 1.00 31.50 H new ATOM 0 HG11 VAL A 127 10.800 -0.461 -0.839 1.00 33.53 H new ATOM 0 HG12 VAL A 127 9.366 -1.152 -1.635 1.00 33.53 H new ATOM 0 HG13 VAL A 127 9.646 0.605 -1.674 1.00 33.53 H new ATOM 0 HG21 VAL A 127 10.566 0.815 1.264 1.00 72.05 H new ATOM 0 HG22 VAL A 127 9.402 1.934 0.516 1.00 72.05 H new ATOM 0 HG23 VAL A 127 8.963 1.053 1.998 1.00 72.05 H new ATOM 2071 N HIS A 128 5.888 0.761 1.625 1.00 1.24 N ATOM 2072 CA HIS A 128 5.057 0.592 2.813 1.00 63.22 C ATOM 2073 C HIS A 128 4.000 1.688 2.897 1.00 33.10 C ATOM 2074 O HIS A 128 4.214 2.809 2.434 1.00 65.34 O ATOM 2075 CB HIS A 128 5.923 0.604 4.073 1.00 42.40 C ATOM 2076 CG HIS A 128 5.164 0.949 5.317 1.00 5.13 C ATOM 2077 ND1 HIS A 128 4.485 2.068 5.659 1.00 13.15 N flip ATOM 2078 CD2 HIS A 128 5.045 0.088 6.388 1.00 12.20 C flip ATOM 2079 CE1 HIS A 128 3.972 1.866 6.917 1.00 3.21 C flip ATOM 2080 NE2 HIS A 128 4.323 0.664 7.334 1.00 74.32 N flip ATOM 0 H HIS A 128 5.830 1.685 1.198 1.00 1.24 H new ATOM 0 HA HIS A 128 4.551 -0.371 2.738 1.00 63.22 H new ATOM 0 HB2 HIS A 128 6.383 -0.376 4.198 1.00 42.40 H new ATOM 0 HB3 HIS A 128 6.733 1.321 3.941 1.00 42.40 H new ATOM 0 HD1 HIS A 128 4.375 2.906 5.088 1.00 13.15 H new ATOM 0 HD2 HIS A 128 5.474 -0.901 6.445 1.00 12.20 H new ATOM 0 HE1 HIS A 128 3.378 2.575 7.474 1.00 3.21 H new ATOM 2089 N LEU A 129 2.857 1.357 3.490 1.00 4.41 N ATOM 2090 CA LEU A 129 1.765 2.314 3.635 1.00 5.31 C ATOM 2091 C LEU A 129 1.392 2.496 5.103 1.00 73.30 C ATOM 2092 O LEU A 129 0.817 1.601 5.722 1.00 23.52 O ATOM 2093 CB LEU A 129 0.545 1.848 2.840 1.00 31.21 C ATOM 2094 CG LEU A 129 -0.344 2.952 2.266 1.00 62.14 C ATOM 2095 CD1 LEU A 129 0.506 4.056 1.653 1.00 34.53 C ATOM 2096 CD2 LEU A 129 -1.305 2.380 1.234 1.00 53.45 C ATOM 0 H LEU A 129 2.663 0.434 3.878 1.00 4.41 H new ATOM 0 HA LEU A 129 2.101 3.274 3.244 1.00 5.31 H new ATOM 0 HB2 LEU A 129 0.890 1.222 2.017 1.00 31.21 H new ATOM 0 HB3 LEU A 129 -0.065 1.217 3.486 1.00 31.21 H new ATOM 0 HG LEU A 129 -0.930 3.381 3.079 1.00 62.14 H new ATOM 0 HD11 LEU A 129 -0.143 4.833 1.249 1.00 34.53 H new ATOM 0 HD12 LEU A 129 1.153 4.485 2.418 1.00 34.53 H new ATOM 0 HD13 LEU A 129 1.118 3.642 0.852 1.00 34.53 H new ATOM 0 HD21 LEU A 129 -1.930 3.180 0.836 1.00 53.45 H new ATOM 0 HD22 LEU A 129 -0.738 1.924 0.422 1.00 53.45 H new ATOM 0 HD23 LEU A 129 -1.936 1.626 1.704 1.00 53.45 H new ATOM 2108 N ASP A 130 1.721 3.660 5.652 1.00 61.24 N ATOM 2109 CA ASP A 130 1.417 3.961 7.046 1.00 61.25 C ATOM 2110 C ASP A 130 -0.089 4.079 7.260 1.00 34.12 C ATOM 2111 O ASP A 130 -0.671 3.359 8.074 1.00 44.25 O ATOM 2112 CB ASP A 130 2.108 5.256 7.472 1.00 4.41 C ATOM 2113 CG ASP A 130 3.474 5.010 8.083 1.00 65.30 C ATOM 2114 OD1 ASP A 130 3.623 4.011 8.817 1.00 5.34 O ATOM 2115 OD2 ASP A 130 4.393 5.816 7.827 1.00 65.42 O ATOM 0 H ASP A 130 2.198 4.411 5.153 1.00 61.24 H new ATOM 0 HA ASP A 130 1.790 3.141 7.659 1.00 61.25 H new ATOM 0 HB2 ASP A 130 2.213 5.910 6.606 1.00 4.41 H new ATOM 0 HB3 ASP A 130 1.480 5.779 8.193 1.00 4.41 H new ATOM 2120 N THR A 131 -0.717 4.992 6.525 1.00 24.34 N ATOM 2121 CA THR A 131 -2.154 5.206 6.636 1.00 13.03 C ATOM 2122 C THR A 131 -2.657 6.141 5.542 1.00 61.31 C ATOM 2123 O THR A 131 -1.898 6.550 4.663 1.00 1.34 O ATOM 2124 CB THR A 131 -2.530 5.793 8.010 1.00 43.20 C ATOM 2125 OG1 THR A 131 -3.953 5.808 8.164 1.00 74.03 O ATOM 2126 CG2 THR A 131 -1.983 7.205 8.163 1.00 74.31 C ATOM 0 H THR A 131 -0.252 5.595 5.846 1.00 24.34 H new ATOM 0 HA THR A 131 -2.628 4.231 6.523 1.00 13.03 H new ATOM 0 HB THR A 131 -2.089 5.163 8.783 1.00 43.20 H new ATOM 0 HG1 THR A 131 -4.183 6.181 9.041 1.00 74.03 H new ATOM 0 HG21 THR A 131 -2.261 7.599 9.141 1.00 74.31 H new ATOM 0 HG22 THR A 131 -0.897 7.186 8.075 1.00 74.31 H new ATOM 0 HG23 THR A 131 -2.399 7.843 7.383 1.00 74.31 H new ATOM 2134 N THR A 132 -3.942 6.475 5.601 1.00 61.34 N ATOM 2135 CA THR A 132 -4.547 7.361 4.614 1.00 61.03 C ATOM 2136 C THR A 132 -5.271 8.521 5.288 1.00 13.12 C ATOM 2137 O THR A 132 -6.284 8.326 5.961 1.00 3.20 O ATOM 2138 CB THR A 132 -5.540 6.604 3.713 1.00 12.42 C ATOM 2139 OG1 THR A 132 -6.344 5.722 4.503 1.00 15.13 O ATOM 2140 CG2 THR A 132 -4.804 5.808 2.646 1.00 52.53 C ATOM 0 H THR A 132 -4.584 6.145 6.322 1.00 61.34 H new ATOM 0 HA THR A 132 -3.736 7.751 3.999 1.00 61.03 H new ATOM 0 HB THR A 132 -6.180 7.336 3.221 1.00 12.42 H new ATOM 0 HG1 THR A 132 -6.671 6.198 5.295 1.00 15.13 H new ATOM 0 HG21 THR A 132 -5.526 5.282 2.022 1.00 52.53 H new ATOM 0 HG22 THR A 132 -4.216 6.486 2.028 1.00 52.53 H new ATOM 0 HG23 THR A 132 -4.142 5.085 3.123 1.00 52.53 H new ATOM 2148 N ILE A 133 -4.748 9.728 5.101 1.00 42.43 N ATOM 2149 CA ILE A 133 -5.346 10.919 5.690 1.00 13.33 C ATOM 2150 C ILE A 133 -5.424 12.055 4.675 1.00 1.42 C ATOM 2151 O ILE A 133 -5.977 13.117 4.957 1.00 11.41 O ATOM 2152 CB ILE A 133 -4.554 11.399 6.920 1.00 10.21 C ATOM 2153 CG1 ILE A 133 -4.177 10.210 7.806 1.00 12.45 C ATOM 2154 CG2 ILE A 133 -5.363 12.418 7.708 1.00 51.15 C ATOM 2155 CD1 ILE A 133 -2.928 10.440 8.628 1.00 73.24 C ATOM 0 H ILE A 133 -3.911 9.907 4.546 1.00 42.43 H new ATOM 0 HA ILE A 133 -6.353 10.643 6.002 1.00 13.33 H new ATOM 0 HB ILE A 133 -3.637 11.879 6.578 1.00 10.21 H new ATOM 0 HG12 ILE A 133 -5.008 9.989 8.476 1.00 12.45 H new ATOM 0 HG13 ILE A 133 -4.032 9.331 7.178 1.00 12.45 H new ATOM 0 HG21 ILE A 133 -4.789 12.747 8.574 1.00 51.15 H new ATOM 0 HG22 ILE A 133 -5.586 13.276 7.073 1.00 51.15 H new ATOM 0 HG23 ILE A 133 -6.295 11.963 8.042 1.00 51.15 H new ATOM 0 HD11 ILE A 133 -2.722 9.556 9.231 1.00 73.24 H new ATOM 0 HD12 ILE A 133 -2.085 10.631 7.964 1.00 73.24 H new ATOM 0 HD13 ILE A 133 -3.076 11.299 9.282 1.00 73.24 H new TER 2167 ILE A 133